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 Set 1.1: A 30 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.232) USER MOD Set 1.2: A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.064 X(o=-0.064,f=-0.51) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.095 K(o=-0.095,f=-0.64) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -1.21 X(o=-1.2,f=-1.1) USER MOD Single : A 57 HIS : no HD1:sc= -0.552 X(o=-0.55,f=-0.06) 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 : amide:sc= -2.65! K(o=-2.7!,f=-0.52) USER MOD Single : A 77 GLN : amide:sc= -0.133 X(o=-0.13,f=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -170:sc= 0 (180deg=-0.0492) USER MOD Single : A 86 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0163) 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= -4.26 K(o=-4.3,f=-2.7!) 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= -0.306 X(o=-0.31,f=-0.068) USER MOD ----------------------------------------------------------------- ATOM 280 N LYS A 23 -6.077 31.848 17.586 1.00 14.34 N ATOM 281 CA LYS A 23 -7.263 31.168 17.080 1.00 51.42 C ATOM 282 C LYS A 23 -7.122 30.859 15.593 1.00 2.24 C ATOM 283 O LYS A 23 -6.955 29.704 15.202 1.00 44.31 O ATOM 284 CB LYS A 23 -8.508 32.026 17.317 1.00 50.12 C ATOM 285 CG LYS A 23 -8.249 33.518 17.202 1.00 30.42 C ATOM 286 CD LYS A 23 -9.405 34.234 16.524 1.00 51.22 C ATOM 287 CE LYS A 23 -10.455 34.675 17.533 1.00 54.14 C ATOM 288 NZ LYS A 23 -11.069 35.980 17.161 1.00 13.11 N ATOM 0 HA LYS A 23 -7.369 30.227 17.620 1.00 51.42 H new ATOM 0 HB2 LYS A 23 -9.277 31.743 16.598 1.00 50.12 H new ATOM 0 HB3 LYS A 23 -8.904 31.810 18.309 1.00 50.12 H new ATOM 0 HG2 LYS A 23 -8.092 33.938 18.195 1.00 30.42 H new ATOM 0 HG3 LYS A 23 -7.333 33.687 16.636 1.00 30.42 H new ATOM 0 HD2 LYS A 23 -9.030 35.103 15.984 1.00 51.22 H new ATOM 0 HD3 LYS A 23 -9.862 33.574 15.787 1.00 51.22 H new ATOM 0 HE2 LYS A 23 -11.233 33.915 17.603 1.00 54.14 H new ATOM 0 HE3 LYS A 23 -9.999 34.756 18.520 1.00 54.14 H new ATOM 0 HZ1 LYS A 23 -11.779 36.245 17.873 1.00 13.11 H new ATOM 0 HZ2 LYS A 23 -10.331 36.711 17.119 1.00 13.11 H new ATOM 0 HZ3 LYS A 23 -11.527 35.896 16.231 1.00 13.11 H new ATOM 298 N SER A 24 -7.187 31.900 14.768 1.00 41.32 N ATOM 299 CA SER A 24 -7.069 31.739 13.324 1.00 3.12 C ATOM 300 C SER A 24 -5.942 30.770 12.976 1.00 72.54 C ATOM 301 O SER A 24 -5.983 30.099 11.945 1.00 54.41 O ATOM 302 CB SER A 24 -6.817 33.093 12.658 1.00 11.53 C ATOM 303 OG SER A 24 -7.700 33.300 11.571 1.00 74.14 O ATOM 0 H SER A 24 -7.321 32.863 15.075 1.00 41.32 H new ATOM 0 HA SER A 24 -8.007 31.328 12.951 1.00 3.12 H new ATOM 0 HB2 SER A 24 -6.944 33.891 13.390 1.00 11.53 H new ATOM 0 HB3 SER A 24 -5.786 33.143 12.307 1.00 11.53 H new ATOM 0 HG SER A 24 -7.519 34.173 11.164 1.00 74.14 H new ATOM 308 N TYR A 25 -4.938 30.705 13.843 1.00 52.24 N ATOM 309 CA TYR A 25 -3.799 29.821 13.627 1.00 43.02 C ATOM 310 C TYR A 25 -4.079 28.426 14.179 1.00 73.20 C ATOM 311 O TYR A 25 -3.998 27.433 13.457 1.00 1.20 O ATOM 312 CB TYR A 25 -2.545 30.400 14.285 1.00 42.14 C ATOM 313 CG TYR A 25 -2.138 31.746 13.732 1.00 25.10 C ATOM 314 CD1 TYR A 25 -2.980 32.846 13.837 1.00 71.02 C ATOM 315 CD2 TYR A 25 -0.910 31.918 13.104 1.00 62.42 C ATOM 316 CE1 TYR A 25 -2.612 34.079 13.332 1.00 40.22 C ATOM 317 CE2 TYR A 25 -0.534 33.148 12.597 1.00 53.31 C ATOM 318 CZ TYR A 25 -1.388 34.224 12.714 1.00 73.34 C ATOM 319 OH TYR A 25 -1.017 35.449 12.209 1.00 71.21 O ATOM 0 H TYR A 25 -4.890 31.254 14.702 1.00 52.24 H new ATOM 0 HA TYR A 25 -3.633 29.740 12.553 1.00 43.02 H new ATOM 0 HB2 TYR A 25 -2.718 30.494 15.357 1.00 42.14 H new ATOM 0 HB3 TYR A 25 -1.720 29.699 14.156 1.00 42.14 H new ATOM 0 HD1 TYR A 25 -3.939 32.736 14.322 1.00 71.02 H new ATOM 0 HD2 TYR A 25 -0.239 31.077 13.011 1.00 62.42 H new ATOM 0 HE1 TYR A 25 -3.279 34.924 13.421 1.00 40.22 H new ATOM 0 HE2 TYR A 25 0.424 33.265 12.112 1.00 53.31 H new ATOM 0 HH TYR A 25 -0.126 35.381 11.807 1.00 71.21 H new ATOM 328 N ALA A 26 -4.410 28.362 15.465 1.00 54.32 N ATOM 329 CA ALA A 26 -4.706 27.091 16.114 1.00 50.40 C ATOM 330 C ALA A 26 -6.052 26.540 15.657 1.00 21.40 C ATOM 331 O ALA A 26 -6.161 25.373 15.281 1.00 2.13 O ATOM 332 CB ALA A 26 -4.685 27.253 17.627 1.00 31.42 C ATOM 0 H ALA A 26 -4.480 29.175 16.077 1.00 54.32 H new ATOM 0 HA ALA A 26 -3.935 26.377 15.826 1.00 50.40 H new ATOM 0 HB1 ALA A 26 -4.908 26.296 18.099 1.00 31.42 H new ATOM 0 HB2 ALA A 26 -3.699 27.592 17.943 1.00 31.42 H new ATOM 0 HB3 ALA A 26 -5.434 27.987 17.925 1.00 31.42 H new ATOM 338 N GLU A 27 -7.075 27.388 15.693 1.00 41.35 N ATOM 339 CA GLU A 27 -8.416 26.985 15.284 1.00 53.12 C ATOM 340 C GLU A 27 -8.382 26.274 13.934 1.00 21.22 C ATOM 341 O GLU A 27 -8.823 25.132 13.810 1.00 44.34 O ATOM 342 CB GLU A 27 -9.339 28.203 15.209 1.00 54.01 C ATOM 343 CG GLU A 27 -10.801 27.846 14.995 1.00 0.51 C ATOM 344 CD GLU A 27 -11.654 28.132 16.216 1.00 21.51 C ATOM 345 OE1 GLU A 27 -11.278 27.687 17.320 1.00 0.10 O ATOM 346 OE2 GLU A 27 -12.699 28.800 16.066 1.00 22.33 O ATOM 0 H GLU A 27 -7.001 28.358 16.001 1.00 41.35 H new ATOM 0 HA GLU A 27 -8.803 26.292 16.031 1.00 53.12 H new ATOM 0 HB2 GLU A 27 -9.245 28.777 16.131 1.00 54.01 H new ATOM 0 HB3 GLU A 27 -9.009 28.849 14.396 1.00 54.01 H new ATOM 0 HG2 GLU A 27 -11.188 28.409 14.145 1.00 0.51 H new ATOM 0 HG3 GLU A 27 -10.880 26.789 14.740 1.00 0.51 H new ATOM 351 N GLN A 28 -7.854 26.959 12.925 1.00 21.42 N ATOM 352 CA GLN A 28 -7.763 26.395 11.584 1.00 33.51 C ATOM 353 C GLN A 28 -7.216 24.973 11.627 1.00 33.00 C ATOM 354 O GLN A 28 -7.713 24.083 10.938 1.00 64.24 O ATOM 355 CB GLN A 28 -6.874 27.270 10.698 1.00 33.02 C ATOM 356 CG GLN A 28 -7.642 28.046 9.641 1.00 34.21 C ATOM 357 CD GLN A 28 -6.911 28.107 8.315 1.00 21.15 C ATOM 358 OE1 GLN A 28 -6.382 27.102 7.838 1.00 22.51 O ATOM 359 NE2 GLN A 28 -6.877 29.289 7.710 1.00 43.34 N ATOM 0 H GLN A 28 -7.483 27.905 13.011 1.00 21.42 H new ATOM 0 HA GLN A 28 -8.767 26.365 11.162 1.00 33.51 H new ATOM 0 HB2 GLN A 28 -6.328 27.973 11.327 1.00 33.02 H new ATOM 0 HB3 GLN A 28 -6.133 26.640 10.207 1.00 33.02 H new ATOM 0 HG2 GLN A 28 -8.617 27.582 9.493 1.00 34.21 H new ATOM 0 HG3 GLN A 28 -7.822 29.060 9.999 1.00 34.21 H new ATOM 0 HE21 GLN A 28 -7.329 30.096 8.141 1.00 43.34 H new ATOM 0 HE22 GLN A 28 -6.399 29.390 6.814 1.00 43.34 H new ATOM 366 N GLY A 29 -6.186 24.765 12.443 1.00 61.14 N ATOM 367 CA GLY A 29 -5.587 23.448 12.561 1.00 71.31 C ATOM 368 C GLY A 29 -6.457 22.484 13.344 1.00 31.44 C ATOM 369 O GLY A 29 -6.471 21.284 13.068 1.00 32.33 O ATOM 0 H GLY A 29 -5.756 25.485 13.024 1.00 61.14 H new ATOM 0 HA2 GLY A 29 -5.407 23.043 11.565 1.00 71.31 H new ATOM 0 HA3 GLY A 29 -4.617 23.536 13.050 1.00 71.31 H new ATOM 372 N LYS A 30 -7.184 23.008 14.324 1.00 3.41 N ATOM 373 CA LYS A 30 -8.060 22.186 15.150 1.00 61.01 C ATOM 374 C LYS A 30 -9.280 21.725 14.359 1.00 32.21 C ATOM 375 O LYS A 30 -9.623 20.544 14.364 1.00 44.44 O ATOM 376 CB LYS A 30 -8.509 22.967 16.388 1.00 21.33 C ATOM 377 CG LYS A 30 -9.967 22.748 16.750 1.00 64.42 C ATOM 378 CD LYS A 30 -10.339 23.475 18.032 1.00 11.52 C ATOM 379 CE LYS A 30 -11.839 23.441 18.277 1.00 53.12 C ATOM 380 NZ LYS A 30 -12.241 22.263 19.095 1.00 31.15 N ATOM 0 H LYS A 30 -7.184 23.999 14.566 1.00 3.41 H new ATOM 0 HA LYS A 30 -7.499 21.306 15.465 1.00 61.01 H new ATOM 0 HB2 LYS A 30 -7.886 22.679 17.235 1.00 21.33 H new ATOM 0 HB3 LYS A 30 -8.342 24.030 16.217 1.00 21.33 H new ATOM 0 HG2 LYS A 30 -10.601 23.097 15.935 1.00 64.42 H new ATOM 0 HG3 LYS A 30 -10.157 21.681 16.867 1.00 64.42 H new ATOM 0 HD2 LYS A 30 -9.821 23.017 18.875 1.00 11.52 H new ATOM 0 HD3 LYS A 30 -10.002 24.510 17.975 1.00 11.52 H new ATOM 0 HE2 LYS A 30 -12.145 24.356 18.784 1.00 53.12 H new ATOM 0 HE3 LYS A 30 -12.363 23.415 17.321 1.00 53.12 H new ATOM 0 HZ1 LYS A 30 -13.229 22.016 18.886 1.00 31.15 H new ATOM 0 HZ2 LYS A 30 -11.627 21.456 18.866 1.00 31.15 H new ATOM 0 HZ3 LYS A 30 -12.148 22.494 20.105 1.00 31.15 H new ATOM 390 N GLU A 31 -9.929 22.665 13.677 1.00 1.54 N ATOM 391 CA GLU A 31 -11.109 22.352 12.881 1.00 21.42 C ATOM 392 C GLU A 31 -10.866 21.128 12.004 1.00 15.55 C ATOM 393 O GLU A 31 -11.799 20.407 11.652 1.00 44.41 O ATOM 394 CB GLU A 31 -11.493 23.550 12.008 1.00 53.55 C ATOM 395 CG GLU A 31 -11.882 24.784 12.805 1.00 35.11 C ATOM 396 CD GLU A 31 -13.371 24.855 13.079 1.00 35.20 C ATOM 397 OE1 GLU A 31 -14.054 23.821 12.924 1.00 11.30 O ATOM 398 OE2 GLU A 31 -13.854 25.946 13.449 1.00 53.25 O ATOM 0 H GLU A 31 -9.657 23.648 13.660 1.00 1.54 H new ATOM 0 HA GLU A 31 -11.929 22.130 13.564 1.00 21.42 H new ATOM 0 HB2 GLU A 31 -10.655 23.798 11.357 1.00 53.55 H new ATOM 0 HB3 GLU A 31 -12.325 23.267 11.363 1.00 53.55 H new ATOM 0 HG2 GLU A 31 -11.342 24.786 13.752 1.00 35.11 H new ATOM 0 HG3 GLU A 31 -11.574 25.676 12.260 1.00 35.11 H new ATOM 403 N TYR A 32 -9.604 20.898 11.655 1.00 31.25 N ATOM 404 CA TYR A 32 -9.237 19.763 10.817 1.00 41.21 C ATOM 405 C TYR A 32 -9.242 18.467 11.623 1.00 23.23 C ATOM 406 O TYR A 32 -9.619 17.410 11.117 1.00 41.02 O ATOM 407 CB TYR A 32 -7.857 19.986 10.197 1.00 34.11 C ATOM 408 CG TYR A 32 -7.135 18.703 9.850 1.00 13.21 C ATOM 409 CD1 TYR A 32 -6.521 17.940 10.836 1.00 21.02 C ATOM 410 CD2 TYR A 32 -7.066 18.254 8.537 1.00 30.13 C ATOM 411 CE1 TYR A 32 -5.860 16.768 10.523 1.00 54.40 C ATOM 412 CE2 TYR A 32 -6.409 17.083 8.215 1.00 51.54 C ATOM 413 CZ TYR A 32 -5.807 16.344 9.212 1.00 54.53 C ATOM 414 OH TYR A 32 -5.150 15.176 8.896 1.00 4.43 O ATOM 0 H TYR A 32 -8.819 21.483 11.940 1.00 31.25 H new ATOM 0 HA TYR A 32 -9.976 19.677 10.021 1.00 41.21 H new ATOM 0 HB2 TYR A 32 -7.966 20.587 9.294 1.00 34.11 H new ATOM 0 HB3 TYR A 32 -7.245 20.561 10.891 1.00 34.11 H new ATOM 0 HD1 TYR A 32 -6.561 18.269 11.864 1.00 21.02 H new ATOM 0 HD2 TYR A 32 -7.535 18.831 7.754 1.00 30.13 H new ATOM 0 HE1 TYR A 32 -5.387 16.187 11.301 1.00 54.40 H new ATOM 0 HE2 TYR A 32 -6.367 16.748 7.189 1.00 51.54 H new ATOM 0 HH TYR A 32 -5.207 15.020 7.930 1.00 4.43 H new ATOM 423 N ILE A 33 -8.821 18.559 12.880 1.00 30.23 N ATOM 424 CA ILE A 33 -8.778 17.395 13.757 1.00 45.12 C ATOM 425 C ILE A 33 -10.079 17.249 14.540 1.00 32.10 C ATOM 426 O ILE A 33 -10.759 16.227 14.451 1.00 14.34 O ATOM 427 CB ILE A 33 -7.603 17.480 14.749 1.00 25.24 C ATOM 428 CG1 ILE A 33 -7.995 16.862 16.092 1.00 44.40 C ATOM 429 CG2 ILE A 33 -7.169 18.927 14.932 1.00 12.32 C ATOM 430 CD1 ILE A 33 -6.883 16.892 17.118 1.00 44.42 C ATOM 0 H ILE A 33 -8.505 19.426 13.314 1.00 30.23 H new ATOM 0 HA ILE A 33 -8.641 16.523 13.117 1.00 45.12 H new ATOM 0 HB ILE A 33 -6.762 16.917 14.343 1.00 25.24 H new ATOM 0 HG12 ILE A 33 -8.859 17.394 16.489 1.00 44.40 H new ATOM 0 HG13 ILE A 33 -8.303 15.829 15.931 1.00 44.40 H new ATOM 0 HG21 ILE A 33 -6.338 18.971 15.636 1.00 12.32 H new ATOM 0 HG22 ILE A 33 -6.854 19.337 13.972 1.00 12.32 H new ATOM 0 HG23 ILE A 33 -8.004 19.511 15.319 1.00 12.32 H new ATOM 0 HD11 ILE A 33 -7.231 16.438 18.046 1.00 44.42 H new ATOM 0 HD12 ILE A 33 -6.025 16.335 16.741 1.00 44.42 H new ATOM 0 HD13 ILE A 33 -6.591 17.925 17.307 1.00 44.42 H new ATOM 441 N THR A 34 -10.421 18.280 15.307 1.00 13.01 N ATOM 442 CA THR A 34 -11.641 18.267 16.105 1.00 61.41 C ATOM 443 C THR A 34 -12.770 17.550 15.373 1.00 32.13 C ATOM 444 O THR A 34 -13.461 16.710 15.949 1.00 34.21 O ATOM 445 CB THR A 34 -12.098 19.695 16.455 1.00 70.40 C ATOM 446 OG1 THR A 34 -13.408 19.663 17.034 1.00 1.13 O ATOM 447 CG2 THR A 34 -12.107 20.580 15.217 1.00 51.00 C ATOM 0 H THR A 34 -9.870 19.134 15.392 1.00 13.01 H new ATOM 0 HA THR A 34 -11.410 17.731 17.026 1.00 61.41 H new ATOM 0 HB THR A 34 -11.393 20.111 17.175 1.00 70.40 H new ATOM 0 HG1 THR A 34 -13.690 20.575 17.255 1.00 1.13 H new ATOM 0 HG21 THR A 34 -12.433 21.584 15.490 1.00 51.00 H new ATOM 0 HG22 THR A 34 -11.103 20.627 14.796 1.00 51.00 H new ATOM 0 HG23 THR A 34 -12.792 20.164 14.478 1.00 51.00 H new ATOM 604 N PRO A 46 -13.993 -0.829 19.941 1.00 32.42 N ATOM 605 CA PRO A 46 -14.121 -2.109 19.239 1.00 41.12 C ATOM 606 C PRO A 46 -15.346 -2.898 19.689 1.00 63.33 C ATOM 607 O PRO A 46 -15.762 -3.848 19.028 1.00 73.42 O ATOM 608 CB PRO A 46 -12.838 -2.853 19.619 1.00 24.23 C ATOM 609 CG PRO A 46 -12.428 -2.259 20.923 1.00 71.40 C ATOM 610 CD PRO A 46 -12.852 -0.817 20.872 1.00 61.52 C ATOM 0 HA PRO A 46 -14.249 -1.973 18.165 1.00 41.12 H new ATOM 0 HB2 PRO A 46 -13.014 -3.925 19.710 1.00 24.23 H new ATOM 0 HB3 PRO A 46 -12.064 -2.720 18.863 1.00 24.23 H new ATOM 0 HG2 PRO A 46 -12.905 -2.777 21.755 1.00 71.40 H new ATOM 0 HG3 PRO A 46 -11.351 -2.344 21.070 1.00 71.40 H new ATOM 0 HD2 PRO A 46 -13.140 -0.448 21.856 1.00 61.52 H new ATOM 0 HD3 PRO A 46 -12.048 -0.174 20.514 1.00 61.52 H new ATOM 615 N GLU A 47 -15.920 -2.496 20.819 1.00 41.14 N ATOM 616 CA GLU A 47 -17.098 -3.166 21.358 1.00 32.15 C ATOM 617 C GLU A 47 -18.378 -2.530 20.823 1.00 44.05 C ATOM 618 O GLU A 47 -19.483 -2.943 21.175 1.00 41.02 O ATOM 619 CB GLU A 47 -17.089 -3.113 22.887 1.00 14.04 C ATOM 620 CG GLU A 47 -15.735 -3.433 23.498 1.00 25.14 C ATOM 621 CD GLU A 47 -15.837 -3.870 24.946 1.00 62.15 C ATOM 622 OE1 GLU A 47 -16.679 -4.745 25.243 1.00 75.11 O ATOM 623 OE2 GLU A 47 -15.078 -3.339 25.783 1.00 72.31 O ATOM 0 H GLU A 47 -15.589 -1.710 21.379 1.00 41.14 H new ATOM 0 HA GLU A 47 -17.069 -4.208 21.039 1.00 32.15 H new ATOM 0 HB2 GLU A 47 -17.398 -2.119 23.210 1.00 14.04 H new ATOM 0 HB3 GLU A 47 -17.827 -3.817 23.271 1.00 14.04 H new ATOM 0 HG2 GLU A 47 -15.256 -4.221 22.917 1.00 25.14 H new ATOM 0 HG3 GLU A 47 -15.094 -2.554 23.432 1.00 25.14 H new ATOM 628 N ASP A 48 -18.220 -1.522 19.973 1.00 24.02 N ATOM 629 CA ASP A 48 -19.362 -0.827 19.390 1.00 14.34 C ATOM 630 C ASP A 48 -19.957 -1.631 18.239 1.00 14.42 C ATOM 631 O ASP A 48 -20.949 -1.229 17.634 1.00 64.22 O ATOM 632 CB ASP A 48 -18.945 0.560 18.897 1.00 74.43 C ATOM 633 CG ASP A 48 -18.367 0.527 17.496 1.00 31.13 C ATOM 634 OD1 ASP A 48 -17.614 -0.421 17.186 1.00 71.53 O ATOM 635 OD2 ASP A 48 -18.667 1.448 16.709 1.00 33.13 O ATOM 0 H ASP A 48 -17.312 -1.168 19.672 1.00 24.02 H new ATOM 0 HA ASP A 48 -20.122 -0.716 20.164 1.00 14.34 H new ATOM 0 HB2 ASP A 48 -19.809 1.224 18.915 1.00 74.43 H new ATOM 0 HB3 ASP A 48 -18.207 0.979 19.581 1.00 74.43 H new ATOM 639 N ASN A 49 -19.342 -2.772 17.940 1.00 30.25 N ATOM 640 CA ASN A 49 -19.811 -3.632 16.860 1.00 14.55 C ATOM 641 C ASN A 49 -21.257 -4.059 17.092 1.00 4.43 C ATOM 642 O ASN A 49 -21.963 -4.433 16.155 1.00 43.34 O ATOM 643 CB ASN A 49 -18.916 -4.869 16.742 1.00 34.44 C ATOM 644 CG ASN A 49 -19.214 -5.903 17.809 1.00 73.11 C ATOM 645 OD1 ASN A 49 -20.147 -6.696 17.676 1.00 12.21 O ATOM 646 ND2 ASN A 49 -18.422 -5.899 18.874 1.00 54.14 N ATOM 0 H ASN A 49 -18.519 -3.121 18.430 1.00 30.25 H new ATOM 0 HA ASN A 49 -19.763 -3.065 15.930 1.00 14.55 H new ATOM 0 HB2 ASN A 49 -19.050 -5.318 15.758 1.00 34.44 H new ATOM 0 HB3 ASN A 49 -17.871 -4.566 16.815 1.00 34.44 H new ATOM 0 HD21 ASN A 49 -18.574 -6.572 19.625 1.00 54.14 H new ATOM 0 HD22 ASN A 49 -17.661 -5.223 18.941 1.00 54.14 H new ATOM 652 N LYS A 50 -21.692 -3.998 18.346 1.00 52.51 N ATOM 653 CA LYS A 50 -23.054 -4.375 18.703 1.00 55.21 C ATOM 654 C LYS A 50 -23.994 -3.179 18.599 1.00 74.44 C ATOM 655 O LYS A 50 -25.204 -3.340 18.445 1.00 45.15 O ATOM 656 CB LYS A 50 -23.093 -4.945 20.123 1.00 23.24 C ATOM 657 CG LYS A 50 -24.498 -5.125 20.668 1.00 75.23 C ATOM 658 CD LYS A 50 -25.293 -6.125 19.843 1.00 5.34 C ATOM 659 CE LYS A 50 -26.261 -6.917 20.707 1.00 41.04 C ATOM 660 NZ LYS A 50 -27.470 -6.122 21.057 1.00 65.45 N ATOM 0 H LYS A 50 -21.120 -3.691 19.133 1.00 52.51 H new ATOM 0 HA LYS A 50 -23.388 -5.140 18.002 1.00 55.21 H new ATOM 0 HB2 LYS A 50 -22.582 -5.908 20.133 1.00 23.24 H new ATOM 0 HB3 LYS A 50 -22.537 -4.283 20.787 1.00 23.24 H new ATOM 0 HG2 LYS A 50 -24.447 -5.464 21.703 1.00 75.23 H new ATOM 0 HG3 LYS A 50 -25.013 -4.164 20.673 1.00 75.23 H new ATOM 0 HD2 LYS A 50 -25.846 -5.598 19.065 1.00 5.34 H new ATOM 0 HD3 LYS A 50 -24.609 -6.809 19.341 1.00 5.34 H new ATOM 0 HE2 LYS A 50 -26.562 -7.822 20.179 1.00 41.04 H new ATOM 0 HE3 LYS A 50 -25.757 -7.233 21.620 1.00 41.04 H new ATOM 0 HZ1 LYS A 50 -28.105 -6.697 21.647 1.00 65.45 H new ATOM 0 HZ2 LYS A 50 -27.186 -5.271 21.583 1.00 65.45 H new ATOM 0 HZ3 LYS A 50 -27.965 -5.842 20.186 1.00 65.45 H new ATOM 670 N GLY A 51 -23.429 -1.978 18.681 1.00 54.34 N ATOM 671 CA GLY A 51 -24.232 -0.773 18.592 1.00 65.23 C ATOM 672 C GLY A 51 -24.873 -0.602 17.229 1.00 21.31 C ATOM 673 O GLY A 51 -25.958 -0.032 17.112 1.00 55.41 O ATOM 0 H GLY A 51 -22.430 -1.819 18.807 1.00 54.34 H new ATOM 0 HA2 GLY A 51 -25.010 -0.802 19.355 1.00 65.23 H new ATOM 0 HA3 GLY A 51 -23.606 0.093 18.807 1.00 65.23 H new ATOM 676 N VAL A 52 -24.200 -1.094 16.194 1.00 11.21 N ATOM 677 CA VAL A 52 -24.709 -0.993 14.832 1.00 61.41 C ATOM 678 C VAL A 52 -26.033 -1.735 14.685 1.00 22.54 C ATOM 679 O VAL A 52 -26.932 -1.285 13.972 1.00 51.45 O ATOM 680 CB VAL A 52 -23.702 -1.556 13.812 1.00 3.31 C ATOM 681 CG1 VAL A 52 -22.358 -0.857 13.948 1.00 71.40 C ATOM 682 CG2 VAL A 52 -23.549 -3.059 13.989 1.00 73.51 C ATOM 0 H VAL A 52 -23.300 -1.567 16.273 1.00 11.21 H new ATOM 0 HA VAL A 52 -24.864 0.067 14.630 1.00 61.41 H new ATOM 0 HB VAL A 52 -24.084 -1.368 12.809 1.00 3.31 H new ATOM 0 HG11 VAL A 52 -21.659 -1.268 13.219 1.00 71.40 H new ATOM 0 HG12 VAL A 52 -22.483 0.211 13.769 1.00 71.40 H new ATOM 0 HG13 VAL A 52 -21.967 -1.013 14.954 1.00 71.40 H new ATOM 0 HG21 VAL A 52 -22.834 -3.440 13.260 1.00 73.51 H new ATOM 0 HG22 VAL A 52 -23.190 -3.272 14.996 1.00 73.51 H new ATOM 0 HG23 VAL A 52 -24.514 -3.543 13.838 1.00 73.51 H new ATOM 692 N PHE A 53 -26.148 -2.871 15.362 1.00 11.33 N ATOM 693 CA PHE A 53 -27.362 -3.677 15.306 1.00 31.32 C ATOM 694 C PHE A 53 -28.401 -3.162 16.297 1.00 44.51 C ATOM 695 O PHE A 53 -29.542 -3.623 16.311 1.00 30.22 O ATOM 696 CB PHE A 53 -27.041 -5.144 15.600 1.00 23.22 C ATOM 697 CG PHE A 53 -26.424 -5.866 14.437 1.00 40.34 C ATOM 698 CD1 PHE A 53 -25.050 -5.873 14.259 1.00 51.23 C ATOM 699 CD2 PHE A 53 -27.218 -6.540 13.523 1.00 53.00 C ATOM 700 CE1 PHE A 53 -24.479 -6.538 13.191 1.00 34.43 C ATOM 701 CE2 PHE A 53 -26.651 -7.207 12.453 1.00 72.25 C ATOM 702 CZ PHE A 53 -25.280 -7.206 12.286 1.00 63.43 C ATOM 0 H PHE A 53 -25.414 -3.256 15.957 1.00 11.33 H new ATOM 0 HA PHE A 53 -27.775 -3.599 14.300 1.00 31.32 H new ATOM 0 HB2 PHE A 53 -26.362 -5.196 16.451 1.00 23.22 H new ATOM 0 HB3 PHE A 53 -27.957 -5.657 15.891 1.00 23.22 H new ATOM 0 HD1 PHE A 53 -24.418 -5.353 14.963 1.00 51.23 H new ATOM 0 HD2 PHE A 53 -28.291 -6.544 13.648 1.00 53.00 H new ATOM 0 HE1 PHE A 53 -23.406 -6.535 13.064 1.00 34.43 H new ATOM 0 HE2 PHE A 53 -27.280 -7.729 11.747 1.00 72.25 H new ATOM 0 HZ PHE A 53 -24.836 -7.726 11.450 1.00 63.43 H new ATOM 711 N GLN A 54 -27.996 -2.206 17.128 1.00 71.20 N ATOM 712 CA GLN A 54 -28.891 -1.631 18.124 1.00 64.30 C ATOM 713 C GLN A 54 -30.139 -1.053 17.466 1.00 71.51 C ATOM 714 O GLN A 54 -31.201 -0.975 18.084 1.00 22.04 O ATOM 715 CB GLN A 54 -28.170 -0.541 18.920 1.00 53.33 C ATOM 716 CG GLN A 54 -28.752 -0.316 20.306 1.00 24.22 C ATOM 717 CD GLN A 54 -30.061 0.449 20.272 1.00 2.51 C ATOM 718 OE1 GLN A 54 -31.073 -0.007 20.804 1.00 30.21 O ATOM 719 NE2 GLN A 54 -30.048 1.619 19.644 1.00 0.32 N ATOM 0 H GLN A 54 -27.054 -1.814 17.131 1.00 71.20 H new ATOM 0 HA GLN A 54 -29.196 -2.427 18.803 1.00 64.30 H new ATOM 0 HB2 GLN A 54 -27.118 -0.808 19.016 1.00 53.33 H new ATOM 0 HB3 GLN A 54 -28.212 0.394 18.361 1.00 53.33 H new ATOM 0 HG2 GLN A 54 -28.911 -1.280 20.790 1.00 24.22 H new ATOM 0 HG3 GLN A 54 -28.032 0.231 20.914 1.00 24.22 H new ATOM 0 HE21 GLN A 54 -29.186 1.959 19.217 1.00 0.32 H new ATOM 0 HE22 GLN A 54 -30.900 2.178 19.589 1.00 0.32 H new ATOM 726 N GLY A 55 -30.005 -0.648 16.206 1.00 54.43 N ATOM 727 CA GLY A 55 -31.130 -0.083 15.484 1.00 24.53 C ATOM 728 C GLY A 55 -31.909 -1.128 14.713 1.00 72.43 C ATOM 729 O GLY A 55 -33.136 -1.186 14.798 1.00 55.52 O ATOM 0 H GLY A 55 -29.137 -0.701 15.673 1.00 54.43 H new ATOM 0 HA2 GLY A 55 -31.796 0.415 16.188 1.00 24.53 H new ATOM 0 HA3 GLY A 55 -30.769 0.679 14.793 1.00 24.53 H new ATOM 732 N VAL A 56 -31.197 -1.956 13.956 1.00 72.14 N ATOM 733 CA VAL A 56 -31.830 -3.005 13.165 1.00 53.53 C ATOM 734 C VAL A 56 -32.473 -4.058 14.062 1.00 14.25 C ATOM 735 O VAL A 56 -33.455 -4.696 13.683 1.00 12.32 O ATOM 736 CB VAL A 56 -30.817 -3.692 12.231 1.00 34.12 C ATOM 737 CG1 VAL A 56 -29.949 -2.658 11.530 1.00 43.24 C ATOM 738 CG2 VAL A 56 -29.960 -4.680 13.008 1.00 73.34 C ATOM 0 H VAL A 56 -30.181 -1.921 13.874 1.00 72.14 H new ATOM 0 HA VAL A 56 -32.601 -2.525 12.562 1.00 53.53 H new ATOM 0 HB VAL A 56 -31.369 -4.244 11.470 1.00 34.12 H new ATOM 0 HG11 VAL A 56 -29.239 -3.163 10.874 1.00 43.24 H new ATOM 0 HG12 VAL A 56 -30.580 -1.994 10.939 1.00 43.24 H new ATOM 0 HG13 VAL A 56 -29.405 -2.075 12.273 1.00 43.24 H new ATOM 0 HG21 VAL A 56 -29.250 -5.156 12.332 1.00 73.34 H new ATOM 0 HG22 VAL A 56 -29.417 -4.152 13.792 1.00 73.34 H new ATOM 0 HG23 VAL A 56 -30.598 -5.440 13.458 1.00 73.34 H new ATOM 748 N HIS A 57 -31.910 -4.234 15.254 1.00 61.24 N ATOM 749 CA HIS A 57 -32.429 -5.209 16.206 1.00 40.20 C ATOM 750 C HIS A 57 -33.939 -5.061 16.369 1.00 64.30 C ATOM 751 O HIS A 57 -34.660 -6.050 16.489 1.00 72.53 O ATOM 752 CB HIS A 57 -31.741 -5.046 17.562 1.00 13.03 C ATOM 753 CG HIS A 57 -32.286 -5.950 18.623 1.00 40.50 C ATOM 754 ND1 HIS A 57 -31.632 -7.086 19.053 1.00 73.03 N ATOM 755 CD2 HIS A 57 -33.429 -5.880 19.345 1.00 52.43 C ATOM 756 CE1 HIS A 57 -32.350 -7.677 19.991 1.00 63.35 C ATOM 757 NE2 HIS A 57 -33.446 -6.964 20.187 1.00 51.55 N ATOM 0 H HIS A 57 -31.096 -3.715 15.583 1.00 61.24 H new ATOM 0 HA HIS A 57 -32.219 -6.205 15.817 1.00 40.20 H new ATOM 0 HB2 HIS A 57 -30.675 -5.239 17.445 1.00 13.03 H new ATOM 0 HB3 HIS A 57 -31.843 -4.012 17.890 1.00 13.03 H new ATOM 0 HD2 HIS A 57 -34.187 -5.114 19.272 1.00 52.43 H new ATOM 0 HE1 HIS A 57 -32.087 -8.587 20.509 1.00 63.35 H new ATOM 0 HE2 HIS A 57 -34.184 -7.184 20.855 1.00 51.55 H new ATOM 764 N ASP A 58 -34.409 -3.817 16.372 1.00 50.24 N ATOM 765 CA ASP A 58 -35.833 -3.539 16.520 1.00 20.22 C ATOM 766 C ASP A 58 -36.647 -4.310 15.486 1.00 55.44 C ATOM 767 O ASP A 58 -37.818 -4.620 15.709 1.00 41.34 O ATOM 768 CB ASP A 58 -36.098 -2.039 16.379 1.00 41.33 C ATOM 769 CG ASP A 58 -37.578 -1.711 16.372 1.00 75.31 C ATOM 770 OD1 ASP A 58 -38.261 -2.028 17.368 1.00 4.52 O ATOM 771 OD2 ASP A 58 -38.054 -1.139 15.369 1.00 31.34 O ATOM 0 H ASP A 58 -33.825 -2.987 16.274 1.00 50.24 H new ATOM 0 HA ASP A 58 -36.140 -3.863 17.514 1.00 20.22 H new ATOM 0 HB2 ASP A 58 -35.615 -1.509 17.200 1.00 41.33 H new ATOM 0 HB3 ASP A 58 -35.644 -1.678 15.456 1.00 41.33 H new ATOM 775 N SER A 59 -36.021 -4.618 14.355 1.00 3.54 N ATOM 776 CA SER A 59 -36.688 -5.350 13.286 1.00 75.22 C ATOM 777 C SER A 59 -37.199 -6.698 13.786 1.00 31.41 C ATOM 778 O SER A 59 -38.350 -7.064 13.551 1.00 35.34 O ATOM 779 CB SER A 59 -35.733 -5.558 12.108 1.00 72.25 C ATOM 780 OG SER A 59 -36.306 -6.414 11.133 1.00 4.24 O ATOM 0 H SER A 59 -35.052 -4.371 14.156 1.00 3.54 H new ATOM 0 HA SER A 59 -37.541 -4.759 12.953 1.00 75.22 H new ATOM 0 HB2 SER A 59 -35.493 -4.596 11.656 1.00 72.25 H new ATOM 0 HB3 SER A 59 -34.796 -5.985 12.466 1.00 72.25 H new ATOM 0 HG SER A 59 -35.678 -6.530 10.390 1.00 4.24 H new ATOM 785 N ALA A 60 -36.333 -7.432 14.477 1.00 33.24 N ATOM 786 CA ALA A 60 -36.695 -8.738 15.011 1.00 42.44 C ATOM 787 C ALA A 60 -37.261 -8.616 16.423 1.00 34.24 C ATOM 788 O ALA A 60 -37.453 -9.617 17.112 1.00 71.03 O ATOM 789 CB ALA A 60 -35.489 -9.666 15.003 1.00 5.45 C ATOM 0 H ALA A 60 -35.376 -7.144 14.680 1.00 33.24 H new ATOM 0 HA ALA A 60 -37.469 -9.162 14.372 1.00 42.44 H new ATOM 0 HB1 ALA A 60 -35.775 -10.638 15.405 1.00 5.45 H new ATOM 0 HB2 ALA A 60 -35.130 -9.787 13.981 1.00 5.45 H new ATOM 0 HB3 ALA A 60 -34.697 -9.238 15.617 1.00 5.45 H new ATOM 795 N GLU A 61 -37.524 -7.383 16.845 1.00 34.30 N ATOM 796 CA GLU A 61 -38.067 -7.132 18.174 1.00 44.32 C ATOM 797 C GLU A 61 -39.305 -7.988 18.428 1.00 32.33 C ATOM 798 O GLU A 61 -39.536 -8.450 19.545 1.00 61.33 O ATOM 799 CB GLU A 61 -38.416 -5.651 18.335 1.00 45.21 C ATOM 800 CG GLU A 61 -39.072 -5.321 19.665 1.00 62.31 C ATOM 801 CD GLU A 61 -38.112 -5.433 20.833 1.00 30.25 C ATOM 802 OE1 GLU A 61 -36.918 -5.713 20.594 1.00 44.15 O ATOM 803 OE2 GLU A 61 -38.552 -5.239 21.985 1.00 55.54 O ATOM 0 H GLU A 61 -37.370 -6.544 16.286 1.00 34.30 H new ATOM 0 HA GLU A 61 -37.305 -7.401 18.906 1.00 44.32 H new ATOM 0 HB2 GLU A 61 -37.507 -5.059 18.231 1.00 45.21 H new ATOM 0 HB3 GLU A 61 -39.084 -5.354 17.526 1.00 45.21 H new ATOM 0 HG2 GLU A 61 -39.474 -4.309 19.626 1.00 62.31 H new ATOM 0 HG3 GLU A 61 -39.915 -5.993 19.827 1.00 62.31 H new ATOM 808 N LYS A 62 -40.098 -8.194 17.382 1.00 51.25 N ATOM 809 CA LYS A 62 -41.312 -8.995 17.489 1.00 73.13 C ATOM 810 C LYS A 62 -40.979 -10.455 17.778 1.00 2.44 C ATOM 811 O LYS A 62 -41.539 -11.061 18.690 1.00 52.13 O ATOM 812 CB LYS A 62 -42.129 -8.894 16.199 1.00 61.41 C ATOM 813 CG LYS A 62 -42.648 -7.495 15.916 1.00 60.33 C ATOM 814 CD LYS A 62 -44.012 -7.267 16.547 1.00 14.22 C ATOM 815 CE LYS A 62 -43.887 -6.718 17.960 1.00 34.10 C ATOM 816 NZ LYS A 62 -45.079 -5.916 18.350 1.00 4.14 N ATOM 0 H LYS A 62 -39.922 -7.817 16.451 1.00 51.25 H new ATOM 0 HA LYS A 62 -41.902 -8.605 18.318 1.00 73.13 H new ATOM 0 HB2 LYS A 62 -41.512 -9.220 15.362 1.00 61.41 H new ATOM 0 HB3 LYS A 62 -42.973 -9.581 16.259 1.00 61.41 H new ATOM 0 HG2 LYS A 62 -41.941 -6.759 16.300 1.00 60.33 H new ATOM 0 HG3 LYS A 62 -42.714 -7.342 14.839 1.00 60.33 H new ATOM 0 HD2 LYS A 62 -44.586 -6.571 15.935 1.00 14.22 H new ATOM 0 HD3 LYS A 62 -44.566 -8.205 16.568 1.00 14.22 H new ATOM 0 HE2 LYS A 62 -43.759 -7.543 18.660 1.00 34.10 H new ATOM 0 HE3 LYS A 62 -42.993 -6.098 18.031 1.00 34.10 H new ATOM 0 HZ1 LYS A 62 -44.956 -5.559 19.319 1.00 4.14 H new ATOM 0 HZ2 LYS A 62 -45.186 -5.114 17.697 1.00 4.14 H new ATOM 0 HZ3 LYS A 62 -45.929 -6.514 18.307 1.00 4.14 H new ATOM 826 N GLY A 63 -40.059 -11.013 16.996 1.00 1.14 N ATOM 827 CA GLY A 63 -39.665 -12.397 17.186 1.00 3.01 C ATOM 828 C GLY A 63 -38.655 -12.564 18.303 1.00 51.40 C ATOM 829 O GLY A 63 -38.187 -13.672 18.567 1.00 52.40 O ATOM 0 H GLY A 63 -39.580 -10.532 16.235 1.00 1.14 H new ATOM 0 HA2 GLY A 63 -40.549 -12.996 17.407 1.00 3.01 H new ATOM 0 HA3 GLY A 63 -39.243 -12.782 16.258 1.00 3.01 H new ATOM 832 N LYS A 64 -38.316 -11.462 18.962 1.00 22.35 N ATOM 833 CA LYS A 64 -37.354 -11.489 20.058 1.00 74.15 C ATOM 834 C LYS A 64 -37.988 -10.988 21.351 1.00 73.04 C ATOM 835 O LYS A 64 -37.302 -10.456 22.225 1.00 73.42 O ATOM 836 CB LYS A 64 -36.132 -10.637 19.712 1.00 25.24 C ATOM 837 CG LYS A 64 -34.903 -10.969 20.542 1.00 60.13 C ATOM 838 CD LYS A 64 -34.154 -12.163 19.975 1.00 73.32 C ATOM 839 CE LYS A 64 -32.685 -12.136 20.366 1.00 24.31 C ATOM 840 NZ LYS A 64 -32.017 -13.441 20.104 1.00 33.42 N ATOM 0 H LYS A 64 -38.694 -10.537 18.756 1.00 22.35 H new ATOM 0 HA LYS A 64 -37.038 -12.522 20.206 1.00 74.15 H new ATOM 0 HB2 LYS A 64 -35.894 -10.770 18.657 1.00 25.24 H new ATOM 0 HB3 LYS A 64 -36.381 -9.585 19.852 1.00 25.24 H new ATOM 0 HG2 LYS A 64 -34.240 -10.104 20.574 1.00 60.13 H new ATOM 0 HG3 LYS A 64 -35.202 -11.180 21.569 1.00 60.13 H new ATOM 0 HD2 LYS A 64 -34.611 -13.085 20.335 1.00 73.32 H new ATOM 0 HD3 LYS A 64 -34.242 -12.167 18.889 1.00 73.32 H new ATOM 0 HE2 LYS A 64 -32.176 -11.349 19.810 1.00 24.31 H new ATOM 0 HE3 LYS A 64 -32.595 -11.888 21.424 1.00 24.31 H new ATOM 0 HZ1 LYS A 64 -31.017 -13.382 20.384 1.00 33.42 H new ATOM 0 HZ2 LYS A 64 -32.487 -14.188 20.654 1.00 33.42 H new ATOM 0 HZ3 LYS A 64 -32.080 -13.666 19.091 1.00 33.42 H new ATOM 850 N ASP A 65 -39.300 -11.163 21.468 1.00 50.20 N ATOM 851 CA ASP A 65 -40.026 -10.731 22.656 1.00 64.01 C ATOM 852 C ASP A 65 -40.310 -11.911 23.580 1.00 14.33 C ATOM 853 O ASP A 65 -41.125 -11.813 24.495 1.00 43.42 O ATOM 854 CB ASP A 65 -41.337 -10.051 22.260 1.00 61.44 C ATOM 855 CG ASP A 65 -41.202 -8.543 22.165 1.00 73.33 C ATOM 856 OD1 ASP A 65 -40.484 -7.957 23.002 1.00 13.21 O ATOM 857 OD2 ASP A 65 -41.815 -7.950 21.252 1.00 4.33 O ATOM 0 H ASP A 65 -39.882 -11.601 20.754 1.00 50.20 H new ATOM 0 HA ASP A 65 -39.402 -10.016 23.192 1.00 64.01 H new ATOM 0 HB2 ASP A 65 -41.671 -10.444 21.300 1.00 61.44 H new ATOM 0 HB3 ASP A 65 -42.107 -10.299 22.991 1.00 61.44 H new ATOM 861 N ASN A 66 -39.632 -13.026 23.331 1.00 53.32 N ATOM 862 CA ASN A 66 -39.813 -14.227 24.139 1.00 13.14 C ATOM 863 C ASN A 66 -39.632 -13.917 25.621 1.00 71.24 C ATOM 864 O ASN A 66 -40.107 -14.658 26.482 1.00 3.32 O ATOM 865 CB ASN A 66 -38.821 -15.311 23.709 1.00 62.41 C ATOM 866 CG ASN A 66 -37.560 -14.730 23.098 1.00 73.04 C ATOM 867 OD1 ASN A 66 -37.126 -15.151 22.025 1.00 71.02 O ATOM 868 ND2 ASN A 66 -36.965 -13.759 23.780 1.00 64.24 N ATOM 0 H ASN A 66 -38.952 -13.123 22.577 1.00 53.32 H new ATOM 0 HA ASN A 66 -40.829 -14.590 23.983 1.00 13.14 H new ATOM 0 HB2 ASN A 66 -38.556 -15.920 24.573 1.00 62.41 H new ATOM 0 HB3 ASN A 66 -39.300 -15.973 22.987 1.00 62.41 H new ATOM 0 HD21 ASN A 66 -36.113 -13.330 23.419 1.00 64.24 H new ATOM 0 HD22 ASN A 66 -37.360 -13.442 24.665 1.00 64.24 H new ATOM 874 N ALA A 67 -38.945 -12.818 25.911 1.00 61.11 N ATOM 875 CA ALA A 67 -38.704 -12.408 27.289 1.00 40.14 C ATOM 876 C ALA A 67 -40.003 -11.993 27.973 1.00 3.05 C ATOM 877 O ALA A 67 -40.146 -12.127 29.188 1.00 13.32 O ATOM 878 CB ALA A 67 -37.696 -11.270 27.333 1.00 1.24 C ATOM 0 H ALA A 67 -38.545 -12.195 25.210 1.00 61.11 H new ATOM 0 HA ALA A 67 -38.295 -13.262 27.830 1.00 40.14 H new ATOM 0 HB1 ALA A 67 -37.526 -10.974 28.368 1.00 1.24 H new ATOM 0 HB2 ALA A 67 -36.756 -11.599 26.891 1.00 1.24 H new ATOM 0 HB3 ALA A 67 -38.083 -10.419 26.772 1.00 1.24 H new ATOM 947 N LEU A 74 -50.834 -7.530 26.800 1.00 0.32 N ATOM 948 CA LEU A 74 -50.001 -6.640 25.997 1.00 43.24 C ATOM 949 C LEU A 74 -50.595 -5.236 25.949 1.00 43.02 C ATOM 950 O LEU A 74 -49.923 -4.280 25.563 1.00 33.05 O ATOM 951 CB LEU A 74 -49.851 -7.192 24.579 1.00 31.23 C ATOM 952 CG LEU A 74 -48.879 -8.360 24.413 1.00 53.01 C ATOM 953 CD1 LEU A 74 -47.493 -7.977 24.909 1.00 64.12 C ATOM 954 CD2 LEU A 74 -49.390 -9.589 25.150 1.00 63.03 C ATOM 0 HA LEU A 74 -49.017 -6.583 26.463 1.00 43.24 H new ATOM 0 HB2 LEU A 74 -50.833 -7.510 24.229 1.00 31.23 H new ATOM 0 HB3 LEU A 74 -49.527 -6.381 23.927 1.00 31.23 H new ATOM 0 HG LEU A 74 -48.809 -8.600 23.352 1.00 53.01 H new ATOM 0 HD11 LEU A 74 -46.815 -8.821 24.783 1.00 64.12 H new ATOM 0 HD12 LEU A 74 -47.124 -7.126 24.336 1.00 64.12 H new ATOM 0 HD13 LEU A 74 -47.545 -7.709 25.964 1.00 64.12 H new ATOM 0 HD21 LEU A 74 -48.685 -10.410 25.020 1.00 63.03 H new ATOM 0 HD22 LEU A 74 -49.491 -9.361 26.211 1.00 63.03 H new ATOM 0 HD23 LEU A 74 -50.361 -9.877 24.747 1.00 63.03 H new ATOM 965 N ALA A 75 -51.857 -5.119 26.346 1.00 64.53 N ATOM 966 CA ALA A 75 -52.540 -3.831 26.352 1.00 41.00 C ATOM 967 C ALA A 75 -52.188 -3.028 27.600 1.00 52.41 C ATOM 968 O ALA A 75 -52.246 -1.798 27.595 1.00 11.31 O ATOM 969 CB ALA A 75 -54.045 -4.031 26.259 1.00 64.44 C ATOM 0 H ALA A 75 -52.428 -5.901 26.668 1.00 64.53 H new ATOM 0 HA ALA A 75 -52.205 -3.267 25.482 1.00 41.00 H new ATOM 0 HB1 ALA A 75 -54.542 -3.061 26.265 1.00 64.44 H new ATOM 0 HB2 ALA A 75 -54.286 -4.557 25.335 1.00 64.44 H new ATOM 0 HB3 ALA A 75 -54.387 -4.619 27.111 1.00 64.44 H new ATOM 975 N ASP A 76 -51.822 -3.732 28.666 1.00 60.55 N ATOM 976 CA ASP A 76 -51.460 -3.085 29.921 1.00 24.22 C ATOM 977 C ASP A 76 -50.303 -2.112 29.716 1.00 4.51 C ATOM 978 O ASP A 76 -50.304 -1.008 30.262 1.00 1.51 O ATOM 979 CB ASP A 76 -51.083 -4.132 30.970 1.00 30.14 C ATOM 980 CG ASP A 76 -50.589 -3.508 32.261 1.00 71.41 C ATOM 981 OD1 ASP A 76 -49.388 -3.175 32.337 1.00 63.44 O ATOM 982 OD2 ASP A 76 -51.405 -3.353 33.194 1.00 33.22 O ATOM 0 H ASP A 76 -51.768 -4.750 28.686 1.00 60.55 H new ATOM 0 HA ASP A 76 -52.325 -2.524 30.275 1.00 24.22 H new ATOM 0 HB2 ASP A 76 -51.950 -4.759 31.181 1.00 30.14 H new ATOM 0 HB3 ASP A 76 -50.309 -4.784 30.566 1.00 30.14 H new ATOM 986 N GLN A 77 -49.317 -2.530 28.929 1.00 53.52 N ATOM 987 CA GLN A 77 -48.153 -1.697 28.655 1.00 3.42 C ATOM 988 C GLN A 77 -48.454 -0.687 27.553 1.00 33.24 C ATOM 989 O GLN A 77 -48.010 0.460 27.609 1.00 41.42 O ATOM 990 CB GLN A 77 -46.959 -2.566 28.255 1.00 61.11 C ATOM 991 CG GLN A 77 -46.833 -2.774 26.755 1.00 71.10 C ATOM 992 CD GLN A 77 -45.732 -3.750 26.391 1.00 0.43 C ATOM 993 OE1 GLN A 77 -45.946 -4.686 25.621 1.00 71.35 O ATOM 994 NE2 GLN A 77 -44.544 -3.535 26.944 1.00 33.44 N ATOM 0 H GLN A 77 -49.301 -3.441 28.470 1.00 53.52 H new ATOM 0 HA GLN A 77 -47.906 -1.151 29.566 1.00 3.42 H new ATOM 0 HB2 GLN A 77 -46.044 -2.105 28.628 1.00 61.11 H new ATOM 0 HB3 GLN A 77 -47.048 -3.537 28.742 1.00 61.11 H new ATOM 0 HG2 GLN A 77 -47.782 -3.140 26.362 1.00 71.10 H new ATOM 0 HG3 GLN A 77 -46.637 -1.815 26.274 1.00 71.10 H new ATOM 0 HE21 GLN A 77 -44.411 -2.746 27.577 1.00 33.44 H new ATOM 0 HE22 GLN A 77 -43.764 -4.159 26.736 1.00 33.44 H new ATOM 1001 N ALA A 78 -49.209 -1.122 26.550 1.00 70.32 N ATOM 1002 CA ALA A 78 -49.571 -0.255 25.435 1.00 15.31 C ATOM 1003 C ALA A 78 -49.948 1.140 25.923 1.00 33.11 C ATOM 1004 O ALA A 78 -49.698 2.134 25.242 1.00 11.10 O ATOM 1005 CB ALA A 78 -50.717 -0.867 24.641 1.00 23.15 C ATOM 0 H ALA A 78 -49.582 -2.069 26.486 1.00 70.32 H new ATOM 0 HA ALA A 78 -48.702 -0.160 24.784 1.00 15.31 H new ATOM 0 HB1 ALA A 78 -50.977 -0.209 23.812 1.00 23.15 H new ATOM 0 HB2 ALA A 78 -50.412 -1.838 24.252 1.00 23.15 H new ATOM 0 HB3 ALA A 78 -51.584 -0.992 25.290 1.00 23.15 H new ATOM 1011 N ARG A 79 -50.552 1.205 27.104 1.00 44.33 N ATOM 1012 CA ARG A 79 -50.965 2.478 27.682 1.00 53.52 C ATOM 1013 C ARG A 79 -49.772 3.215 28.283 1.00 34.54 C ATOM 1014 O ARG A 79 -49.446 4.330 27.869 1.00 74.05 O ATOM 1015 CB ARG A 79 -52.030 2.253 28.757 1.00 73.41 C ATOM 1016 CG ARG A 79 -53.271 1.537 28.244 1.00 4.44 C ATOM 1017 CD ARG A 79 -54.305 1.358 29.345 1.00 43.40 C ATOM 1018 NE ARG A 79 -54.957 2.618 29.694 1.00 13.14 N ATOM 1019 CZ ARG A 79 -56.118 2.692 30.332 1.00 75.52 C ATOM 1020 NH1 ARG A 79 -56.754 1.584 30.691 1.00 34.12 N ATOM 1021 NH2 ARG A 79 -56.649 3.875 30.613 1.00 2.42 N ATOM 0 H ARG A 79 -50.767 0.391 27.680 1.00 44.33 H new ATOM 0 HA ARG A 79 -51.386 3.090 26.884 1.00 53.52 H new ATOM 0 HB2 ARG A 79 -51.596 1.672 29.571 1.00 73.41 H new ATOM 0 HB3 ARG A 79 -52.323 3.217 29.174 1.00 73.41 H new ATOM 0 HG2 ARG A 79 -53.707 2.105 27.423 1.00 4.44 H new ATOM 0 HG3 ARG A 79 -52.991 0.562 27.844 1.00 4.44 H new ATOM 0 HD2 ARG A 79 -55.057 0.638 29.022 1.00 43.40 H new ATOM 0 HD3 ARG A 79 -53.824 0.942 30.230 1.00 43.40 H new ATOM 0 HE ARG A 79 -54.494 3.489 29.433 1.00 13.14 H new ATOM 0 HH11 ARG A 79 -56.350 0.672 30.477 1.00 34.12 H new ATOM 0 HH12 ARG A 79 -57.646 1.644 31.181 1.00 34.12 H new ATOM 0 HH21 ARG A 79 -56.165 4.730 30.338 1.00 2.42 H new ATOM 0 HH22 ARG A 79 -57.542 3.930 31.104 1.00 2.42 H new ATOM 1032 N ASP A 80 -49.124 2.588 29.257 1.00 22.05 N ATOM 1033 CA ASP A 80 -47.966 3.184 29.913 1.00 22.43 C ATOM 1034 C ASP A 80 -46.735 3.116 29.013 1.00 70.41 C ATOM 1035 O ASP A 80 -46.086 4.129 28.755 1.00 5.24 O ATOM 1036 CB ASP A 80 -47.683 2.476 31.238 1.00 4.51 C ATOM 1037 CG ASP A 80 -46.870 3.331 32.190 1.00 32.32 C ATOM 1038 OD1 ASP A 80 -47.261 4.494 32.425 1.00 33.40 O ATOM 1039 OD2 ASP A 80 -45.842 2.838 32.701 1.00 61.34 O ATOM 0 H ASP A 80 -49.381 1.666 29.611 1.00 22.05 H new ATOM 0 HA ASP A 80 -48.192 4.232 30.111 1.00 22.43 H new ATOM 0 HB2 ASP A 80 -48.627 2.207 31.712 1.00 4.51 H new ATOM 0 HB3 ASP A 80 -47.149 1.546 31.043 1.00 4.51 H new ATOM 1043 N TYR A 81 -46.423 1.915 28.538 1.00 32.43 N ATOM 1044 CA TYR A 81 -45.270 1.714 27.669 1.00 13.05 C ATOM 1045 C TYR A 81 -45.176 2.819 26.622 1.00 21.41 C ATOM 1046 O TYR A 81 -44.227 3.603 26.613 1.00 15.12 O ATOM 1047 CB TYR A 81 -45.354 0.351 26.982 1.00 54.11 C ATOM 1048 CG TYR A 81 -44.014 -0.184 26.530 1.00 14.52 C ATOM 1049 CD1 TYR A 81 -42.909 -0.145 27.371 1.00 44.34 C ATOM 1050 CD2 TYR A 81 -43.852 -0.729 25.261 1.00 4.51 C ATOM 1051 CE1 TYR A 81 -41.682 -0.632 26.964 1.00 32.51 C ATOM 1052 CE2 TYR A 81 -42.629 -1.219 24.846 1.00 72.33 C ATOM 1053 CZ TYR A 81 -41.548 -1.168 25.700 1.00 0.40 C ATOM 1054 OH TYR A 81 -40.328 -1.654 25.289 1.00 73.11 O ATOM 0 H TYR A 81 -46.952 1.067 28.740 1.00 32.43 H new ATOM 0 HA TYR A 81 -44.373 1.747 28.287 1.00 13.05 H new ATOM 0 HB2 TYR A 81 -45.809 -0.364 27.667 1.00 54.11 H new ATOM 0 HB3 TYR A 81 -46.014 0.429 26.118 1.00 54.11 H new ATOM 0 HD1 TYR A 81 -43.011 0.274 28.361 1.00 44.34 H new ATOM 0 HD2 TYR A 81 -44.696 -0.770 24.589 1.00 4.51 H new ATOM 0 HE1 TYR A 81 -40.833 -0.593 27.631 1.00 32.51 H new ATOM 0 HE2 TYR A 81 -42.520 -1.640 23.857 1.00 72.33 H new ATOM 0 HH TYR A 81 -40.404 -1.997 24.374 1.00 73.11 H new ATOM 1063 N MET A 82 -46.170 2.876 25.741 1.00 22.24 N ATOM 1064 CA MET A 82 -46.202 3.886 24.690 1.00 64.55 C ATOM 1065 C MET A 82 -45.891 5.268 25.255 1.00 20.52 C ATOM 1066 O MET A 82 -45.256 6.091 24.596 1.00 14.43 O ATOM 1067 CB MET A 82 -47.571 3.898 24.006 1.00 11.23 C ATOM 1068 CG MET A 82 -48.609 4.732 24.738 1.00 5.33 C ATOM 1069 SD MET A 82 -50.179 4.818 23.855 1.00 4.10 S ATOM 1070 CE MET A 82 -51.183 5.714 25.038 1.00 73.11 C ATOM 0 H MET A 82 -46.963 2.235 25.734 1.00 22.24 H new ATOM 0 HA MET A 82 -45.439 3.633 23.954 1.00 64.55 H new ATOM 0 HB2 MET A 82 -47.458 4.282 22.992 1.00 11.23 H new ATOM 0 HB3 MET A 82 -47.934 2.874 23.921 1.00 11.23 H new ATOM 0 HG2 MET A 82 -48.776 4.309 25.729 1.00 5.33 H new ATOM 0 HG3 MET A 82 -48.222 5.741 24.883 1.00 5.33 H new ATOM 0 HE1 MET A 82 -52.225 5.694 24.720 1.00 73.11 H new ATOM 0 HE2 MET A 82 -51.094 5.247 26.019 1.00 73.11 H new ATOM 0 HE3 MET A 82 -50.842 6.748 25.096 1.00 73.11 H new ATOM 1078 N GLY A 83 -46.345 5.519 26.479 1.00 73.12 N ATOM 1079 CA GLY A 83 -46.106 6.803 27.111 1.00 21.11 C ATOM 1080 C GLY A 83 -44.669 6.967 27.564 1.00 60.10 C ATOM 1081 O GLY A 83 -43.978 7.891 27.136 1.00 13.11 O ATOM 0 H GLY A 83 -46.874 4.855 27.044 1.00 73.12 H new ATOM 0 HA2 GLY A 83 -46.357 7.601 26.412 1.00 21.11 H new ATOM 0 HA3 GLY A 83 -46.769 6.911 27.969 1.00 21.11 H new ATOM 1084 N ALA A 84 -44.218 6.070 28.435 1.00 33.22 N ATOM 1085 CA ALA A 84 -42.854 6.119 28.946 1.00 1.02 C ATOM 1086 C ALA A 84 -41.841 6.130 27.806 1.00 42.23 C ATOM 1087 O ALA A 84 -40.687 6.515 27.993 1.00 32.20 O ATOM 1088 CB ALA A 84 -42.595 4.942 29.874 1.00 74.25 C ATOM 0 H ALA A 84 -44.778 5.300 28.801 1.00 33.22 H new ATOM 0 HA ALA A 84 -42.737 7.044 29.510 1.00 1.02 H new ATOM 0 HB1 ALA A 84 -41.572 4.992 30.248 1.00 74.25 H new ATOM 0 HB2 ALA A 84 -43.290 4.980 30.713 1.00 74.25 H new ATOM 0 HB3 ALA A 84 -42.736 4.010 29.327 1.00 74.25 H new ATOM 1094 N ALA A 85 -42.279 5.705 26.626 1.00 71.45 N ATOM 1095 CA ALA A 85 -41.411 5.667 25.456 1.00 42.00 C ATOM 1096 C ALA A 85 -41.494 6.970 24.669 1.00 74.40 C ATOM 1097 O ALA A 85 -40.587 7.801 24.725 1.00 74.13 O ATOM 1098 CB ALA A 85 -41.774 4.486 24.568 1.00 64.12 C ATOM 0 H ALA A 85 -43.231 5.382 26.455 1.00 71.45 H new ATOM 0 HA ALA A 85 -40.384 5.546 25.799 1.00 42.00 H new ATOM 0 HB1 ALA A 85 -41.118 4.470 23.698 1.00 64.12 H new ATOM 0 HB2 ALA A 85 -41.656 3.559 25.129 1.00 64.12 H new ATOM 0 HB3 ALA A 85 -42.809 4.582 24.240 1.00 64.12 H new ATOM 1104 N LYS A 86 -42.588 7.142 23.934 1.00 32.25 N ATOM 1105 CA LYS A 86 -42.790 8.345 23.134 1.00 55.40 C ATOM 1106 C LYS A 86 -42.448 9.596 23.936 1.00 45.45 C ATOM 1107 O LYS A 86 -41.936 10.574 23.391 1.00 72.04 O ATOM 1108 CB LYS A 86 -44.239 8.419 22.645 1.00 42.11 C ATOM 1109 CG LYS A 86 -44.475 9.499 21.605 1.00 22.53 C ATOM 1110 CD LYS A 86 -45.242 10.675 22.186 1.00 45.42 C ATOM 1111 CE LYS A 86 -45.937 11.481 21.100 1.00 62.35 C ATOM 1112 NZ LYS A 86 -44.964 12.066 20.136 1.00 70.12 N ATOM 0 H LYS A 86 -43.348 6.464 23.876 1.00 32.25 H new ATOM 0 HA LYS A 86 -42.124 8.295 22.273 1.00 55.40 H new ATOM 0 HB2 LYS A 86 -44.522 7.454 22.225 1.00 42.11 H new ATOM 0 HB3 LYS A 86 -44.893 8.599 23.498 1.00 42.11 H new ATOM 0 HG2 LYS A 86 -43.518 9.845 21.215 1.00 22.53 H new ATOM 0 HG3 LYS A 86 -45.030 9.081 20.765 1.00 22.53 H new ATOM 0 HD2 LYS A 86 -45.981 10.311 22.899 1.00 45.42 H new ATOM 0 HD3 LYS A 86 -44.558 11.320 22.737 1.00 45.42 H new ATOM 0 HE2 LYS A 86 -46.638 10.841 20.565 1.00 62.35 H new ATOM 0 HE3 LYS A 86 -46.520 12.280 21.558 1.00 62.35 H new ATOM 0 HZ1 LYS A 86 -45.466 12.690 19.472 1.00 70.12 H new ATOM 0 HZ2 LYS A 86 -44.249 12.615 20.655 1.00 70.12 H new ATOM 0 HZ3 LYS A 86 -44.497 11.302 19.607 1.00 70.12 H new ATOM 1122 N SER A 87 -42.734 9.558 25.234 1.00 14.13 N ATOM 1123 CA SER A 87 -42.458 10.690 26.111 1.00 32.31 C ATOM 1124 C SER A 87 -40.975 10.761 26.457 1.00 12.35 C ATOM 1125 O SER A 87 -40.270 11.680 26.039 1.00 22.13 O ATOM 1126 CB SER A 87 -43.287 10.583 27.392 1.00 52.32 C ATOM 1127 OG SER A 87 -43.661 11.865 27.866 1.00 42.34 O ATOM 0 H SER A 87 -43.157 8.756 25.701 1.00 14.13 H new ATOM 0 HA SER A 87 -42.734 11.603 25.583 1.00 32.31 H new ATOM 0 HB2 SER A 87 -44.180 9.987 27.202 1.00 52.32 H new ATOM 0 HB3 SER A 87 -42.713 10.062 28.158 1.00 52.32 H new ATOM 0 HG SER A 87 -44.191 11.769 28.684 1.00 42.34 H new ATOM 1132 N LYS A 88 -40.504 9.783 27.223 1.00 74.01 N ATOM 1133 CA LYS A 88 -39.104 9.731 27.625 1.00 43.41 C ATOM 1134 C LYS A 88 -38.193 9.583 26.411 1.00 32.44 C ATOM 1135 O LYS A 88 -37.359 10.449 26.138 1.00 55.14 O ATOM 1136 CB LYS A 88 -38.872 8.568 28.593 1.00 32.04 C ATOM 1137 CG LYS A 88 -37.866 8.878 29.687 1.00 52.00 C ATOM 1138 CD LYS A 88 -36.490 8.325 29.353 1.00 52.20 C ATOM 1139 CE LYS A 88 -36.436 6.816 29.537 1.00 22.30 C ATOM 1140 NZ LYS A 88 -35.405 6.188 28.665 1.00 44.43 N ATOM 0 H LYS A 88 -41.073 9.014 27.578 1.00 74.01 H new ATOM 0 HA LYS A 88 -38.862 10.668 28.127 1.00 43.41 H new ATOM 0 HB2 LYS A 88 -39.822 8.293 29.052 1.00 32.04 H new ATOM 0 HB3 LYS A 88 -38.528 7.701 28.030 1.00 32.04 H new ATOM 0 HG2 LYS A 88 -37.801 9.957 29.828 1.00 52.00 H new ATOM 0 HG3 LYS A 88 -38.210 8.454 30.630 1.00 52.00 H new ATOM 0 HD2 LYS A 88 -36.236 8.576 28.323 1.00 52.20 H new ATOM 0 HD3 LYS A 88 -35.742 8.797 29.990 1.00 52.20 H new ATOM 0 HE2 LYS A 88 -36.219 6.585 30.580 1.00 22.30 H new ATOM 0 HE3 LYS A 88 -37.412 6.387 29.312 1.00 22.30 H new ATOM 0 HZ1 LYS A 88 -35.399 5.160 28.820 1.00 44.43 H new ATOM 0 HZ2 LYS A 88 -35.625 6.387 27.668 1.00 44.43 H new ATOM 0 HZ3 LYS A 88 -34.469 6.578 28.897 1.00 44.43 H new ATOM 1150 N LEU A 89 -38.359 8.485 25.682 1.00 74.12 N ATOM 1151 CA LEU A 89 -37.553 8.225 24.494 1.00 62.42 C ATOM 1152 C LEU A 89 -37.385 9.493 23.662 1.00 63.31 C ATOM 1153 O LEU A 89 -36.268 9.883 23.325 1.00 62.02 O ATOM 1154 CB LEU A 89 -38.197 7.127 23.646 1.00 0.51 C ATOM 1155 CG LEU A 89 -37.329 6.543 22.533 1.00 35.03 C ATOM 1156 CD1 LEU A 89 -37.629 5.064 22.341 1.00 23.25 C ATOM 1157 CD2 LEU A 89 -37.544 7.305 21.233 1.00 32.10 C ATOM 0 H LEU A 89 -39.045 7.760 25.893 1.00 74.12 H new ATOM 0 HA LEU A 89 -36.567 7.892 24.820 1.00 62.42 H new ATOM 0 HB2 LEU A 89 -38.499 6.315 24.308 1.00 0.51 H new ATOM 0 HB3 LEU A 89 -39.106 7.528 23.198 1.00 0.51 H new ATOM 0 HG LEU A 89 -36.283 6.646 22.823 1.00 35.03 H new ATOM 0 HD11 LEU A 89 -37.001 4.666 21.544 1.00 23.25 H new ATOM 0 HD12 LEU A 89 -37.423 4.528 23.267 1.00 23.25 H new ATOM 0 HD13 LEU A 89 -38.678 4.937 22.074 1.00 23.25 H new ATOM 0 HD21 LEU A 89 -36.918 6.875 20.451 1.00 32.10 H new ATOM 0 HD22 LEU A 89 -38.591 7.234 20.939 1.00 32.10 H new ATOM 0 HD23 LEU A 89 -37.277 8.352 21.377 1.00 32.10 H new ATOM 1168 N ASN A 90 -38.504 10.133 23.336 1.00 13.03 N ATOM 1169 CA ASN A 90 -38.481 11.358 22.545 1.00 44.21 C ATOM 1170 C ASN A 90 -37.910 12.517 23.355 1.00 63.31 C ATOM 1171 O ASN A 90 -36.878 13.087 23.001 1.00 43.41 O ATOM 1172 CB ASN A 90 -39.891 11.703 22.061 1.00 2.42 C ATOM 1173 CG ASN A 90 -39.880 12.467 20.751 1.00 73.14 C ATOM 1174 OD1 ASN A 90 -39.857 13.697 20.737 1.00 74.51 O ATOM 1175 ND2 ASN A 90 -39.899 11.737 19.641 1.00 43.32 N ATOM 0 H ASN A 90 -39.437 9.824 23.607 1.00 13.03 H new ATOM 0 HA ASN A 90 -37.838 11.192 21.680 1.00 44.21 H new ATOM 0 HB2 ASN A 90 -40.465 10.785 21.938 1.00 2.42 H new ATOM 0 HB3 ASN A 90 -40.398 12.297 22.821 1.00 2.42 H new ATOM 0 HD21 ASN A 90 -39.895 12.195 18.729 1.00 43.32 H new ATOM 0 HD22 ASN A 90 -39.918 10.719 19.700 1.00 43.32 H new ATOM 1181 N ASP A 91 -38.589 12.862 24.444 1.00 32.01 N ATOM 1182 CA ASP A 91 -38.150 13.953 25.306 1.00 23.04 C ATOM 1183 C ASP A 91 -36.731 13.710 25.810 1.00 15.24 C ATOM 1184 O ASP A 91 -36.073 14.623 26.307 1.00 3.51 O ATOM 1185 CB ASP A 91 -39.104 14.112 26.490 1.00 64.33 C ATOM 1186 CG ASP A 91 -40.514 14.463 26.054 1.00 43.32 C ATOM 1187 OD1 ASP A 91 -40.954 13.950 25.004 1.00 44.02 O ATOM 1188 OD2 ASP A 91 -41.175 15.250 26.763 1.00 51.33 O ATOM 0 H ASP A 91 -39.446 12.401 24.751 1.00 32.01 H new ATOM 0 HA ASP A 91 -38.156 14.871 24.719 1.00 23.04 H new ATOM 0 HB2 ASP A 91 -39.124 13.185 27.064 1.00 64.33 H new ATOM 0 HB3 ASP A 91 -38.728 14.890 27.154 1.00 64.33 H new ATOM 1192 N ALA A 92 -36.266 12.471 25.678 1.00 41.04 N ATOM 1193 CA ALA A 92 -34.925 12.108 26.120 1.00 74.51 C ATOM 1194 C ALA A 92 -33.957 12.048 24.942 1.00 51.53 C ATOM 1195 O ALA A 92 -32.761 12.295 25.097 1.00 52.12 O ATOM 1196 CB ALA A 92 -34.954 10.774 26.851 1.00 14.44 C ATOM 0 H ALA A 92 -36.798 11.703 25.269 1.00 41.04 H new ATOM 0 HA ALA A 92 -34.573 12.878 26.807 1.00 74.51 H new ATOM 0 HB1 ALA A 92 -33.946 10.515 27.176 1.00 14.44 H new ATOM 0 HB2 ALA A 92 -35.607 10.850 27.720 1.00 14.44 H new ATOM 0 HB3 ALA A 92 -35.330 10.000 26.181 1.00 14.44 H new ATOM 1202 N VAL A 93 -34.482 11.718 23.767 1.00 61.13 N ATOM 1203 CA VAL A 93 -33.664 11.626 22.563 1.00 42.02 C ATOM 1204 C VAL A 93 -33.936 12.795 21.624 1.00 25.45 C ATOM 1205 O VAL A 93 -33.007 13.424 21.117 1.00 71.42 O ATOM 1206 CB VAL A 93 -33.920 10.307 21.810 1.00 64.43 C ATOM 1207 CG1 VAL A 93 -35.057 10.474 20.812 1.00 14.41 C ATOM 1208 CG2 VAL A 93 -32.653 9.836 21.114 1.00 25.12 C ATOM 0 H VAL A 93 -35.470 11.510 23.623 1.00 61.13 H new ATOM 0 HA VAL A 93 -32.623 11.656 22.884 1.00 42.02 H new ATOM 0 HB VAL A 93 -34.213 9.546 22.534 1.00 64.43 H new ATOM 0 HG11 VAL A 93 -35.224 9.532 20.289 1.00 14.41 H new ATOM 0 HG12 VAL A 93 -35.966 10.761 21.341 1.00 14.41 H new ATOM 0 HG13 VAL A 93 -34.797 11.248 20.090 1.00 14.41 H new ATOM 0 HG21 VAL A 93 -32.853 8.903 20.587 1.00 25.12 H new ATOM 0 HG22 VAL A 93 -32.327 10.593 20.401 1.00 25.12 H new ATOM 0 HG23 VAL A 93 -31.870 9.674 21.855 1.00 25.12 H new ATOM 1218 N GLU A 94 -35.213 13.082 21.398 1.00 64.34 N ATOM 1219 CA GLU A 94 -35.607 14.178 20.519 1.00 74.03 C ATOM 1220 C GLU A 94 -35.359 15.527 21.187 1.00 34.33 C ATOM 1221 O GLU A 94 -34.945 16.487 20.537 1.00 20.02 O ATOM 1222 CB GLU A 94 -37.083 14.049 20.136 1.00 51.20 C ATOM 1223 CG GLU A 94 -37.312 13.275 18.848 1.00 11.22 C ATOM 1224 CD GLU A 94 -38.365 13.913 17.964 1.00 71.34 C ATOM 1225 OE1 GLU A 94 -39.146 14.743 18.477 1.00 33.31 O ATOM 1226 OE2 GLU A 94 -38.411 13.582 16.761 1.00 22.30 O ATOM 0 H GLU A 94 -35.993 12.571 21.811 1.00 64.34 H new ATOM 0 HA GLU A 94 -34.999 14.122 19.616 1.00 74.03 H new ATOM 0 HB2 GLU A 94 -37.618 13.555 20.947 1.00 51.20 H new ATOM 0 HB3 GLU A 94 -37.511 15.046 20.032 1.00 51.20 H new ATOM 0 HG2 GLU A 94 -36.374 13.207 18.298 1.00 11.22 H new ATOM 0 HG3 GLU A 94 -37.615 12.256 19.090 1.00 11.22 H new ATOM 1231 N TYR A 95 -35.616 15.592 22.488 1.00 62.11 N ATOM 1232 CA TYR A 95 -35.425 16.824 23.245 1.00 1.32 C ATOM 1233 C TYR A 95 -33.964 16.990 23.654 1.00 42.01 C ATOM 1234 O TYR A 95 -33.399 18.079 23.555 1.00 53.10 O ATOM 1235 CB TYR A 95 -36.318 16.829 24.487 1.00 73.32 C ATOM 1236 CG TYR A 95 -35.896 17.837 25.531 1.00 52.11 C ATOM 1237 CD1 TYR A 95 -36.321 19.158 25.461 1.00 24.25 C ATOM 1238 CD2 TYR A 95 -35.074 17.469 26.588 1.00 2.54 C ATOM 1239 CE1 TYR A 95 -35.937 20.083 26.413 1.00 70.44 C ATOM 1240 CE2 TYR A 95 -34.687 18.386 27.546 1.00 20.24 C ATOM 1241 CZ TYR A 95 -35.121 19.692 27.454 1.00 24.32 C ATOM 1242 OH TYR A 95 -34.737 20.610 28.405 1.00 32.34 O ATOM 0 H TYR A 95 -35.957 14.806 23.041 1.00 62.11 H new ATOM 0 HA TYR A 95 -35.702 17.661 22.604 1.00 1.32 H new ATOM 0 HB2 TYR A 95 -37.344 17.038 24.186 1.00 73.32 H new ATOM 0 HB3 TYR A 95 -36.313 15.834 24.932 1.00 73.32 H new ATOM 0 HD1 TYR A 95 -36.962 19.467 24.649 1.00 24.25 H new ATOM 0 HD2 TYR A 95 -34.731 16.448 26.662 1.00 2.54 H new ATOM 0 HE1 TYR A 95 -36.274 21.107 26.342 1.00 70.44 H new ATOM 0 HE2 TYR A 95 -34.048 18.082 28.362 1.00 20.24 H new ATOM 0 HH TYR A 95 -34.164 20.173 29.069 1.00 32.34 H new ATOM 1251 N VAL A 96 -33.358 15.900 24.115 1.00 25.21 N ATOM 1252 CA VAL A 96 -31.963 15.923 24.538 1.00 41.32 C ATOM 1253 C VAL A 96 -31.025 15.740 23.351 1.00 32.24 C ATOM 1254 O VAL A 96 -30.284 16.652 22.986 1.00 62.55 O ATOM 1255 CB VAL A 96 -31.675 14.825 25.580 1.00 21.04 C ATOM 1256 CG1 VAL A 96 -30.363 15.101 26.298 1.00 11.24 C ATOM 1257 CG2 VAL A 96 -32.824 14.718 26.572 1.00 2.44 C ATOM 0 H VAL A 96 -33.811 14.991 24.205 1.00 25.21 H new ATOM 0 HA VAL A 96 -31.785 16.899 24.990 1.00 41.32 H new ATOM 0 HB VAL A 96 -31.583 13.871 25.061 1.00 21.04 H new ATOM 0 HG11 VAL A 96 -30.176 14.315 27.030 1.00 11.24 H new ATOM 0 HG12 VAL A 96 -29.549 15.122 25.573 1.00 11.24 H new ATOM 0 HG13 VAL A 96 -30.422 16.064 26.806 1.00 11.24 H new ATOM 0 HG21 VAL A 96 -32.604 13.938 27.301 1.00 2.44 H new ATOM 0 HG22 VAL A 96 -32.950 15.670 27.087 1.00 2.44 H new ATOM 0 HG23 VAL A 96 -33.742 14.469 26.040 1.00 2.44 H new ATOM 1267 N SER A 97 -31.063 14.554 22.751 1.00 30.14 N ATOM 1268 CA SER A 97 -30.214 14.249 21.606 1.00 22.33 C ATOM 1269 C SER A 97 -30.514 15.189 20.441 1.00 42.54 C ATOM 1270 O SER A 97 -29.703 15.345 19.530 1.00 23.33 O ATOM 1271 CB SER A 97 -30.412 12.797 21.168 1.00 32.01 C ATOM 1272 OG SER A 97 -30.888 12.727 19.835 1.00 55.22 O ATOM 0 H SER A 97 -31.673 13.789 23.039 1.00 30.14 H new ATOM 0 HA SER A 97 -29.176 14.391 21.908 1.00 22.33 H new ATOM 0 HB2 SER A 97 -29.468 12.257 21.249 1.00 32.01 H new ATOM 0 HB3 SER A 97 -31.119 12.305 21.836 1.00 32.01 H new ATOM 0 HG SER A 97 -31.841 12.956 19.815 1.00 55.22 H new ATOM 1277 N GLY A 98 -31.688 15.812 20.481 1.00 32.42 N ATOM 1278 CA GLY A 98 -32.077 16.728 19.424 1.00 22.04 C ATOM 1279 C GLY A 98 -31.611 18.147 19.687 1.00 73.44 C ATOM 1280 O GLY A 98 -31.480 18.946 18.759 1.00 15.23 O ATOM 0 H GLY A 98 -32.376 15.699 21.225 1.00 32.42 H new ATOM 0 HA2 GLY A 98 -31.663 16.382 18.477 1.00 22.04 H new ATOM 0 HA3 GLY A 98 -33.162 16.718 19.320 1.00 22.04 H new ATOM 1283 N ARG A 99 -31.364 18.462 20.953 1.00 40.32 N ATOM 1284 CA ARG A 99 -30.915 19.795 21.336 1.00 35.01 C ATOM 1285 C ARG A 99 -29.397 19.910 21.223 1.00 52.01 C ATOM 1286 O ARG A 99 -28.871 20.945 20.812 1.00 41.43 O ATOM 1287 CB ARG A 99 -31.356 20.115 22.765 1.00 70.31 C ATOM 1288 CG ARG A 99 -32.714 20.795 22.845 1.00 54.21 C ATOM 1289 CD ARG A 99 -32.575 22.294 23.056 1.00 1.33 C ATOM 1290 NE ARG A 99 -32.164 22.983 21.835 1.00 63.22 N ATOM 1291 CZ ARG A 99 -31.714 24.232 21.813 1.00 45.11 C ATOM 1292 NH1 ARG A 99 -31.615 24.926 22.939 1.00 12.52 N ATOM 1293 NH2 ARG A 99 -31.360 24.791 20.662 1.00 44.14 N ATOM 0 H ARG A 99 -31.467 17.812 21.732 1.00 40.32 H new ATOM 0 HA ARG A 99 -31.369 20.514 20.654 1.00 35.01 H new ATOM 0 HB2 ARG A 99 -31.387 19.191 23.342 1.00 70.31 H new ATOM 0 HB3 ARG A 99 -30.609 20.757 23.232 1.00 70.31 H new ATOM 0 HG2 ARG A 99 -33.271 20.606 21.928 1.00 54.21 H new ATOM 0 HG3 ARG A 99 -33.291 20.363 23.663 1.00 54.21 H new ATOM 0 HD2 ARG A 99 -33.526 22.701 23.400 1.00 1.33 H new ATOM 0 HD3 ARG A 99 -31.844 22.483 23.842 1.00 1.33 H new ATOM 0 HE ARG A 99 -32.226 22.477 20.951 1.00 63.22 H new ATOM 0 HH11 ARG A 99 -31.885 24.500 23.826 1.00 12.52 H new ATOM 0 HH12 ARG A 99 -31.269 25.885 22.918 1.00 12.52 H new ATOM 0 HH21 ARG A 99 -31.434 24.261 19.794 1.00 44.14 H new ATOM 0 HH22 ARG A 99 -31.014 25.751 20.646 1.00 44.14 H new ATOM 1304 N VAL A 100 -28.699 18.840 21.591 1.00 21.54 N ATOM 1305 CA VAL A 100 -27.242 18.820 21.530 1.00 64.04 C ATOM 1306 C VAL A 100 -26.753 18.746 20.088 1.00 52.41 C ATOM 1307 O VAL A 100 -25.707 19.299 19.747 1.00 13.35 O ATOM 1308 CB VAL A 100 -26.664 17.630 22.319 1.00 43.12 C ATOM 1309 CG1 VAL A 100 -26.923 16.325 21.582 1.00 5.31 C ATOM 1310 CG2 VAL A 100 -25.176 17.828 22.566 1.00 13.20 C ATOM 0 H VAL A 100 -29.119 17.976 21.934 1.00 21.54 H new ATOM 0 HA VAL A 100 -26.893 19.749 21.981 1.00 64.04 H new ATOM 0 HB VAL A 100 -27.165 17.578 23.286 1.00 43.12 H new ATOM 0 HG11 VAL A 100 -26.508 15.495 22.154 1.00 5.31 H new ATOM 0 HG12 VAL A 100 -27.997 16.182 21.462 1.00 5.31 H new ATOM 0 HG13 VAL A 100 -26.450 16.361 20.601 1.00 5.31 H new ATOM 0 HG21 VAL A 100 -24.784 16.978 23.125 1.00 13.20 H new ATOM 0 HG22 VAL A 100 -24.656 17.906 21.611 1.00 13.20 H new ATOM 0 HG23 VAL A 100 -25.021 18.742 23.139 1.00 13.20 H new ATOM 1320 N HIS A 101 -27.516 18.058 19.245 1.00 20.15 N ATOM 1321 CA HIS A 101 -27.160 17.912 17.838 1.00 64.11 C ATOM 1322 C HIS A 101 -26.898 19.273 17.200 1.00 52.32 C ATOM 1323 O HIS A 101 -26.080 19.395 16.289 1.00 4.01 O ATOM 1324 CB HIS A 101 -28.274 17.188 17.081 1.00 43.41 C ATOM 1325 CG HIS A 101 -28.070 15.707 16.989 1.00 73.30 C ATOM 1326 ND1 HIS A 101 -28.836 14.890 16.183 1.00 44.14 N ATOM 1327 CD2 HIS A 101 -27.179 14.895 17.604 1.00 4.01 C ATOM 1328 CE1 HIS A 101 -28.425 13.641 16.309 1.00 64.33 C ATOM 1329 NE2 HIS A 101 -27.420 13.617 17.166 1.00 21.32 N ATOM 0 H HIS A 101 -28.384 17.593 19.511 1.00 20.15 H new ATOM 0 HA HIS A 101 -26.246 17.320 17.779 1.00 64.11 H new ATOM 0 HB2 HIS A 101 -29.226 17.386 17.575 1.00 43.41 H new ATOM 0 HB3 HIS A 101 -28.345 17.600 16.074 1.00 43.41 H new ATOM 0 HD2 HIS A 101 -26.419 15.197 18.309 1.00 4.01 H new ATOM 0 HE1 HIS A 101 -28.840 12.785 15.798 1.00 64.33 H new ATOM 0 HE2 HIS A 101 -26.907 12.784 17.455 1.00 21.32 H new