USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=13 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+ 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 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -161:sc= -0.154 (180deg=-0.552) 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=0.032) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.874 K(o=-0.87,f=-1.9) USER MOD Single : A 57 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.0022) 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+ -128:sc= -0.151 (180deg=-0.724) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.325 F(o=-1.8,f=-0.32) USER MOD Single : A 77 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.2) 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+ 158:sc= -0.0281 (180deg=-0.224) USER MOD Single : A 87 SER OG : rot -26:sc= 0.118 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -4.48! C(o=-4.5!,f=-6.3!) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -74:sc= 0.991 USER MOD Single : A 101 HIS : no HD1:sc= -0.237 X(o=-0.24,f=-0.084) USER MOD ----------------------------------------------------------------- ATOM 280 N LYS A 23 -6.358 32.080 16.961 1.00 62.24 N ATOM 281 CA LYS A 23 -7.539 31.406 16.432 1.00 61.33 C ATOM 282 C LYS A 23 -7.313 30.964 14.990 1.00 72.21 C ATOM 283 O LYS A 23 -7.130 29.778 14.715 1.00 5.50 O ATOM 284 CB LYS A 23 -8.756 32.330 16.509 1.00 13.22 C ATOM 285 CG LYS A 23 -8.428 33.791 16.255 1.00 34.24 C ATOM 286 CD LYS A 23 -8.605 34.629 17.511 1.00 13.22 C ATOM 287 CE LYS A 23 -7.323 34.688 18.328 1.00 24.35 C ATOM 288 NZ LYS A 23 -7.473 35.550 19.532 1.00 11.22 N ATOM 0 HA LYS A 23 -7.724 30.520 17.040 1.00 61.33 H new ATOM 0 HB2 LYS A 23 -9.498 32.001 15.781 1.00 13.22 H new ATOM 0 HB3 LYS A 23 -9.212 32.235 17.494 1.00 13.22 H new ATOM 0 HG2 LYS A 23 -7.401 33.878 15.900 1.00 34.24 H new ATOM 0 HG3 LYS A 23 -9.072 34.177 15.465 1.00 34.24 H new ATOM 0 HD2 LYS A 23 -8.909 35.639 17.236 1.00 13.22 H new ATOM 0 HD3 LYS A 23 -9.406 34.210 18.119 1.00 13.22 H new ATOM 0 HE2 LYS A 23 -7.041 33.681 18.635 1.00 24.35 H new ATOM 0 HE3 LYS A 23 -6.513 35.070 17.706 1.00 24.35 H new ATOM 0 HZ1 LYS A 23 -6.578 35.564 20.062 1.00 11.22 H new ATOM 0 HZ2 LYS A 23 -7.717 36.517 19.238 1.00 11.22 H new ATOM 0 HZ3 LYS A 23 -8.229 35.171 20.138 1.00 11.22 H new ATOM 298 N SER A 24 -7.325 31.926 14.072 1.00 63.24 N ATOM 299 CA SER A 24 -7.124 31.636 12.657 1.00 51.35 C ATOM 300 C SER A 24 -5.963 30.666 12.462 1.00 2.14 C ATOM 301 O SER A 24 -5.933 29.900 11.497 1.00 3.34 O ATOM 302 CB SER A 24 -6.862 32.927 11.882 1.00 1.12 C ATOM 303 OG SER A 24 -7.209 32.781 10.516 1.00 24.34 O ATOM 0 H SER A 24 -7.472 32.913 14.283 1.00 63.24 H new ATOM 0 HA SER A 24 -8.032 31.170 12.274 1.00 51.35 H new ATOM 0 HB2 SER A 24 -7.437 33.742 12.322 1.00 1.12 H new ATOM 0 HB3 SER A 24 -5.810 33.198 11.966 1.00 1.12 H new ATOM 0 HG SER A 24 -7.034 33.621 10.042 1.00 24.34 H new ATOM 308 N TYR A 25 -5.006 30.705 13.383 1.00 23.11 N ATOM 309 CA TYR A 25 -3.840 29.833 13.312 1.00 23.22 C ATOM 310 C TYR A 25 -4.100 28.516 14.034 1.00 55.53 C ATOM 311 O TYR A 25 -3.984 27.439 13.448 1.00 22.13 O ATOM 312 CB TYR A 25 -2.620 30.528 13.918 1.00 13.12 C ATOM 313 CG TYR A 25 -2.231 31.803 13.206 1.00 64.54 C ATOM 314 CD1 TYR A 25 -3.095 32.892 13.168 1.00 62.42 C ATOM 315 CD2 TYR A 25 -1.003 31.919 12.567 1.00 12.35 C ATOM 316 CE1 TYR A 25 -2.745 34.059 12.516 1.00 20.00 C ATOM 317 CE2 TYR A 25 -0.644 33.083 11.915 1.00 32.24 C ATOM 318 CZ TYR A 25 -1.518 34.149 11.892 1.00 4.35 C ATOM 319 OH TYR A 25 -1.165 35.310 11.242 1.00 61.02 O ATOM 0 H TYR A 25 -5.015 31.332 14.188 1.00 23.11 H new ATOM 0 HA TYR A 25 -3.643 29.617 12.262 1.00 23.22 H new ATOM 0 HB2 TYR A 25 -2.825 30.755 14.964 1.00 13.12 H new ATOM 0 HB3 TYR A 25 -1.775 29.840 13.900 1.00 13.12 H new ATOM 0 HD1 TYR A 25 -4.056 32.825 13.656 1.00 62.42 H new ATOM 0 HD2 TYR A 25 -0.317 31.085 12.580 1.00 12.35 H new ATOM 0 HE1 TYR A 25 -3.428 34.895 12.495 1.00 20.00 H new ATOM 0 HE2 TYR A 25 0.316 33.157 11.426 1.00 32.24 H new ATOM 0 HH TYR A 25 -0.270 35.210 10.857 1.00 61.02 H new ATOM 328 N ALA A 26 -4.454 28.608 15.312 1.00 41.23 N ATOM 329 CA ALA A 26 -4.735 27.424 16.115 1.00 4.13 C ATOM 330 C ALA A 26 -6.056 26.784 15.706 1.00 2.30 C ATOM 331 O ALA A 26 -6.126 25.577 15.472 1.00 11.12 O ATOM 332 CB ALA A 26 -4.755 27.783 17.594 1.00 31.51 C ATOM 0 H ALA A 26 -4.553 29.491 15.814 1.00 41.23 H new ATOM 0 HA ALA A 26 -3.941 26.698 15.939 1.00 4.13 H new ATOM 0 HB1 ALA A 26 -4.966 26.890 18.182 1.00 31.51 H new ATOM 0 HB2 ALA A 26 -3.785 28.188 17.883 1.00 31.51 H new ATOM 0 HB3 ALA A 26 -5.528 28.529 17.777 1.00 31.51 H new ATOM 338 N GLU A 27 -7.103 27.599 15.622 1.00 1.10 N ATOM 339 CA GLU A 27 -8.423 27.110 15.242 1.00 61.35 C ATOM 340 C GLU A 27 -8.348 26.275 13.967 1.00 65.20 C ATOM 341 O GLU A 27 -8.758 25.115 13.947 1.00 33.13 O ATOM 342 CB GLU A 27 -9.388 28.281 15.042 1.00 15.31 C ATOM 343 CG GLU A 27 -10.833 27.852 14.853 1.00 1.43 C ATOM 344 CD GLU A 27 -11.709 28.219 16.036 1.00 41.10 C ATOM 345 OE1 GLU A 27 -12.134 29.390 16.121 1.00 34.05 O ATOM 346 OE2 GLU A 27 -11.971 27.333 16.877 1.00 3.21 O ATOM 0 H GLU A 27 -7.063 28.600 15.812 1.00 1.10 H new ATOM 0 HA GLU A 27 -8.793 26.477 16.049 1.00 61.35 H new ATOM 0 HB2 GLU A 27 -9.325 28.945 15.904 1.00 15.31 H new ATOM 0 HB3 GLU A 27 -9.072 28.857 14.172 1.00 15.31 H new ATOM 0 HG2 GLU A 27 -11.232 28.318 13.952 1.00 1.43 H new ATOM 0 HG3 GLU A 27 -10.871 26.774 14.698 1.00 1.43 H new ATOM 351 N GLN A 28 -7.823 26.876 12.904 1.00 62.43 N ATOM 352 CA GLN A 28 -7.695 26.190 11.624 1.00 53.15 C ATOM 353 C GLN A 28 -7.081 24.805 11.807 1.00 22.02 C ATOM 354 O GLN A 28 -7.441 23.858 11.110 1.00 10.44 O ATOM 355 CB GLN A 28 -6.842 27.016 10.660 1.00 30.50 C ATOM 356 CG GLN A 28 -7.658 27.805 9.649 1.00 32.01 C ATOM 357 CD GLN A 28 -6.912 28.037 8.350 1.00 20.34 C ATOM 358 OE1 GLN A 28 -7.422 27.747 7.268 1.00 71.11 O ATOM 359 NE2 GLN A 28 -5.696 28.561 8.451 1.00 5.34 N ATOM 0 H GLN A 28 -7.480 27.836 12.904 1.00 62.43 H new ATOM 0 HA GLN A 28 -8.694 26.072 11.203 1.00 53.15 H new ATOM 0 HB2 GLN A 28 -6.225 27.707 11.235 1.00 30.50 H new ATOM 0 HB3 GLN A 28 -6.163 26.350 10.127 1.00 30.50 H new ATOM 0 HG2 GLN A 28 -8.585 27.271 9.441 1.00 32.01 H new ATOM 0 HG3 GLN A 28 -7.934 28.767 10.082 1.00 32.01 H new ATOM 0 HE21 GLN A 28 -5.312 28.786 9.369 1.00 5.34 H new ATOM 0 HE22 GLN A 28 -5.146 28.738 7.611 1.00 5.34 H new ATOM 366 N GLY A 29 -6.150 24.697 12.751 1.00 4.03 N ATOM 367 CA GLY A 29 -5.500 23.426 13.009 1.00 32.11 C ATOM 368 C GLY A 29 -6.397 22.456 13.752 1.00 62.22 C ATOM 369 O GLY A 29 -6.467 21.275 13.408 1.00 62.13 O ATOM 0 H GLY A 29 -5.835 25.467 13.341 1.00 4.03 H new ATOM 0 HA2 GLY A 29 -5.193 22.980 12.063 1.00 32.11 H new ATOM 0 HA3 GLY A 29 -4.594 23.596 13.590 1.00 32.11 H new ATOM 372 N LYS A 30 -7.085 22.953 14.773 1.00 13.30 N ATOM 373 CA LYS A 30 -7.983 22.123 15.569 1.00 31.30 C ATOM 374 C LYS A 30 -9.179 21.667 14.740 1.00 43.14 C ATOM 375 O LYS A 30 -9.494 20.479 14.689 1.00 62.13 O ATOM 376 CB LYS A 30 -8.465 22.892 16.801 1.00 53.13 C ATOM 377 CG LYS A 30 -7.857 22.397 18.103 1.00 65.11 C ATOM 378 CD LYS A 30 -7.512 23.550 19.030 1.00 33.33 C ATOM 379 CE LYS A 30 -6.374 24.392 18.473 1.00 71.35 C ATOM 380 NZ LYS A 30 -5.181 23.564 18.143 1.00 54.41 N ATOM 0 H LYS A 30 -7.039 23.928 15.070 1.00 13.30 H new ATOM 0 HA LYS A 30 -7.431 21.241 15.893 1.00 31.30 H new ATOM 0 HB2 LYS A 30 -8.226 23.948 16.676 1.00 53.13 H new ATOM 0 HB3 LYS A 30 -9.551 22.816 16.865 1.00 53.13 H new ATOM 0 HG2 LYS A 30 -8.557 21.726 18.601 1.00 65.11 H new ATOM 0 HG3 LYS A 30 -6.958 21.819 17.889 1.00 65.11 H new ATOM 0 HD2 LYS A 30 -8.392 24.177 19.176 1.00 33.33 H new ATOM 0 HD3 LYS A 30 -7.232 23.160 20.009 1.00 33.33 H new ATOM 0 HE2 LYS A 30 -6.713 24.914 17.578 1.00 71.35 H new ATOM 0 HE3 LYS A 30 -6.097 25.155 19.201 1.00 71.35 H new ATOM 0 HZ1 LYS A 30 -4.342 24.175 18.078 1.00 54.41 H new ATOM 0 HZ2 LYS A 30 -5.035 22.853 18.888 1.00 54.41 H new ATOM 0 HZ3 LYS A 30 -5.332 23.085 17.232 1.00 54.41 H new ATOM 390 N GLU A 31 -9.842 22.620 14.092 1.00 4.04 N ATOM 391 CA GLU A 31 -11.003 22.316 13.265 1.00 62.02 C ATOM 392 C GLU A 31 -10.733 21.110 12.370 1.00 12.11 C ATOM 393 O GLU A 31 -11.652 20.380 11.999 1.00 54.12 O ATOM 394 CB GLU A 31 -11.379 23.527 12.408 1.00 3.11 C ATOM 395 CG GLU A 31 -10.325 23.894 11.378 1.00 13.22 C ATOM 396 CD GLU A 31 -10.858 24.823 10.303 1.00 75.22 C ATOM 397 OE1 GLU A 31 -11.155 25.992 10.623 1.00 24.32 O ATOM 398 OE2 GLU A 31 -10.977 24.378 9.143 1.00 73.41 O ATOM 0 H GLU A 31 -9.594 23.609 14.124 1.00 4.04 H new ATOM 0 HA GLU A 31 -11.835 22.077 13.927 1.00 62.02 H new ATOM 0 HB2 GLU A 31 -12.319 23.321 11.896 1.00 3.11 H new ATOM 0 HB3 GLU A 31 -11.552 24.383 13.060 1.00 3.11 H new ATOM 0 HG2 GLU A 31 -9.483 24.370 11.880 1.00 13.22 H new ATOM 0 HG3 GLU A 31 -9.946 22.985 10.912 1.00 13.22 H new ATOM 403 N TYR A 32 -9.465 20.909 12.026 1.00 42.44 N ATOM 404 CA TYR A 32 -9.074 19.794 11.172 1.00 22.24 C ATOM 405 C TYR A 32 -9.087 18.481 11.950 1.00 61.15 C ATOM 406 O TYR A 32 -9.440 17.432 11.410 1.00 31.11 O ATOM 407 CB TYR A 32 -7.682 20.038 10.586 1.00 64.03 C ATOM 408 CG TYR A 32 -6.954 18.769 10.205 1.00 63.11 C ATOM 409 CD1 TYR A 32 -6.351 17.974 11.172 1.00 73.01 C ATOM 410 CD2 TYR A 32 -6.868 18.365 8.878 1.00 43.31 C ATOM 411 CE1 TYR A 32 -5.685 16.813 10.828 1.00 0.34 C ATOM 412 CE2 TYR A 32 -6.205 17.206 8.526 1.00 21.24 C ATOM 413 CZ TYR A 32 -5.614 16.434 9.505 1.00 43.12 C ATOM 414 OH TYR A 32 -4.951 15.279 9.157 1.00 1.14 O ATOM 0 H TYR A 32 -8.692 21.503 12.325 1.00 42.44 H new ATOM 0 HA TYR A 32 -9.796 19.721 10.359 1.00 22.24 H new ATOM 0 HB2 TYR A 32 -7.774 20.672 9.704 1.00 64.03 H new ATOM 0 HB3 TYR A 32 -7.082 20.587 11.312 1.00 64.03 H new ATOM 0 HD1 TYR A 32 -6.404 18.268 12.210 1.00 73.01 H new ATOM 0 HD2 TYR A 32 -7.328 18.968 8.109 1.00 43.31 H new ATOM 0 HE1 TYR A 32 -5.223 16.206 11.592 1.00 0.34 H new ATOM 0 HE2 TYR A 32 -6.149 16.905 7.490 1.00 21.24 H new ATOM 0 HH TYR A 32 -4.995 15.156 8.186 1.00 1.14 H new ATOM 423 N ILE A 33 -8.701 18.549 13.219 1.00 35.01 N ATOM 424 CA ILE A 33 -8.670 17.367 14.071 1.00 13.54 C ATOM 425 C ILE A 33 -9.976 17.213 14.844 1.00 74.32 C ATOM 426 O ILE A 33 -10.667 16.201 14.720 1.00 43.31 O ATOM 427 CB ILE A 33 -7.499 17.425 15.071 1.00 42.23 C ATOM 428 CG1 ILE A 33 -7.893 16.759 16.390 1.00 51.33 C ATOM 429 CG2 ILE A 33 -7.073 18.867 15.305 1.00 34.10 C ATOM 430 CD1 ILE A 33 -6.788 16.764 17.424 1.00 31.30 C ATOM 0 H ILE A 33 -8.405 19.410 13.680 1.00 35.01 H new ATOM 0 HA ILE A 33 -8.535 16.507 13.414 1.00 13.54 H new ATOM 0 HB ILE A 33 -6.653 16.881 14.650 1.00 42.23 H new ATOM 0 HG12 ILE A 33 -8.765 17.270 16.799 1.00 51.33 H new ATOM 0 HG13 ILE A 33 -8.190 15.729 16.193 1.00 51.33 H new ATOM 0 HG21 ILE A 33 -6.245 18.891 16.014 1.00 34.10 H new ATOM 0 HG22 ILE A 33 -6.756 19.310 14.361 1.00 34.10 H new ATOM 0 HG23 ILE A 33 -7.912 19.434 15.708 1.00 34.10 H new ATOM 0 HD11 ILE A 33 -7.138 16.276 18.333 1.00 31.30 H new ATOM 0 HD12 ILE A 33 -5.923 16.228 17.034 1.00 31.30 H new ATOM 0 HD13 ILE A 33 -6.506 17.792 17.650 1.00 31.30 H new ATOM 441 N THR A 34 -10.308 18.223 15.642 1.00 34.41 N ATOM 442 CA THR A 34 -11.531 18.200 16.435 1.00 74.42 C ATOM 443 C THR A 34 -12.671 17.537 15.669 1.00 24.43 C ATOM 444 O THR A 34 -13.383 16.691 16.207 1.00 32.31 O ATOM 445 CB THR A 34 -11.960 19.621 16.845 1.00 41.05 C ATOM 446 OG1 THR A 34 -13.270 19.588 17.424 1.00 43.50 O ATOM 447 CG2 THR A 34 -11.954 20.556 15.645 1.00 0.12 C ATOM 0 H THR A 34 -9.747 19.067 15.756 1.00 34.41 H new ATOM 0 HA THR A 34 -11.316 17.620 17.333 1.00 74.42 H new ATOM 0 HB THR A 34 -11.247 19.995 17.580 1.00 41.05 H new ATOM 0 HG1 THR A 34 -13.536 20.495 17.684 1.00 43.50 H new ATOM 0 HG21 THR A 34 -12.260 21.554 15.960 1.00 0.12 H new ATOM 0 HG22 THR A 34 -10.950 20.601 15.224 1.00 0.12 H new ATOM 0 HG23 THR A 34 -12.648 20.184 14.891 1.00 0.12 H new ATOM 604 N PRO A 46 -14.223 -1.016 19.395 1.00 41.13 N ATOM 605 CA PRO A 46 -14.374 -2.265 18.642 1.00 71.52 C ATOM 606 C PRO A 46 -15.623 -3.041 19.048 1.00 4.15 C ATOM 607 O PRO A 46 -16.068 -3.935 18.331 1.00 65.24 O ATOM 608 CB PRO A 46 -13.113 -3.053 19.006 1.00 43.33 C ATOM 609 CG PRO A 46 -12.705 -2.521 20.336 1.00 13.55 C ATOM 610 CD PRO A 46 -13.094 -1.069 20.338 1.00 4.43 C ATOM 0 HA PRO A 46 -14.487 -2.085 17.573 1.00 71.52 H new ATOM 0 HB2 PRO A 46 -13.315 -4.123 19.053 1.00 43.33 H new ATOM 0 HB3 PRO A 46 -12.328 -2.908 18.264 1.00 43.33 H new ATOM 0 HG2 PRO A 46 -13.204 -3.060 21.142 1.00 13.55 H new ATOM 0 HG3 PRO A 46 -11.632 -2.638 20.491 1.00 13.55 H new ATOM 0 HD2 PRO A 46 -13.386 -0.733 21.333 1.00 4.43 H new ATOM 0 HD3 PRO A 46 -12.271 -0.432 20.015 1.00 4.43 H new ATOM 615 N GLU A 47 -16.181 -2.691 20.203 1.00 70.43 N ATOM 616 CA GLU A 47 -17.379 -3.356 20.703 1.00 30.43 C ATOM 617 C GLU A 47 -18.639 -2.650 20.210 1.00 33.53 C ATOM 618 O GLU A 47 -19.756 -3.055 20.533 1.00 22.43 O ATOM 619 CB GLU A 47 -17.367 -3.393 22.233 1.00 21.15 C ATOM 620 CG GLU A 47 -16.057 -3.889 22.820 1.00 11.05 C ATOM 621 CD GLU A 47 -16.192 -4.321 24.267 1.00 63.24 C ATOM 622 OE1 GLU A 47 -17.315 -4.238 24.807 1.00 43.12 O ATOM 623 OE2 GLU A 47 -15.176 -4.741 24.859 1.00 11.11 O ATOM 0 H GLU A 47 -15.824 -1.952 20.809 1.00 70.43 H new ATOM 0 HA GLU A 47 -17.383 -4.377 20.322 1.00 30.43 H new ATOM 0 HB2 GLU A 47 -17.570 -2.392 22.614 1.00 21.15 H new ATOM 0 HB3 GLU A 47 -18.177 -4.036 22.579 1.00 21.15 H new ATOM 0 HG2 GLU A 47 -15.692 -4.728 22.227 1.00 11.05 H new ATOM 0 HG3 GLU A 47 -15.309 -3.099 22.749 1.00 11.05 H new ATOM 628 N ASP A 48 -18.450 -1.594 19.426 1.00 11.32 N ATOM 629 CA ASP A 48 -19.571 -0.832 18.888 1.00 14.12 C ATOM 630 C ASP A 48 -20.249 -1.591 17.752 1.00 31.04 C ATOM 631 O ASP A 48 -21.266 -1.152 17.219 1.00 42.05 O ATOM 632 CB ASP A 48 -19.094 0.534 18.392 1.00 31.14 C ATOM 633 CG ASP A 48 -18.572 0.484 16.970 1.00 33.41 C ATOM 634 OD1 ASP A 48 -17.821 -0.461 16.646 1.00 54.11 O ATOM 635 OD2 ASP A 48 -18.913 1.389 16.180 1.00 15.01 O ATOM 0 H ASP A 48 -17.532 -1.247 19.149 1.00 11.32 H new ATOM 0 HA ASP A 48 -20.297 -0.687 19.688 1.00 14.12 H new ATOM 0 HB2 ASP A 48 -19.918 1.246 18.449 1.00 31.14 H new ATOM 0 HB3 ASP A 48 -18.308 0.903 19.052 1.00 31.14 H new ATOM 639 N ASN A 49 -19.675 -2.733 17.386 1.00 41.12 N ATOM 640 CA ASN A 49 -20.222 -3.553 16.311 1.00 44.14 C ATOM 641 C ASN A 49 -21.674 -3.925 16.597 1.00 43.15 C ATOM 642 O ASN A 49 -22.460 -4.159 15.678 1.00 0.33 O ATOM 643 CB ASN A 49 -19.386 -4.821 16.131 1.00 11.52 C ATOM 644 CG ASN A 49 -19.264 -5.232 14.677 1.00 32.44 C ATOM 645 OD1 ASN A 49 -20.248 -5.608 14.042 1.00 40.35 O ATOM 646 ND2 ASN A 49 -18.050 -5.162 14.143 1.00 50.13 N ATOM 0 H ASN A 49 -18.832 -3.111 17.818 1.00 41.12 H new ATOM 0 HA ASN A 49 -20.188 -2.970 15.390 1.00 44.14 H new ATOM 0 HB2 ASN A 49 -18.391 -4.658 16.544 1.00 11.52 H new ATOM 0 HB3 ASN A 49 -19.838 -5.634 16.699 1.00 11.52 H new ATOM 0 HD21 ASN A 49 -17.906 -5.426 13.168 1.00 50.13 H new ATOM 0 HD22 ASN A 49 -17.262 -4.844 14.707 1.00 50.13 H new ATOM 652 N LYS A 50 -22.025 -3.978 17.878 1.00 31.32 N ATOM 653 CA LYS A 50 -23.383 -4.319 18.287 1.00 71.21 C ATOM 654 C LYS A 50 -24.213 -3.061 18.522 1.00 32.14 C ATOM 655 O LYS A 50 -25.372 -2.987 18.120 1.00 45.30 O ATOM 656 CB LYS A 50 -23.355 -5.170 19.558 1.00 73.12 C ATOM 657 CG LYS A 50 -23.835 -6.596 19.346 1.00 40.21 C ATOM 658 CD LYS A 50 -22.702 -7.595 19.506 1.00 73.43 C ATOM 659 CE LYS A 50 -23.201 -9.028 19.384 1.00 5.05 C ATOM 660 NZ LYS A 50 -23.196 -9.497 17.971 1.00 64.02 N ATOM 0 H LYS A 50 -21.387 -3.789 18.651 1.00 31.32 H new ATOM 0 HA LYS A 50 -23.845 -4.892 17.483 1.00 71.21 H new ATOM 0 HB2 LYS A 50 -22.337 -5.192 19.948 1.00 73.12 H new ATOM 0 HB3 LYS A 50 -23.977 -4.695 20.317 1.00 73.12 H new ATOM 0 HG2 LYS A 50 -24.626 -6.824 20.060 1.00 40.21 H new ATOM 0 HG3 LYS A 50 -24.267 -6.691 18.350 1.00 40.21 H new ATOM 0 HD2 LYS A 50 -21.941 -7.408 18.749 1.00 73.43 H new ATOM 0 HD3 LYS A 50 -22.227 -7.455 20.477 1.00 73.43 H new ATOM 0 HE2 LYS A 50 -22.573 -9.684 19.987 1.00 5.05 H new ATOM 0 HE3 LYS A 50 -24.212 -9.096 19.786 1.00 5.05 H new ATOM 0 HZ1 LYS A 50 -23.542 -10.477 17.929 1.00 64.02 H new ATOM 0 HZ2 LYS A 50 -23.815 -8.886 17.400 1.00 64.02 H new ATOM 0 HZ3 LYS A 50 -22.227 -9.456 17.595 1.00 64.02 H new ATOM 670 N GLY A 51 -23.609 -2.072 19.175 1.00 74.22 N ATOM 671 CA GLY A 51 -24.306 -0.831 19.451 1.00 41.52 C ATOM 672 C GLY A 51 -24.933 -0.230 18.209 1.00 4.20 C ATOM 673 O GLY A 51 -25.894 0.536 18.298 1.00 63.12 O ATOM 0 H GLY A 51 -22.649 -2.109 19.517 1.00 74.22 H new ATOM 0 HA2 GLY A 51 -25.082 -1.011 20.195 1.00 41.52 H new ATOM 0 HA3 GLY A 51 -23.608 -0.115 19.885 1.00 41.52 H new ATOM 676 N VAL A 52 -24.388 -0.574 17.046 1.00 51.43 N ATOM 677 CA VAL A 52 -24.899 -0.063 15.780 1.00 52.30 C ATOM 678 C VAL A 52 -26.217 -0.735 15.409 1.00 31.34 C ATOM 679 O VAL A 52 -27.129 -0.090 14.890 1.00 54.05 O ATOM 680 CB VAL A 52 -23.888 -0.275 14.640 1.00 34.15 C ATOM 681 CG1 VAL A 52 -22.611 0.508 14.906 1.00 2.14 C ATOM 682 CG2 VAL A 52 -23.586 -1.756 14.463 1.00 51.42 C ATOM 0 H VAL A 52 -23.592 -1.205 16.955 1.00 51.43 H new ATOM 0 HA VAL A 52 -25.064 1.006 15.913 1.00 52.30 H new ATOM 0 HB VAL A 52 -24.329 0.096 13.715 1.00 34.15 H new ATOM 0 HG11 VAL A 52 -21.908 0.346 14.089 1.00 2.14 H new ATOM 0 HG12 VAL A 52 -22.844 1.570 14.979 1.00 2.14 H new ATOM 0 HG13 VAL A 52 -22.165 0.170 15.841 1.00 2.14 H new ATOM 0 HG21 VAL A 52 -22.869 -1.887 13.652 1.00 51.42 H new ATOM 0 HG22 VAL A 52 -23.166 -2.155 15.387 1.00 51.42 H new ATOM 0 HG23 VAL A 52 -24.506 -2.289 14.223 1.00 51.42 H new ATOM 692 N PHE A 53 -26.308 -2.032 15.676 1.00 74.22 N ATOM 693 CA PHE A 53 -27.514 -2.793 15.369 1.00 71.43 C ATOM 694 C PHE A 53 -28.484 -2.774 16.547 1.00 43.13 C ATOM 695 O PHE A 53 -29.598 -3.291 16.455 1.00 35.33 O ATOM 696 CB PHE A 53 -27.155 -4.238 15.013 1.00 4.31 C ATOM 697 CG PHE A 53 -26.283 -4.355 13.795 1.00 71.00 C ATOM 698 CD1 PHE A 53 -26.810 -4.161 12.528 1.00 12.04 C ATOM 699 CD2 PHE A 53 -24.938 -4.662 13.918 1.00 24.50 C ATOM 700 CE1 PHE A 53 -26.011 -4.268 11.406 1.00 74.32 C ATOM 701 CE2 PHE A 53 -24.133 -4.771 12.799 1.00 24.02 C ATOM 702 CZ PHE A 53 -24.670 -4.575 11.541 1.00 44.40 C ATOM 0 H PHE A 53 -25.562 -2.579 16.104 1.00 74.22 H new ATOM 0 HA PHE A 53 -28.000 -2.325 14.513 1.00 71.43 H new ATOM 0 HB2 PHE A 53 -26.646 -4.697 15.860 1.00 4.31 H new ATOM 0 HB3 PHE A 53 -28.073 -4.802 14.849 1.00 4.31 H new ATOM 0 HD1 PHE A 53 -27.858 -3.923 12.416 1.00 12.04 H new ATOM 0 HD2 PHE A 53 -24.513 -4.818 14.899 1.00 24.50 H new ATOM 0 HE1 PHE A 53 -26.434 -4.112 10.424 1.00 74.32 H new ATOM 0 HE2 PHE A 53 -23.085 -5.009 12.908 1.00 24.02 H new ATOM 0 HZ PHE A 53 -24.044 -4.661 10.665 1.00 44.40 H new ATOM 711 N GLN A 54 -28.052 -2.175 17.652 1.00 35.31 N ATOM 712 CA GLN A 54 -28.881 -2.090 18.848 1.00 51.34 C ATOM 713 C GLN A 54 -30.200 -1.386 18.547 1.00 25.11 C ATOM 714 O GLN A 54 -31.202 -1.606 19.226 1.00 24.01 O ATOM 715 CB GLN A 54 -28.136 -1.350 19.960 1.00 23.03 C ATOM 716 CG GLN A 54 -28.267 0.162 19.878 1.00 42.13 C ATOM 717 CD GLN A 54 -27.253 0.884 20.742 1.00 31.25 C ATOM 718 OE1 GLN A 54 -26.649 0.291 21.638 1.00 3.10 O ATOM 719 NE2 GLN A 54 -27.058 2.171 20.479 1.00 22.23 N ATOM 0 H GLN A 54 -27.133 -1.742 17.744 1.00 35.31 H new ATOM 0 HA GLN A 54 -29.099 -3.105 19.181 1.00 51.34 H new ATOM 0 HB2 GLN A 54 -28.513 -1.687 20.925 1.00 23.03 H new ATOM 0 HB3 GLN A 54 -27.080 -1.618 19.919 1.00 23.03 H new ATOM 0 HG2 GLN A 54 -28.146 0.478 18.842 1.00 42.13 H new ATOM 0 HG3 GLN A 54 -29.272 0.453 20.184 1.00 42.13 H new ATOM 0 HE21 GLN A 54 -27.580 2.623 19.728 1.00 22.23 H new ATOM 0 HE22 GLN A 54 -26.387 2.708 21.028 1.00 22.23 H new ATOM 726 N GLY A 55 -30.191 -0.536 17.524 1.00 45.15 N ATOM 727 CA GLY A 55 -31.393 0.189 17.152 1.00 32.14 C ATOM 728 C GLY A 55 -32.217 -0.549 16.117 1.00 61.00 C ATOM 729 O GLY A 55 -33.421 -0.742 16.294 1.00 74.54 O ATOM 0 H GLY A 55 -29.374 -0.337 16.947 1.00 45.15 H new ATOM 0 HA2 GLY A 55 -32.000 0.360 18.041 1.00 32.14 H new ATOM 0 HA3 GLY A 55 -31.117 1.168 16.761 1.00 32.14 H new ATOM 732 N VAL A 56 -31.571 -0.962 15.031 1.00 42.30 N ATOM 733 CA VAL A 56 -32.253 -1.682 13.963 1.00 74.42 C ATOM 734 C VAL A 56 -32.811 -3.010 14.464 1.00 43.55 C ATOM 735 O VAL A 56 -33.876 -3.450 14.032 1.00 45.35 O ATOM 736 CB VAL A 56 -31.309 -1.952 12.776 1.00 33.10 C ATOM 737 CG1 VAL A 56 -30.813 -0.642 12.181 1.00 74.52 C ATOM 738 CG2 VAL A 56 -30.142 -2.825 13.211 1.00 72.23 C ATOM 0 H VAL A 56 -30.576 -0.810 14.868 1.00 42.30 H new ATOM 0 HA VAL A 56 -33.074 -1.048 13.629 1.00 74.42 H new ATOM 0 HB VAL A 56 -31.865 -2.487 12.006 1.00 33.10 H new ATOM 0 HG11 VAL A 56 -30.147 -0.852 11.344 1.00 74.52 H new ATOM 0 HG12 VAL A 56 -31.663 -0.056 11.831 1.00 74.52 H new ATOM 0 HG13 VAL A 56 -30.273 -0.078 12.942 1.00 74.52 H new ATOM 0 HG21 VAL A 56 -29.486 -3.005 12.360 1.00 72.23 H new ATOM 0 HG22 VAL A 56 -29.584 -2.320 13.999 1.00 72.23 H new ATOM 0 HG23 VAL A 56 -30.519 -3.776 13.586 1.00 72.23 H new ATOM 748 N HIS A 57 -32.085 -3.643 15.380 1.00 2.20 N ATOM 749 CA HIS A 57 -32.509 -4.920 15.942 1.00 34.23 C ATOM 750 C HIS A 57 -33.950 -4.846 16.435 1.00 5.20 C ATOM 751 O HIS A 57 -34.782 -5.684 16.085 1.00 2.15 O ATOM 752 CB HIS A 57 -31.585 -5.328 17.090 1.00 12.34 C ATOM 753 CG HIS A 57 -31.921 -6.661 17.685 1.00 3.12 C ATOM 754 ND1 HIS A 57 -31.248 -7.820 17.364 1.00 20.42 N ATOM 755 CD2 HIS A 57 -32.865 -7.015 18.589 1.00 24.11 C ATOM 756 CE1 HIS A 57 -31.764 -8.829 18.041 1.00 33.04 C ATOM 757 NE2 HIS A 57 -32.746 -8.367 18.793 1.00 1.42 N ATOM 0 H HIS A 57 -31.201 -3.293 15.749 1.00 2.20 H new ATOM 0 HA HIS A 57 -32.452 -5.672 15.155 1.00 34.23 H new ATOM 0 HB2 HIS A 57 -30.557 -5.350 16.728 1.00 12.34 H new ATOM 0 HB3 HIS A 57 -31.632 -4.569 17.871 1.00 12.34 H new ATOM 0 HD2 HIS A 57 -33.579 -6.356 19.061 1.00 24.11 H new ATOM 0 HE1 HIS A 57 -31.438 -9.857 17.989 1.00 33.04 H new ATOM 0 HE2 HIS A 57 -33.323 -8.924 19.423 1.00 1.42 H new ATOM 764 N ASP A 58 -34.240 -3.837 17.251 1.00 62.24 N ATOM 765 CA ASP A 58 -35.581 -3.653 17.792 1.00 50.32 C ATOM 766 C ASP A 58 -36.547 -3.193 16.704 1.00 51.55 C ATOM 767 O ASP A 58 -37.765 -3.286 16.863 1.00 74.35 O ATOM 768 CB ASP A 58 -35.558 -2.636 18.933 1.00 12.45 C ATOM 769 CG ASP A 58 -36.185 -3.176 20.204 1.00 55.31 C ATOM 770 OD1 ASP A 58 -35.958 -4.363 20.519 1.00 30.41 O ATOM 771 OD2 ASP A 58 -36.904 -2.413 20.884 1.00 34.54 O ATOM 0 H ASP A 58 -33.564 -3.135 17.552 1.00 62.24 H new ATOM 0 HA ASP A 58 -35.926 -4.613 18.178 1.00 50.32 H new ATOM 0 HB2 ASP A 58 -34.527 -2.345 19.135 1.00 12.45 H new ATOM 0 HB3 ASP A 58 -36.089 -1.736 18.624 1.00 12.45 H new ATOM 775 N SER A 59 -35.997 -2.697 15.602 1.00 25.32 N ATOM 776 CA SER A 59 -36.810 -2.218 14.490 1.00 14.24 C ATOM 777 C SER A 59 -37.227 -3.373 13.586 1.00 62.43 C ATOM 778 O SER A 59 -38.274 -3.324 12.940 1.00 21.04 O ATOM 779 CB SER A 59 -36.040 -1.173 13.680 1.00 35.10 C ATOM 780 OG SER A 59 -36.660 -0.941 12.427 1.00 11.13 O ATOM 0 H SER A 59 -34.991 -2.616 15.454 1.00 25.32 H new ATOM 0 HA SER A 59 -37.709 -1.758 14.901 1.00 14.24 H new ATOM 0 HB2 SER A 59 -35.987 -0.240 14.241 1.00 35.10 H new ATOM 0 HB3 SER A 59 -35.015 -1.511 13.525 1.00 35.10 H new ATOM 0 HG SER A 59 -36.150 -0.268 11.929 1.00 11.13 H new ATOM 785 N ALA A 60 -36.400 -4.413 13.544 1.00 41.21 N ATOM 786 CA ALA A 60 -36.683 -5.582 12.721 1.00 12.31 C ATOM 787 C ALA A 60 -37.496 -6.614 13.494 1.00 55.11 C ATOM 788 O ALA A 60 -37.674 -7.744 13.040 1.00 15.30 O ATOM 789 CB ALA A 60 -35.387 -6.198 12.216 1.00 15.33 C ATOM 0 H ALA A 60 -35.528 -4.469 14.071 1.00 41.21 H new ATOM 0 HA ALA A 60 -37.276 -5.258 11.866 1.00 12.31 H new ATOM 0 HB1 ALA A 60 -35.613 -7.070 11.603 1.00 15.33 H new ATOM 0 HB2 ALA A 60 -34.844 -5.465 11.619 1.00 15.33 H new ATOM 0 HB3 ALA A 60 -34.773 -6.501 13.064 1.00 15.33 H new ATOM 795 N GLU A 61 -37.985 -6.219 14.665 1.00 2.41 N ATOM 796 CA GLU A 61 -38.777 -7.113 15.502 1.00 45.24 C ATOM 797 C GLU A 61 -39.925 -7.729 14.706 1.00 30.14 C ATOM 798 O GLU A 61 -40.366 -8.842 14.991 1.00 54.04 O ATOM 799 CB GLU A 61 -39.331 -6.357 16.712 1.00 13.43 C ATOM 800 CG GLU A 61 -39.814 -7.267 17.829 1.00 52.53 C ATOM 801 CD GLU A 61 -40.499 -6.506 18.947 1.00 4.10 C ATOM 802 OE1 GLU A 61 -40.578 -5.262 18.855 1.00 52.32 O ATOM 803 OE2 GLU A 61 -40.957 -7.152 19.913 1.00 74.20 O ATOM 0 H GLU A 61 -37.847 -5.287 15.055 1.00 2.41 H new ATOM 0 HA GLU A 61 -38.126 -7.915 15.849 1.00 45.24 H new ATOM 0 HB2 GLU A 61 -38.557 -5.696 17.102 1.00 13.43 H new ATOM 0 HB3 GLU A 61 -40.157 -5.724 16.387 1.00 13.43 H new ATOM 0 HG2 GLU A 61 -40.505 -8.003 17.419 1.00 52.53 H new ATOM 0 HG3 GLU A 61 -38.966 -7.818 18.236 1.00 52.53 H new ATOM 808 N LYS A 62 -40.404 -6.996 13.707 1.00 23.44 N ATOM 809 CA LYS A 62 -41.499 -7.469 12.867 1.00 22.05 C ATOM 810 C LYS A 62 -40.982 -8.389 11.767 1.00 61.41 C ATOM 811 O LYS A 62 -41.649 -9.350 11.384 1.00 52.42 O ATOM 812 CB LYS A 62 -42.242 -6.282 12.248 1.00 32.51 C ATOM 813 CG LYS A 62 -41.384 -5.450 11.311 1.00 44.42 C ATOM 814 CD LYS A 62 -42.159 -4.270 10.746 1.00 52.42 C ATOM 815 CE LYS A 62 -41.286 -3.411 9.844 1.00 14.23 C ATOM 816 NZ LYS A 62 -42.096 -2.471 9.020 1.00 74.15 N ATOM 0 H LYS A 62 -40.051 -6.072 13.459 1.00 23.44 H new ATOM 0 HA LYS A 62 -42.188 -8.034 13.494 1.00 22.05 H new ATOM 0 HB2 LYS A 62 -43.109 -6.652 11.701 1.00 32.51 H new ATOM 0 HB3 LYS A 62 -42.618 -5.643 13.047 1.00 32.51 H new ATOM 0 HG2 LYS A 62 -40.506 -5.088 11.845 1.00 44.42 H new ATOM 0 HG3 LYS A 62 -41.024 -6.075 10.494 1.00 44.42 H new ATOM 0 HD2 LYS A 62 -43.019 -4.634 10.183 1.00 52.42 H new ATOM 0 HD3 LYS A 62 -42.547 -3.663 11.564 1.00 52.42 H new ATOM 0 HE2 LYS A 62 -40.581 -2.845 10.453 1.00 14.23 H new ATOM 0 HE3 LYS A 62 -40.698 -4.054 9.189 1.00 14.23 H new ATOM 0 HZ1 LYS A 62 -41.465 -1.904 8.419 1.00 74.15 H new ATOM 0 HZ2 LYS A 62 -42.751 -3.012 8.420 1.00 74.15 H new ATOM 0 HZ3 LYS A 62 -42.638 -1.841 9.645 1.00 74.15 H new ATOM 826 N GLY A 63 -39.789 -8.090 11.262 1.00 43.05 N ATOM 827 CA GLY A 63 -39.204 -8.902 10.211 1.00 55.10 C ATOM 828 C GLY A 63 -38.232 -9.934 10.749 1.00 62.45 C ATOM 829 O GLY A 63 -37.410 -10.471 10.006 1.00 30.50 O ATOM 0 H GLY A 63 -39.217 -7.300 11.562 1.00 43.05 H new ATOM 0 HA2 GLY A 63 -39.998 -9.407 9.662 1.00 55.10 H new ATOM 0 HA3 GLY A 63 -38.687 -8.256 9.502 1.00 55.10 H new ATOM 832 N LYS A 64 -38.325 -10.212 12.045 1.00 22.42 N ATOM 833 CA LYS A 64 -37.447 -11.186 12.683 1.00 3.31 C ATOM 834 C LYS A 64 -38.137 -12.541 12.806 1.00 61.32 C ATOM 835 O LYS A 64 -37.791 -13.348 13.668 1.00 35.00 O ATOM 836 CB LYS A 64 -37.024 -10.691 14.067 1.00 11.34 C ATOM 837 CG LYS A 64 -35.521 -10.523 14.220 1.00 3.30 C ATOM 838 CD LYS A 64 -34.799 -11.856 14.133 1.00 50.25 C ATOM 839 CE LYS A 64 -34.809 -12.584 15.469 1.00 72.20 C ATOM 840 NZ LYS A 64 -34.110 -11.806 16.529 1.00 4.43 N ATOM 0 H LYS A 64 -39.000 -9.777 12.674 1.00 22.42 H new ATOM 0 HA LYS A 64 -36.561 -11.304 12.059 1.00 3.31 H new ATOM 0 HB2 LYS A 64 -37.510 -9.736 14.266 1.00 11.34 H new ATOM 0 HB3 LYS A 64 -37.381 -11.394 14.820 1.00 11.34 H new ATOM 0 HG2 LYS A 64 -35.148 -9.855 13.444 1.00 3.30 H new ATOM 0 HG3 LYS A 64 -35.302 -10.052 15.178 1.00 3.30 H new ATOM 0 HD2 LYS A 64 -35.273 -12.479 13.375 1.00 50.25 H new ATOM 0 HD3 LYS A 64 -33.770 -11.693 13.814 1.00 50.25 H new ATOM 0 HE2 LYS A 64 -35.839 -12.769 15.774 1.00 72.20 H new ATOM 0 HE3 LYS A 64 -34.330 -13.557 15.356 1.00 72.20 H new ATOM 0 HZ1 LYS A 64 -33.400 -12.409 16.991 1.00 4.43 H new ATOM 0 HZ2 LYS A 64 -33.640 -10.982 16.102 1.00 4.43 H new ATOM 0 HZ3 LYS A 64 -34.801 -11.483 17.235 1.00 4.43 H new ATOM 850 N ASP A 65 -39.112 -12.784 11.937 1.00 0.22 N ATOM 851 CA ASP A 65 -39.848 -14.043 11.947 1.00 21.40 C ATOM 852 C ASP A 65 -39.500 -14.885 10.723 1.00 72.04 C ATOM 853 O ASP A 65 -40.186 -15.858 10.411 1.00 2.03 O ATOM 854 CB ASP A 65 -41.354 -13.777 11.986 1.00 71.41 C ATOM 855 CG ASP A 65 -42.096 -14.780 12.848 1.00 71.12 C ATOM 856 OD1 ASP A 65 -41.876 -15.996 12.666 1.00 0.43 O ATOM 857 OD2 ASP A 65 -42.898 -14.350 13.703 1.00 42.31 O ATOM 0 H ASP A 65 -39.411 -12.126 11.217 1.00 0.22 H new ATOM 0 HA ASP A 65 -39.561 -14.597 12.841 1.00 21.40 H new ATOM 0 HB2 ASP A 65 -41.533 -12.772 12.367 1.00 71.41 H new ATOM 0 HB3 ASP A 65 -41.752 -13.809 10.972 1.00 71.41 H new ATOM 861 N ASN A 66 -38.430 -14.504 10.033 1.00 12.01 N ATOM 862 CA ASN A 66 -37.991 -15.224 8.844 1.00 24.33 C ATOM 863 C ASN A 66 -37.942 -16.726 9.102 1.00 4.41 C ATOM 864 O ASN A 66 -38.064 -17.530 8.179 1.00 71.31 O ATOM 865 CB ASN A 66 -36.613 -14.726 8.401 1.00 73.42 C ATOM 866 CG ASN A 66 -35.835 -14.091 9.537 1.00 60.42 C ATOM 867 OD1 ASN A 66 -35.672 -14.831 10.627 1.00 62.45 O flip ATOM 868 ND2 ASN A 66 -35.385 -12.950 9.435 1.00 53.32 N flip ATOM 0 H ASN A 66 -37.851 -13.701 10.277 1.00 12.01 H new ATOM 0 HA ASN A 66 -38.712 -15.035 8.049 1.00 24.33 H new ATOM 0 HB2 ASN A 66 -36.041 -15.561 7.995 1.00 73.42 H new ATOM 0 HB3 ASN A 66 -36.733 -14.000 7.597 1.00 73.42 H new ATOM 0 HD21 ASN A 66 -35.535 -12.418 8.578 1.00 53.32 H new ATOM 0 HD22 ASN A 66 -34.862 -12.537 10.207 1.00 53.32 H new ATOM 874 N ALA A 67 -37.766 -17.098 10.366 1.00 22.35 N ATOM 875 CA ALA A 67 -37.704 -18.503 10.749 1.00 63.55 C ATOM 876 C ALA A 67 -38.898 -19.274 10.197 1.00 40.32 C ATOM 877 O ALA A 67 -38.804 -20.469 9.922 1.00 32.42 O ATOM 878 CB ALA A 67 -37.640 -18.636 12.262 1.00 54.21 C ATOM 0 H ALA A 67 -37.664 -16.445 11.143 1.00 22.35 H new ATOM 0 HA ALA A 67 -36.798 -18.932 10.321 1.00 63.55 H new ATOM 0 HB1 ALA A 67 -37.594 -19.691 12.533 1.00 54.21 H new ATOM 0 HB2 ALA A 67 -36.751 -18.127 12.635 1.00 54.21 H new ATOM 0 HB3 ALA A 67 -38.529 -18.186 12.705 1.00 54.21 H new ATOM 947 N LEU A 74 -34.696 -23.725 1.958 1.00 34.22 N ATOM 948 CA LEU A 74 -35.245 -22.542 1.305 1.00 54.51 C ATOM 949 C LEU A 74 -35.206 -22.690 -0.212 1.00 10.03 C ATOM 950 O LEU A 74 -35.778 -21.878 -0.939 1.00 32.51 O ATOM 951 CB LEU A 74 -34.466 -21.295 1.728 1.00 5.11 C ATOM 952 CG LEU A 74 -34.452 -20.987 3.226 1.00 73.24 C ATOM 953 CD1 LEU A 74 -35.818 -21.255 3.838 1.00 11.50 C ATOM 954 CD2 LEU A 74 -33.380 -21.807 3.929 1.00 64.50 C ATOM 0 HA LEU A 74 -36.285 -22.436 1.614 1.00 54.51 H new ATOM 0 HB2 LEU A 74 -33.435 -21.403 1.390 1.00 5.11 H new ATOM 0 HB3 LEU A 74 -34.884 -20.435 1.205 1.00 5.11 H new ATOM 0 HG LEU A 74 -34.218 -19.931 3.359 1.00 73.24 H new ATOM 0 HD11 LEU A 74 -35.789 -21.030 4.904 1.00 11.50 H new ATOM 0 HD12 LEU A 74 -36.564 -20.624 3.354 1.00 11.50 H new ATOM 0 HD13 LEU A 74 -36.082 -22.303 3.695 1.00 11.50 H new ATOM 0 HD21 LEU A 74 -33.384 -21.575 4.994 1.00 64.50 H new ATOM 0 HD22 LEU A 74 -33.583 -22.869 3.788 1.00 64.50 H new ATOM 0 HD23 LEU A 74 -32.404 -21.566 3.509 1.00 64.50 H new ATOM 965 N ALA A 75 -34.530 -23.732 -0.683 1.00 15.13 N ATOM 966 CA ALA A 75 -34.420 -23.989 -2.114 1.00 52.43 C ATOM 967 C ALA A 75 -35.635 -24.753 -2.629 1.00 5.34 C ATOM 968 O ALA A 75 -36.061 -24.565 -3.768 1.00 21.52 O ATOM 969 CB ALA A 75 -33.144 -24.761 -2.415 1.00 0.53 C ATOM 0 H ALA A 75 -34.050 -24.413 -0.094 1.00 15.13 H new ATOM 0 HA ALA A 75 -34.381 -23.029 -2.628 1.00 52.43 H new ATOM 0 HB1 ALA A 75 -33.075 -24.946 -3.487 1.00 0.53 H new ATOM 0 HB2 ALA A 75 -32.281 -24.179 -2.091 1.00 0.53 H new ATOM 0 HB3 ALA A 75 -33.160 -25.712 -1.883 1.00 0.53 H new ATOM 975 N ASP A 76 -36.191 -25.613 -1.782 1.00 72.41 N ATOM 976 CA ASP A 76 -37.358 -26.404 -2.153 1.00 55.44 C ATOM 977 C ASP A 76 -38.511 -25.503 -2.583 1.00 12.52 C ATOM 978 O ASP A 76 -39.216 -25.800 -3.547 1.00 3.21 O ATOM 979 CB ASP A 76 -37.794 -27.288 -0.982 1.00 24.33 C ATOM 980 CG ASP A 76 -38.665 -28.447 -1.425 1.00 32.32 C ATOM 981 OD1 ASP A 76 -39.673 -28.200 -2.119 1.00 22.42 O ATOM 982 OD2 ASP A 76 -38.338 -29.601 -1.078 1.00 51.41 O ATOM 0 H ASP A 76 -35.852 -25.780 -0.834 1.00 72.41 H new ATOM 0 HA ASP A 76 -37.084 -27.039 -2.995 1.00 55.44 H new ATOM 0 HB2 ASP A 76 -36.911 -27.675 -0.474 1.00 24.33 H new ATOM 0 HB3 ASP A 76 -38.340 -26.683 -0.257 1.00 24.33 H new ATOM 986 N GLN A 77 -38.697 -24.403 -1.861 1.00 3.53 N ATOM 987 CA GLN A 77 -39.766 -23.460 -2.167 1.00 10.00 C ATOM 988 C GLN A 77 -39.353 -22.516 -3.292 1.00 41.43 C ATOM 989 O GLN A 77 -40.146 -22.211 -4.181 1.00 41.25 O ATOM 990 CB GLN A 77 -40.138 -22.655 -0.920 1.00 71.24 C ATOM 991 CG GLN A 77 -39.993 -23.438 0.375 1.00 44.04 C ATOM 992 CD GLN A 77 -40.639 -24.809 0.303 1.00 22.44 C ATOM 993 OE1 GLN A 77 -41.549 -25.038 -0.494 1.00 73.11 O ATOM 994 NE2 GLN A 77 -40.169 -25.729 1.137 1.00 24.13 N ATOM 0 H GLN A 77 -38.121 -24.143 -1.060 1.00 3.53 H new ATOM 0 HA GLN A 77 -40.636 -24.029 -2.495 1.00 10.00 H new ATOM 0 HB2 GLN A 77 -39.509 -21.767 -0.870 1.00 71.24 H new ATOM 0 HB3 GLN A 77 -41.168 -22.311 -1.014 1.00 71.24 H new ATOM 0 HG2 GLN A 77 -38.935 -23.551 0.610 1.00 44.04 H new ATOM 0 HG3 GLN A 77 -40.442 -22.871 1.190 1.00 44.04 H new ATOM 0 HE21 GLN A 77 -39.413 -25.495 1.781 1.00 24.13 H new ATOM 0 HE22 GLN A 77 -40.564 -26.670 1.134 1.00 24.13 H new ATOM 1001 N ALA A 78 -38.107 -22.056 -3.244 1.00 32.12 N ATOM 1002 CA ALA A 78 -37.589 -21.149 -4.260 1.00 32.05 C ATOM 1003 C ALA A 78 -38.046 -21.565 -5.654 1.00 30.11 C ATOM 1004 O ALA A 78 -38.282 -20.721 -6.519 1.00 51.40 O ATOM 1005 CB ALA A 78 -36.070 -21.095 -4.195 1.00 53.41 C ATOM 0 H ALA A 78 -37.438 -22.297 -2.512 1.00 32.12 H new ATOM 0 HA ALA A 78 -37.986 -20.154 -4.058 1.00 32.05 H new ATOM 0 HB1 ALA A 78 -35.697 -20.414 -4.960 1.00 53.41 H new ATOM 0 HB2 ALA A 78 -35.760 -20.741 -3.212 1.00 53.41 H new ATOM 0 HB3 ALA A 78 -35.663 -22.091 -4.367 1.00 53.41 H new ATOM 1011 N ARG A 79 -38.168 -22.872 -5.866 1.00 11.44 N ATOM 1012 CA ARG A 79 -38.595 -23.400 -7.155 1.00 71.53 C ATOM 1013 C ARG A 79 -40.095 -23.204 -7.354 1.00 34.34 C ATOM 1014 O ARG A 79 -40.524 -22.513 -8.278 1.00 4.14 O ATOM 1015 CB ARG A 79 -38.246 -24.885 -7.263 1.00 54.11 C ATOM 1016 CG ARG A 79 -36.768 -25.180 -7.059 1.00 51.14 C ATOM 1017 CD ARG A 79 -36.483 -26.672 -7.129 1.00 71.54 C ATOM 1018 NE ARG A 79 -35.088 -26.978 -6.827 1.00 33.31 N ATOM 1019 CZ ARG A 79 -34.629 -28.210 -6.639 1.00 51.54 C ATOM 1020 NH1 ARG A 79 -35.452 -29.247 -6.721 1.00 32.32 N ATOM 1021 NH2 ARG A 79 -33.346 -28.408 -6.367 1.00 23.54 N ATOM 0 H ARG A 79 -37.977 -23.584 -5.161 1.00 11.44 H new ATOM 0 HA ARG A 79 -38.068 -22.852 -7.936 1.00 71.53 H new ATOM 0 HB2 ARG A 79 -38.824 -25.440 -6.524 1.00 54.11 H new ATOM 0 HB3 ARG A 79 -38.549 -25.250 -8.244 1.00 54.11 H new ATOM 0 HG2 ARG A 79 -36.184 -24.661 -7.819 1.00 51.14 H new ATOM 0 HG3 ARG A 79 -36.449 -24.792 -6.092 1.00 51.14 H new ATOM 0 HD2 ARG A 79 -37.130 -27.198 -6.426 1.00 71.54 H new ATOM 0 HD3 ARG A 79 -36.728 -27.041 -8.125 1.00 71.54 H new ATOM 0 HE ARG A 79 -34.429 -26.203 -6.756 1.00 33.31 H new ATOM 0 HH11 ARG A 79 -36.440 -29.099 -6.929 1.00 32.32 H new ATOM 0 HH12 ARG A 79 -35.097 -30.192 -6.576 1.00 32.32 H new ATOM 0 HH21 ARG A 79 -32.710 -27.613 -6.302 1.00 23.54 H new ATOM 0 HH22 ARG A 79 -32.995 -29.355 -6.223 1.00 23.54 H new ATOM 1032 N ASP A 80 -40.887 -23.816 -6.481 1.00 52.01 N ATOM 1033 CA ASP A 80 -42.339 -23.709 -6.560 1.00 70.10 C ATOM 1034 C ASP A 80 -42.810 -22.339 -6.079 1.00 34.31 C ATOM 1035 O ASP A 80 -43.541 -21.641 -6.782 1.00 10.35 O ATOM 1036 CB ASP A 80 -43.000 -24.809 -5.727 1.00 21.35 C ATOM 1037 CG ASP A 80 -43.110 -26.118 -6.484 1.00 41.34 C ATOM 1038 OD1 ASP A 80 -43.712 -26.123 -7.579 1.00 3.32 O ATOM 1039 OD2 ASP A 80 -42.596 -27.139 -5.981 1.00 34.31 O ATOM 0 H ASP A 80 -40.548 -24.392 -5.710 1.00 52.01 H new ATOM 0 HA ASP A 80 -42.630 -23.829 -7.603 1.00 70.10 H new ATOM 0 HB2 ASP A 80 -42.424 -24.967 -4.815 1.00 21.35 H new ATOM 0 HB3 ASP A 80 -43.995 -24.483 -5.423 1.00 21.35 H new ATOM 1043 N TYR A 81 -42.386 -21.963 -4.878 1.00 2.32 N ATOM 1044 CA TYR A 81 -42.766 -20.678 -4.301 1.00 71.25 C ATOM 1045 C TYR A 81 -42.701 -19.570 -5.348 1.00 63.40 C ATOM 1046 O TYR A 81 -43.720 -18.983 -5.711 1.00 33.45 O ATOM 1047 CB TYR A 81 -41.855 -20.335 -3.122 1.00 3.33 C ATOM 1048 CG TYR A 81 -42.485 -19.389 -2.125 1.00 4.31 C ATOM 1049 CD1 TYR A 81 -43.780 -19.593 -1.667 1.00 50.41 C ATOM 1050 CD2 TYR A 81 -41.785 -18.290 -1.641 1.00 63.32 C ATOM 1051 CE1 TYR A 81 -44.360 -18.731 -0.756 1.00 70.11 C ATOM 1052 CE2 TYR A 81 -42.356 -17.424 -0.730 1.00 4.11 C ATOM 1053 CZ TYR A 81 -43.644 -17.648 -0.291 1.00 41.11 C ATOM 1054 OH TYR A 81 -44.218 -16.787 0.617 1.00 54.25 O ATOM 0 H TYR A 81 -41.779 -22.529 -4.285 1.00 2.32 H new ATOM 0 HA TYR A 81 -43.793 -20.758 -3.946 1.00 71.25 H new ATOM 0 HB2 TYR A 81 -41.575 -21.256 -2.610 1.00 3.33 H new ATOM 0 HB3 TYR A 81 -40.935 -19.890 -3.502 1.00 3.33 H new ATOM 0 HD1 TYR A 81 -44.344 -20.440 -2.029 1.00 50.41 H new ATOM 0 HD2 TYR A 81 -40.777 -18.110 -1.984 1.00 63.32 H new ATOM 0 HE1 TYR A 81 -45.368 -18.904 -0.410 1.00 70.11 H new ATOM 0 HE2 TYR A 81 -41.797 -16.576 -0.363 1.00 4.11 H new ATOM 0 HH TYR A 81 -43.581 -16.078 0.844 1.00 54.25 H new ATOM 1063 N MET A 82 -41.495 -19.292 -5.831 1.00 24.44 N ATOM 1064 CA MET A 82 -41.295 -18.257 -6.839 1.00 3.53 C ATOM 1065 C MET A 82 -42.324 -18.382 -7.958 1.00 11.11 C ATOM 1066 O MET A 82 -42.794 -17.380 -8.497 1.00 55.43 O ATOM 1067 CB MET A 82 -39.881 -18.342 -7.417 1.00 71.43 C ATOM 1068 CG MET A 82 -39.748 -19.346 -8.551 1.00 65.04 C ATOM 1069 SD MET A 82 -38.096 -19.366 -9.271 1.00 72.34 S ATOM 1070 CE MET A 82 -38.321 -18.267 -10.667 1.00 41.43 C ATOM 0 H MET A 82 -40.641 -19.769 -5.541 1.00 24.44 H new ATOM 0 HA MET A 82 -41.424 -17.287 -6.358 1.00 3.53 H new ATOM 0 HB2 MET A 82 -39.585 -17.357 -7.778 1.00 71.43 H new ATOM 0 HB3 MET A 82 -39.187 -18.611 -6.621 1.00 71.43 H new ATOM 0 HG2 MET A 82 -39.990 -20.342 -8.180 1.00 65.04 H new ATOM 0 HG3 MET A 82 -40.476 -19.110 -9.327 1.00 65.04 H new ATOM 0 HE1 MET A 82 -37.383 -18.177 -11.214 1.00 41.43 H new ATOM 0 HE2 MET A 82 -39.089 -18.670 -11.327 1.00 41.43 H new ATOM 0 HE3 MET A 82 -38.629 -17.284 -10.310 1.00 41.43 H new ATOM 1078 N GLY A 83 -42.668 -19.619 -8.305 1.00 11.12 N ATOM 1079 CA GLY A 83 -43.637 -19.851 -9.359 1.00 12.31 C ATOM 1080 C GLY A 83 -45.049 -19.496 -8.936 1.00 53.32 C ATOM 1081 O GLY A 83 -45.699 -18.658 -9.559 1.00 11.42 O ATOM 0 H GLY A 83 -42.292 -20.464 -7.875 1.00 11.12 H new ATOM 0 HA2 GLY A 83 -43.364 -19.262 -10.235 1.00 12.31 H new ATOM 0 HA3 GLY A 83 -43.603 -20.899 -9.656 1.00 12.31 H new ATOM 1084 N ALA A 84 -45.526 -20.138 -7.875 1.00 40.41 N ATOM 1085 CA ALA A 84 -46.870 -19.886 -7.369 1.00 22.02 C ATOM 1086 C ALA A 84 -47.071 -18.406 -7.059 1.00 74.35 C ATOM 1087 O ALA A 84 -48.202 -17.931 -6.961 1.00 13.23 O ATOM 1088 CB ALA A 84 -47.134 -20.728 -6.130 1.00 41.52 C ATOM 0 H ALA A 84 -45.002 -20.837 -7.349 1.00 40.41 H new ATOM 0 HA ALA A 84 -47.583 -20.168 -8.144 1.00 22.02 H new ATOM 0 HB1 ALA A 84 -48.141 -20.530 -5.763 1.00 41.52 H new ATOM 0 HB2 ALA A 84 -47.041 -21.785 -6.381 1.00 41.52 H new ATOM 0 HB3 ALA A 84 -46.409 -20.474 -5.356 1.00 41.52 H new ATOM 1094 N ALA A 85 -45.966 -17.684 -6.905 1.00 24.30 N ATOM 1095 CA ALA A 85 -46.022 -16.258 -6.607 1.00 23.24 C ATOM 1096 C ALA A 85 -46.006 -15.428 -7.887 1.00 34.42 C ATOM 1097 O ALA A 85 -47.029 -14.880 -8.296 1.00 22.34 O ATOM 1098 CB ALA A 85 -44.862 -15.862 -5.705 1.00 50.33 C ATOM 0 H ALA A 85 -45.022 -18.063 -6.982 1.00 24.30 H new ATOM 0 HA ALA A 85 -46.958 -16.057 -6.087 1.00 23.24 H new ATOM 0 HB1 ALA A 85 -44.916 -14.795 -5.490 1.00 50.33 H new ATOM 0 HB2 ALA A 85 -44.918 -16.423 -4.772 1.00 50.33 H new ATOM 0 HB3 ALA A 85 -43.920 -16.084 -6.206 1.00 50.33 H new ATOM 1104 N LYS A 86 -44.838 -15.341 -8.515 1.00 2.52 N ATOM 1105 CA LYS A 86 -44.688 -14.579 -9.749 1.00 14.12 C ATOM 1106 C LYS A 86 -45.820 -14.890 -10.722 1.00 4.31 C ATOM 1107 O LYS A 86 -46.272 -14.017 -11.462 1.00 24.42 O ATOM 1108 CB LYS A 86 -43.340 -14.891 -10.403 1.00 23.43 C ATOM 1109 CG LYS A 86 -43.299 -16.238 -11.103 1.00 52.22 C ATOM 1110 CD LYS A 86 -43.688 -16.119 -12.566 1.00 71.02 C ATOM 1111 CE LYS A 86 -42.472 -16.207 -13.476 1.00 4.44 C ATOM 1112 NZ LYS A 86 -41.866 -17.567 -13.462 1.00 70.12 N ATOM 0 H LYS A 86 -43.981 -15.789 -8.189 1.00 2.52 H new ATOM 0 HA LYS A 86 -44.728 -13.519 -9.499 1.00 14.12 H new ATOM 0 HB2 LYS A 86 -43.107 -14.109 -11.125 1.00 23.43 H new ATOM 0 HB3 LYS A 86 -42.561 -14.864 -9.641 1.00 23.43 H new ATOM 0 HG2 LYS A 86 -42.296 -16.659 -11.025 1.00 52.22 H new ATOM 0 HG3 LYS A 86 -43.975 -16.930 -10.601 1.00 52.22 H new ATOM 0 HD2 LYS A 86 -44.393 -16.910 -12.822 1.00 71.02 H new ATOM 0 HD3 LYS A 86 -44.200 -15.171 -12.731 1.00 71.02 H new ATOM 0 HE2 LYS A 86 -42.761 -15.949 -14.495 1.00 4.44 H new ATOM 0 HE3 LYS A 86 -41.729 -15.475 -13.161 1.00 4.44 H new ATOM 0 HZ1 LYS A 86 -41.307 -17.707 -14.328 1.00 70.12 H new ATOM 0 HZ2 LYS A 86 -41.248 -17.663 -12.631 1.00 70.12 H new ATOM 0 HZ3 LYS A 86 -42.620 -18.282 -13.417 1.00 70.12 H new ATOM 1122 N SER A 87 -46.276 -16.139 -10.713 1.00 3.45 N ATOM 1123 CA SER A 87 -47.355 -16.565 -11.596 1.00 41.12 C ATOM 1124 C SER A 87 -48.708 -16.110 -11.059 1.00 44.33 C ATOM 1125 O SER A 87 -49.361 -15.243 -11.641 1.00 63.05 O ATOM 1126 CB SER A 87 -47.342 -18.087 -11.755 1.00 4.35 C ATOM 1127 OG SER A 87 -47.749 -18.467 -13.058 1.00 71.12 O ATOM 0 H SER A 87 -45.915 -16.873 -10.104 1.00 3.45 H new ATOM 0 HA SER A 87 -47.197 -16.104 -12.571 1.00 41.12 H new ATOM 0 HB2 SER A 87 -46.340 -18.468 -11.558 1.00 4.35 H new ATOM 0 HB3 SER A 87 -48.005 -18.539 -11.017 1.00 4.35 H new ATOM 0 HG SER A 87 -48.333 -17.775 -13.433 1.00 71.12 H new ATOM 1132 N LYS A 88 -49.125 -16.701 -9.944 1.00 32.52 N ATOM 1133 CA LYS A 88 -50.400 -16.358 -9.326 1.00 23.44 C ATOM 1134 C LYS A 88 -50.428 -14.889 -8.917 1.00 23.12 C ATOM 1135 O LYS A 88 -51.252 -14.114 -9.403 1.00 45.13 O ATOM 1136 CB LYS A 88 -50.651 -17.242 -8.103 1.00 51.15 C ATOM 1137 CG LYS A 88 -52.111 -17.617 -7.914 1.00 70.25 C ATOM 1138 CD LYS A 88 -52.758 -16.798 -6.810 1.00 41.33 C ATOM 1139 CE LYS A 88 -54.274 -16.923 -6.839 1.00 61.24 C ATOM 1140 NZ LYS A 88 -54.774 -17.859 -5.794 1.00 54.30 N ATOM 0 H LYS A 88 -48.598 -17.421 -9.450 1.00 32.52 H new ATOM 0 HA LYS A 88 -51.188 -16.529 -10.059 1.00 23.44 H new ATOM 0 HB2 LYS A 88 -50.060 -18.153 -8.196 1.00 51.15 H new ATOM 0 HB3 LYS A 88 -50.299 -16.723 -7.211 1.00 51.15 H new ATOM 0 HG2 LYS A 88 -52.651 -17.462 -8.848 1.00 70.25 H new ATOM 0 HG3 LYS A 88 -52.187 -18.678 -7.674 1.00 70.25 H new ATOM 0 HD2 LYS A 88 -52.383 -17.130 -5.842 1.00 41.33 H new ATOM 0 HD3 LYS A 88 -52.476 -15.751 -6.919 1.00 41.33 H new ATOM 0 HE2 LYS A 88 -54.722 -15.941 -6.691 1.00 61.24 H new ATOM 0 HE3 LYS A 88 -54.591 -17.273 -7.821 1.00 61.24 H new ATOM 0 HZ1 LYS A 88 -55.811 -17.916 -5.847 1.00 54.30 H new ATOM 0 HZ2 LYS A 88 -54.367 -18.803 -5.950 1.00 54.30 H new ATOM 0 HZ3 LYS A 88 -54.494 -17.512 -4.854 1.00 54.30 H new ATOM 1150 N LEU A 89 -49.521 -14.511 -8.022 1.00 65.41 N ATOM 1151 CA LEU A 89 -49.441 -13.133 -7.549 1.00 65.31 C ATOM 1152 C LEU A 89 -49.589 -12.151 -8.707 1.00 4.34 C ATOM 1153 O LEU A 89 -50.451 -11.274 -8.682 1.00 3.02 O ATOM 1154 CB LEU A 89 -48.112 -12.896 -6.831 1.00 13.42 C ATOM 1155 CG LEU A 89 -48.030 -11.637 -5.967 1.00 63.41 C ATOM 1156 CD1 LEU A 89 -48.028 -10.391 -6.839 1.00 13.31 C ATOM 1157 CD2 LEU A 89 -49.184 -11.595 -4.976 1.00 11.13 C ATOM 0 H LEU A 89 -48.831 -15.139 -7.610 1.00 65.41 H new ATOM 0 HA LEU A 89 -50.260 -12.967 -6.849 1.00 65.31 H new ATOM 0 HB2 LEU A 89 -47.904 -13.760 -6.199 1.00 13.42 H new ATOM 0 HB3 LEU A 89 -47.321 -12.851 -7.579 1.00 13.42 H new ATOM 0 HG LEU A 89 -47.096 -11.664 -5.406 1.00 63.41 H new ATOM 0 HD11 LEU A 89 -47.969 -9.505 -6.207 1.00 13.31 H new ATOM 0 HD12 LEU A 89 -47.168 -10.417 -7.509 1.00 13.31 H new ATOM 0 HD13 LEU A 89 -48.945 -10.357 -7.427 1.00 13.31 H new ATOM 0 HD21 LEU A 89 -49.110 -10.692 -4.369 1.00 11.13 H new ATOM 0 HD22 LEU A 89 -50.129 -11.591 -5.518 1.00 11.13 H new ATOM 0 HD23 LEU A 89 -49.140 -12.471 -4.329 1.00 11.13 H new ATOM 1168 N ASN A 90 -48.742 -12.306 -9.719 1.00 4.31 N ATOM 1169 CA ASN A 90 -48.779 -11.432 -10.887 1.00 42.11 C ATOM 1170 C ASN A 90 -50.057 -11.654 -11.691 1.00 24.03 C ATOM 1171 O ASN A 90 -50.884 -10.751 -11.823 1.00 11.22 O ATOM 1172 CB ASN A 90 -47.557 -11.678 -11.773 1.00 33.41 C ATOM 1173 CG ASN A 90 -47.146 -10.442 -12.548 1.00 40.13 C ATOM 1174 OD1 ASN A 90 -46.631 -9.480 -11.977 1.00 43.23 O ATOM 1175 ND2 ASN A 90 -47.372 -10.461 -13.857 1.00 12.40 N ATOM 0 H ASN A 90 -48.022 -13.028 -9.755 1.00 4.31 H new ATOM 0 HA ASN A 90 -48.764 -10.399 -10.538 1.00 42.11 H new ATOM 0 HB2 ASN A 90 -46.723 -12.009 -11.154 1.00 33.41 H new ATOM 0 HB3 ASN A 90 -47.775 -12.486 -12.472 1.00 33.41 H new ATOM 0 HD21 ASN A 90 -47.116 -9.657 -14.430 1.00 12.40 H new ATOM 0 HD22 ASN A 90 -47.801 -11.280 -14.289 1.00 12.40 H new ATOM 1181 N ASP A 91 -50.211 -12.860 -12.225 1.00 23.32 N ATOM 1182 CA ASP A 91 -51.389 -13.202 -13.015 1.00 21.20 C ATOM 1183 C ASP A 91 -52.668 -12.922 -12.233 1.00 54.31 C ATOM 1184 O ASP A 91 -53.751 -12.828 -12.808 1.00 12.21 O ATOM 1185 CB ASP A 91 -51.341 -14.672 -13.432 1.00 14.52 C ATOM 1186 CG ASP A 91 -50.116 -15.000 -14.262 1.00 34.33 C ATOM 1187 OD1 ASP A 91 -49.637 -14.106 -14.991 1.00 64.14 O ATOM 1188 OD2 ASP A 91 -49.635 -16.151 -14.184 1.00 3.33 O ATOM 0 H ASP A 91 -49.535 -13.618 -12.126 1.00 23.32 H new ATOM 0 HA ASP A 91 -51.389 -12.580 -13.910 1.00 21.20 H new ATOM 0 HB2 ASP A 91 -51.351 -15.300 -12.541 1.00 14.52 H new ATOM 0 HB3 ASP A 91 -52.238 -14.914 -14.002 1.00 14.52 H new ATOM 1192 N ALA A 92 -52.534 -12.794 -10.916 1.00 63.53 N ATOM 1193 CA ALA A 92 -53.679 -12.525 -10.055 1.00 33.24 C ATOM 1194 C ALA A 92 -53.757 -11.047 -9.691 1.00 42.30 C ATOM 1195 O ALA A 92 -54.842 -10.504 -9.483 1.00 61.04 O ATOM 1196 CB ALA A 92 -53.603 -13.376 -8.796 1.00 34.32 C ATOM 0 H ALA A 92 -51.644 -12.872 -10.423 1.00 63.53 H new ATOM 0 HA ALA A 92 -54.584 -12.786 -10.604 1.00 33.24 H new ATOM 0 HB1 ALA A 92 -54.464 -13.165 -8.162 1.00 34.32 H new ATOM 0 HB2 ALA A 92 -53.603 -14.431 -9.069 1.00 34.32 H new ATOM 0 HB3 ALA A 92 -52.687 -13.142 -8.253 1.00 34.32 H new ATOM 1202 N VAL A 93 -52.599 -10.398 -9.616 1.00 4.20 N ATOM 1203 CA VAL A 93 -52.537 -8.980 -9.278 1.00 71.44 C ATOM 1204 C VAL A 93 -52.183 -8.140 -10.499 1.00 61.22 C ATOM 1205 O VAL A 93 -52.810 -7.114 -10.762 1.00 41.23 O ATOM 1206 CB VAL A 93 -51.504 -8.713 -8.167 1.00 72.40 C ATOM 1207 CG1 VAL A 93 -50.132 -8.446 -8.767 1.00 4.31 C ATOM 1208 CG2 VAL A 93 -51.949 -7.550 -7.295 1.00 44.45 C ATOM 0 H VAL A 93 -51.691 -10.831 -9.785 1.00 4.20 H new ATOM 0 HA VAL A 93 -53.526 -8.696 -8.920 1.00 71.44 H new ATOM 0 HB VAL A 93 -51.433 -9.601 -7.539 1.00 72.40 H new ATOM 0 HG11 VAL A 93 -49.415 -8.259 -7.967 1.00 4.31 H new ATOM 0 HG12 VAL A 93 -49.813 -9.313 -9.345 1.00 4.31 H new ATOM 0 HG13 VAL A 93 -50.183 -7.574 -9.419 1.00 4.31 H new ATOM 0 HG21 VAL A 93 -51.208 -7.375 -6.515 1.00 44.45 H new ATOM 0 HG22 VAL A 93 -52.050 -6.654 -7.907 1.00 44.45 H new ATOM 0 HG23 VAL A 93 -52.909 -7.786 -6.836 1.00 44.45 H new ATOM 1218 N GLU A 94 -51.173 -8.581 -11.243 1.00 54.43 N ATOM 1219 CA GLU A 94 -50.735 -7.867 -12.437 1.00 52.34 C ATOM 1220 C GLU A 94 -51.745 -8.033 -13.570 1.00 4.34 C ATOM 1221 O GLU A 94 -51.998 -7.098 -14.331 1.00 15.01 O ATOM 1222 CB GLU A 94 -49.363 -8.373 -12.885 1.00 1.04 C ATOM 1223 CG GLU A 94 -48.485 -7.292 -13.494 1.00 72.33 C ATOM 1224 CD GLU A 94 -47.366 -6.858 -12.567 1.00 52.10 C ATOM 1225 OE1 GLU A 94 -47.666 -6.440 -11.429 1.00 43.23 O ATOM 1226 OE2 GLU A 94 -46.190 -6.937 -12.980 1.00 41.34 O ATOM 0 H GLU A 94 -50.643 -9.429 -11.040 1.00 54.43 H new ATOM 0 HA GLU A 94 -50.661 -6.808 -12.190 1.00 52.34 H new ATOM 0 HB2 GLU A 94 -48.848 -8.808 -12.028 1.00 1.04 H new ATOM 0 HB3 GLU A 94 -49.500 -9.172 -13.614 1.00 1.04 H new ATOM 0 HG2 GLU A 94 -48.057 -7.659 -14.427 1.00 72.33 H new ATOM 0 HG3 GLU A 94 -49.100 -6.428 -13.744 1.00 72.33 H new ATOM 1231 N TYR A 95 -52.318 -9.226 -13.674 1.00 3.34 N ATOM 1232 CA TYR A 95 -53.298 -9.515 -14.715 1.00 30.33 C ATOM 1233 C TYR A 95 -54.689 -9.047 -14.298 1.00 61.03 C ATOM 1234 O TYR A 95 -55.427 -8.467 -15.096 1.00 33.23 O ATOM 1235 CB TYR A 95 -53.321 -11.013 -15.020 1.00 40.03 C ATOM 1236 CG TYR A 95 -54.571 -11.464 -15.741 1.00 40.43 C ATOM 1237 CD1 TYR A 95 -54.677 -11.358 -17.123 1.00 1.44 C ATOM 1238 CD2 TYR A 95 -55.647 -11.997 -15.041 1.00 4.34 C ATOM 1239 CE1 TYR A 95 -55.818 -11.768 -17.785 1.00 64.51 C ATOM 1240 CE2 TYR A 95 -56.791 -12.410 -15.696 1.00 13.21 C ATOM 1241 CZ TYR A 95 -56.872 -12.294 -17.068 1.00 3.21 C ATOM 1242 OH TYR A 95 -58.010 -12.704 -17.723 1.00 1.32 O ATOM 0 H TYR A 95 -52.121 -10.009 -13.051 1.00 3.34 H new ATOM 0 HA TYR A 95 -53.007 -8.973 -15.614 1.00 30.33 H new ATOM 0 HB2 TYR A 95 -52.451 -11.265 -15.626 1.00 40.03 H new ATOM 0 HB3 TYR A 95 -53.230 -11.567 -14.086 1.00 40.03 H new ATOM 0 HD1 TYR A 95 -53.853 -10.948 -17.689 1.00 1.44 H new ATOM 0 HD2 TYR A 95 -55.588 -12.090 -13.967 1.00 4.34 H new ATOM 0 HE1 TYR A 95 -55.884 -11.677 -18.859 1.00 64.51 H new ATOM 0 HE2 TYR A 95 -57.618 -12.822 -15.136 1.00 13.21 H new ATOM 0 HH TYR A 95 -58.655 -13.051 -17.072 1.00 1.32 H new ATOM 1251 N VAL A 96 -55.041 -9.303 -13.042 1.00 31.53 N ATOM 1252 CA VAL A 96 -56.342 -8.907 -12.517 1.00 64.02 C ATOM 1253 C VAL A 96 -56.322 -7.463 -12.029 1.00 75.30 C ATOM 1254 O VAL A 96 -56.990 -6.597 -12.592 1.00 62.34 O ATOM 1255 CB VAL A 96 -56.783 -9.824 -11.360 1.00 0.25 C ATOM 1256 CG1 VAL A 96 -58.272 -9.667 -11.092 1.00 34.24 C ATOM 1257 CG2 VAL A 96 -56.436 -11.273 -11.667 1.00 44.50 C ATOM 0 H VAL A 96 -54.443 -9.783 -12.369 1.00 31.53 H new ATOM 0 HA VAL A 96 -57.055 -9.000 -13.336 1.00 64.02 H new ATOM 0 HB VAL A 96 -56.244 -9.529 -10.459 1.00 0.25 H new ATOM 0 HG11 VAL A 96 -58.565 -10.322 -10.272 1.00 34.24 H new ATOM 0 HG12 VAL A 96 -58.486 -8.632 -10.824 1.00 34.24 H new ATOM 0 HG13 VAL A 96 -58.833 -9.934 -11.988 1.00 34.24 H new ATOM 0 HG21 VAL A 96 -56.755 -11.907 -10.839 1.00 44.50 H new ATOM 0 HG22 VAL A 96 -56.946 -11.584 -12.579 1.00 44.50 H new ATOM 0 HG23 VAL A 96 -55.359 -11.368 -11.803 1.00 44.50 H new ATOM 1267 N SER A 97 -55.549 -7.211 -10.977 1.00 14.11 N ATOM 1268 CA SER A 97 -55.444 -5.872 -10.410 1.00 52.40 C ATOM 1269 C SER A 97 -54.865 -4.895 -11.428 1.00 24.44 C ATOM 1270 O SER A 97 -55.016 -3.680 -11.295 1.00 75.54 O ATOM 1271 CB SER A 97 -54.569 -5.895 -9.154 1.00 45.11 C ATOM 1272 OG SER A 97 -53.434 -5.062 -9.309 1.00 73.11 O ATOM 0 H SER A 97 -54.987 -7.916 -10.501 1.00 14.11 H new ATOM 0 HA SER A 97 -56.446 -5.538 -10.141 1.00 52.40 H new ATOM 0 HB2 SER A 97 -55.152 -5.564 -8.294 1.00 45.11 H new ATOM 0 HB3 SER A 97 -54.249 -6.917 -8.948 1.00 45.11 H new ATOM 0 HG SER A 97 -52.790 -5.494 -9.909 1.00 73.11 H new ATOM 1277 N GLY A 98 -54.201 -5.434 -12.446 1.00 42.22 N ATOM 1278 CA GLY A 98 -53.610 -4.596 -13.473 1.00 41.22 C ATOM 1279 C GLY A 98 -54.570 -4.305 -14.609 1.00 42.01 C ATOM 1280 O GLY A 98 -54.384 -3.347 -15.359 1.00 74.41 O ATOM 0 H GLY A 98 -54.062 -6.436 -12.578 1.00 42.22 H new ATOM 0 HA2 GLY A 98 -53.284 -3.656 -13.027 1.00 41.22 H new ATOM 0 HA3 GLY A 98 -52.721 -5.086 -13.870 1.00 41.22 H new ATOM 1283 N ARG A 99 -55.602 -5.134 -14.737 1.00 14.43 N ATOM 1284 CA ARG A 99 -56.594 -4.962 -15.792 1.00 34.03 C ATOM 1285 C ARG A 99 -57.688 -3.993 -15.356 1.00 1.34 C ATOM 1286 O ARG A 99 -58.048 -3.075 -16.093 1.00 2.15 O ATOM 1287 CB ARG A 99 -57.212 -6.311 -16.164 1.00 73.14 C ATOM 1288 CG ARG A 99 -56.528 -6.992 -17.338 1.00 21.21 C ATOM 1289 CD ARG A 99 -57.147 -6.573 -18.663 1.00 11.30 C ATOM 1290 NE ARG A 99 -56.364 -5.536 -19.330 1.00 72.43 N ATOM 1291 CZ ARG A 99 -56.658 -5.053 -20.532 1.00 41.24 C ATOM 1292 NH1 ARG A 99 -57.713 -5.509 -21.194 1.00 0.12 N ATOM 1293 NH2 ARG A 99 -55.897 -4.111 -21.074 1.00 40.24 N ATOM 0 H ARG A 99 -55.773 -5.931 -14.123 1.00 14.43 H new ATOM 0 HA ARG A 99 -56.091 -4.547 -16.665 1.00 34.03 H new ATOM 0 HB2 ARG A 99 -57.171 -6.971 -15.298 1.00 73.14 H new ATOM 0 HB3 ARG A 99 -58.265 -6.165 -16.403 1.00 73.14 H new ATOM 0 HG2 ARG A 99 -55.467 -6.744 -17.336 1.00 21.21 H new ATOM 0 HG3 ARG A 99 -56.602 -8.074 -17.226 1.00 21.21 H new ATOM 0 HD2 ARG A 99 -57.228 -7.442 -19.316 1.00 11.30 H new ATOM 0 HD3 ARG A 99 -58.160 -6.208 -18.491 1.00 11.30 H new ATOM 0 HE ARG A 99 -55.547 -5.162 -18.847 1.00 72.43 H new ATOM 0 HH11 ARG A 99 -58.301 -6.232 -20.780 1.00 0.12 H new ATOM 0 HH12 ARG A 99 -57.936 -5.136 -22.117 1.00 0.12 H new ATOM 0 HH21 ARG A 99 -55.085 -3.757 -20.568 1.00 40.24 H new ATOM 0 HH22 ARG A 99 -56.124 -3.741 -21.997 1.00 40.24 H new ATOM 1304 N VAL A 100 -58.213 -4.202 -14.153 1.00 14.41 N ATOM 1305 CA VAL A 100 -59.265 -3.346 -13.619 1.00 41.52 C ATOM 1306 C VAL A 100 -58.753 -1.931 -13.376 1.00 11.12 C ATOM 1307 O VAL A 100 -59.489 -0.956 -13.533 1.00 72.04 O ATOM 1308 CB VAL A 100 -59.832 -3.908 -12.301 1.00 73.41 C ATOM 1309 CG1 VAL A 100 -58.831 -3.728 -11.170 1.00 44.45 C ATOM 1310 CG2 VAL A 100 -61.157 -3.243 -11.963 1.00 24.42 C ATOM 0 H VAL A 100 -57.927 -4.957 -13.530 1.00 14.41 H new ATOM 0 HA VAL A 100 -60.059 -3.319 -14.365 1.00 41.52 H new ATOM 0 HB VAL A 100 -60.011 -4.975 -12.429 1.00 73.41 H new ATOM 0 HG11 VAL A 100 -59.248 -4.131 -10.247 1.00 44.45 H new ATOM 0 HG12 VAL A 100 -57.909 -4.257 -11.412 1.00 44.45 H new ATOM 0 HG13 VAL A 100 -58.617 -2.667 -11.039 1.00 44.45 H new ATOM 0 HG21 VAL A 100 -61.542 -3.653 -11.029 1.00 24.42 H new ATOM 0 HG22 VAL A 100 -61.008 -2.169 -11.854 1.00 24.42 H new ATOM 0 HG23 VAL A 100 -61.873 -3.430 -12.764 1.00 24.42 H new ATOM 1320 N HIS A 101 -57.484 -1.825 -12.991 1.00 41.12 N ATOM 1321 CA HIS A 101 -56.872 -0.528 -12.727 1.00 0.25 C ATOM 1322 C HIS A 101 -57.014 0.395 -13.933 1.00 32.14 C ATOM 1323 O HIS A 101 -57.094 1.615 -13.789 1.00 52.50 O ATOM 1324 CB HIS A 101 -55.394 -0.700 -12.374 1.00 54.34 C ATOM 1325 CG HIS A 101 -55.125 -0.677 -10.900 1.00 20.21 C ATOM 1326 ND1 HIS A 101 -53.872 -0.454 -10.369 1.00 34.05 N ATOM 1327 CD2 HIS A 101 -55.955 -0.847 -9.846 1.00 12.24 C ATOM 1328 CE1 HIS A 101 -53.943 -0.491 -9.051 1.00 14.43 C ATOM 1329 NE2 HIS A 101 -55.196 -0.727 -8.707 1.00 1.42 N ATOM 0 H HIS A 101 -56.861 -2.621 -12.855 1.00 41.12 H new ATOM 0 HA HIS A 101 -57.390 -0.075 -11.881 1.00 0.25 H new ATOM 0 HB2 HIS A 101 -55.038 -1.644 -12.786 1.00 54.34 H new ATOM 0 HB3 HIS A 101 -54.820 0.093 -12.853 1.00 54.34 H new ATOM 0 HD2 HIS A 101 -57.016 -1.041 -9.891 1.00 12.24 H new ATOM 0 HE1 HIS A 101 -53.117 -0.352 -8.370 1.00 14.43 H new ATOM 0 HE2 HIS A 101 -55.544 -0.807 -7.751 1.00 1.42 H new