USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=11 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+ 166:sc=-0.00034 (180deg=-0.118) 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= -0.0123 X(o=-0.012,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.0512 X(o=-0.051,f=0) USER MOD Single : A 57 HIS : no HD1:sc= -1.04 X(o=-1,f=-0.56) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.465 F(o=-2.8!,f=-0.47) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -4.48! C(o=-4.5!,f=-6.8!) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.475 X(o=-0.47,f=-0.48) USER MOD ----------------------------------------------------------------- ATOM 280 N LYS A 23 -5.644 31.814 17.476 1.00 13.32 N ATOM 281 CA LYS A 23 -6.849 31.198 16.935 1.00 22.32 C ATOM 282 C LYS A 23 -6.647 30.791 15.479 1.00 43.35 C ATOM 283 O LYS A 23 -6.554 29.604 15.164 1.00 65.24 O ATOM 284 CB LYS A 23 -8.032 32.162 17.047 1.00 72.54 C ATOM 285 CG LYS A 23 -7.670 33.608 16.755 1.00 54.42 C ATOM 286 CD LYS A 23 -8.649 34.243 15.782 1.00 13.21 C ATOM 287 CE LYS A 23 -10.075 34.187 16.311 1.00 31.24 C ATOM 288 NZ LYS A 23 -11.036 34.849 15.385 1.00 15.10 N ATOM 0 HA LYS A 23 -7.061 30.301 17.517 1.00 22.32 H new ATOM 0 HB2 LYS A 23 -8.814 31.846 16.356 1.00 72.54 H new ATOM 0 HB3 LYS A 23 -8.449 32.097 18.052 1.00 72.54 H new ATOM 0 HG2 LYS A 23 -7.660 34.176 17.685 1.00 54.42 H new ATOM 0 HG3 LYS A 23 -6.663 33.655 16.342 1.00 54.42 H new ATOM 0 HD2 LYS A 23 -8.366 35.281 15.604 1.00 13.21 H new ATOM 0 HD3 LYS A 23 -8.595 33.729 14.822 1.00 13.21 H new ATOM 0 HE2 LYS A 23 -10.368 33.147 16.456 1.00 31.24 H new ATOM 0 HE3 LYS A 23 -10.120 34.670 17.287 1.00 31.24 H new ATOM 0 HZ1 LYS A 23 -11.996 34.790 15.781 1.00 15.10 H new ATOM 0 HZ2 LYS A 23 -10.772 35.848 15.266 1.00 15.10 H new ATOM 0 HZ3 LYS A 23 -11.012 34.372 14.461 1.00 15.10 H new ATOM 298 N SER A 24 -6.579 31.781 14.597 1.00 35.42 N ATOM 299 CA SER A 24 -6.390 31.525 13.173 1.00 24.31 C ATOM 300 C SER A 24 -5.341 30.441 12.951 1.00 32.11 C ATOM 301 O SER A 24 -5.388 29.709 11.962 1.00 12.11 O ATOM 302 CB SER A 24 -5.973 32.810 12.453 1.00 52.15 C ATOM 303 OG SER A 24 -6.719 32.991 11.262 1.00 3.02 O ATOM 0 H SER A 24 -6.652 32.768 14.842 1.00 35.42 H new ATOM 0 HA SER A 24 -7.338 31.178 12.762 1.00 24.31 H new ATOM 0 HB2 SER A 24 -6.122 33.665 13.113 1.00 52.15 H new ATOM 0 HB3 SER A 24 -4.910 32.770 12.217 1.00 52.15 H new ATOM 0 HG SER A 24 -6.436 33.819 10.821 1.00 3.02 H new ATOM 308 N TYR A 25 -4.394 30.343 13.878 1.00 64.34 N ATOM 309 CA TYR A 25 -3.332 29.349 13.784 1.00 24.14 C ATOM 310 C TYR A 25 -3.769 28.024 14.398 1.00 11.33 C ATOM 311 O TYR A 25 -3.746 26.985 13.739 1.00 42.52 O ATOM 312 CB TYR A 25 -2.068 29.857 14.482 1.00 42.35 C ATOM 313 CG TYR A 25 -1.514 31.129 13.883 1.00 12.20 C ATOM 314 CD1 TYR A 25 -2.252 32.305 13.893 1.00 22.21 C ATOM 315 CD2 TYR A 25 -0.249 31.154 13.308 1.00 74.31 C ATOM 316 CE1 TYR A 25 -1.750 33.469 13.346 1.00 25.14 C ATOM 317 CE2 TYR A 25 0.263 32.314 12.760 1.00 12.04 C ATOM 318 CZ TYR A 25 -0.491 33.469 12.780 1.00 23.52 C ATOM 319 OH TYR A 25 0.014 34.627 12.235 1.00 23.12 O ATOM 0 H TYR A 25 -4.341 30.940 14.703 1.00 64.34 H new ATOM 0 HA TYR A 25 -3.115 29.184 12.729 1.00 24.14 H new ATOM 0 HB2 TYR A 25 -2.289 30.028 15.536 1.00 42.35 H new ATOM 0 HB3 TYR A 25 -1.303 29.082 14.439 1.00 42.35 H new ATOM 0 HD1 TYR A 25 -3.237 32.309 14.337 1.00 22.21 H new ATOM 0 HD2 TYR A 25 0.344 30.251 13.289 1.00 74.31 H new ATOM 0 HE1 TYR A 25 -2.339 34.374 13.361 1.00 25.14 H new ATOM 0 HE2 TYR A 25 1.248 32.317 12.318 1.00 12.04 H new ATOM 0 HH TYR A 25 0.911 34.457 11.880 1.00 23.12 H new ATOM 328 N ALA A 26 -4.167 28.068 15.665 1.00 33.53 N ATOM 329 CA ALA A 26 -4.614 26.872 16.368 1.00 1.22 C ATOM 330 C ALA A 26 -5.976 26.412 15.860 1.00 63.00 C ATOM 331 O ALA A 26 -6.164 25.239 15.541 1.00 30.43 O ATOM 332 CB ALA A 26 -4.666 27.130 17.867 1.00 70.33 C ATOM 0 H ALA A 26 -4.189 28.920 16.226 1.00 33.53 H new ATOM 0 HA ALA A 26 -3.896 26.076 16.172 1.00 1.22 H new ATOM 0 HB1 ALA A 26 -5.001 26.229 18.380 1.00 70.33 H new ATOM 0 HB2 ALA A 26 -3.673 27.402 18.224 1.00 70.33 H new ATOM 0 HB3 ALA A 26 -5.361 27.944 18.072 1.00 70.33 H new ATOM 338 N GLU A 27 -6.921 27.343 15.790 1.00 31.33 N ATOM 339 CA GLU A 27 -8.266 27.032 15.321 1.00 73.24 C ATOM 340 C GLU A 27 -8.219 26.247 14.013 1.00 64.24 C ATOM 341 O GLU A 27 -8.762 25.147 13.918 1.00 61.12 O ATOM 342 CB GLU A 27 -9.075 28.316 15.130 1.00 35.45 C ATOM 343 CG GLU A 27 -10.543 28.072 14.825 1.00 34.42 C ATOM 344 CD GLU A 27 -11.454 28.493 15.962 1.00 1.41 C ATOM 345 OE1 GLU A 27 -11.533 27.750 16.963 1.00 23.41 O ATOM 346 OE2 GLU A 27 -12.086 29.564 15.852 1.00 22.12 O ATOM 0 H GLU A 27 -6.781 28.319 16.052 1.00 31.33 H new ATOM 0 HA GLU A 27 -8.752 26.415 16.077 1.00 73.24 H new ATOM 0 HB2 GLU A 27 -8.996 28.922 16.032 1.00 35.45 H new ATOM 0 HB3 GLU A 27 -8.635 28.895 14.318 1.00 35.45 H new ATOM 0 HG2 GLU A 27 -10.818 28.618 13.923 1.00 34.42 H new ATOM 0 HG3 GLU A 27 -10.695 27.013 14.616 1.00 34.42 H new ATOM 351 N GLN A 28 -7.567 26.823 13.008 1.00 10.31 N ATOM 352 CA GLN A 28 -7.450 26.179 11.705 1.00 63.23 C ATOM 353 C GLN A 28 -7.022 24.723 11.854 1.00 61.41 C ATOM 354 O GLN A 28 -7.493 23.850 11.127 1.00 10.22 O ATOM 355 CB GLN A 28 -6.446 26.931 10.830 1.00 0.41 C ATOM 356 CG GLN A 28 -7.096 27.772 9.743 1.00 60.34 C ATOM 357 CD GLN A 28 -6.242 27.874 8.495 1.00 33.33 C ATOM 358 OE1 GLN A 28 -6.143 26.924 7.717 1.00 11.15 O ATOM 359 NE2 GLN A 28 -5.620 29.030 8.296 1.00 31.44 N ATOM 0 H GLN A 28 -7.112 27.734 13.071 1.00 10.31 H new ATOM 0 HA GLN A 28 -8.429 26.204 11.226 1.00 63.23 H new ATOM 0 HB2 GLN A 28 -5.838 27.577 11.463 1.00 0.41 H new ATOM 0 HB3 GLN A 28 -5.771 26.212 10.366 1.00 0.41 H new ATOM 0 HG2 GLN A 28 -8.062 27.339 9.483 1.00 60.34 H new ATOM 0 HG3 GLN A 28 -7.289 28.773 10.130 1.00 60.34 H new ATOM 0 HE21 GLN A 28 -5.730 29.791 8.967 1.00 31.44 H new ATOM 0 HE22 GLN A 28 -5.032 29.158 7.472 1.00 31.44 H new ATOM 366 N GLY A 29 -6.125 24.468 12.803 1.00 31.53 N ATOM 367 CA GLY A 29 -5.649 23.117 13.029 1.00 41.34 C ATOM 368 C GLY A 29 -6.705 22.226 13.651 1.00 64.43 C ATOM 369 O GLY A 29 -6.908 21.092 13.215 1.00 60.34 O ATOM 0 H GLY A 29 -5.720 25.174 13.418 1.00 31.53 H new ATOM 0 HA2 GLY A 29 -5.327 22.686 12.081 1.00 41.34 H new ATOM 0 HA3 GLY A 29 -4.775 23.147 13.679 1.00 41.34 H new ATOM 372 N LYS A 30 -7.381 22.738 14.675 1.00 33.10 N ATOM 373 CA LYS A 30 -8.423 21.981 15.358 1.00 64.34 C ATOM 374 C LYS A 30 -9.607 21.725 14.432 1.00 75.10 C ATOM 375 O LYS A 30 -10.112 20.606 14.349 1.00 65.13 O ATOM 376 CB LYS A 30 -8.893 22.733 16.606 1.00 12.13 C ATOM 377 CG LYS A 30 -8.510 22.049 17.908 1.00 23.43 C ATOM 378 CD LYS A 30 -8.476 23.034 19.065 1.00 1.14 C ATOM 379 CE LYS A 30 -9.865 23.264 19.642 1.00 33.33 C ATOM 380 NZ LYS A 30 -10.337 22.094 20.433 1.00 22.52 N ATOM 0 H LYS A 30 -7.225 23.674 15.050 1.00 33.10 H new ATOM 0 HA LYS A 30 -8.003 21.020 15.655 1.00 64.34 H new ATOM 0 HB2 LYS A 30 -8.471 23.738 16.595 1.00 12.13 H new ATOM 0 HB3 LYS A 30 -9.977 22.842 16.568 1.00 12.13 H new ATOM 0 HG2 LYS A 30 -9.223 21.254 18.126 1.00 23.43 H new ATOM 0 HG3 LYS A 30 -7.532 21.579 17.800 1.00 23.43 H new ATOM 0 HD2 LYS A 30 -7.814 22.658 19.845 1.00 1.14 H new ATOM 0 HD3 LYS A 30 -8.060 23.983 18.725 1.00 1.14 H new ATOM 0 HE2 LYS A 30 -9.853 24.150 20.276 1.00 33.33 H new ATOM 0 HE3 LYS A 30 -10.567 23.462 18.832 1.00 33.33 H new ATOM 0 HZ1 LYS A 30 -11.165 22.369 20.999 1.00 22.52 H new ATOM 0 HZ2 LYS A 30 -10.600 21.322 19.788 1.00 22.52 H new ATOM 0 HZ3 LYS A 30 -9.576 21.773 21.066 1.00 22.52 H new ATOM 390 N GLU A 31 -10.045 22.769 13.735 1.00 20.13 N ATOM 391 CA GLU A 31 -11.169 22.656 12.813 1.00 72.05 C ATOM 392 C GLU A 31 -11.044 21.400 11.955 1.00 63.41 C ATOM 393 O GLU A 31 -12.045 20.796 11.570 1.00 64.21 O ATOM 394 CB GLU A 31 -11.250 23.894 11.917 1.00 74.14 C ATOM 395 CG GLU A 31 -11.414 25.193 12.687 1.00 63.34 C ATOM 396 CD GLU A 31 -12.739 25.874 12.407 1.00 34.22 C ATOM 397 OE1 GLU A 31 -13.068 26.062 11.217 1.00 60.45 O ATOM 398 OE2 GLU A 31 -13.446 26.219 13.377 1.00 72.41 O ATOM 0 H GLU A 31 -9.638 23.703 13.791 1.00 20.13 H new ATOM 0 HA GLU A 31 -12.083 22.583 13.402 1.00 72.05 H new ATOM 0 HB2 GLU A 31 -10.346 23.953 11.310 1.00 74.14 H new ATOM 0 HB3 GLU A 31 -12.088 23.780 11.230 1.00 74.14 H new ATOM 0 HG2 GLU A 31 -11.332 24.991 13.755 1.00 63.34 H new ATOM 0 HG3 GLU A 31 -10.600 25.870 12.428 1.00 63.34 H new ATOM 403 N TYR A 32 -9.808 21.014 11.658 1.00 64.13 N ATOM 404 CA TYR A 32 -9.551 19.833 10.843 1.00 40.44 C ATOM 405 C TYR A 32 -9.689 18.559 11.671 1.00 64.34 C ATOM 406 O TYR A 32 -10.194 17.544 11.189 1.00 22.13 O ATOM 407 CB TYR A 32 -8.152 19.906 10.229 1.00 43.30 C ATOM 408 CG TYR A 32 -7.727 18.631 9.538 1.00 75.33 C ATOM 409 CD1 TYR A 32 -7.414 17.491 10.270 1.00 72.30 C ATOM 410 CD2 TYR A 32 -7.638 18.564 8.153 1.00 15.33 C ATOM 411 CE1 TYR A 32 -7.024 16.324 9.642 1.00 63.23 C ATOM 412 CE2 TYR A 32 -7.250 17.400 7.517 1.00 30.21 C ATOM 413 CZ TYR A 32 -6.945 16.283 8.265 1.00 3.21 C ATOM 414 OH TYR A 32 -6.557 15.123 7.636 1.00 74.33 O ATOM 0 H TYR A 32 -8.968 21.502 11.970 1.00 64.13 H new ATOM 0 HA TYR A 32 -10.291 19.807 10.043 1.00 40.44 H new ATOM 0 HB2 TYR A 32 -8.122 20.726 9.511 1.00 43.30 H new ATOM 0 HB3 TYR A 32 -7.432 20.142 11.013 1.00 43.30 H new ATOM 0 HD1 TYR A 32 -7.477 17.518 11.348 1.00 72.30 H new ATOM 0 HD2 TYR A 32 -7.876 19.437 7.563 1.00 15.33 H new ATOM 0 HE1 TYR A 32 -6.782 15.448 10.226 1.00 63.23 H new ATOM 0 HE2 TYR A 32 -7.186 17.366 6.439 1.00 30.21 H new ATOM 0 HH TYR A 32 -6.554 15.262 6.666 1.00 74.33 H new ATOM 423 N ILE A 33 -9.239 18.621 12.920 1.00 10.31 N ATOM 424 CA ILE A 33 -9.313 17.474 13.816 1.00 75.41 C ATOM 425 C ILE A 33 -10.701 17.352 14.438 1.00 1.52 C ATOM 426 O ILE A 33 -11.378 16.336 14.278 1.00 62.31 O ATOM 427 CB ILE A 33 -8.265 17.569 14.940 1.00 44.21 C ATOM 428 CG1 ILE A 33 -6.890 17.143 14.422 1.00 71.24 C ATOM 429 CG2 ILE A 33 -8.681 16.710 16.126 1.00 14.45 C ATOM 430 CD1 ILE A 33 -6.262 18.146 13.480 1.00 43.53 C ATOM 0 H ILE A 33 -8.819 19.453 13.334 1.00 10.31 H new ATOM 0 HA ILE A 33 -9.108 16.589 13.214 1.00 75.41 H new ATOM 0 HB ILE A 33 -8.202 18.605 15.272 1.00 44.21 H new ATOM 0 HG12 ILE A 33 -6.224 16.987 15.270 1.00 71.24 H new ATOM 0 HG13 ILE A 33 -6.984 16.185 13.910 1.00 71.24 H new ATOM 0 HG21 ILE A 33 -7.930 16.787 16.912 1.00 14.45 H new ATOM 0 HG22 ILE A 33 -9.642 17.056 16.506 1.00 14.45 H new ATOM 0 HG23 ILE A 33 -8.769 15.671 15.809 1.00 14.45 H new ATOM 0 HD11 ILE A 33 -5.289 17.778 13.153 1.00 43.53 H new ATOM 0 HD12 ILE A 33 -6.908 18.285 12.613 1.00 43.53 H new ATOM 0 HD13 ILE A 33 -6.135 19.099 13.994 1.00 43.53 H new ATOM 441 N THR A 34 -11.119 18.395 15.148 1.00 41.23 N ATOM 442 CA THR A 34 -12.425 18.406 15.794 1.00 31.23 C ATOM 443 C THR A 34 -13.467 17.694 14.938 1.00 3.30 C ATOM 444 O THR A 34 -14.225 16.859 15.433 1.00 43.11 O ATOM 445 CB THR A 34 -12.902 19.844 16.072 1.00 44.41 C ATOM 446 OG1 THR A 34 -14.258 19.829 16.533 1.00 30.51 O ATOM 447 CG2 THR A 34 -12.794 20.702 14.822 1.00 24.31 C ATOM 0 H THR A 34 -10.571 19.244 15.290 1.00 41.23 H new ATOM 0 HA THR A 34 -12.314 17.878 16.741 1.00 31.23 H new ATOM 0 HB THR A 34 -12.262 20.273 16.842 1.00 44.41 H new ATOM 0 HG1 THR A 34 -14.554 20.747 16.709 1.00 30.51 H new ATOM 0 HG21 THR A 34 -13.137 21.713 15.044 1.00 24.31 H new ATOM 0 HG22 THR A 34 -11.756 20.735 14.492 1.00 24.31 H new ATOM 0 HG23 THR A 34 -13.412 20.274 14.033 1.00 24.31 H new ATOM 604 N PRO A 46 -12.237 -0.254 20.442 1.00 51.42 N ATOM 605 CA PRO A 46 -12.236 -1.587 19.832 1.00 44.41 C ATOM 606 C PRO A 46 -13.353 -2.473 20.375 1.00 12.22 C ATOM 607 O PRO A 46 -13.723 -3.469 19.754 1.00 42.41 O ATOM 608 CB PRO A 46 -10.868 -2.154 20.220 1.00 12.01 C ATOM 609 CG PRO A 46 -10.496 -1.429 21.466 1.00 22.43 C ATOM 610 CD PRO A 46 -11.082 -0.049 21.334 1.00 14.12 C ATOM 0 HA PRO A 46 -12.405 -1.543 18.756 1.00 44.41 H new ATOM 0 HB2 PRO A 46 -10.919 -3.230 20.388 1.00 12.01 H new ATOM 0 HB3 PRO A 46 -10.133 -1.989 19.432 1.00 12.01 H new ATOM 0 HG2 PRO A 46 -10.890 -1.938 22.346 1.00 22.43 H new ATOM 0 HG3 PRO A 46 -9.413 -1.384 21.582 1.00 22.43 H new ATOM 0 HD2 PRO A 46 -11.387 0.353 22.300 1.00 14.12 H new ATOM 0 HD3 PRO A 46 -10.365 0.653 20.909 1.00 14.12 H new ATOM 615 N GLU A 47 -13.886 -2.102 21.534 1.00 4.31 N ATOM 616 CA GLU A 47 -14.960 -2.864 22.160 1.00 13.01 C ATOM 617 C GLU A 47 -16.324 -2.372 21.684 1.00 2.12 C ATOM 618 O GLU A 47 -17.361 -2.885 22.103 1.00 52.35 O ATOM 619 CB GLU A 47 -14.870 -2.761 23.683 1.00 64.31 C ATOM 620 CG GLU A 47 -14.751 -1.333 24.189 1.00 65.15 C ATOM 621 CD GLU A 47 -14.977 -1.224 25.685 1.00 2.02 C ATOM 622 OE1 GLU A 47 -15.962 -1.810 26.180 1.00 42.44 O ATOM 623 OE2 GLU A 47 -14.170 -0.552 26.360 1.00 1.31 O ATOM 0 H GLU A 47 -13.592 -1.278 22.059 1.00 4.31 H new ATOM 0 HA GLU A 47 -14.847 -3.908 21.868 1.00 13.01 H new ATOM 0 HB2 GLU A 47 -15.755 -3.221 24.123 1.00 64.31 H new ATOM 0 HB3 GLU A 47 -14.008 -3.333 24.027 1.00 64.31 H new ATOM 0 HG2 GLU A 47 -13.761 -0.946 23.946 1.00 65.15 H new ATOM 0 HG3 GLU A 47 -15.475 -0.706 23.669 1.00 65.15 H new ATOM 628 N ASP A 48 -16.313 -1.373 20.808 1.00 52.10 N ATOM 629 CA ASP A 48 -17.548 -0.811 20.275 1.00 74.53 C ATOM 630 C ASP A 48 -18.307 -1.848 19.452 1.00 21.24 C ATOM 631 O ASP A 48 -19.480 -1.663 19.132 1.00 30.13 O ATOM 632 CB ASP A 48 -17.246 0.418 19.417 1.00 12.21 C ATOM 633 CG ASP A 48 -16.721 0.050 18.043 1.00 53.11 C ATOM 634 OD1 ASP A 48 -15.973 -0.946 17.940 1.00 63.33 O ATOM 635 OD2 ASP A 48 -17.058 0.756 17.071 1.00 33.24 O ATOM 0 H ASP A 48 -15.463 -0.936 20.452 1.00 52.10 H new ATOM 0 HA ASP A 48 -18.174 -0.512 21.116 1.00 74.53 H new ATOM 0 HB2 ASP A 48 -18.152 1.014 19.309 1.00 12.21 H new ATOM 0 HB3 ASP A 48 -16.513 1.043 19.927 1.00 12.21 H new ATOM 639 N ASN A 49 -17.626 -2.938 19.111 1.00 60.55 N ATOM 640 CA ASN A 49 -18.236 -4.004 18.324 1.00 30.11 C ATOM 641 C ASN A 49 -19.458 -4.576 19.036 1.00 15.01 C ATOM 642 O ASN A 49 -20.340 -5.161 18.406 1.00 60.35 O ATOM 643 CB ASN A 49 -17.219 -5.115 18.058 1.00 13.22 C ATOM 644 CG ASN A 49 -17.726 -6.136 17.058 1.00 32.43 C ATOM 645 OD1 ASN A 49 -17.840 -7.322 17.368 1.00 22.43 O ATOM 646 ND2 ASN A 49 -18.033 -5.678 15.850 1.00 20.05 N ATOM 0 H ASN A 49 -16.653 -3.106 19.367 1.00 60.55 H new ATOM 0 HA ASN A 49 -18.558 -3.581 17.373 1.00 30.11 H new ATOM 0 HB2 ASN A 49 -16.293 -4.675 17.686 1.00 13.22 H new ATOM 0 HB3 ASN A 49 -16.980 -5.617 18.996 1.00 13.22 H new ATOM 0 HD21 ASN A 49 -18.379 -6.318 15.135 1.00 20.05 H new ATOM 0 HD22 ASN A 49 -17.923 -4.687 15.637 1.00 20.05 H new ATOM 652 N LYS A 50 -19.502 -4.404 20.353 1.00 74.51 N ATOM 653 CA LYS A 50 -20.616 -4.901 21.151 1.00 40.25 C ATOM 654 C LYS A 50 -21.788 -3.926 21.118 1.00 62.14 C ATOM 655 O LYS A 50 -22.924 -4.294 21.418 1.00 41.20 O ATOM 656 CB LYS A 50 -20.171 -5.130 22.598 1.00 14.02 C ATOM 657 CG LYS A 50 -20.157 -3.865 23.438 1.00 73.51 C ATOM 658 CD LYS A 50 -21.291 -3.857 24.450 1.00 21.22 C ATOM 659 CE LYS A 50 -20.873 -3.186 25.750 1.00 1.13 C ATOM 660 NZ LYS A 50 -20.266 -4.155 26.704 1.00 34.33 N ATOM 0 H LYS A 50 -18.779 -3.924 20.890 1.00 74.51 H new ATOM 0 HA LYS A 50 -20.942 -5.848 20.722 1.00 40.25 H new ATOM 0 HB2 LYS A 50 -20.836 -5.857 23.063 1.00 14.02 H new ATOM 0 HB3 LYS A 50 -19.172 -5.567 22.597 1.00 14.02 H new ATOM 0 HG2 LYS A 50 -19.203 -3.783 23.958 1.00 73.51 H new ATOM 0 HG3 LYS A 50 -20.242 -2.994 22.788 1.00 73.51 H new ATOM 0 HD2 LYS A 50 -22.151 -3.335 24.030 1.00 21.22 H new ATOM 0 HD3 LYS A 50 -21.607 -4.880 24.653 1.00 21.22 H new ATOM 0 HE2 LYS A 50 -20.158 -2.392 25.535 1.00 1.13 H new ATOM 0 HE3 LYS A 50 -21.742 -2.717 26.212 1.00 1.13 H new ATOM 0 HZ1 LYS A 50 -19.995 -3.659 27.577 1.00 34.33 H new ATOM 0 HZ2 LYS A 50 -20.956 -4.899 26.929 1.00 34.33 H new ATOM 0 HZ3 LYS A 50 -19.422 -4.584 26.273 1.00 34.33 H new ATOM 670 N GLY A 51 -21.505 -2.680 20.750 1.00 64.33 N ATOM 671 CA GLY A 51 -22.547 -1.672 20.684 1.00 5.31 C ATOM 672 C GLY A 51 -23.752 -2.135 19.890 1.00 64.21 C ATOM 673 O GLY A 51 -24.874 -1.690 20.134 1.00 25.13 O ATOM 0 H GLY A 51 -20.573 -2.351 20.497 1.00 64.33 H new ATOM 0 HA2 GLY A 51 -22.860 -1.411 21.695 1.00 5.31 H new ATOM 0 HA3 GLY A 51 -22.144 -0.766 20.231 1.00 5.31 H new ATOM 676 N VAL A 52 -23.522 -3.031 18.936 1.00 14.12 N ATOM 677 CA VAL A 52 -24.598 -3.555 18.104 1.00 33.42 C ATOM 678 C VAL A 52 -25.616 -4.322 18.940 1.00 14.25 C ATOM 679 O VAL A 52 -26.812 -4.308 18.647 1.00 44.33 O ATOM 680 CB VAL A 52 -24.054 -4.481 16.999 1.00 1.21 C ATOM 681 CG1 VAL A 52 -22.912 -3.808 16.252 1.00 62.22 C ATOM 682 CG2 VAL A 52 -23.604 -5.808 17.592 1.00 72.40 C ATOM 0 H VAL A 52 -22.600 -3.409 18.720 1.00 14.12 H new ATOM 0 HA VAL A 52 -25.086 -2.697 17.641 1.00 33.42 H new ATOM 0 HB VAL A 52 -24.855 -4.679 16.287 1.00 1.21 H new ATOM 0 HG11 VAL A 52 -22.541 -4.477 15.476 1.00 62.22 H new ATOM 0 HG12 VAL A 52 -23.270 -2.885 15.795 1.00 62.22 H new ATOM 0 HG13 VAL A 52 -22.106 -3.579 16.949 1.00 62.22 H new ATOM 0 HG21 VAL A 52 -23.223 -6.450 16.798 1.00 72.40 H new ATOM 0 HG22 VAL A 52 -22.817 -5.631 18.325 1.00 72.40 H new ATOM 0 HG23 VAL A 52 -24.450 -6.295 18.078 1.00 72.40 H new ATOM 692 N PHE A 53 -25.133 -4.992 19.981 1.00 31.34 N ATOM 693 CA PHE A 53 -26.002 -5.767 20.860 1.00 21.04 C ATOM 694 C PHE A 53 -26.504 -4.912 22.019 1.00 2.11 C ATOM 695 O PHE A 53 -27.295 -5.369 22.843 1.00 2.01 O ATOM 696 CB PHE A 53 -25.256 -6.989 21.400 1.00 34.32 C ATOM 697 CG PHE A 53 -25.649 -8.275 20.729 1.00 75.11 C ATOM 698 CD1 PHE A 53 -25.874 -8.319 19.363 1.00 21.45 C ATOM 699 CD2 PHE A 53 -25.793 -9.439 21.465 1.00 41.42 C ATOM 700 CE1 PHE A 53 -26.236 -9.500 18.742 1.00 24.01 C ATOM 701 CE2 PHE A 53 -26.154 -10.624 20.850 1.00 64.22 C ATOM 702 CZ PHE A 53 -26.376 -10.654 19.488 1.00 32.11 C ATOM 0 H PHE A 53 -24.146 -5.014 20.237 1.00 31.34 H new ATOM 0 HA PHE A 53 -26.861 -6.101 20.279 1.00 21.04 H new ATOM 0 HB2 PHE A 53 -24.184 -6.835 21.274 1.00 34.32 H new ATOM 0 HB3 PHE A 53 -25.442 -7.075 22.470 1.00 34.32 H new ATOM 0 HD1 PHE A 53 -25.765 -7.419 18.776 1.00 21.45 H new ATOM 0 HD2 PHE A 53 -25.622 -9.421 22.531 1.00 41.42 H new ATOM 0 HE1 PHE A 53 -26.409 -9.520 17.676 1.00 24.01 H new ATOM 0 HE2 PHE A 53 -26.262 -11.525 21.435 1.00 64.22 H new ATOM 0 HZ PHE A 53 -26.659 -11.578 19.006 1.00 32.11 H new ATOM 711 N GLN A 54 -26.038 -3.668 22.075 1.00 50.14 N ATOM 712 CA GLN A 54 -26.440 -2.749 23.133 1.00 44.42 C ATOM 713 C GLN A 54 -27.957 -2.607 23.184 1.00 64.32 C ATOM 714 O GLN A 54 -28.525 -2.272 24.224 1.00 12.21 O ATOM 715 CB GLN A 54 -25.794 -1.379 22.920 1.00 42.03 C ATOM 716 CG GLN A 54 -25.733 -0.533 24.182 1.00 31.40 C ATOM 717 CD GLN A 54 -25.582 0.947 23.885 1.00 70.11 C ATOM 718 OE1 GLN A 54 -24.591 1.570 24.269 1.00 33.43 O ATOM 719 NE2 GLN A 54 -26.565 1.517 23.199 1.00 51.44 N ATOM 0 H GLN A 54 -25.382 -3.274 21.400 1.00 50.14 H new ATOM 0 HA GLN A 54 -26.100 -3.159 24.084 1.00 44.42 H new ATOM 0 HB2 GLN A 54 -24.783 -1.519 22.537 1.00 42.03 H new ATOM 0 HB3 GLN A 54 -26.352 -0.838 22.156 1.00 42.03 H new ATOM 0 HG2 GLN A 54 -26.640 -0.692 24.766 1.00 31.40 H new ATOM 0 HG3 GLN A 54 -24.896 -0.864 24.797 1.00 31.40 H new ATOM 0 HE21 GLN A 54 -27.367 0.962 22.901 1.00 51.44 H new ATOM 0 HE22 GLN A 54 -26.518 2.510 22.970 1.00 51.44 H new ATOM 726 N GLY A 55 -28.609 -2.863 22.055 1.00 72.10 N ATOM 727 CA GLY A 55 -30.055 -2.757 21.992 1.00 73.03 C ATOM 728 C GLY A 55 -30.746 -4.072 22.295 1.00 41.34 C ATOM 729 O GLY A 55 -31.664 -4.125 23.114 1.00 60.22 O ATOM 0 H GLY A 55 -28.162 -3.142 21.182 1.00 72.10 H new ATOM 0 HA2 GLY A 55 -30.392 -2.001 22.701 1.00 73.03 H new ATOM 0 HA3 GLY A 55 -30.348 -2.416 20.999 1.00 73.03 H new ATOM 732 N VAL A 56 -30.306 -5.137 21.633 1.00 35.13 N ATOM 733 CA VAL A 56 -30.889 -6.458 21.835 1.00 12.21 C ATOM 734 C VAL A 56 -30.673 -6.940 23.265 1.00 54.25 C ATOM 735 O VAL A 56 -31.531 -7.609 23.842 1.00 45.30 O ATOM 736 CB VAL A 56 -30.291 -7.490 20.861 1.00 71.25 C ATOM 737 CG1 VAL A 56 -30.591 -7.101 19.421 1.00 54.21 C ATOM 738 CG2 VAL A 56 -28.793 -7.628 21.084 1.00 32.05 C ATOM 0 H VAL A 56 -29.547 -5.111 20.952 1.00 35.13 H new ATOM 0 HA VAL A 56 -31.958 -6.366 21.643 1.00 12.21 H new ATOM 0 HB VAL A 56 -30.754 -8.458 21.055 1.00 71.25 H new ATOM 0 HG11 VAL A 56 -30.161 -7.842 18.747 1.00 54.21 H new ATOM 0 HG12 VAL A 56 -31.670 -7.059 19.273 1.00 54.21 H new ATOM 0 HG13 VAL A 56 -30.157 -6.123 19.210 1.00 54.21 H new ATOM 0 HG21 VAL A 56 -28.387 -8.361 20.387 1.00 32.05 H new ATOM 0 HG22 VAL A 56 -28.310 -6.665 20.919 1.00 32.05 H new ATOM 0 HG23 VAL A 56 -28.606 -7.957 22.106 1.00 32.05 H new ATOM 748 N HIS A 57 -29.520 -6.598 23.832 1.00 33.10 N ATOM 749 CA HIS A 57 -29.192 -6.995 25.196 1.00 1.34 C ATOM 750 C HIS A 57 -30.324 -6.640 26.154 1.00 24.33 C ATOM 751 O HIS A 57 -30.809 -7.490 26.901 1.00 74.51 O ATOM 752 CB HIS A 57 -27.895 -6.320 25.648 1.00 72.44 C ATOM 753 CG HIS A 57 -26.679 -7.172 25.456 1.00 45.41 C ATOM 754 ND1 HIS A 57 -26.662 -8.528 25.704 1.00 74.24 N ATOM 755 CD2 HIS A 57 -25.432 -6.853 25.037 1.00 64.30 C ATOM 756 CE1 HIS A 57 -25.458 -9.007 25.447 1.00 22.53 C ATOM 757 NE2 HIS A 57 -24.693 -8.010 25.040 1.00 42.31 N ATOM 0 H HIS A 57 -28.798 -6.047 23.368 1.00 33.10 H new ATOM 0 HA HIS A 57 -29.055 -8.076 25.210 1.00 1.34 H new ATOM 0 HB2 HIS A 57 -27.768 -5.389 25.095 1.00 72.44 H new ATOM 0 HB3 HIS A 57 -27.981 -6.056 26.702 1.00 72.44 H new ATOM 0 HD2 HIS A 57 -25.083 -5.871 24.753 1.00 64.30 H new ATOM 0 HE1 HIS A 57 -25.152 -10.037 25.552 1.00 22.53 H new ATOM 0 HE2 HIS A 57 -23.712 -8.087 24.771 1.00 42.31 H new ATOM 764 N ASP A 58 -30.741 -5.379 26.128 1.00 12.12 N ATOM 765 CA ASP A 58 -31.818 -4.911 26.993 1.00 12.53 C ATOM 766 C ASP A 58 -33.161 -5.476 26.543 1.00 24.22 C ATOM 767 O ASP A 58 -34.149 -5.414 27.276 1.00 3.20 O ATOM 768 CB ASP A 58 -31.868 -3.382 26.999 1.00 35.23 C ATOM 769 CG ASP A 58 -32.764 -2.836 28.094 1.00 54.35 C ATOM 770 OD1 ASP A 58 -33.984 -2.717 27.857 1.00 4.22 O ATOM 771 OD2 ASP A 58 -32.244 -2.528 29.187 1.00 34.30 O ATOM 0 H ASP A 58 -30.349 -4.662 25.517 1.00 12.12 H new ATOM 0 HA ASP A 58 -31.618 -5.264 28.005 1.00 12.53 H new ATOM 0 HB2 ASP A 58 -30.860 -2.989 27.129 1.00 35.23 H new ATOM 0 HB3 ASP A 58 -32.225 -3.029 26.032 1.00 35.23 H new ATOM 775 N SER A 59 -33.192 -6.023 25.332 1.00 13.02 N ATOM 776 CA SER A 59 -34.416 -6.594 24.782 1.00 14.43 C ATOM 777 C SER A 59 -34.562 -8.058 25.185 1.00 5.24 C ATOM 778 O SER A 59 -35.667 -8.596 25.220 1.00 63.44 O ATOM 779 CB SER A 59 -34.420 -6.471 23.257 1.00 21.14 C ATOM 780 OG SER A 59 -35.544 -7.126 22.696 1.00 11.00 O ATOM 0 H SER A 59 -32.384 -6.083 24.713 1.00 13.02 H new ATOM 0 HA SER A 59 -35.261 -6.038 25.187 1.00 14.43 H new ATOM 0 HB2 SER A 59 -34.430 -5.418 22.974 1.00 21.14 H new ATOM 0 HB3 SER A 59 -33.504 -6.902 22.852 1.00 21.14 H new ATOM 0 HG SER A 59 -35.524 -7.032 21.721 1.00 11.00 H new ATOM 785 N ALA A 60 -33.436 -8.696 25.491 1.00 13.43 N ATOM 786 CA ALA A 60 -33.437 -10.097 25.894 1.00 35.44 C ATOM 787 C ALA A 60 -33.591 -10.233 27.405 1.00 12.33 C ATOM 788 O ALA A 60 -33.433 -11.320 27.958 1.00 53.23 O ATOM 789 CB ALA A 60 -32.162 -10.782 25.427 1.00 4.20 C ATOM 0 H ALA A 60 -32.512 -8.265 25.467 1.00 13.43 H new ATOM 0 HA ALA A 60 -34.291 -10.584 25.423 1.00 35.44 H new ATOM 0 HB1 ALA A 60 -32.177 -11.827 25.735 1.00 4.20 H new ATOM 0 HB2 ALA A 60 -32.095 -10.725 24.341 1.00 4.20 H new ATOM 0 HB3 ALA A 60 -31.299 -10.285 25.870 1.00 4.20 H new ATOM 795 N GLU A 61 -33.898 -9.121 28.067 1.00 14.00 N ATOM 796 CA GLU A 61 -34.071 -9.118 29.514 1.00 3.20 C ATOM 797 C GLU A 61 -35.081 -10.177 29.944 1.00 52.15 C ATOM 798 O GLU A 61 -34.889 -10.865 30.947 1.00 22.04 O ATOM 799 CB GLU A 61 -34.527 -7.738 29.993 1.00 20.44 C ATOM 800 CG GLU A 61 -33.461 -6.664 29.860 1.00 21.44 C ATOM 801 CD GLU A 61 -33.998 -5.272 30.130 1.00 61.11 C ATOM 802 OE1 GLU A 61 -35.155 -4.999 29.746 1.00 24.21 O ATOM 803 OE2 GLU A 61 -33.263 -4.456 30.723 1.00 23.11 O ATOM 0 H GLU A 61 -34.032 -8.212 27.624 1.00 14.00 H new ATOM 0 HA GLU A 61 -33.109 -9.353 29.969 1.00 3.20 H new ATOM 0 HB2 GLU A 61 -35.406 -7.437 29.423 1.00 20.44 H new ATOM 0 HB3 GLU A 61 -34.832 -7.808 31.037 1.00 20.44 H new ATOM 0 HG2 GLU A 61 -32.648 -6.877 30.554 1.00 21.44 H new ATOM 0 HG3 GLU A 61 -33.040 -6.698 28.855 1.00 21.44 H new ATOM 808 N LYS A 62 -36.160 -10.303 29.179 1.00 55.31 N ATOM 809 CA LYS A 62 -37.201 -11.278 29.478 1.00 73.01 C ATOM 810 C LYS A 62 -36.675 -12.702 29.324 1.00 2.45 C ATOM 811 O LYS A 62 -36.900 -13.553 30.184 1.00 12.14 O ATOM 812 CB LYS A 62 -38.406 -11.067 28.557 1.00 42.33 C ATOM 813 CG LYS A 62 -39.119 -9.745 28.781 1.00 45.32 C ATOM 814 CD LYS A 62 -39.928 -9.334 27.563 1.00 42.21 C ATOM 815 CE LYS A 62 -41.136 -10.237 27.366 1.00 24.50 C ATOM 816 NZ LYS A 62 -41.398 -10.506 25.925 1.00 11.52 N ATOM 0 H LYS A 62 -36.336 -9.741 28.346 1.00 55.31 H new ATOM 0 HA LYS A 62 -37.511 -11.134 30.513 1.00 73.01 H new ATOM 0 HB2 LYS A 62 -38.074 -11.120 27.520 1.00 42.33 H new ATOM 0 HB3 LYS A 62 -39.114 -11.882 28.707 1.00 42.33 H new ATOM 0 HG2 LYS A 62 -39.778 -9.828 29.645 1.00 45.32 H new ATOM 0 HG3 LYS A 62 -38.387 -8.971 29.011 1.00 45.32 H new ATOM 0 HD2 LYS A 62 -40.259 -8.302 27.676 1.00 42.21 H new ATOM 0 HD3 LYS A 62 -39.296 -9.371 26.676 1.00 42.21 H new ATOM 0 HE2 LYS A 62 -40.973 -11.180 27.888 1.00 24.50 H new ATOM 0 HE3 LYS A 62 -42.014 -9.772 27.814 1.00 24.50 H new ATOM 0 HZ1 LYS A 62 -42.229 -11.125 25.833 1.00 11.52 H new ATOM 0 HZ2 LYS A 62 -41.578 -9.608 25.431 1.00 11.52 H new ATOM 0 HZ3 LYS A 62 -40.570 -10.973 25.503 1.00 11.52 H new ATOM 826 N GLY A 63 -35.971 -12.953 28.224 1.00 23.52 N ATOM 827 CA GLY A 63 -35.422 -14.273 27.980 1.00 40.41 C ATOM 828 C GLY A 63 -34.161 -14.535 28.780 1.00 4.11 C ATOM 829 O GLY A 63 -33.583 -15.618 28.705 1.00 0.54 O ATOM 0 H GLY A 63 -35.771 -12.265 27.498 1.00 23.52 H new ATOM 0 HA2 GLY A 63 -36.170 -15.026 28.230 1.00 40.41 H new ATOM 0 HA3 GLY A 63 -35.203 -14.381 26.918 1.00 40.41 H new ATOM 832 N LYS A 64 -33.732 -13.538 29.548 1.00 35.43 N ATOM 833 CA LYS A 64 -32.532 -13.664 30.365 1.00 61.31 C ATOM 834 C LYS A 64 -32.860 -13.490 31.844 1.00 61.34 C ATOM 835 O LYS A 64 -32.028 -13.028 32.625 1.00 12.15 O ATOM 836 CB LYS A 64 -31.489 -12.628 29.938 1.00 61.12 C ATOM 837 CG LYS A 64 -30.709 -13.027 28.697 1.00 23.43 C ATOM 838 CD LYS A 64 -29.876 -11.871 28.167 1.00 64.30 C ATOM 839 CE LYS A 64 -28.658 -11.615 29.042 1.00 31.12 C ATOM 840 NZ LYS A 64 -28.299 -10.171 29.084 1.00 32.04 N ATOM 0 H LYS A 64 -34.199 -12.634 29.621 1.00 35.43 H new ATOM 0 HA LYS A 64 -32.125 -14.664 30.216 1.00 61.31 H new ATOM 0 HB2 LYS A 64 -31.988 -11.677 29.753 1.00 61.12 H new ATOM 0 HB3 LYS A 64 -30.791 -12.467 30.760 1.00 61.12 H new ATOM 0 HG2 LYS A 64 -30.058 -13.869 28.931 1.00 23.43 H new ATOM 0 HG3 LYS A 64 -31.400 -13.363 27.924 1.00 23.43 H new ATOM 0 HD2 LYS A 64 -29.554 -12.090 27.149 1.00 64.30 H new ATOM 0 HD3 LYS A 64 -30.488 -10.971 28.121 1.00 64.30 H new ATOM 0 HE2 LYS A 64 -28.857 -11.969 30.053 1.00 31.12 H new ATOM 0 HE3 LYS A 64 -27.812 -12.189 28.664 1.00 31.12 H new ATOM 0 HZ1 LYS A 64 -27.464 -10.038 29.690 1.00 32.04 H new ATOM 0 HZ2 LYS A 64 -28.085 -9.838 28.122 1.00 32.04 H new ATOM 0 HZ3 LYS A 64 -29.097 -9.626 29.469 1.00 32.04 H new ATOM 850 N ASP A 65 -34.077 -13.865 32.224 1.00 52.21 N ATOM 851 CA ASP A 65 -34.515 -13.753 33.610 1.00 41.40 C ATOM 852 C ASP A 65 -34.412 -15.097 34.323 1.00 52.25 C ATOM 853 O ASP A 65 -34.961 -15.281 35.408 1.00 24.44 O ATOM 854 CB ASP A 65 -35.952 -13.236 33.674 1.00 34.03 C ATOM 855 CG ASP A 65 -36.247 -12.504 34.968 1.00 72.34 C ATOM 856 OD1 ASP A 65 -35.292 -12.006 35.600 1.00 71.41 O ATOM 857 OD2 ASP A 65 -37.435 -12.429 35.349 1.00 2.34 O ATOM 0 H ASP A 65 -34.778 -14.249 31.591 1.00 52.21 H new ATOM 0 HA ASP A 65 -33.860 -13.043 34.115 1.00 41.40 H new ATOM 0 HB2 ASP A 65 -36.132 -12.567 32.832 1.00 34.03 H new ATOM 0 HB3 ASP A 65 -36.641 -14.074 33.569 1.00 34.03 H new ATOM 861 N ASN A 66 -33.705 -16.038 33.704 1.00 33.23 N ATOM 862 CA ASN A 66 -33.532 -17.367 34.277 1.00 42.44 C ATOM 863 C ASN A 66 -33.033 -17.277 35.717 1.00 70.22 C ATOM 864 O ASN A 66 -33.188 -18.215 36.498 1.00 54.41 O ATOM 865 CB ASN A 66 -32.550 -18.185 33.436 1.00 5.33 C ATOM 866 CG ASN A 66 -31.550 -17.311 32.704 1.00 14.44 C ATOM 867 OD1 ASN A 66 -30.931 -16.386 33.427 1.00 43.42 O flip ATOM 868 ND2 ASN A 66 -31.336 -17.468 31.501 1.00 4.44 N flip ATOM 0 H ASN A 66 -33.243 -15.904 32.805 1.00 33.23 H new ATOM 0 HA ASN A 66 -34.502 -17.865 34.277 1.00 42.44 H new ATOM 0 HB2 ASN A 66 -32.016 -18.882 34.082 1.00 5.33 H new ATOM 0 HB3 ASN A 66 -33.105 -18.782 32.712 1.00 5.33 H new ATOM 0 HD21 ASN A 66 -31.835 -18.192 30.984 1.00 4.44 H new ATOM 0 HD22 ASN A 66 -30.660 -16.874 31.022 1.00 4.44 H new ATOM 874 N ALA A 67 -32.436 -16.141 36.060 1.00 41.25 N ATOM 875 CA ALA A 67 -31.918 -15.927 37.406 1.00 11.31 C ATOM 876 C ALA A 67 -33.031 -16.018 38.444 1.00 73.24 C ATOM 877 O ALA A 67 -32.770 -16.200 39.633 1.00 15.44 O ATOM 878 CB ALA A 67 -31.220 -14.578 37.494 1.00 52.44 C ATOM 0 H ALA A 67 -32.299 -15.355 35.425 1.00 41.25 H new ATOM 0 HA ALA A 67 -31.194 -16.713 37.619 1.00 11.31 H new ATOM 0 HB1 ALA A 67 -30.838 -14.431 38.504 1.00 52.44 H new ATOM 0 HB2 ALA A 67 -30.392 -14.550 36.785 1.00 52.44 H new ATOM 0 HB3 ALA A 67 -31.929 -13.785 37.255 1.00 52.44 H new ATOM 947 N LEU A 74 -40.062 -24.494 42.598 1.00 53.40 N ATOM 948 CA LEU A 74 -40.768 -23.379 43.220 1.00 10.31 C ATOM 949 C LEU A 74 -41.203 -23.733 44.638 1.00 3.13 C ATOM 950 O LEU A 74 -41.603 -22.862 45.411 1.00 33.12 O ATOM 951 CB LEU A 74 -41.986 -22.990 42.381 1.00 23.40 C ATOM 952 CG LEU A 74 -41.725 -22.725 40.898 1.00 43.52 C ATOM 953 CD1 LEU A 74 -43.034 -22.647 40.130 1.00 62.11 C ATOM 954 CD2 LEU A 74 -40.923 -21.444 40.719 1.00 1.54 C ATOM 0 HA LEU A 74 -40.085 -22.531 43.271 1.00 10.31 H new ATOM 0 HB2 LEU A 74 -42.727 -23.786 42.462 1.00 23.40 H new ATOM 0 HB3 LEU A 74 -42.431 -22.095 42.816 1.00 23.40 H new ATOM 0 HG LEU A 74 -41.143 -23.555 40.498 1.00 43.52 H new ATOM 0 HD11 LEU A 74 -42.827 -22.458 39.077 1.00 62.11 H new ATOM 0 HD12 LEU A 74 -43.572 -23.590 40.231 1.00 62.11 H new ATOM 0 HD13 LEU A 74 -43.643 -21.837 40.531 1.00 62.11 H new ATOM 0 HD21 LEU A 74 -40.746 -21.271 39.657 1.00 1.54 H new ATOM 0 HD22 LEU A 74 -41.480 -20.605 41.136 1.00 1.54 H new ATOM 0 HD23 LEU A 74 -39.968 -21.538 41.235 1.00 1.54 H new ATOM 965 N ALA A 75 -41.122 -25.016 44.974 1.00 11.01 N ATOM 966 CA ALA A 75 -41.503 -25.485 46.300 1.00 22.41 C ATOM 967 C ALA A 75 -40.371 -25.281 47.301 1.00 30.24 C ATOM 968 O ALA A 75 -40.612 -25.024 48.481 1.00 25.33 O ATOM 969 CB ALA A 75 -41.905 -26.951 46.246 1.00 61.22 C ATOM 0 H ALA A 75 -40.796 -25.750 44.345 1.00 11.01 H new ATOM 0 HA ALA A 75 -42.358 -24.897 46.634 1.00 22.41 H new ATOM 0 HB1 ALA A 75 -42.187 -27.288 47.244 1.00 61.22 H new ATOM 0 HB2 ALA A 75 -42.751 -27.072 45.569 1.00 61.22 H new ATOM 0 HB3 ALA A 75 -41.065 -27.546 45.886 1.00 61.22 H new ATOM 975 N ASP A 76 -39.137 -25.398 46.823 1.00 24.30 N ATOM 976 CA ASP A 76 -37.967 -25.226 47.677 1.00 65.15 C ATOM 977 C ASP A 76 -37.968 -23.846 48.329 1.00 33.23 C ATOM 978 O ASP A 76 -37.630 -23.704 49.503 1.00 72.45 O ATOM 979 CB ASP A 76 -36.685 -25.420 46.866 1.00 2.00 C ATOM 980 CG ASP A 76 -35.503 -25.801 47.736 1.00 3.34 C ATOM 981 OD1 ASP A 76 -35.554 -25.538 48.956 1.00 24.25 O ATOM 982 OD2 ASP A 76 -34.528 -26.363 47.197 1.00 14.43 O ATOM 0 H ASP A 76 -38.921 -25.611 45.849 1.00 24.30 H new ATOM 0 HA ASP A 76 -38.008 -25.979 48.464 1.00 65.15 H new ATOM 0 HB2 ASP A 76 -36.846 -26.195 46.117 1.00 2.00 H new ATOM 0 HB3 ASP A 76 -36.456 -24.500 46.329 1.00 2.00 H new ATOM 986 N GLN A 77 -38.348 -22.833 47.557 1.00 15.31 N ATOM 987 CA GLN A 77 -38.390 -21.465 48.058 1.00 52.23 C ATOM 988 C GLN A 77 -39.689 -21.202 48.814 1.00 52.22 C ATOM 989 O GLN A 77 -39.690 -20.556 49.860 1.00 44.11 O ATOM 990 CB GLN A 77 -38.248 -20.471 46.904 1.00 4.32 C ATOM 991 CG GLN A 77 -37.365 -20.975 45.774 1.00 21.11 C ATOM 992 CD GLN A 77 -36.550 -19.868 45.132 1.00 64.42 C ATOM 993 OE1 GLN A 77 -37.023 -18.740 44.985 1.00 15.15 O ATOM 994 NE2 GLN A 77 -35.320 -20.186 44.747 1.00 21.42 N ATOM 0 H GLN A 77 -38.631 -22.934 46.582 1.00 15.31 H new ATOM 0 HA GLN A 77 -37.556 -21.332 48.747 1.00 52.23 H new ATOM 0 HB2 GLN A 77 -39.237 -20.243 46.507 1.00 4.32 H new ATOM 0 HB3 GLN A 77 -37.836 -19.538 47.288 1.00 4.32 H new ATOM 0 HG2 GLN A 77 -36.691 -21.741 46.158 1.00 21.11 H new ATOM 0 HG3 GLN A 77 -37.988 -21.449 45.015 1.00 21.11 H new ATOM 0 HE21 GLN A 77 -34.970 -21.134 44.889 1.00 21.42 H new ATOM 0 HE22 GLN A 77 -34.725 -19.483 44.309 1.00 21.42 H new ATOM 1001 N ALA A 78 -40.794 -21.707 48.274 1.00 2.32 N ATOM 1002 CA ALA A 78 -42.099 -21.529 48.899 1.00 12.14 C ATOM 1003 C ALA A 78 -42.015 -21.711 50.410 1.00 11.13 C ATOM 1004 O ALA A 78 -42.749 -21.071 51.164 1.00 11.34 O ATOM 1005 CB ALA A 78 -43.107 -22.501 48.303 1.00 41.40 C ATOM 0 H ALA A 78 -40.811 -22.242 47.406 1.00 2.32 H new ATOM 0 HA ALA A 78 -42.432 -20.510 48.701 1.00 12.14 H new ATOM 0 HB1 ALA A 78 -44.077 -22.357 48.779 1.00 41.40 H new ATOM 0 HB2 ALA A 78 -43.198 -22.320 47.232 1.00 41.40 H new ATOM 0 HB3 ALA A 78 -42.769 -23.524 48.470 1.00 41.40 H new ATOM 1011 N ARG A 79 -41.116 -22.587 50.847 1.00 14.53 N ATOM 1012 CA ARG A 79 -40.937 -22.854 52.268 1.00 61.52 C ATOM 1013 C ARG A 79 -40.148 -21.732 52.938 1.00 11.30 C ATOM 1014 O ARG A 79 -40.654 -21.051 53.829 1.00 24.01 O ATOM 1015 CB ARG A 79 -40.219 -24.190 52.472 1.00 21.24 C ATOM 1016 CG ARG A 79 -40.927 -25.368 51.824 1.00 60.22 C ATOM 1017 CD ARG A 79 -40.170 -26.667 52.051 1.00 42.11 C ATOM 1018 NE ARG A 79 -40.644 -27.377 53.236 1.00 11.41 N ATOM 1019 CZ ARG A 79 -40.192 -28.569 53.607 1.00 60.31 C ATOM 1020 NH1 ARG A 79 -39.261 -29.182 52.890 1.00 10.23 N ATOM 1021 NH2 ARG A 79 -40.673 -29.152 54.699 1.00 23.03 N ATOM 0 H ARG A 79 -40.500 -23.124 50.236 1.00 14.53 H new ATOM 0 HA ARG A 79 -41.923 -22.906 52.729 1.00 61.52 H new ATOM 0 HB2 ARG A 79 -39.210 -24.116 52.067 1.00 21.24 H new ATOM 0 HB3 ARG A 79 -40.120 -24.380 53.541 1.00 21.24 H new ATOM 0 HG2 ARG A 79 -41.934 -25.457 52.231 1.00 60.22 H new ATOM 0 HG3 ARG A 79 -41.030 -25.188 50.754 1.00 60.22 H new ATOM 0 HD2 ARG A 79 -40.280 -27.308 51.176 1.00 42.11 H new ATOM 0 HD3 ARG A 79 -39.107 -26.453 52.158 1.00 42.11 H new ATOM 0 HE ARG A 79 -41.361 -26.933 53.810 1.00 11.41 H new ATOM 0 HH11 ARG A 79 -38.889 -28.738 52.050 1.00 10.23 H new ATOM 0 HH12 ARG A 79 -38.916 -30.098 53.178 1.00 10.23 H new ATOM 0 HH21 ARG A 79 -41.390 -28.684 55.253 1.00 23.03 H new ATOM 0 HH22 ARG A 79 -40.325 -30.068 54.983 1.00 23.03 H new ATOM 1032 N ASP A 80 -38.907 -21.548 52.503 1.00 13.24 N ATOM 1033 CA ASP A 80 -38.047 -20.509 53.058 1.00 71.05 C ATOM 1034 C ASP A 80 -38.476 -19.130 52.567 1.00 12.23 C ATOM 1035 O ASP A 80 -38.678 -18.212 53.362 1.00 32.34 O ATOM 1036 CB ASP A 80 -36.588 -20.769 52.681 1.00 71.21 C ATOM 1037 CG ASP A 80 -35.620 -20.259 53.730 1.00 43.15 C ATOM 1038 OD1 ASP A 80 -35.305 -21.022 54.668 1.00 30.51 O ATOM 1039 OD2 ASP A 80 -35.178 -19.097 53.615 1.00 2.40 O ATOM 0 H ASP A 80 -38.473 -22.105 51.767 1.00 13.24 H new ATOM 0 HA ASP A 80 -38.142 -20.534 54.144 1.00 71.05 H new ATOM 0 HB2 ASP A 80 -36.437 -21.839 52.541 1.00 71.21 H new ATOM 0 HB3 ASP A 80 -36.371 -20.289 51.727 1.00 71.21 H new ATOM 1043 N TYR A 81 -38.609 -18.991 51.253 1.00 72.31 N ATOM 1044 CA TYR A 81 -39.009 -17.723 50.655 1.00 21.14 C ATOM 1045 C TYR A 81 -40.154 -17.088 51.438 1.00 31.12 C ATOM 1046 O TYR A 81 -40.024 -15.982 51.962 1.00 31.31 O ATOM 1047 CB TYR A 81 -39.426 -17.930 49.198 1.00 54.14 C ATOM 1048 CG TYR A 81 -39.283 -16.692 48.344 1.00 2.21 C ATOM 1049 CD1 TYR A 81 -38.128 -15.919 48.394 1.00 51.03 C ATOM 1050 CD2 TYR A 81 -40.301 -16.291 47.487 1.00 74.03 C ATOM 1051 CE1 TYR A 81 -37.993 -14.786 47.617 1.00 52.42 C ATOM 1052 CE2 TYR A 81 -40.173 -15.161 46.704 1.00 63.33 C ATOM 1053 CZ TYR A 81 -39.017 -14.411 46.773 1.00 2.14 C ATOM 1054 OH TYR A 81 -38.886 -13.283 45.996 1.00 63.33 O ATOM 0 H TYR A 81 -38.446 -19.741 50.581 1.00 72.31 H new ATOM 0 HA TYR A 81 -38.153 -17.050 50.688 1.00 21.14 H new ATOM 0 HB2 TYR A 81 -38.824 -18.730 48.767 1.00 54.14 H new ATOM 0 HB3 TYR A 81 -40.464 -18.262 49.170 1.00 54.14 H new ATOM 0 HD1 TYR A 81 -37.323 -16.210 49.052 1.00 51.03 H new ATOM 0 HD2 TYR A 81 -41.209 -16.874 47.433 1.00 74.03 H new ATOM 0 HE1 TYR A 81 -37.090 -14.196 47.670 1.00 52.42 H new ATOM 0 HE2 TYR A 81 -40.973 -14.866 46.041 1.00 63.33 H new ATOM 0 HH TYR A 81 -39.696 -13.161 45.458 1.00 63.33 H new ATOM 1063 N MET A 82 -41.275 -17.798 51.514 1.00 42.11 N ATOM 1064 CA MET A 82 -42.443 -17.306 52.235 1.00 42.42 C ATOM 1065 C MET A 82 -42.068 -16.880 53.651 1.00 65.31 C ATOM 1066 O MET A 82 -42.639 -15.937 54.197 1.00 3.34 O ATOM 1067 CB MET A 82 -43.529 -18.382 52.285 1.00 52.22 C ATOM 1068 CG MET A 82 -43.331 -19.394 53.402 1.00 42.52 C ATOM 1069 SD MET A 82 -44.187 -18.932 54.919 1.00 25.33 S ATOM 1070 CE MET A 82 -45.080 -20.442 55.279 1.00 33.11 C ATOM 0 H MET A 82 -41.399 -18.715 51.085 1.00 42.11 H new ATOM 0 HA MET A 82 -42.828 -16.436 51.702 1.00 42.42 H new ATOM 0 HB2 MET A 82 -44.500 -17.902 52.409 1.00 52.22 H new ATOM 0 HB3 MET A 82 -43.553 -18.907 51.330 1.00 52.22 H new ATOM 0 HG2 MET A 82 -43.688 -20.369 53.071 1.00 42.52 H new ATOM 0 HG3 MET A 82 -42.266 -19.498 53.608 1.00 42.52 H new ATOM 0 HE1 MET A 82 -45.659 -20.313 56.193 1.00 33.11 H new ATOM 0 HE2 MET A 82 -45.752 -20.673 54.453 1.00 33.11 H new ATOM 0 HE3 MET A 82 -44.372 -21.261 55.411 1.00 33.11 H new ATOM 1078 N GLY A 83 -41.105 -17.582 54.241 1.00 23.03 N ATOM 1079 CA GLY A 83 -40.672 -17.261 55.588 1.00 4.13 C ATOM 1080 C GLY A 83 -39.949 -15.930 55.663 1.00 71.00 C ATOM 1081 O GLY A 83 -39.882 -15.310 56.724 1.00 72.55 O ATOM 0 H GLY A 83 -40.617 -18.367 53.810 1.00 23.03 H new ATOM 0 HA2 GLY A 83 -41.538 -17.238 56.249 1.00 4.13 H new ATOM 0 HA3 GLY A 83 -40.014 -18.050 55.952 1.00 4.13 H new ATOM 1084 N ALA A 84 -39.405 -15.489 54.534 1.00 15.11 N ATOM 1085 CA ALA A 84 -38.683 -14.224 54.476 1.00 72.40 C ATOM 1086 C ALA A 84 -39.591 -13.098 53.993 1.00 21.51 C ATOM 1087 O ALA A 84 -39.495 -11.964 54.466 1.00 54.21 O ATOM 1088 CB ALA A 84 -37.468 -14.350 53.570 1.00 14.13 C ATOM 0 H ALA A 84 -39.451 -15.989 53.646 1.00 15.11 H new ATOM 0 HA ALA A 84 -38.346 -13.979 55.483 1.00 72.40 H new ATOM 0 HB1 ALA A 84 -36.939 -13.398 53.536 1.00 14.13 H new ATOM 0 HB2 ALA A 84 -36.803 -15.121 53.958 1.00 14.13 H new ATOM 0 HB3 ALA A 84 -37.790 -14.622 52.565 1.00 14.13 H new ATOM 1094 N ALA A 85 -40.470 -13.415 53.049 1.00 73.22 N ATOM 1095 CA ALA A 85 -41.396 -12.430 52.503 1.00 65.32 C ATOM 1096 C ALA A 85 -42.736 -12.474 53.230 1.00 74.12 C ATOM 1097 O ALA A 85 -43.022 -11.630 54.079 1.00 40.04 O ATOM 1098 CB ALA A 85 -41.593 -12.659 51.013 1.00 74.55 C ATOM 0 H ALA A 85 -40.561 -14.347 52.646 1.00 73.22 H new ATOM 0 HA ALA A 85 -40.964 -11.440 52.652 1.00 65.32 H new ATOM 0 HB1 ALA A 85 -42.287 -11.916 50.619 1.00 74.55 H new ATOM 0 HB2 ALA A 85 -40.635 -12.568 50.501 1.00 74.55 H new ATOM 0 HB3 ALA A 85 -41.999 -13.657 50.849 1.00 74.55 H new ATOM 1104 N LYS A 86 -43.555 -13.463 52.889 1.00 44.12 N ATOM 1105 CA LYS A 86 -44.866 -13.619 53.509 1.00 30.33 C ATOM 1106 C LYS A 86 -44.780 -13.427 55.020 1.00 41.20 C ATOM 1107 O LYS A 86 -45.719 -12.938 55.647 1.00 62.15 O ATOM 1108 CB LYS A 86 -45.442 -15.001 53.192 1.00 1.21 C ATOM 1109 CG LYS A 86 -46.888 -15.172 53.625 1.00 32.51 C ATOM 1110 CD LYS A 86 -46.996 -16.000 54.893 1.00 22.13 C ATOM 1111 CE LYS A 86 -48.383 -16.605 55.047 1.00 64.41 C ATOM 1112 NZ LYS A 86 -48.378 -17.776 55.968 1.00 24.40 N ATOM 0 H LYS A 86 -43.334 -14.169 52.187 1.00 44.12 H new ATOM 0 HA LYS A 86 -45.526 -12.854 53.100 1.00 30.33 H new ATOM 0 HB2 LYS A 86 -45.370 -15.178 52.119 1.00 1.21 H new ATOM 0 HB3 LYS A 86 -44.833 -15.760 53.682 1.00 1.21 H new ATOM 0 HG2 LYS A 86 -47.338 -14.193 53.789 1.00 32.51 H new ATOM 0 HG3 LYS A 86 -47.453 -15.652 52.826 1.00 32.51 H new ATOM 0 HD2 LYS A 86 -46.251 -16.795 54.874 1.00 22.13 H new ATOM 0 HD3 LYS A 86 -46.773 -15.375 55.757 1.00 22.13 H new ATOM 0 HE2 LYS A 86 -49.070 -15.848 55.426 1.00 64.41 H new ATOM 0 HE3 LYS A 86 -48.756 -16.913 54.070 1.00 64.41 H new ATOM 0 HZ1 LYS A 86 -49.341 -18.160 56.047 1.00 24.40 H new ATOM 0 HZ2 LYS A 86 -47.742 -18.509 55.594 1.00 24.40 H new ATOM 0 HZ3 LYS A 86 -48.047 -17.477 56.908 1.00 24.40 H new ATOM 1122 N SER A 87 -43.648 -13.815 55.598 1.00 71.11 N ATOM 1123 CA SER A 87 -43.440 -13.688 57.035 1.00 23.10 C ATOM 1124 C SER A 87 -43.037 -12.263 57.403 1.00 12.25 C ATOM 1125 O SER A 87 -43.817 -11.517 57.995 1.00 4.52 O ATOM 1126 CB SER A 87 -42.367 -14.671 57.506 1.00 64.45 C ATOM 1127 OG SER A 87 -42.768 -15.333 58.693 1.00 42.10 O ATOM 0 H SER A 87 -42.860 -14.220 55.092 1.00 71.11 H new ATOM 0 HA SER A 87 -44.380 -13.921 57.534 1.00 23.10 H new ATOM 0 HB2 SER A 87 -42.173 -15.405 56.724 1.00 64.45 H new ATOM 0 HB3 SER A 87 -41.433 -14.138 57.681 1.00 64.45 H new ATOM 0 HG SER A 87 -42.066 -15.957 58.973 1.00 42.10 H new ATOM 1132 N LYS A 88 -41.812 -11.891 57.045 1.00 3.41 N ATOM 1133 CA LYS A 88 -41.302 -10.556 57.334 1.00 70.42 C ATOM 1134 C LYS A 88 -42.152 -9.490 56.650 1.00 0.15 C ATOM 1135 O LYS A 88 -42.753 -8.642 57.311 1.00 52.12 O ATOM 1136 CB LYS A 88 -39.846 -10.434 56.878 1.00 74.41 C ATOM 1137 CG LYS A 88 -38.922 -9.866 57.941 1.00 13.11 C ATOM 1138 CD LYS A 88 -38.773 -10.816 59.116 1.00 51.35 C ATOM 1139 CE LYS A 88 -38.540 -10.063 60.417 1.00 14.41 C ATOM 1140 NZ LYS A 88 -37.826 -10.899 61.422 1.00 34.42 N ATOM 0 H LYS A 88 -41.154 -12.496 56.554 1.00 3.41 H new ATOM 0 HA LYS A 88 -41.352 -10.400 58.412 1.00 70.42 H new ATOM 0 HB2 LYS A 88 -39.483 -11.418 56.581 1.00 74.41 H new ATOM 0 HB3 LYS A 88 -39.803 -9.798 55.994 1.00 74.41 H new ATOM 0 HG2 LYS A 88 -37.943 -9.669 57.505 1.00 13.11 H new ATOM 0 HG3 LYS A 88 -39.313 -8.911 58.292 1.00 13.11 H new ATOM 0 HD2 LYS A 88 -39.670 -11.429 59.205 1.00 51.35 H new ATOM 0 HD3 LYS A 88 -37.940 -11.494 58.933 1.00 51.35 H new ATOM 0 HE2 LYS A 88 -37.960 -9.162 60.216 1.00 14.41 H new ATOM 0 HE3 LYS A 88 -39.497 -9.741 60.827 1.00 14.41 H new ATOM 0 HZ1 LYS A 88 -37.686 -10.350 62.294 1.00 34.42 H new ATOM 0 HZ2 LYS A 88 -38.391 -11.746 61.633 1.00 34.42 H new ATOM 0 HZ3 LYS A 88 -36.901 -11.185 61.042 1.00 34.42 H new ATOM 1150 N LEU A 89 -42.197 -9.538 55.323 1.00 31.42 N ATOM 1151 CA LEU A 89 -42.975 -8.577 54.549 1.00 22.40 C ATOM 1152 C LEU A 89 -44.338 -8.337 55.190 1.00 62.34 C ATOM 1153 O LEU A 89 -44.722 -7.197 55.447 1.00 64.42 O ATOM 1154 CB LEU A 89 -43.154 -9.074 53.114 1.00 21.43 C ATOM 1155 CG LEU A 89 -43.699 -8.053 52.113 1.00 2.10 C ATOM 1156 CD1 LEU A 89 -43.113 -8.296 50.731 1.00 32.15 C ATOM 1157 CD2 LEU A 89 -45.219 -8.109 52.068 1.00 23.24 C ATOM 0 H LEU A 89 -41.704 -10.232 54.761 1.00 31.42 H new ATOM 0 HA LEU A 89 -42.430 -7.633 54.535 1.00 22.40 H new ATOM 0 HB2 LEU A 89 -42.190 -9.430 52.751 1.00 21.43 H new ATOM 0 HB3 LEU A 89 -43.826 -9.932 53.129 1.00 21.43 H new ATOM 0 HG LEU A 89 -43.402 -7.057 52.441 1.00 2.10 H new ATOM 0 HD11 LEU A 89 -43.512 -7.561 50.032 1.00 32.15 H new ATOM 0 HD12 LEU A 89 -42.028 -8.204 50.775 1.00 32.15 H new ATOM 0 HD13 LEU A 89 -43.379 -9.298 50.394 1.00 32.15 H new ATOM 0 HD21 LEU A 89 -45.589 -7.376 51.351 1.00 23.24 H new ATOM 0 HD22 LEU A 89 -45.538 -9.106 51.765 1.00 23.24 H new ATOM 0 HD23 LEU A 89 -45.621 -7.885 53.056 1.00 23.24 H new ATOM 1168 N ASN A 90 -45.064 -9.420 55.448 1.00 14.13 N ATOM 1169 CA ASN A 90 -46.384 -9.327 56.060 1.00 41.04 C ATOM 1170 C ASN A 90 -46.277 -8.906 57.523 1.00 31.44 C ATOM 1171 O ASN A 90 -46.752 -7.837 57.908 1.00 1.43 O ATOM 1172 CB ASN A 90 -47.112 -10.669 55.957 1.00 65.13 C ATOM 1173 CG ASN A 90 -48.619 -10.506 55.882 1.00 1.34 C ATOM 1174 OD1 ASN A 90 -49.152 -10.025 54.882 1.00 71.11 O ATOM 1175 ND2 ASN A 90 -49.311 -10.905 56.942 1.00 53.11 N ATOM 0 H ASN A 90 -44.760 -10.372 55.243 1.00 14.13 H new ATOM 0 HA ASN A 90 -46.954 -8.569 55.522 1.00 41.04 H new ATOM 0 HB2 ASN A 90 -46.763 -11.202 55.073 1.00 65.13 H new ATOM 0 HB3 ASN A 90 -46.858 -11.284 56.821 1.00 65.13 H new ATOM 0 HD21 ASN A 90 -50.327 -10.819 56.950 1.00 53.11 H new ATOM 0 HD22 ASN A 90 -48.826 -11.298 57.749 1.00 53.11 H new ATOM 1181 N ASP A 91 -45.648 -9.751 58.333 1.00 75.44 N ATOM 1182 CA ASP A 91 -45.477 -9.466 59.752 1.00 53.20 C ATOM 1183 C ASP A 91 -44.823 -8.102 59.957 1.00 40.54 C ATOM 1184 O ASP A 91 -44.884 -7.532 61.045 1.00 5.31 O ATOM 1185 CB ASP A 91 -44.632 -10.556 60.414 1.00 24.21 C ATOM 1186 CG ASP A 91 -45.259 -11.930 60.288 1.00 51.13 C ATOM 1187 OD1 ASP A 91 -46.473 -12.005 60.009 1.00 31.12 O ATOM 1188 OD2 ASP A 91 -44.534 -12.931 60.470 1.00 62.15 O ATOM 0 H ASP A 91 -45.248 -10.639 58.030 1.00 75.44 H new ATOM 0 HA ASP A 91 -46.463 -9.449 60.216 1.00 53.20 H new ATOM 0 HB2 ASP A 91 -43.641 -10.569 59.961 1.00 24.21 H new ATOM 0 HB3 ASP A 91 -44.497 -10.317 61.469 1.00 24.21 H new ATOM 1192 N ALA A 92 -44.197 -7.588 58.904 1.00 64.21 N ATOM 1193 CA ALA A 92 -43.533 -6.292 58.968 1.00 43.34 C ATOM 1194 C ALA A 92 -44.414 -5.194 58.383 1.00 2.10 C ATOM 1195 O ALA A 92 -44.373 -4.048 58.830 1.00 24.21 O ATOM 1196 CB ALA A 92 -42.199 -6.347 58.238 1.00 20.43 C ATOM 0 H ALA A 92 -44.136 -8.049 57.996 1.00 64.21 H new ATOM 0 HA ALA A 92 -43.352 -6.055 60.016 1.00 43.34 H new ATOM 0 HB1 ALA A 92 -41.713 -5.373 58.293 1.00 20.43 H new ATOM 0 HB2 ALA A 92 -41.560 -7.098 58.703 1.00 20.43 H new ATOM 0 HB3 ALA A 92 -42.366 -6.610 57.194 1.00 20.43 H new ATOM 1202 N VAL A 93 -45.210 -5.552 57.381 1.00 34.53 N ATOM 1203 CA VAL A 93 -46.102 -4.596 56.734 1.00 23.03 C ATOM 1204 C VAL A 93 -47.550 -4.829 57.148 1.00 45.04 C ATOM 1205 O VAL A 93 -48.267 -3.889 57.489 1.00 53.32 O ATOM 1206 CB VAL A 93 -45.999 -4.681 55.200 1.00 4.34 C ATOM 1207 CG1 VAL A 93 -47.011 -5.674 54.650 1.00 31.42 C ATOM 1208 CG2 VAL A 93 -46.193 -3.307 54.577 1.00 33.51 C ATOM 0 H VAL A 93 -45.256 -6.497 56.999 1.00 34.53 H new ATOM 0 HA VAL A 93 -45.789 -3.603 57.057 1.00 23.03 H new ATOM 0 HB VAL A 93 -45.002 -5.035 54.939 1.00 4.34 H new ATOM 0 HG11 VAL A 93 -46.923 -5.720 53.565 1.00 31.42 H new ATOM 0 HG12 VAL A 93 -46.819 -6.661 55.072 1.00 31.42 H new ATOM 0 HG13 VAL A 93 -48.018 -5.354 54.919 1.00 31.42 H new ATOM 0 HG21 VAL A 93 -46.117 -3.385 53.492 1.00 33.51 H new ATOM 0 HG22 VAL A 93 -47.177 -2.922 54.845 1.00 33.51 H new ATOM 0 HG23 VAL A 93 -45.424 -2.628 54.946 1.00 33.51 H new ATOM 1218 N GLU A 94 -47.974 -6.089 57.118 1.00 15.23 N ATOM 1219 CA GLU A 94 -49.337 -6.445 57.490 1.00 32.21 C ATOM 1220 C GLU A 94 -49.551 -6.285 58.992 1.00 65.32 C ATOM 1221 O GLU A 94 -50.608 -5.837 59.436 1.00 24.44 O ATOM 1222 CB GLU A 94 -49.644 -7.885 57.071 1.00 21.50 C ATOM 1223 CG GLU A 94 -51.089 -8.101 56.652 1.00 42.30 C ATOM 1224 CD GLU A 94 -51.249 -8.215 55.149 1.00 33.11 C ATOM 1225 OE1 GLU A 94 -50.698 -7.358 54.427 1.00 3.15 O ATOM 1226 OE2 GLU A 94 -51.927 -9.160 54.693 1.00 44.32 O ATOM 0 H GLU A 94 -47.393 -6.880 56.840 1.00 15.23 H new ATOM 0 HA GLU A 94 -50.016 -5.770 56.970 1.00 32.21 H new ATOM 0 HB2 GLU A 94 -48.989 -8.162 56.244 1.00 21.50 H new ATOM 0 HB3 GLU A 94 -49.411 -8.553 57.900 1.00 21.50 H new ATOM 0 HG2 GLU A 94 -51.469 -9.007 57.124 1.00 42.30 H new ATOM 0 HG3 GLU A 94 -51.697 -7.273 57.017 1.00 42.30 H new ATOM 1231 N TYR A 95 -48.540 -6.655 59.770 1.00 51.31 N ATOM 1232 CA TYR A 95 -48.617 -6.556 61.224 1.00 14.34 C ATOM 1233 C TYR A 95 -48.304 -5.137 61.689 1.00 42.12 C ATOM 1234 O TYR A 95 -48.990 -4.589 62.552 1.00 42.35 O ATOM 1235 CB TYR A 95 -47.648 -7.543 61.875 1.00 52.55 C ATOM 1236 CG TYR A 95 -47.323 -7.212 63.314 1.00 43.32 C ATOM 1237 CD1 TYR A 95 -48.188 -7.569 64.341 1.00 24.14 C ATOM 1238 CD2 TYR A 95 -46.151 -6.543 63.646 1.00 55.41 C ATOM 1239 CE1 TYR A 95 -47.895 -7.267 65.658 1.00 23.40 C ATOM 1240 CE2 TYR A 95 -45.850 -6.240 64.960 1.00 32.23 C ATOM 1241 CZ TYR A 95 -46.725 -6.604 65.962 1.00 22.11 C ATOM 1242 OH TYR A 95 -46.429 -6.301 67.272 1.00 74.32 O ATOM 0 H TYR A 95 -47.657 -7.026 59.419 1.00 51.31 H new ATOM 0 HA TYR A 95 -49.634 -6.803 61.527 1.00 14.34 H new ATOM 0 HB2 TYR A 95 -48.077 -8.544 61.829 1.00 52.55 H new ATOM 0 HB3 TYR A 95 -46.723 -7.565 61.298 1.00 52.55 H new ATOM 0 HD1 TYR A 95 -49.104 -8.091 64.107 1.00 24.14 H new ATOM 0 HD2 TYR A 95 -45.464 -6.255 62.864 1.00 55.41 H new ATOM 0 HE1 TYR A 95 -48.579 -7.549 66.445 1.00 23.40 H new ATOM 0 HE2 TYR A 95 -44.934 -5.721 65.201 1.00 32.23 H new ATOM 0 HH TYR A 95 -45.568 -5.834 67.313 1.00 74.32 H new ATOM 1251 N VAL A 96 -47.264 -4.547 61.110 1.00 11.13 N ATOM 1252 CA VAL A 96 -46.860 -3.191 61.464 1.00 31.34 C ATOM 1253 C VAL A 96 -47.666 -2.156 60.686 1.00 53.44 C ATOM 1254 O VAL A 96 -48.453 -1.406 61.262 1.00 4.52 O ATOM 1255 CB VAL A 96 -45.360 -2.964 61.195 1.00 65.22 C ATOM 1256 CG1 VAL A 96 -44.878 -1.701 61.893 1.00 72.02 C ATOM 1257 CG2 VAL A 96 -44.550 -4.172 61.642 1.00 70.04 C ATOM 0 H VAL A 96 -46.686 -4.986 60.394 1.00 11.13 H new ATOM 0 HA VAL A 96 -47.053 -3.072 62.530 1.00 31.34 H new ATOM 0 HB VAL A 96 -45.216 -2.835 60.122 1.00 65.22 H new ATOM 0 HG11 VAL A 96 -43.816 -1.557 61.692 1.00 72.02 H new ATOM 0 HG12 VAL A 96 -45.438 -0.843 61.520 1.00 72.02 H new ATOM 0 HG13 VAL A 96 -45.034 -1.797 62.968 1.00 72.02 H new ATOM 0 HG21 VAL A 96 -43.493 -3.994 61.445 1.00 70.04 H new ATOM 0 HG22 VAL A 96 -44.698 -4.334 62.710 1.00 70.04 H new ATOM 0 HG23 VAL A 96 -44.879 -5.054 61.092 1.00 70.04 H new ATOM 1267 N SER A 97 -47.466 -2.124 59.373 1.00 14.33 N ATOM 1268 CA SER A 97 -48.172 -1.180 58.514 1.00 0.30 C ATOM 1269 C SER A 97 -49.681 -1.365 58.630 1.00 75.23 C ATOM 1270 O SER A 97 -50.456 -0.479 58.274 1.00 63.30 O ATOM 1271 CB SER A 97 -47.734 -1.355 57.059 1.00 70.54 C ATOM 1272 OG SER A 97 -47.470 -0.103 56.451 1.00 2.11 O ATOM 0 H SER A 97 -46.821 -2.741 58.880 1.00 14.33 H new ATOM 0 HA SER A 97 -47.921 -0.171 58.841 1.00 0.30 H new ATOM 0 HB2 SER A 97 -46.841 -1.978 57.017 1.00 70.54 H new ATOM 0 HB3 SER A 97 -48.513 -1.876 56.502 1.00 70.54 H new ATOM 0 HG SER A 97 -47.190 -0.243 55.522 1.00 2.11 H new ATOM 1277 N GLY A 98 -50.092 -2.528 59.128 1.00 64.35 N ATOM 1278 CA GLY A 98 -51.508 -2.810 59.282 1.00 14.43 C ATOM 1279 C GLY A 98 -52.048 -2.356 60.624 1.00 15.02 C ATOM 1280 O GLY A 98 -53.235 -2.059 60.754 1.00 24.42 O ATOM 0 H GLY A 98 -49.470 -3.279 59.427 1.00 64.35 H new ATOM 0 HA2 GLY A 98 -52.062 -2.315 58.485 1.00 14.43 H new ATOM 0 HA3 GLY A 98 -51.676 -3.881 59.170 1.00 14.43 H new ATOM 1283 N ARG A 99 -51.175 -2.303 61.624 1.00 42.13 N ATOM 1284 CA ARG A 99 -51.571 -1.885 62.964 1.00 32.23 C ATOM 1285 C ARG A 99 -51.535 -0.365 63.090 1.00 60.55 C ATOM 1286 O ARG A 99 -52.236 0.216 63.920 1.00 32.33 O ATOM 1287 CB ARG A 99 -50.653 -2.517 64.011 1.00 64.31 C ATOM 1288 CG ARG A 99 -49.252 -1.926 64.028 1.00 50.34 C ATOM 1289 CD ARG A 99 -48.884 -1.409 65.410 1.00 24.02 C ATOM 1290 NE ARG A 99 -47.629 -0.661 65.397 1.00 33.44 N ATOM 1291 CZ ARG A 99 -47.535 0.610 65.020 1.00 3.23 C ATOM 1292 NH1 ARG A 99 -48.615 1.271 64.628 1.00 52.25 N ATOM 1293 NH2 ARG A 99 -46.358 1.222 65.035 1.00 41.43 N ATOM 0 H ARG A 99 -50.188 -2.544 61.532 1.00 42.13 H new ATOM 0 HA ARG A 99 -52.593 -2.223 63.137 1.00 32.23 H new ATOM 0 HB2 ARG A 99 -51.102 -2.395 64.997 1.00 64.31 H new ATOM 0 HB3 ARG A 99 -50.584 -3.588 63.823 1.00 64.31 H new ATOM 0 HG2 ARG A 99 -48.532 -2.684 63.718 1.00 50.34 H new ATOM 0 HG3 ARG A 99 -49.190 -1.112 63.305 1.00 50.34 H new ATOM 0 HD2 ARG A 99 -49.684 -0.769 65.783 1.00 24.02 H new ATOM 0 HD3 ARG A 99 -48.799 -2.248 66.100 1.00 24.02 H new ATOM 0 HE ARG A 99 -46.779 -1.140 65.693 1.00 33.44 H new ATOM 0 HH11 ARG A 99 -49.522 0.804 64.615 1.00 52.25 H new ATOM 0 HH12 ARG A 99 -48.539 2.246 64.339 1.00 52.25 H new ATOM 0 HH21 ARG A 99 -45.524 0.717 65.336 1.00 41.43 H new ATOM 0 HH22 ARG A 99 -46.287 2.197 64.746 1.00 41.43 H new ATOM 1304 N VAL A 100 -50.715 0.274 62.263 1.00 4.35 N ATOM 1305 CA VAL A 100 -50.588 1.727 62.282 1.00 63.25 C ATOM 1306 C VAL A 100 -51.705 2.386 61.483 1.00 22.43 C ATOM 1307 O VAL A 100 -52.166 3.478 61.821 1.00 41.34 O ATOM 1308 CB VAL A 100 -49.229 2.179 61.715 1.00 64.03 C ATOM 1309 CG1 VAL A 100 -49.197 2.008 60.204 1.00 71.43 C ATOM 1310 CG2 VAL A 100 -48.945 3.623 62.103 1.00 53.11 C ATOM 0 H VAL A 100 -50.128 -0.191 61.571 1.00 4.35 H new ATOM 0 HA VAL A 100 -50.659 2.038 63.324 1.00 63.25 H new ATOM 0 HB VAL A 100 -48.448 1.551 62.144 1.00 64.03 H new ATOM 0 HG11 VAL A 100 -48.229 2.332 59.822 1.00 71.43 H new ATOM 0 HG12 VAL A 100 -49.353 0.959 59.953 1.00 71.43 H new ATOM 0 HG13 VAL A 100 -49.986 2.610 59.753 1.00 71.43 H new ATOM 0 HG21 VAL A 100 -47.981 3.927 61.695 1.00 53.11 H new ATOM 0 HG22 VAL A 100 -49.728 4.268 61.704 1.00 53.11 H new ATOM 0 HG23 VAL A 100 -48.922 3.710 63.189 1.00 53.11 H new ATOM 1320 N HIS A 101 -52.138 1.717 60.418 1.00 63.43 N ATOM 1321 CA HIS A 101 -53.204 2.239 59.570 1.00 74.43 C ATOM 1322 C HIS A 101 -54.456 1.372 59.675 1.00 11.34 C ATOM 1323 O HIS A 101 -55.258 1.307 58.745 1.00 10.54 O ATOM 1324 CB HIS A 101 -52.738 2.308 58.115 1.00 64.44 C ATOM 1325 CG HIS A 101 -51.718 3.374 57.863 1.00 21.21 C ATOM 1326 ND1 HIS A 101 -51.826 4.654 58.366 1.00 41.03 N ATOM 1327 CD2 HIS A 101 -50.563 3.346 57.158 1.00 75.11 C ATOM 1328 CE1 HIS A 101 -50.783 5.366 57.980 1.00 72.13 C ATOM 1329 NE2 HIS A 101 -50.001 4.596 57.246 1.00 34.01 N ATOM 0 H HIS A 101 -51.767 0.814 60.122 1.00 63.43 H new ATOM 0 HA HIS A 101 -53.450 3.244 59.914 1.00 74.43 H new ATOM 0 HB2 HIS A 101 -52.320 1.342 57.830 1.00 64.44 H new ATOM 0 HB3 HIS A 101 -53.601 2.484 57.474 1.00 64.44 H new ATOM 0 HD2 HIS A 101 -50.158 2.498 56.625 1.00 75.11 H new ATOM 0 HE1 HIS A 101 -50.601 6.402 58.223 1.00 72.13 H new ATOM 0 HE2 HIS A 101 -49.122 4.883 56.815 1.00 34.01 H new