USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 587 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+ -160:sc= 0.755 (180deg=0.493) USER MOD Single : A 25 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0949) USER MOD Single : A 29 GLN : amide:sc= -1.93 K(o=-1.9,f=-4.4) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 150:sc= -0.232 USER MOD Single : A 35 HIS : no HD1:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -151:sc= -0.862 (180deg=-2.07!) USER MOD Single : A 41 THR OG1 : rot 11:sc= 0.83 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0379 USER MOD Single : A 43 HIS :FLIP no HE2:sc= 0.113 F(o=-0.49,f=0.11) USER MOD Single : A 45 LYS NZ :NH3+ 157:sc= 0.35 (180deg=-0.655!) USER MOD Single : A 46 LYS NZ :NH3+ -171:sc= -1.39 (180deg=-1.68) USER MOD Single : A 48 LYS NZ :NH3+ -143:sc= -1.84! (180deg=-4.24!) USER MOD Single : A 50 SER OG : rot 80:sc= 0.736 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 CYS SG : rot 57:sc= 1.11 USER MOD Single : A 53 GLN : amide:sc= -1.13 K(o=-1.1,f=-5.5!) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.536 F(o=-2.4!,f=-0.54) USER MOD Single : A 59 MET CE :methyl -150:sc= -5.55! (180deg=-10!) USER MOD Single : A 60 ASN :FLIP amide:sc= -0.183 F(o=-2.8!,f=-0.18) USER MOD Single : A 61 SER OG : rot 180:sc= -0.0798 USER MOD Single : A 69 GLN :FLIP amide:sc= -0.0757 F(o=-1.4!,f=-0.076) USER MOD Single : A 74 ASN : amide:sc= 0.747 K(o=0.75,f=-0.44) USER MOD Single : A 75 HIS : no HE2:sc= 0.553 K(o=0.55,f=-2.4!) USER MOD Single : A 76 THR OG1 : rot -80:sc= -2.19 USER MOD Single : A 78 LYS NZ :NH3+ 144:sc= 1.25 (180deg=1.17) USER MOD Single : A 82 MET CE :methyl 157:sc= -0.423 (180deg=-2.13) USER MOD Single : A 91 TYR OH : rot 81:sc= 0.699 USER MOD Single : A 92 GLN : amide:sc= -0.771 K(o=-0.77,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 311 N ILE A 22 -7.713 7.091 9.299 1.00 0.00 N ATOM 312 CA ILE A 22 -8.708 6.534 8.413 1.00 0.00 C ATOM 313 C ILE A 22 -8.288 5.168 7.897 1.00 0.00 C ATOM 314 O ILE A 22 -7.098 4.887 7.727 1.00 0.00 O ATOM 315 CB ILE A 22 -9.033 7.497 7.230 1.00 0.00 C ATOM 316 CG1 ILE A 22 -7.756 7.995 6.534 1.00 0.00 C ATOM 317 CG2 ILE A 22 -9.864 8.675 7.711 1.00 0.00 C ATOM 318 CD1 ILE A 22 -7.278 7.102 5.413 1.00 0.00 C ATOM 0 HA ILE A 22 -9.620 6.409 8.997 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.611 6.931 6.499 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -7.937 8.994 6.137 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.962 8.086 7.276 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -10.080 9.335 6.871 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.799 8.311 8.136 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.309 9.225 8.471 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.373 7.522 4.974 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.063 6.108 5.806 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -8.053 7.030 4.649 1.00 0.00 H new ATOM 330 N LYS A 23 -9.260 4.307 7.665 1.00 0.00 N ATOM 331 CA LYS A 23 -8.985 2.974 7.179 1.00 0.00 C ATOM 332 C LYS A 23 -9.087 2.935 5.675 1.00 0.00 C ATOM 333 O LYS A 23 -9.850 3.684 5.075 1.00 0.00 O ATOM 334 CB LYS A 23 -9.945 1.946 7.787 1.00 0.00 C ATOM 335 CG LYS A 23 -11.372 2.069 7.285 1.00 0.00 C ATOM 336 CD LYS A 23 -12.127 0.766 7.447 1.00 0.00 C ATOM 337 CE LYS A 23 -13.449 0.814 6.714 1.00 0.00 C ATOM 338 NZ LYS A 23 -14.096 -0.516 6.637 1.00 0.00 N ATOM 0 H LYS A 23 -10.249 4.510 7.807 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.971 2.715 7.482 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -9.577 0.944 7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.940 2.055 8.871 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.885 2.860 7.832 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.366 2.360 6.235 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.524 -0.058 7.065 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.300 0.570 8.505 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.117 1.512 7.219 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -13.290 1.197 5.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.795 -0.518 5.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.375 -1.243 6.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -14.573 -0.723 7.538 1.00 0.00 H new ATOM 352 N LEU A 24 -8.314 2.076 5.064 1.00 0.00 N ATOM 353 CA LEU A 24 -8.324 1.920 3.630 1.00 0.00 C ATOM 354 C LEU A 24 -8.245 0.449 3.275 1.00 0.00 C ATOM 355 O LEU A 24 -8.149 -0.416 4.163 1.00 0.00 O ATOM 356 CB LEU A 24 -7.150 2.669 3.015 1.00 0.00 C ATOM 357 CG LEU A 24 -6.939 4.079 3.539 1.00 0.00 C ATOM 358 CD1 LEU A 24 -5.478 4.329 3.814 1.00 0.00 C ATOM 359 CD2 LEU A 24 -7.482 5.090 2.562 1.00 0.00 C ATOM 0 H LEU A 24 -7.657 1.462 5.546 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.251 2.334 3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.241 2.094 3.189 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.295 2.717 1.936 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.483 4.185 4.478 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.347 5.344 4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -5.121 3.618 4.559 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.908 4.206 2.893 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.323 6.095 2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.967 4.986 1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.549 4.921 2.419 1.00 0.00 H new ATOM 371 N LYS A 25 -8.248 0.160 1.993 1.00 0.00 N ATOM 372 CA LYS A 25 -8.221 -1.196 1.511 1.00 0.00 C ATOM 373 C LYS A 25 -7.506 -1.255 0.169 1.00 0.00 C ATOM 374 O LYS A 25 -7.648 -0.364 -0.663 1.00 0.00 O ATOM 375 CB LYS A 25 -9.654 -1.736 1.397 1.00 0.00 C ATOM 376 CG LYS A 25 -9.778 -3.098 0.716 1.00 0.00 C ATOM 377 CD LYS A 25 -10.313 -2.969 -0.706 1.00 0.00 C ATOM 378 CE LYS A 25 -11.723 -2.394 -0.720 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.284 -2.321 -2.091 1.00 0.00 N ATOM 0 H LYS A 25 -8.269 0.864 1.255 1.00 0.00 H new ATOM 0 HA LYS A 25 -7.674 -1.822 2.216 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.080 -1.807 2.398 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.255 -1.014 0.845 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.803 -3.585 0.696 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.442 -3.737 1.298 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.651 -2.328 -1.288 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.313 -3.947 -1.186 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.371 -3.010 -0.096 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.711 -1.397 -0.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.185 -1.802 -2.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -11.614 -1.827 -2.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.447 -3.283 -2.451 1.00 0.00 H new ATOM 393 N VAL A 26 -6.738 -2.300 -0.046 1.00 0.00 N ATOM 394 CA VAL A 26 -5.998 -2.445 -1.297 1.00 0.00 C ATOM 395 C VAL A 26 -6.097 -3.870 -1.788 1.00 0.00 C ATOM 396 O VAL A 26 -6.093 -4.812 -0.991 1.00 0.00 O ATOM 397 CB VAL A 26 -4.498 -2.014 -1.186 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.337 -0.787 -0.316 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.631 -3.132 -0.678 1.00 0.00 C ATOM 0 H VAL A 26 -6.605 -3.062 0.619 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.459 -1.767 -2.015 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.168 -1.765 -2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.283 -0.516 -0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.903 0.040 -0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.710 -1.000 0.686 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.597 -2.791 -0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.973 -3.437 0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.693 -3.980 -1.361 1.00 0.00 H new ATOM 409 N ILE A 27 -6.217 -4.034 -3.090 1.00 0.00 N ATOM 410 CA ILE A 27 -6.372 -5.347 -3.688 1.00 0.00 C ATOM 411 C ILE A 27 -5.289 -5.585 -4.719 1.00 0.00 C ATOM 412 O ILE A 27 -4.885 -4.668 -5.437 1.00 0.00 O ATOM 413 CB ILE A 27 -7.756 -5.476 -4.360 1.00 0.00 C ATOM 414 CG1 ILE A 27 -8.844 -5.115 -3.360 1.00 0.00 C ATOM 415 CG2 ILE A 27 -7.974 -6.891 -4.895 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.192 -4.859 -3.990 1.00 0.00 C ATOM 0 H ILE A 27 -6.210 -3.266 -3.761 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.289 -6.093 -2.897 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.800 -4.788 -5.204 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -8.940 -5.923 -2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.537 -4.226 -2.808 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -8.956 -6.956 -5.364 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -7.205 -7.124 -5.631 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -7.917 -7.604 -4.072 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -10.915 -4.608 -3.214 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.113 -4.031 -4.694 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.523 -5.754 -4.518 1.00 0.00 H new ATOM 428 N GLY A 28 -4.803 -6.807 -4.793 1.00 0.00 N ATOM 429 CA GLY A 28 -3.774 -7.120 -5.749 1.00 0.00 C ATOM 430 C GLY A 28 -4.166 -8.246 -6.666 1.00 0.00 C ATOM 431 O GLY A 28 -5.203 -8.880 -6.475 1.00 0.00 O ATOM 0 H GLY A 28 -5.102 -7.587 -4.208 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.551 -6.233 -6.342 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.860 -7.388 -5.220 1.00 0.00 H new ATOM 435 N GLN A 29 -3.319 -8.527 -7.649 1.00 0.00 N ATOM 436 CA GLN A 29 -3.575 -9.579 -8.641 1.00 0.00 C ATOM 437 C GLN A 29 -3.593 -10.970 -8.006 1.00 0.00 C ATOM 438 O GLN A 29 -3.887 -11.963 -8.661 1.00 0.00 O ATOM 439 CB GLN A 29 -2.533 -9.525 -9.768 1.00 0.00 C ATOM 440 CG GLN A 29 -1.129 -10.008 -9.393 1.00 0.00 C ATOM 441 CD GLN A 29 -0.476 -9.188 -8.293 1.00 0.00 C ATOM 442 OE1 GLN A 29 0.097 -8.140 -8.542 1.00 0.00 O ATOM 443 NE2 GLN A 29 -0.522 -9.693 -7.081 1.00 0.00 N ATOM 0 H GLN A 29 -2.435 -8.036 -7.786 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.564 -9.393 -9.061 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.894 -10.127 -10.602 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.461 -8.497 -10.124 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.185 -11.049 -9.074 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.496 -9.980 -10.280 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.011 -10.572 -6.913 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.068 -9.206 -6.308 1.00 0.00 H new ATOM 452 N ASP A 30 -3.277 -11.033 -6.727 1.00 0.00 N ATOM 453 CA ASP A 30 -3.286 -12.284 -5.988 1.00 0.00 C ATOM 454 C ASP A 30 -4.703 -12.586 -5.510 1.00 0.00 C ATOM 455 O ASP A 30 -4.960 -13.619 -4.894 1.00 0.00 O ATOM 456 CB ASP A 30 -2.326 -12.196 -4.786 1.00 0.00 C ATOM 457 CG ASP A 30 -2.263 -13.478 -3.966 1.00 0.00 C ATOM 458 OD1 ASP A 30 -1.704 -14.482 -4.455 1.00 0.00 O ATOM 459 OD2 ASP A 30 -2.760 -13.479 -2.823 1.00 0.00 O ATOM 0 H ASP A 30 -3.007 -10.222 -6.171 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.951 -13.089 -6.642 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.326 -11.955 -5.146 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.639 -11.376 -4.140 1.00 0.00 H new ATOM 464 N SER A 31 -5.640 -11.668 -5.804 1.00 0.00 N ATOM 465 CA SER A 31 -7.034 -11.801 -5.380 1.00 0.00 C ATOM 466 C SER A 31 -7.152 -11.687 -3.863 1.00 0.00 C ATOM 467 O SER A 31 -8.127 -12.123 -3.254 1.00 0.00 O ATOM 468 CB SER A 31 -7.646 -13.105 -5.904 1.00 0.00 C ATOM 469 OG SER A 31 -7.620 -13.126 -7.328 1.00 0.00 O ATOM 0 H SER A 31 -5.449 -10.821 -6.339 1.00 0.00 H new ATOM 0 HA SER A 31 -7.605 -10.980 -5.814 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.093 -13.958 -5.511 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.673 -13.201 -5.551 1.00 0.00 H new ATOM 0 HG SER A 31 -8.012 -13.964 -7.650 1.00 0.00 H new ATOM 475 N SER A 32 -6.153 -11.071 -3.261 1.00 0.00 N ATOM 476 CA SER A 32 -6.133 -10.847 -1.844 1.00 0.00 C ATOM 477 C SER A 32 -6.207 -9.346 -1.578 1.00 0.00 C ATOM 478 O SER A 32 -5.997 -8.528 -2.497 1.00 0.00 O ATOM 479 CB SER A 32 -4.854 -11.444 -1.242 1.00 0.00 C ATOM 480 OG SER A 32 -4.859 -11.371 0.172 1.00 0.00 O ATOM 0 H SER A 32 -5.333 -10.714 -3.751 1.00 0.00 H new ATOM 0 HA SER A 32 -6.989 -11.334 -1.377 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.756 -12.484 -1.553 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.986 -10.912 -1.631 1.00 0.00 H new ATOM 0 HG SER A 32 -4.346 -12.121 0.540 1.00 0.00 H new ATOM 486 N GLU A 33 -6.487 -8.974 -0.343 1.00 0.00 N ATOM 487 CA GLU A 33 -6.605 -7.583 0.014 1.00 0.00 C ATOM 488 C GLU A 33 -6.186 -7.364 1.459 1.00 0.00 C ATOM 489 O GLU A 33 -6.174 -8.296 2.270 1.00 0.00 O ATOM 490 CB GLU A 33 -8.045 -7.066 -0.192 1.00 0.00 C ATOM 491 CG GLU A 33 -9.020 -7.417 0.932 1.00 0.00 C ATOM 492 CD GLU A 33 -9.614 -8.803 0.814 1.00 0.00 C ATOM 493 OE1 GLU A 33 -8.958 -9.783 1.230 1.00 0.00 O ATOM 494 OE2 GLU A 33 -10.756 -8.912 0.322 1.00 0.00 O ATOM 0 H GLU A 33 -6.637 -9.623 0.429 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.941 -7.021 -0.643 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.014 -5.982 -0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.431 -7.470 -1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.503 -7.334 1.888 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.828 -6.685 0.941 1.00 0.00 H new ATOM 501 N ILE A 34 -5.847 -6.138 1.784 1.00 0.00 N ATOM 502 CA ILE A 34 -5.487 -5.785 3.145 1.00 0.00 C ATOM 503 C ILE A 34 -6.257 -4.535 3.569 1.00 0.00 C ATOM 504 O ILE A 34 -6.508 -3.630 2.752 1.00 0.00 O ATOM 505 CB ILE A 34 -3.951 -5.542 3.307 1.00 0.00 C ATOM 506 CG1 ILE A 34 -3.569 -5.303 4.770 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.492 -4.392 2.456 1.00 0.00 C ATOM 508 CD1 ILE A 34 -3.453 -6.569 5.581 1.00 0.00 C ATOM 0 H ILE A 34 -5.812 -5.362 1.123 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.752 -6.626 3.786 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.446 -6.447 2.969 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -2.618 -4.771 4.806 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.315 -4.655 5.230 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.420 -4.246 2.589 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.702 -4.608 1.408 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.021 -3.486 2.752 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.180 -6.320 6.606 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.409 -7.093 5.577 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.686 -7.210 5.147 1.00 0.00 H new ATOM 520 N HIS A 35 -6.683 -4.507 4.823 1.00 0.00 N ATOM 521 CA HIS A 35 -7.374 -3.351 5.383 1.00 0.00 C ATOM 522 C HIS A 35 -6.489 -2.745 6.451 1.00 0.00 C ATOM 523 O HIS A 35 -5.966 -3.461 7.304 1.00 0.00 O ATOM 524 CB HIS A 35 -8.714 -3.754 6.023 1.00 0.00 C ATOM 525 CG HIS A 35 -9.624 -4.576 5.155 1.00 0.00 C ATOM 526 ND1 HIS A 35 -10.560 -5.444 5.670 1.00 0.00 N ATOM 527 CD2 HIS A 35 -9.749 -4.654 3.810 1.00 0.00 C ATOM 528 CE1 HIS A 35 -11.217 -6.022 4.685 1.00 0.00 C ATOM 529 NE2 HIS A 35 -10.746 -5.560 3.540 1.00 0.00 N ATOM 0 H HIS A 35 -6.561 -5.279 5.479 1.00 0.00 H new ATOM 0 HA HIS A 35 -7.578 -2.641 4.582 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.507 -4.314 6.935 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.243 -2.848 6.318 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.171 -4.105 3.082 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -12.007 -6.750 4.795 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -11.069 -5.831 2.611 1.00 0.00 H new ATOM 538 N PHE A 36 -6.303 -1.445 6.423 1.00 0.00 N ATOM 539 CA PHE A 36 -5.435 -0.802 7.399 1.00 0.00 C ATOM 540 C PHE A 36 -5.929 0.577 7.755 1.00 0.00 C ATOM 541 O PHE A 36 -6.514 1.268 6.930 1.00 0.00 O ATOM 542 CB PHE A 36 -3.994 -0.720 6.867 1.00 0.00 C ATOM 543 CG PHE A 36 -3.912 -0.317 5.427 1.00 0.00 C ATOM 544 CD1 PHE A 36 -3.954 1.012 5.059 1.00 0.00 C ATOM 545 CD2 PHE A 36 -3.803 -1.276 4.439 1.00 0.00 C ATOM 546 CE1 PHE A 36 -3.888 1.378 3.736 1.00 0.00 C ATOM 547 CE2 PHE A 36 -3.739 -0.916 3.116 1.00 0.00 C ATOM 548 CZ PHE A 36 -3.783 0.413 2.764 1.00 0.00 C ATOM 0 H PHE A 36 -6.732 -0.814 5.747 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.450 -1.412 8.302 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.433 -0.005 7.469 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.513 -1.690 6.993 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.040 1.774 5.820 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.768 -2.321 4.710 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.919 2.422 3.461 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.654 -1.675 2.352 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.735 0.698 1.723 1.00 0.00 H new ATOM 584 N VAL A 38 -4.592 4.064 8.824 1.00 0.00 N ATOM 585 CA VAL A 38 -3.418 4.896 8.908 1.00 0.00 C ATOM 586 C VAL A 38 -3.779 6.289 9.389 1.00 0.00 C ATOM 587 O VAL A 38 -4.907 6.546 9.789 1.00 0.00 O ATOM 588 CB VAL A 38 -2.691 4.986 7.545 1.00 0.00 C ATOM 589 CG1 VAL A 38 -2.218 3.612 7.102 1.00 0.00 C ATOM 590 CG2 VAL A 38 -3.595 5.611 6.489 1.00 0.00 C ATOM 0 HA VAL A 38 -2.743 4.434 9.629 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.818 5.628 7.665 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -1.709 3.695 6.142 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.530 3.207 7.844 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.076 2.947 7.002 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.063 5.664 5.539 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.490 5.001 6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -3.879 6.616 6.802 1.00 0.00 H new ATOM 600 N LYS A 39 -2.830 7.194 9.325 1.00 0.00 N ATOM 601 CA LYS A 39 -3.044 8.551 9.776 1.00 0.00 C ATOM 602 C LYS A 39 -3.429 9.418 8.598 1.00 0.00 C ATOM 603 O LYS A 39 -3.272 9.010 7.444 1.00 0.00 O ATOM 604 CB LYS A 39 -1.766 9.108 10.405 1.00 0.00 C ATOM 605 CG LYS A 39 -1.149 8.213 11.461 1.00 0.00 C ATOM 606 CD LYS A 39 0.139 8.808 11.996 1.00 0.00 C ATOM 607 CE LYS A 39 0.795 7.891 13.007 1.00 0.00 C ATOM 608 NZ LYS A 39 2.021 8.493 13.579 1.00 0.00 N ATOM 0 H LYS A 39 -1.894 7.013 8.962 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.841 8.552 10.519 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.032 9.280 9.617 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.987 10.077 10.851 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.855 8.071 12.279 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.950 7.229 11.037 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.826 8.992 11.170 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.069 9.773 12.459 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.090 7.670 13.809 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.044 6.943 12.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.442 7.836 14.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.703 8.681 12.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.780 9.385 14.056 1.00 0.00 H new ATOM 622 N MET A 40 -3.937 10.613 8.875 1.00 0.00 N ATOM 623 CA MET A 40 -4.273 11.567 7.825 1.00 0.00 C ATOM 624 C MET A 40 -3.050 11.819 6.953 1.00 0.00 C ATOM 625 O MET A 40 -3.143 11.930 5.731 1.00 0.00 O ATOM 626 CB MET A 40 -4.765 12.883 8.438 1.00 0.00 C ATOM 627 CG MET A 40 -5.180 13.961 7.427 1.00 0.00 C ATOM 628 SD MET A 40 -6.756 13.618 6.589 1.00 0.00 S ATOM 629 CE MET A 40 -6.238 12.575 5.219 1.00 0.00 C ATOM 0 H MET A 40 -4.126 10.945 9.821 1.00 0.00 H new ATOM 0 HA MET A 40 -5.072 11.152 7.211 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.615 12.668 9.085 1.00 0.00 H new ATOM 0 HB3 MET A 40 -3.976 13.287 9.072 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.255 14.919 7.942 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.396 14.063 6.677 1.00 0.00 H new ATOM 0 HE1 MET A 40 -6.923 12.707 4.382 1.00 0.00 H new ATOM 0 HE2 MET A 40 -5.230 12.853 4.911 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.246 11.531 5.533 1.00 0.00 H new ATOM 639 N THR A 41 -1.890 11.890 7.583 1.00 0.00 N ATOM 640 CA THR A 41 -0.652 12.091 6.878 1.00 0.00 C ATOM 641 C THR A 41 0.381 11.063 7.390 1.00 0.00 C ATOM 642 O THR A 41 0.708 11.045 8.581 1.00 0.00 O ATOM 643 CB THR A 41 -0.125 13.533 7.136 1.00 0.00 C ATOM 644 OG1 THR A 41 0.261 13.671 8.509 1.00 0.00 O ATOM 645 CG2 THR A 41 -1.215 14.561 6.846 1.00 0.00 C ATOM 0 H THR A 41 -1.788 11.809 8.595 1.00 0.00 H new ATOM 0 HA THR A 41 -0.811 11.960 5.808 1.00 0.00 H new ATOM 0 HB THR A 41 0.728 13.703 6.480 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.276 12.788 8.935 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.829 15.563 7.032 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.525 14.479 5.804 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.071 14.376 7.495 1.00 0.00 H new ATOM 653 N THR A 42 0.875 10.195 6.513 1.00 0.00 N ATOM 654 CA THR A 42 1.872 9.192 6.903 1.00 0.00 C ATOM 655 C THR A 42 2.397 8.456 5.669 1.00 0.00 C ATOM 656 O THR A 42 1.844 8.589 4.575 1.00 0.00 O ATOM 657 CB THR A 42 1.292 8.165 7.919 1.00 0.00 C ATOM 658 OG1 THR A 42 2.351 7.390 8.498 1.00 0.00 O ATOM 659 CG2 THR A 42 0.305 7.224 7.241 1.00 0.00 C ATOM 0 H THR A 42 0.605 10.162 5.530 1.00 0.00 H new ATOM 0 HA THR A 42 2.692 9.721 7.389 1.00 0.00 H new ATOM 0 HB THR A 42 0.773 8.724 8.698 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.975 6.749 9.137 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.085 6.517 7.973 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.518 7.802 6.820 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.811 6.679 6.444 1.00 0.00 H new ATOM 667 N HIS A 43 3.445 7.664 5.843 1.00 0.00 N ATOM 668 CA HIS A 43 4.030 6.923 4.739 1.00 0.00 C ATOM 669 C HIS A 43 3.335 5.579 4.560 1.00 0.00 C ATOM 670 O HIS A 43 3.282 4.758 5.474 1.00 0.00 O ATOM 671 CB HIS A 43 5.530 6.716 4.951 1.00 0.00 C ATOM 672 CG HIS A 43 6.320 7.989 4.981 1.00 0.00 C ATOM 673 ND1 HIS A 43 6.415 8.994 4.080 1.00 0.00 N flip ATOM 674 CD2 HIS A 43 7.142 8.337 6.025 1.00 0.00 C flip ATOM 675 CE1 HIS A 43 7.286 9.922 4.595 1.00 0.00 C flip ATOM 676 NE2 HIS A 43 7.709 9.499 5.769 1.00 0.00 N flip ATOM 0 H HIS A 43 3.907 7.519 6.741 1.00 0.00 H new ATOM 0 HA HIS A 43 3.888 7.512 3.833 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.684 6.182 5.889 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.915 6.079 4.154 1.00 0.00 H new ATOM 0 HD1 HIS A 43 5.930 9.051 3.185 1.00 0.00 H new ATOM 0 HD2 HIS A 43 7.299 7.749 6.917 1.00 0.00 H new ATOM 0 HE1 HIS A 43 7.576 10.846 4.117 1.00 0.00 H new ATOM 685 N LEU A 44 2.816 5.354 3.366 1.00 0.00 N ATOM 686 CA LEU A 44 2.083 4.123 3.036 1.00 0.00 C ATOM 687 C LEU A 44 2.967 2.862 3.081 1.00 0.00 C ATOM 688 O LEU A 44 2.473 1.727 2.984 1.00 0.00 O ATOM 689 CB LEU A 44 1.402 4.263 1.676 1.00 0.00 C ATOM 690 CG LEU A 44 0.363 5.389 1.571 1.00 0.00 C ATOM 691 CD1 LEU A 44 -0.383 5.314 0.254 1.00 0.00 C ATOM 692 CD2 LEU A 44 -0.612 5.346 2.742 1.00 0.00 C ATOM 0 H LEU A 44 2.885 6.013 2.591 1.00 0.00 H new ATOM 0 HA LEU A 44 1.324 3.989 3.807 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.170 4.429 0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.915 3.319 1.434 1.00 0.00 H new ATOM 0 HG LEU A 44 0.896 6.339 1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.113 6.122 0.203 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.323 5.411 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.897 4.355 0.181 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.336 6.154 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.134 4.389 2.746 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.064 5.464 3.677 1.00 0.00 H new ATOM 704 N LYS A 45 4.265 3.046 3.219 1.00 0.00 N ATOM 705 CA LYS A 45 5.195 1.925 3.293 1.00 0.00 C ATOM 706 C LYS A 45 4.805 0.977 4.442 1.00 0.00 C ATOM 707 O LYS A 45 5.007 -0.236 4.364 1.00 0.00 O ATOM 708 CB LYS A 45 6.628 2.453 3.467 1.00 0.00 C ATOM 709 CG LYS A 45 7.720 1.420 3.210 1.00 0.00 C ATOM 710 CD LYS A 45 8.049 0.602 4.445 1.00 0.00 C ATOM 711 CE LYS A 45 8.657 1.460 5.539 1.00 0.00 C ATOM 712 NZ LYS A 45 9.019 0.656 6.731 1.00 0.00 N ATOM 0 H LYS A 45 4.706 3.964 3.283 1.00 0.00 H new ATOM 0 HA LYS A 45 5.148 1.355 2.365 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.776 3.295 2.791 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.740 2.836 4.481 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.402 0.752 2.410 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.621 1.927 2.863 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.143 0.125 4.818 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.743 -0.195 4.179 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.545 1.962 5.156 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.950 2.238 5.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.754 1.152 7.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.178 0.522 7.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.379 -0.271 6.428 1.00 0.00 H new ATOM 726 N LYS A 46 4.198 1.533 5.490 1.00 0.00 N ATOM 727 CA LYS A 46 3.767 0.742 6.639 1.00 0.00 C ATOM 728 C LYS A 46 2.646 -0.238 6.248 1.00 0.00 C ATOM 729 O LYS A 46 2.459 -1.287 6.884 1.00 0.00 O ATOM 730 CB LYS A 46 3.314 1.667 7.788 1.00 0.00 C ATOM 731 CG LYS A 46 2.015 2.434 7.525 1.00 0.00 C ATOM 732 CD LYS A 46 0.781 1.637 7.957 1.00 0.00 C ATOM 733 CE LYS A 46 0.455 1.827 9.441 1.00 0.00 C ATOM 734 NZ LYS A 46 1.583 1.456 10.338 1.00 0.00 N ATOM 0 H LYS A 46 3.994 2.530 5.566 1.00 0.00 H new ATOM 0 HA LYS A 46 4.616 0.152 6.985 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.188 1.067 8.690 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.108 2.385 7.991 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.039 3.383 8.061 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.941 2.669 6.463 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.075 1.945 7.357 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.947 0.578 7.757 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.186 2.868 9.617 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.417 1.225 9.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.257 1.459 11.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.926 0.506 10.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.356 2.143 10.227 1.00 0.00 H new ATOM 748 N LEU A 47 1.902 0.087 5.190 1.00 0.00 N ATOM 749 CA LEU A 47 0.823 -0.779 4.753 1.00 0.00 C ATOM 750 C LEU A 47 1.398 -1.890 3.914 1.00 0.00 C ATOM 751 O LEU A 47 0.895 -3.010 3.915 1.00 0.00 O ATOM 752 CB LEU A 47 -0.274 -0.003 3.995 1.00 0.00 C ATOM 753 CG LEU A 47 -0.013 0.331 2.521 1.00 0.00 C ATOM 754 CD1 LEU A 47 -0.443 -0.810 1.606 1.00 0.00 C ATOM 755 CD2 LEU A 47 -0.719 1.608 2.142 1.00 0.00 C ATOM 0 H LEU A 47 2.029 0.931 4.632 1.00 0.00 H new ATOM 0 HA LEU A 47 0.336 -1.205 5.631 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.196 -0.582 4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.453 0.932 4.526 1.00 0.00 H new ATOM 0 HG LEU A 47 1.061 0.470 2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.244 -0.540 0.569 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.116 -1.711 1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.509 -0.997 1.734 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.525 1.833 1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.792 1.490 2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.351 2.425 2.763 1.00 0.00 H new ATOM 767 N LYS A 48 2.480 -1.580 3.186 1.00 0.00 N ATOM 768 CA LYS A 48 3.184 -2.603 2.408 1.00 0.00 C ATOM 769 C LYS A 48 3.654 -3.706 3.330 1.00 0.00 C ATOM 770 O LYS A 48 3.499 -4.896 3.041 1.00 0.00 O ATOM 771 CB LYS A 48 4.396 -2.025 1.678 1.00 0.00 C ATOM 772 CG LYS A 48 4.105 -1.424 0.319 1.00 0.00 C ATOM 773 CD LYS A 48 3.332 -0.126 0.413 1.00 0.00 C ATOM 774 CE LYS A 48 3.270 0.559 -0.937 1.00 0.00 C ATOM 775 NZ LYS A 48 4.572 0.468 -1.658 1.00 0.00 N ATOM 0 H LYS A 48 2.880 -0.644 3.121 1.00 0.00 H new ATOM 0 HA LYS A 48 2.486 -2.991 1.666 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.847 -1.258 2.307 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.137 -2.815 1.557 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.044 -1.247 -0.205 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.538 -2.139 -0.277 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.322 -0.323 0.773 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.806 0.534 1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.486 0.103 -1.541 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.000 1.606 -0.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.744 1.352 -2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.339 0.315 -0.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.543 -0.327 -2.328 1.00 0.00 H new ATOM 789 N GLU A 49 4.234 -3.300 4.452 1.00 0.00 N ATOM 790 CA GLU A 49 4.723 -4.235 5.450 1.00 0.00 C ATOM 791 C GLU A 49 3.589 -5.091 5.967 1.00 0.00 C ATOM 792 O GLU A 49 3.652 -6.308 5.928 1.00 0.00 O ATOM 793 CB GLU A 49 5.368 -3.482 6.605 1.00 0.00 C ATOM 794 CG GLU A 49 6.432 -2.511 6.150 1.00 0.00 C ATOM 795 CD GLU A 49 7.108 -1.780 7.288 1.00 0.00 C ATOM 796 OE1 GLU A 49 6.628 -0.695 7.677 1.00 0.00 O ATOM 797 OE2 GLU A 49 8.133 -2.270 7.785 1.00 0.00 O ATOM 0 H GLU A 49 4.377 -2.319 4.693 1.00 0.00 H new ATOM 0 HA GLU A 49 5.469 -4.879 4.985 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.598 -2.939 7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.809 -4.198 7.298 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.186 -3.052 5.578 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.983 -1.782 5.476 1.00 0.00 H new ATOM 804 N SER A 50 2.529 -4.442 6.413 1.00 0.00 N ATOM 805 CA SER A 50 1.365 -5.142 6.949 1.00 0.00 C ATOM 806 C SER A 50 0.749 -6.101 5.906 1.00 0.00 C ATOM 807 O SER A 50 0.141 -7.121 6.252 1.00 0.00 O ATOM 808 CB SER A 50 0.334 -4.123 7.438 1.00 0.00 C ATOM 809 OG SER A 50 0.919 -3.240 8.386 1.00 0.00 O ATOM 0 H SER A 50 2.446 -3.425 6.416 1.00 0.00 H new ATOM 0 HA SER A 50 1.686 -5.754 7.792 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.053 -3.554 6.593 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.513 -4.641 7.888 1.00 0.00 H new ATOM 0 HG SER A 50 1.438 -2.554 7.917 1.00 0.00 H new ATOM 815 N TYR A 51 0.938 -5.788 4.631 1.00 0.00 N ATOM 816 CA TYR A 51 0.425 -6.635 3.560 1.00 0.00 C ATOM 817 C TYR A 51 1.306 -7.879 3.445 1.00 0.00 C ATOM 818 O TYR A 51 0.830 -9.017 3.490 1.00 0.00 O ATOM 819 CB TYR A 51 0.388 -5.874 2.217 1.00 0.00 C ATOM 820 CG TYR A 51 -0.481 -6.518 1.132 1.00 0.00 C ATOM 821 CD1 TYR A 51 -0.393 -7.871 0.844 1.00 0.00 C ATOM 822 CD2 TYR A 51 -1.387 -5.762 0.401 1.00 0.00 C ATOM 823 CE1 TYR A 51 -1.174 -8.453 -0.134 1.00 0.00 C ATOM 824 CE2 TYR A 51 -2.177 -6.338 -0.585 1.00 0.00 C ATOM 825 CZ TYR A 51 -2.062 -7.681 -0.846 1.00 0.00 C ATOM 826 OH TYR A 51 -2.837 -8.257 -1.829 1.00 0.00 O ATOM 0 H TYR A 51 1.440 -4.959 4.313 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.597 -6.929 3.798 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.025 -4.863 2.400 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.407 -5.784 1.840 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.303 -8.484 1.398 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.479 -4.705 0.603 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.088 -9.510 -0.339 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.877 -5.734 -1.143 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.411 -7.574 -2.235 1.00 0.00 H new ATOM 836 N CYS A 52 2.601 -7.656 3.323 1.00 0.00 N ATOM 837 CA CYS A 52 3.567 -8.732 3.179 1.00 0.00 C ATOM 838 C CYS A 52 3.614 -9.608 4.432 1.00 0.00 C ATOM 839 O CYS A 52 3.869 -10.807 4.358 1.00 0.00 O ATOM 840 CB CYS A 52 4.953 -8.148 2.872 1.00 0.00 C ATOM 841 SG CYS A 52 6.215 -9.374 2.464 1.00 0.00 S ATOM 0 H CYS A 52 3.014 -6.724 3.321 1.00 0.00 H new ATOM 0 HA CYS A 52 3.256 -9.366 2.349 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.862 -7.450 2.040 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.290 -7.573 3.735 1.00 0.00 H new ATOM 0 HG CYS A 52 5.813 -10.092 1.457 1.00 0.00 H new ATOM 847 N GLN A 53 3.359 -9.009 5.580 1.00 0.00 N ATOM 848 CA GLN A 53 3.378 -9.726 6.845 1.00 0.00 C ATOM 849 C GLN A 53 2.161 -10.624 7.016 1.00 0.00 C ATOM 850 O GLN A 53 2.277 -11.772 7.443 1.00 0.00 O ATOM 851 CB GLN A 53 3.479 -8.742 8.005 1.00 0.00 C ATOM 852 CG GLN A 53 4.821 -8.021 8.060 1.00 0.00 C ATOM 853 CD GLN A 53 5.959 -8.932 8.496 1.00 0.00 C ATOM 854 OE1 GLN A 53 5.946 -10.134 8.239 1.00 0.00 O ATOM 855 NE2 GLN A 53 6.941 -8.367 9.161 1.00 0.00 N ATOM 0 H GLN A 53 3.134 -8.018 5.664 1.00 0.00 H new ATOM 0 HA GLN A 53 4.256 -10.371 6.841 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.680 -8.005 7.920 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.321 -9.276 8.942 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.048 -7.608 7.077 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.749 -7.180 8.750 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.916 -7.366 9.355 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.729 -8.929 9.483 1.00 0.00 H new ATOM 864 N ARG A 54 0.993 -10.111 6.675 1.00 0.00 N ATOM 865 CA ARG A 54 -0.243 -10.853 6.855 1.00 0.00 C ATOM 866 C ARG A 54 -0.469 -11.871 5.749 1.00 0.00 C ATOM 867 O ARG A 54 -0.807 -13.020 6.008 1.00 0.00 O ATOM 868 CB ARG A 54 -1.420 -9.905 6.927 1.00 0.00 C ATOM 869 CG ARG A 54 -2.762 -10.609 6.960 1.00 0.00 C ATOM 870 CD ARG A 54 -3.869 -9.654 7.310 1.00 0.00 C ATOM 871 NE ARG A 54 -5.180 -10.176 6.915 1.00 0.00 N ATOM 872 CZ ARG A 54 -6.311 -10.019 7.611 1.00 0.00 C ATOM 873 NH1 ARG A 54 -6.298 -9.390 8.782 1.00 0.00 N ATOM 874 NH2 ARG A 54 -7.452 -10.507 7.137 1.00 0.00 N ATOM 0 H ARG A 54 0.873 -9.182 6.271 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.154 -11.399 7.794 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.322 -9.284 7.818 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.391 -9.236 6.067 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.962 -11.061 5.989 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.733 -11.419 7.689 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.861 -9.465 8.383 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.694 -8.698 6.817 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.234 -10.700 6.041 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.422 -9.024 9.155 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -7.164 -9.274 9.308 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.464 -11.000 6.244 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -8.316 -10.389 7.666 1.00 0.00 H new ATOM 888 N GLN A 55 -0.283 -11.456 4.516 1.00 0.00 N ATOM 889 CA GLN A 55 -0.535 -12.335 3.390 1.00 0.00 C ATOM 890 C GLN A 55 0.689 -13.167 3.046 1.00 0.00 C ATOM 891 O GLN A 55 0.595 -14.157 2.323 1.00 0.00 O ATOM 892 CB GLN A 55 -1.003 -11.532 2.175 1.00 0.00 C ATOM 893 CG GLN A 55 -2.479 -11.130 2.223 1.00 0.00 C ATOM 894 CD GLN A 55 -2.794 -10.055 3.253 1.00 0.00 C ATOM 895 OE1 GLN A 55 -1.880 -9.123 3.445 1.00 0.00 O flip ATOM 896 NE2 GLN A 55 -3.865 -10.051 3.853 1.00 0.00 N flip ATOM 0 H GLN A 55 0.040 -10.521 4.265 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.329 -13.023 3.678 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.395 -10.631 2.092 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.827 -12.120 1.274 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.780 -10.774 1.238 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.079 -12.014 2.440 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.549 -10.787 3.680 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.071 -9.311 4.524 1.00 0.00 H new ATOM 905 N GLY A 56 1.834 -12.777 3.582 1.00 0.00 N ATOM 906 CA GLY A 56 3.072 -13.509 3.335 1.00 0.00 C ATOM 907 C GLY A 56 3.427 -13.594 1.857 1.00 0.00 C ATOM 908 O GLY A 56 4.016 -14.574 1.400 1.00 0.00 O ATOM 0 H GLY A 56 1.935 -11.963 4.188 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.888 -13.024 3.872 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.979 -14.517 3.739 1.00 0.00 H new ATOM 912 N VAL A 57 3.068 -12.569 1.106 1.00 0.00 N ATOM 913 CA VAL A 57 3.341 -12.532 -0.323 1.00 0.00 C ATOM 914 C VAL A 57 4.407 -11.481 -0.636 1.00 0.00 C ATOM 915 O VAL A 57 4.636 -10.572 0.163 1.00 0.00 O ATOM 916 CB VAL A 57 2.051 -12.250 -1.145 1.00 0.00 C ATOM 917 CG1 VAL A 57 1.135 -13.461 -1.133 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.318 -11.036 -0.603 1.00 0.00 C ATOM 0 H VAL A 57 2.584 -11.745 1.463 1.00 0.00 H new ATOM 0 HA VAL A 57 3.714 -13.514 -0.613 1.00 0.00 H new ATOM 0 HB VAL A 57 2.347 -12.044 -2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.238 -13.244 -1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 57 1.654 -14.314 -1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.855 -13.695 -0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.420 -10.859 -1.194 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.040 -11.213 0.436 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.968 -10.163 -0.661 1.00 0.00 H new ATOM 928 N PRO A 58 5.100 -11.613 -1.779 1.00 0.00 N ATOM 929 CA PRO A 58 6.149 -10.670 -2.178 1.00 0.00 C ATOM 930 C PRO A 58 5.591 -9.301 -2.573 1.00 0.00 C ATOM 931 O PRO A 58 4.978 -9.146 -3.619 1.00 0.00 O ATOM 932 CB PRO A 58 6.798 -11.351 -3.382 1.00 0.00 C ATOM 933 CG PRO A 58 5.731 -12.222 -3.943 1.00 0.00 C ATOM 934 CD PRO A 58 4.930 -12.696 -2.771 1.00 0.00 C ATOM 0 HA PRO A 58 6.841 -10.465 -1.361 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.138 -10.619 -4.115 1.00 0.00 H new ATOM 0 HB3 PRO A 58 7.670 -11.934 -3.085 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.106 -11.671 -4.646 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.160 -13.063 -4.489 1.00 0.00 H new ATOM 0 HD2 PRO A 58 3.882 -12.840 -3.033 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.298 -13.649 -2.392 1.00 0.00 H new ATOM 942 N MET A 59 5.805 -8.313 -1.725 1.00 0.00 N ATOM 943 CA MET A 59 5.325 -6.956 -1.971 1.00 0.00 C ATOM 944 C MET A 59 6.185 -6.210 -2.985 1.00 0.00 C ATOM 945 O MET A 59 5.851 -5.112 -3.401 1.00 0.00 O ATOM 946 CB MET A 59 5.215 -6.174 -0.663 1.00 0.00 C ATOM 947 CG MET A 59 3.787 -6.042 -0.120 1.00 0.00 C ATOM 948 SD MET A 59 2.913 -7.620 0.048 1.00 0.00 S ATOM 949 CE MET A 59 2.165 -7.802 -1.573 1.00 0.00 C ATOM 0 H MET A 59 6.314 -8.422 -0.848 1.00 0.00 H new ATOM 0 HA MET A 59 4.330 -7.043 -2.407 1.00 0.00 H new ATOM 0 HB2 MET A 59 5.833 -6.662 0.091 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.626 -5.176 -0.815 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.823 -5.553 0.854 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.216 -5.391 -0.782 1.00 0.00 H new ATOM 0 HE1 MET A 59 1.235 -8.363 -1.484 1.00 0.00 H new ATOM 0 HE2 MET A 59 1.956 -6.817 -1.990 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.849 -8.337 -2.231 1.00 0.00 H new ATOM 959 N ASN A 60 7.311 -6.795 -3.359 1.00 0.00 N ATOM 960 CA ASN A 60 8.216 -6.165 -4.329 1.00 0.00 C ATOM 961 C ASN A 60 7.816 -6.522 -5.755 1.00 0.00 C ATOM 962 O ASN A 60 7.909 -5.697 -6.660 1.00 0.00 O ATOM 963 CB ASN A 60 9.675 -6.588 -4.083 1.00 0.00 C ATOM 964 CG ASN A 60 10.257 -6.056 -2.778 1.00 0.00 C ATOM 965 OD1 ASN A 60 9.414 -5.846 -1.783 1.00 0.00 O flip ATOM 966 ND2 ASN A 60 11.463 -5.837 -2.672 1.00 0.00 N flip ATOM 0 H ASN A 60 7.627 -7.701 -3.012 1.00 0.00 H new ATOM 0 HA ASN A 60 8.136 -5.086 -4.196 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.732 -7.676 -4.079 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.290 -6.240 -4.913 1.00 0.00 H new ATOM 0 HD21 ASN A 60 12.084 -6.011 -3.462 1.00 0.00 H new ATOM 0 HD22 ASN A 60 11.842 -5.481 -1.794 1.00 0.00 H new ATOM 973 N SER A 61 7.410 -7.780 -5.954 1.00 0.00 N ATOM 974 CA SER A 61 6.970 -8.272 -7.261 1.00 0.00 C ATOM 975 C SER A 61 5.838 -7.421 -7.868 1.00 0.00 C ATOM 976 O SER A 61 5.646 -7.406 -9.075 1.00 0.00 O ATOM 977 CB SER A 61 6.539 -9.730 -7.139 1.00 0.00 C ATOM 978 OG SER A 61 7.573 -10.514 -6.554 1.00 0.00 O ATOM 0 H SER A 61 7.378 -8.483 -5.216 1.00 0.00 H new ATOM 0 HA SER A 61 7.816 -8.192 -7.944 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.637 -9.798 -6.531 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.290 -10.124 -8.124 1.00 0.00 H new ATOM 0 HG SER A 61 7.277 -11.445 -6.483 1.00 0.00 H new ATOM 984 N LEU A 62 5.084 -6.734 -7.037 1.00 0.00 N ATOM 985 CA LEU A 62 4.027 -5.873 -7.511 1.00 0.00 C ATOM 986 C LEU A 62 4.171 -4.461 -6.944 1.00 0.00 C ATOM 987 O LEU A 62 4.944 -4.230 -6.020 1.00 0.00 O ATOM 988 CB LEU A 62 2.626 -6.465 -7.210 1.00 0.00 C ATOM 989 CG LEU A 62 2.397 -7.170 -5.849 1.00 0.00 C ATOM 990 CD1 LEU A 62 2.996 -8.565 -5.840 1.00 0.00 C ATOM 991 CD2 LEU A 62 2.923 -6.340 -4.685 1.00 0.00 C ATOM 0 H LEU A 62 5.186 -6.757 -6.022 1.00 0.00 H new ATOM 0 HA LEU A 62 4.120 -5.807 -8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.900 -5.656 -7.290 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.393 -7.181 -7.998 1.00 0.00 H new ATOM 0 HG LEU A 62 1.319 -7.268 -5.718 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.818 -9.031 -4.871 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.532 -9.165 -6.623 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.069 -8.501 -6.020 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.743 -6.870 -3.750 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.994 -6.177 -4.809 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.410 -5.379 -4.662 1.00 0.00 H new ATOM 1003 N ARG A 63 3.428 -3.514 -7.493 1.00 0.00 N ATOM 1004 CA ARG A 63 3.491 -2.146 -7.010 1.00 0.00 C ATOM 1005 C ARG A 63 2.115 -1.649 -6.603 1.00 0.00 C ATOM 1006 O ARG A 63 1.099 -2.225 -6.980 1.00 0.00 O ATOM 1007 CB ARG A 63 4.125 -1.195 -8.039 1.00 0.00 C ATOM 1008 CG ARG A 63 3.302 -0.934 -9.299 1.00 0.00 C ATOM 1009 CD ARG A 63 3.505 -1.992 -10.369 1.00 0.00 C ATOM 1010 NE ARG A 63 3.261 -1.432 -11.704 1.00 0.00 N ATOM 1011 CZ ARG A 63 2.746 -2.080 -12.749 1.00 0.00 C ATOM 1012 NH1 ARG A 63 2.400 -3.351 -12.649 1.00 0.00 N ATOM 1013 NH2 ARG A 63 2.601 -1.449 -13.903 1.00 0.00 N ATOM 0 H ARG A 63 2.780 -3.666 -8.266 1.00 0.00 H new ATOM 0 HA ARG A 63 4.135 -2.150 -6.131 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.320 -0.240 -7.551 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.091 -1.604 -8.337 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.246 -0.891 -9.034 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.569 0.042 -9.705 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.521 -2.383 -10.313 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.831 -2.830 -10.192 1.00 0.00 H new ATOM 0 HE ARG A 63 3.509 -0.453 -11.846 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.526 -3.846 -11.766 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.007 -3.837 -13.455 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.883 -0.472 -13.989 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.208 -1.939 -14.706 1.00 0.00 H new ATOM 1027 N PHE A 64 2.083 -0.559 -5.853 1.00 0.00 N ATOM 1028 CA PHE A 64 0.836 -0.022 -5.331 1.00 0.00 C ATOM 1029 C PHE A 64 0.490 1.296 -6.006 1.00 0.00 C ATOM 1030 O PHE A 64 1.185 2.306 -5.830 1.00 0.00 O ATOM 1031 CB PHE A 64 0.928 0.168 -3.810 1.00 0.00 C ATOM 1032 CG PHE A 64 1.042 -1.121 -3.025 1.00 0.00 C ATOM 1033 CD1 PHE A 64 2.158 -1.940 -3.157 1.00 0.00 C ATOM 1034 CD2 PHE A 64 0.042 -1.503 -2.148 1.00 0.00 C ATOM 1035 CE1 PHE A 64 2.266 -3.113 -2.435 1.00 0.00 C ATOM 1036 CE2 PHE A 64 0.148 -2.678 -1.424 1.00 0.00 C ATOM 1037 CZ PHE A 64 1.259 -3.482 -1.568 1.00 0.00 C ATOM 0 H PHE A 64 2.912 -0.026 -5.591 1.00 0.00 H new ATOM 0 HA PHE A 64 0.042 -0.737 -5.547 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.792 0.793 -3.586 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.045 0.710 -3.470 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.951 -1.655 -3.833 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.830 -0.878 -2.027 1.00 0.00 H new ATOM 0 HE1 PHE A 64 3.138 -3.740 -2.549 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.641 -2.966 -0.745 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.340 -4.399 -1.003 1.00 0.00 H new ATOM 1047 N LEU A 65 -0.575 1.289 -6.781 1.00 0.00 N ATOM 1048 CA LEU A 65 -1.010 2.471 -7.498 1.00 0.00 C ATOM 1049 C LEU A 65 -2.457 2.794 -7.156 1.00 0.00 C ATOM 1050 O LEU A 65 -3.319 1.927 -7.143 1.00 0.00 O ATOM 1051 CB LEU A 65 -0.865 2.275 -9.012 1.00 0.00 C ATOM 1052 CG LEU A 65 0.459 1.675 -9.500 1.00 0.00 C ATOM 1053 CD1 LEU A 65 0.452 1.520 -11.013 1.00 0.00 C ATOM 1054 CD2 LEU A 65 1.626 2.538 -9.070 1.00 0.00 C ATOM 0 H LEU A 65 -1.161 0.468 -6.932 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.376 3.304 -7.193 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.677 1.632 -9.352 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.000 3.242 -9.496 1.00 0.00 H new ATOM 0 HG LEU A 65 0.571 0.689 -9.050 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.400 1.093 -11.339 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.364 0.860 -11.307 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.315 2.496 -11.478 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.556 2.095 -9.426 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.515 3.537 -9.492 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.648 2.604 -7.982 1.00 0.00 H new ATOM 1066 N PHE A 66 -2.721 4.041 -6.882 1.00 0.00 N ATOM 1067 CA PHE A 66 -4.058 4.483 -6.544 1.00 0.00 C ATOM 1068 C PHE A 66 -4.720 5.092 -7.748 1.00 0.00 C ATOM 1069 O PHE A 66 -4.420 6.217 -8.112 1.00 0.00 O ATOM 1070 CB PHE A 66 -4.026 5.497 -5.395 1.00 0.00 C ATOM 1071 CG PHE A 66 -5.342 6.177 -5.140 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -6.529 5.464 -5.189 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -5.391 7.530 -4.861 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -7.733 6.084 -4.965 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -6.596 8.160 -4.634 1.00 0.00 C ATOM 1076 CZ PHE A 66 -7.769 7.435 -4.686 1.00 0.00 C ATOM 0 H PHE A 66 -2.022 4.783 -6.885 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.632 3.615 -6.219 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.710 4.988 -4.484 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.274 6.255 -5.614 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.507 4.406 -5.406 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.475 8.100 -4.820 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.650 5.516 -5.007 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.622 9.217 -4.416 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.715 7.925 -4.508 1.00 0.00 H new ATOM 1086 N GLU A 67 -5.610 4.331 -8.382 1.00 0.00 N ATOM 1087 CA GLU A 67 -6.351 4.774 -9.578 1.00 0.00 C ATOM 1088 C GLU A 67 -5.427 5.447 -10.619 1.00 0.00 C ATOM 1089 O GLU A 67 -5.855 6.310 -11.393 1.00 0.00 O ATOM 1090 CB GLU A 67 -7.534 5.701 -9.193 1.00 0.00 C ATOM 1091 CG GLU A 67 -7.139 7.082 -8.675 1.00 0.00 C ATOM 1092 CD GLU A 67 -8.306 8.041 -8.650 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -8.564 8.684 -9.685 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -8.983 8.148 -7.605 1.00 0.00 O ATOM 0 H GLU A 67 -5.844 3.384 -8.085 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.763 3.881 -10.048 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.174 5.828 -10.066 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.132 5.202 -8.430 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.729 6.987 -7.670 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.349 7.491 -9.304 1.00 0.00 H new ATOM 1101 N GLY A 68 -4.172 5.005 -10.672 1.00 0.00 N ATOM 1102 CA GLY A 68 -3.209 5.585 -11.593 1.00 0.00 C ATOM 1103 C GLY A 68 -2.172 6.469 -10.900 1.00 0.00 C ATOM 1104 O GLY A 68 -1.329 7.075 -11.552 1.00 0.00 O ATOM 0 H GLY A 68 -3.804 4.252 -10.090 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.697 4.784 -12.125 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.740 6.175 -12.340 1.00 0.00 H new ATOM 1108 N GLN A 69 -2.232 6.537 -9.579 1.00 0.00 N ATOM 1109 CA GLN A 69 -1.271 7.299 -8.785 1.00 0.00 C ATOM 1110 C GLN A 69 -0.218 6.367 -8.278 1.00 0.00 C ATOM 1111 O GLN A 69 -0.535 5.340 -7.713 1.00 0.00 O ATOM 1112 CB GLN A 69 -1.963 7.938 -7.590 1.00 0.00 C ATOM 1113 CG GLN A 69 -2.814 9.140 -7.914 1.00 0.00 C ATOM 1114 CD GLN A 69 -1.999 10.338 -8.370 1.00 0.00 C ATOM 1115 OE1 GLN A 69 -0.742 10.408 -7.948 1.00 0.00 O flip ATOM 1116 NE2 GLN A 69 -2.483 11.179 -9.121 1.00 0.00 N flip ATOM 0 H GLN A 69 -2.947 6.067 -9.024 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.833 8.078 -9.409 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.589 7.187 -7.108 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.204 8.233 -6.865 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.527 8.874 -8.695 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.394 9.416 -7.033 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.453 11.093 -9.425 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.916 11.964 -9.441 1.00 0.00 H new ATOM 1125 N ARG A 70 1.028 6.681 -8.471 1.00 0.00 N ATOM 1126 CA ARG A 70 2.066 5.802 -8.013 1.00 0.00 C ATOM 1127 C ARG A 70 2.497 6.104 -6.587 1.00 0.00 C ATOM 1128 O ARG A 70 2.926 7.217 -6.249 1.00 0.00 O ATOM 1129 CB ARG A 70 3.244 5.820 -8.965 1.00 0.00 C ATOM 1130 CG ARG A 70 3.929 7.156 -9.096 1.00 0.00 C ATOM 1131 CD ARG A 70 5.017 7.086 -10.130 1.00 0.00 C ATOM 1132 NE ARG A 70 5.694 8.374 -10.298 1.00 0.00 N ATOM 1133 CZ ARG A 70 7.020 8.532 -10.323 1.00 0.00 C ATOM 1134 NH1 ARG A 70 7.824 7.487 -10.186 1.00 0.00 N ATOM 1135 NH2 ARG A 70 7.539 9.740 -10.490 1.00 0.00 N ATOM 0 H ARG A 70 1.350 7.529 -8.937 1.00 0.00 H new ATOM 0 HA ARG A 70 1.652 4.794 -8.001 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.975 5.084 -8.631 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.902 5.505 -9.951 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.202 7.919 -9.374 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.350 7.452 -8.135 1.00 0.00 H new ATOM 0 HD2 ARG A 70 5.745 6.328 -9.840 1.00 0.00 H new ATOM 0 HD3 ARG A 70 4.592 6.772 -11.083 1.00 0.00 H new ATOM 0 HE ARG A 70 5.114 9.206 -10.403 1.00 0.00 H new ATOM 0 HH11 ARG A 70 7.431 6.554 -10.060 1.00 0.00 H new ATOM 0 HH12 ARG A 70 8.836 7.616 -10.206 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.926 10.548 -10.599 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.552 9.862 -10.509 1.00 0.00 H new ATOM 1149 N ILE A 71 2.349 5.118 -5.742 1.00 0.00 N ATOM 1150 CA ILE A 71 2.749 5.226 -4.363 1.00 0.00 C ATOM 1151 C ILE A 71 4.023 4.422 -4.134 1.00 0.00 C ATOM 1152 O ILE A 71 3.976 3.206 -3.895 1.00 0.00 O ATOM 1153 CB ILE A 71 1.640 4.717 -3.386 1.00 0.00 C ATOM 1154 CG1 ILE A 71 0.385 5.617 -3.426 1.00 0.00 C ATOM 1155 CG2 ILE A 71 2.180 4.631 -1.961 1.00 0.00 C ATOM 1156 CD1 ILE A 71 -0.460 5.484 -4.679 1.00 0.00 C ATOM 0 H ILE A 71 1.946 4.214 -5.991 1.00 0.00 H new ATOM 0 HA ILE A 71 2.921 6.282 -4.155 1.00 0.00 H new ATOM 0 HB ILE A 71 1.347 3.721 -3.717 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.237 5.387 -2.561 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.698 6.656 -3.326 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.394 4.275 -1.295 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.021 3.939 -1.932 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.511 5.618 -1.637 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.317 6.155 -4.613 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.139 5.745 -5.551 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.810 4.456 -4.774 1.00 0.00 H new ATOM 1168 N ALA A 72 5.172 5.069 -4.222 1.00 0.00 N ATOM 1169 CA ALA A 72 6.407 4.354 -4.016 1.00 0.00 C ATOM 1170 C ALA A 72 6.885 4.497 -2.579 1.00 0.00 C ATOM 1171 O ALA A 72 7.840 5.208 -2.288 1.00 0.00 O ATOM 1172 CB ALA A 72 7.471 4.827 -4.996 1.00 0.00 C ATOM 0 H ALA A 72 5.270 6.063 -4.430 1.00 0.00 H new ATOM 0 HA ALA A 72 6.223 3.296 -4.201 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.395 4.275 -4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.129 4.653 -6.016 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.652 5.892 -4.851 1.00 0.00 H new ATOM 1178 N ASP A 73 6.196 3.791 -1.689 1.00 0.00 N ATOM 1179 CA ASP A 73 6.526 3.698 -0.254 1.00 0.00 C ATOM 1180 C ASP A 73 6.865 5.035 0.417 1.00 0.00 C ATOM 1181 O ASP A 73 7.603 5.079 1.393 1.00 0.00 O ATOM 1182 CB ASP A 73 7.635 2.677 -0.049 1.00 0.00 C ATOM 1183 CG ASP A 73 7.169 1.309 -0.463 1.00 0.00 C ATOM 1184 OD1 ASP A 73 6.453 0.667 0.320 1.00 0.00 O ATOM 1185 OD2 ASP A 73 7.438 0.903 -1.602 1.00 0.00 O ATOM 0 H ASP A 73 5.369 3.250 -1.943 1.00 0.00 H new ATOM 0 HA ASP A 73 5.616 3.368 0.248 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.512 2.961 -0.631 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.937 2.664 0.998 1.00 0.00 H new ATOM 1190 N ASN A 74 6.283 6.120 -0.070 1.00 0.00 N ATOM 1191 CA ASN A 74 6.518 7.434 0.530 1.00 0.00 C ATOM 1192 C ASN A 74 5.304 8.331 0.367 1.00 0.00 C ATOM 1193 O ASN A 74 5.103 9.264 1.137 1.00 0.00 O ATOM 1194 CB ASN A 74 7.766 8.132 -0.052 1.00 0.00 C ATOM 1195 CG ASN A 74 7.578 8.629 -1.477 1.00 0.00 C ATOM 1196 OD1 ASN A 74 7.054 9.719 -1.709 1.00 0.00 O ATOM 1197 ND2 ASN A 74 8.010 7.850 -2.433 1.00 0.00 N ATOM 0 H ASN A 74 5.650 6.123 -0.870 1.00 0.00 H new ATOM 0 HA ASN A 74 6.698 7.262 1.591 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.031 8.975 0.586 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.605 7.437 -0.026 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.918 8.139 -3.407 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.439 6.953 -2.205 1.00 0.00 H new ATOM 1204 N HIS A 75 4.488 8.049 -0.649 1.00 0.00 N ATOM 1205 CA HIS A 75 3.295 8.829 -0.905 1.00 0.00 C ATOM 1206 C HIS A 75 2.352 8.758 0.283 1.00 0.00 C ATOM 1207 O HIS A 75 2.279 7.741 0.977 1.00 0.00 O ATOM 1208 CB HIS A 75 2.592 8.337 -2.167 1.00 0.00 C ATOM 1209 CG HIS A 75 2.249 9.434 -3.123 1.00 0.00 C ATOM 1210 ND1 HIS A 75 2.541 9.386 -4.469 1.00 0.00 N ATOM 1211 CD2 HIS A 75 1.641 10.622 -2.918 1.00 0.00 C ATOM 1212 CE1 HIS A 75 2.130 10.496 -5.043 1.00 0.00 C ATOM 1213 NE2 HIS A 75 1.581 11.261 -4.125 1.00 0.00 N ATOM 0 H HIS A 75 4.639 7.283 -1.305 1.00 0.00 H new ATOM 0 HA HIS A 75 3.590 9.867 -1.056 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.232 7.613 -2.671 1.00 0.00 H new ATOM 0 HB3 HIS A 75 1.679 7.813 -1.884 1.00 0.00 H new ATOM 0 HD1 HIS A 75 3.003 8.611 -4.945 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.271 10.998 -1.976 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.227 10.738 -6.091 1.00 0.00 H new ATOM 1222 N THR A 76 1.636 9.831 0.518 1.00 0.00 N ATOM 1223 CA THR A 76 0.745 9.922 1.647 1.00 0.00 C ATOM 1224 C THR A 76 -0.708 9.959 1.189 1.00 0.00 C ATOM 1225 O THR A 76 -1.002 10.396 0.072 1.00 0.00 O ATOM 1226 CB THR A 76 1.056 11.185 2.471 1.00 0.00 C ATOM 1227 OG1 THR A 76 0.969 12.337 1.634 1.00 0.00 O ATOM 1228 CG2 THR A 76 2.451 11.107 3.068 1.00 0.00 C ATOM 0 H THR A 76 1.655 10.665 -0.069 1.00 0.00 H new ATOM 0 HA THR A 76 0.896 9.039 2.267 1.00 0.00 H new ATOM 0 HB THR A 76 0.329 11.256 3.280 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.794 12.426 1.113 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.650 12.009 3.646 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.520 10.236 3.720 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.185 11.020 2.267 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.641 9.521 2.053 1.00 0.00 N ATOM 1237 CA PRO A 77 -3.074 9.484 1.726 1.00 0.00 C ATOM 1238 C PRO A 77 -3.649 10.879 1.533 1.00 0.00 C ATOM 1239 O PRO A 77 -4.625 11.075 0.809 1.00 0.00 O ATOM 1240 CB PRO A 77 -3.705 8.816 2.958 1.00 0.00 C ATOM 1241 CG PRO A 77 -2.731 9.054 4.060 1.00 0.00 C ATOM 1242 CD PRO A 77 -1.376 9.032 3.420 1.00 0.00 C ATOM 0 HA PRO A 77 -3.268 8.956 0.792 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.678 9.250 3.189 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.863 7.750 2.793 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.918 10.011 4.547 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.813 8.284 4.828 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.671 9.674 3.948 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.950 8.029 3.413 1.00 0.00 H new ATOM 1250 N LYS A 78 -3.011 11.852 2.156 1.00 0.00 N ATOM 1251 CA LYS A 78 -3.459 13.228 2.107 1.00 0.00 C ATOM 1252 C LYS A 78 -3.040 13.869 0.794 1.00 0.00 C ATOM 1253 O LYS A 78 -3.735 14.712 0.243 1.00 0.00 O ATOM 1254 CB LYS A 78 -2.870 14.001 3.299 1.00 0.00 C ATOM 1255 CG LYS A 78 -1.344 14.084 3.288 1.00 0.00 C ATOM 1256 CD LYS A 78 -0.872 15.413 2.738 1.00 0.00 C ATOM 1257 CE LYS A 78 0.626 15.433 2.535 1.00 0.00 C ATOM 1258 NZ LYS A 78 1.073 16.672 1.840 1.00 0.00 N ATOM 0 H LYS A 78 -2.167 11.709 2.710 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.547 13.257 2.169 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -3.279 15.011 3.303 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.192 13.523 4.224 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.963 13.950 4.300 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.937 13.273 2.684 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -1.371 15.612 1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.157 16.212 3.422 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.125 15.358 3.501 1.00 0.00 H new ATOM 0 HE3 LYS A 78 0.926 14.561 1.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 1.994 16.970 2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.163 16.485 0.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.374 17.427 1.993 1.00 0.00 H new ATOM 1272 N GLU A 79 -1.902 13.435 0.285 1.00 0.00 N ATOM 1273 CA GLU A 79 -1.354 13.971 -0.935 1.00 0.00 C ATOM 1274 C GLU A 79 -2.110 13.409 -2.125 1.00 0.00 C ATOM 1275 O GLU A 79 -2.280 14.066 -3.152 1.00 0.00 O ATOM 1276 CB GLU A 79 0.116 13.590 -1.035 1.00 0.00 C ATOM 1277 CG GLU A 79 0.890 14.357 -2.082 1.00 0.00 C ATOM 1278 CD GLU A 79 1.352 15.713 -1.580 1.00 0.00 C ATOM 1279 OE1 GLU A 79 0.593 16.373 -0.837 1.00 0.00 O ATOM 1280 OE2 GLU A 79 2.481 16.120 -1.915 1.00 0.00 O ATOM 0 H GLU A 79 -1.336 12.701 0.710 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.450 15.057 -0.932 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.587 13.748 -0.065 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.189 12.525 -1.255 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.756 13.772 -2.391 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.266 14.493 -2.965 1.00 0.00 H new ATOM 1287 N LEU A 80 -2.566 12.178 -1.977 1.00 0.00 N ATOM 1288 CA LEU A 80 -3.304 11.492 -3.022 1.00 0.00 C ATOM 1289 C LEU A 80 -4.747 11.976 -3.075 1.00 0.00 C ATOM 1290 O LEU A 80 -5.471 11.706 -4.032 1.00 0.00 O ATOM 1291 CB LEU A 80 -3.277 9.997 -2.754 1.00 0.00 C ATOM 1292 CG LEU A 80 -1.892 9.362 -2.721 1.00 0.00 C ATOM 1293 CD1 LEU A 80 -1.949 8.027 -2.011 1.00 0.00 C ATOM 1294 CD2 LEU A 80 -1.356 9.187 -4.133 1.00 0.00 C ATOM 0 H LEU A 80 -2.435 11.626 -1.129 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.835 11.708 -3.982 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.767 9.808 -1.799 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.869 9.497 -3.521 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.218 10.021 -2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.954 7.582 -1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.300 8.173 -0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.634 7.363 -2.539 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.366 8.732 -4.093 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.028 8.543 -4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.289 10.160 -4.620 1.00 0.00 H new ATOM 1306 N GLY A 81 -5.175 12.692 -2.036 1.00 0.00 N ATOM 1307 CA GLY A 81 -6.521 13.222 -2.028 1.00 0.00 C ATOM 1308 C GLY A 81 -7.582 12.178 -1.711 1.00 0.00 C ATOM 1309 O GLY A 81 -8.756 12.383 -2.002 1.00 0.00 O ATOM 0 H GLY A 81 -4.617 12.910 -1.210 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.582 14.026 -1.294 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.735 13.663 -3.002 1.00 0.00 H new ATOM 1313 N MET A 82 -7.190 11.051 -1.131 1.00 0.00 N ATOM 1314 CA MET A 82 -8.150 9.976 -0.874 1.00 0.00 C ATOM 1315 C MET A 82 -8.672 10.028 0.567 1.00 0.00 C ATOM 1316 O MET A 82 -8.151 10.774 1.402 1.00 0.00 O ATOM 1317 CB MET A 82 -7.532 8.606 -1.187 1.00 0.00 C ATOM 1318 CG MET A 82 -6.432 8.161 -0.239 1.00 0.00 C ATOM 1319 SD MET A 82 -5.677 6.608 -0.765 1.00 0.00 S ATOM 1320 CE MET A 82 -4.639 6.222 0.635 1.00 0.00 C ATOM 0 H MET A 82 -6.234 10.855 -0.833 1.00 0.00 H new ATOM 0 HA MET A 82 -9.001 10.123 -1.538 1.00 0.00 H new ATOM 0 HB2 MET A 82 -8.324 7.857 -1.176 1.00 0.00 H new ATOM 0 HB3 MET A 82 -7.129 8.630 -2.200 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.667 8.935 -0.182 1.00 0.00 H new ATOM 0 HG3 MET A 82 -6.843 8.044 0.764 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.439 5.151 0.655 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.698 6.766 0.551 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.146 6.514 1.555 1.00 0.00 H new ATOM 1330 N GLU A 83 -9.714 9.253 0.859 1.00 0.00 N ATOM 1331 CA GLU A 83 -10.312 9.231 2.197 1.00 0.00 C ATOM 1332 C GLU A 83 -10.495 7.798 2.693 1.00 0.00 C ATOM 1333 O GLU A 83 -9.957 6.872 2.113 1.00 0.00 O ATOM 1334 CB GLU A 83 -11.650 9.999 2.235 1.00 0.00 C ATOM 1335 CG GLU A 83 -12.636 9.637 1.132 1.00 0.00 C ATOM 1336 CD GLU A 83 -12.313 10.301 -0.194 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -12.001 11.514 -0.197 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -12.387 9.625 -1.237 1.00 0.00 O ATOM 0 H GLU A 83 -10.164 8.630 0.188 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.621 9.739 2.870 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -12.126 9.820 3.199 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -11.440 11.067 2.176 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.642 8.555 0.998 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.641 9.926 1.441 1.00 0.00 H new ATOM 1345 N GLU A 84 -11.252 7.617 3.781 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.447 6.288 4.365 1.00 0.00 C ATOM 1347 C GLU A 84 -12.190 5.352 3.411 1.00 0.00 C ATOM 1348 O GLU A 84 -12.842 5.799 2.459 1.00 0.00 O ATOM 1349 CB GLU A 84 -12.193 6.369 5.704 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.655 6.777 5.590 1.00 0.00 C ATOM 1351 CD GLU A 84 -14.398 6.652 6.905 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -14.206 5.639 7.613 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -15.194 7.549 7.232 1.00 0.00 O ATOM 0 H GLU A 84 -11.736 8.369 4.271 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.454 5.876 4.543 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -12.138 5.398 6.195 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -11.679 7.082 6.349 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.715 7.807 5.239 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.144 6.156 4.840 1.00 0.00 H new ATOM 1360 N GLU A 85 -12.090 4.043 3.686 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.718 2.996 2.879 1.00 0.00 C ATOM 1362 C GLU A 85 -12.270 3.109 1.419 1.00 0.00 C ATOM 1363 O GLU A 85 -12.993 2.726 0.496 1.00 0.00 O ATOM 1364 CB GLU A 85 -14.252 3.092 2.986 1.00 0.00 C ATOM 1365 CG GLU A 85 -15.002 1.830 2.562 1.00 0.00 C ATOM 1366 CD GLU A 85 -14.784 0.668 3.509 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -13.810 -0.087 3.323 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -15.596 0.496 4.448 1.00 0.00 O ATOM 0 H GLU A 85 -11.565 3.682 4.483 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.405 2.023 3.259 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.517 3.326 4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.594 3.925 2.372 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.068 2.049 2.504 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.681 1.542 1.561 1.00 0.00 H new ATOM 1375 N ASP A 86 -11.063 3.626 1.204 1.00 0.00 N ATOM 1376 CA ASP A 86 -10.570 3.820 -0.145 1.00 0.00 C ATOM 1377 C ASP A 86 -10.004 2.539 -0.718 1.00 0.00 C ATOM 1378 O ASP A 86 -9.783 1.562 0.006 1.00 0.00 O ATOM 1379 CB ASP A 86 -9.528 4.918 -0.193 1.00 0.00 C ATOM 1380 CG ASP A 86 -9.723 5.806 -1.398 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -9.493 5.337 -2.523 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -10.155 6.974 -1.222 1.00 0.00 O ATOM 0 H ASP A 86 -10.419 3.913 1.941 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.420 4.121 -0.758 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.585 5.517 0.716 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.532 4.476 -0.221 1.00 0.00 H new ATOM 1387 N VAL A 87 -9.759 2.536 -2.014 1.00 0.00 N ATOM 1388 CA VAL A 87 -9.258 1.361 -2.683 1.00 0.00 C ATOM 1389 C VAL A 87 -7.991 1.660 -3.484 1.00 0.00 C ATOM 1390 O VAL A 87 -7.946 2.564 -4.315 1.00 0.00 O ATOM 1391 CB VAL A 87 -10.340 0.711 -3.598 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -10.843 1.694 -4.651 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -9.807 -0.558 -4.254 1.00 0.00 C ATOM 0 H VAL A 87 -9.901 3.341 -2.624 1.00 0.00 H new ATOM 0 HA VAL A 87 -9.002 0.645 -1.902 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.186 0.440 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.596 1.209 -5.272 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.283 2.561 -4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.010 2.015 -5.276 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.580 -0.993 -4.887 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -8.935 -0.315 -4.861 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.524 -1.275 -3.483 1.00 0.00 H new ATOM 1403 N ILE A 88 -6.960 0.892 -3.216 1.00 0.00 N ATOM 1404 CA ILE A 88 -5.708 1.018 -3.919 1.00 0.00 C ATOM 1405 C ILE A 88 -5.529 -0.199 -4.800 1.00 0.00 C ATOM 1406 O ILE A 88 -5.973 -1.303 -4.453 1.00 0.00 O ATOM 1407 CB ILE A 88 -4.502 1.139 -2.957 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -4.747 2.228 -1.898 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -3.222 1.425 -3.736 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -4.847 3.626 -2.460 1.00 0.00 C ATOM 0 H ILE A 88 -6.968 0.162 -2.503 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.741 1.932 -4.511 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.386 0.187 -2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.668 1.997 -1.362 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.937 2.199 -1.169 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.385 1.507 -3.043 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.034 0.612 -4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.331 2.360 -4.285 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.020 4.333 -1.648 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -3.918 3.880 -2.971 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.675 3.676 -3.167 1.00 0.00 H new ATOM 1422 N GLU A 89 -4.883 -0.023 -5.920 1.00 0.00 N ATOM 1423 CA GLU A 89 -4.727 -1.087 -6.869 1.00 0.00 C ATOM 1424 C GLU A 89 -3.288 -1.545 -6.923 1.00 0.00 C ATOM 1425 O GLU A 89 -2.366 -0.748 -7.068 1.00 0.00 O ATOM 1426 CB GLU A 89 -5.186 -0.621 -8.231 1.00 0.00 C ATOM 1427 CG GLU A 89 -6.474 0.171 -8.180 1.00 0.00 C ATOM 1428 CD GLU A 89 -7.013 0.478 -9.555 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -7.259 -0.477 -10.332 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -7.195 1.668 -9.870 1.00 0.00 O ATOM 0 H GLU A 89 -4.452 0.859 -6.198 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.339 -1.934 -6.557 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.406 -0.007 -8.681 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -5.324 -1.487 -8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.220 -0.389 -7.617 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.303 1.104 -7.643 1.00 0.00 H new ATOM 1437 N VAL A 90 -3.093 -2.823 -6.803 1.00 0.00 N ATOM 1438 CA VAL A 90 -1.775 -3.384 -6.825 1.00 0.00 C ATOM 1439 C VAL A 90 -1.555 -4.126 -8.125 1.00 0.00 C ATOM 1440 O VAL A 90 -2.253 -5.096 -8.434 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.542 -4.330 -5.626 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.159 -4.936 -5.677 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -1.746 -3.592 -4.317 1.00 0.00 C ATOM 0 H VAL A 90 -3.841 -3.506 -6.687 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.058 -2.567 -6.747 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.271 -5.138 -5.688 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.020 -5.598 -4.822 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -0.045 -5.506 -6.599 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.587 -4.142 -5.646 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.578 -4.275 -3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.042 -2.762 -4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.765 -3.208 -4.271 1.00 0.00 H new ATOM 1453 N TYR A 91 -0.602 -3.661 -8.894 1.00 0.00 N ATOM 1454 CA TYR A 91 -0.319 -4.233 -10.192 1.00 0.00 C ATOM 1455 C TYR A 91 0.984 -4.995 -10.166 1.00 0.00 C ATOM 1456 O TYR A 91 1.958 -4.551 -9.567 1.00 0.00 O ATOM 1457 CB TYR A 91 -0.244 -3.135 -11.229 1.00 0.00 C ATOM 1458 CG TYR A 91 -1.518 -2.353 -11.391 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -2.521 -2.779 -12.246 1.00 0.00 C ATOM 1460 CD2 TYR A 91 -1.710 -1.175 -10.691 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -3.683 -2.047 -12.397 1.00 0.00 C ATOM 1462 CE2 TYR A 91 -2.863 -0.438 -10.839 1.00 0.00 C ATOM 1463 CZ TYR A 91 -3.845 -0.877 -11.692 1.00 0.00 C ATOM 1464 OH TYR A 91 -4.991 -0.131 -11.850 1.00 0.00 O ATOM 0 H TYR A 91 -0.000 -2.877 -8.641 1.00 0.00 H new ATOM 0 HA TYR A 91 -1.122 -4.924 -10.448 1.00 0.00 H new ATOM 0 HB2 TYR A 91 0.558 -2.449 -10.958 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.024 -3.575 -12.190 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -2.393 -3.696 -12.802 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -0.941 -0.828 -10.016 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -4.459 -2.391 -13.064 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -2.994 0.481 -10.287 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.711 -0.518 -11.309 1.00 0.00 H new ATOM 1474 N GLN A 92 1.022 -6.116 -10.844 1.00 0.00 N ATOM 1475 CA GLN A 92 2.201 -6.955 -10.859 1.00 0.00 C ATOM 1476 C GLN A 92 3.249 -6.400 -11.821 1.00 0.00 C ATOM 1477 O GLN A 92 3.003 -6.246 -13.019 1.00 0.00 O ATOM 1478 CB GLN A 92 1.817 -8.389 -11.239 1.00 0.00 C ATOM 1479 CG GLN A 92 2.749 -9.468 -10.692 1.00 0.00 C ATOM 1480 CD GLN A 92 4.136 -9.450 -11.303 1.00 0.00 C ATOM 1481 OE1 GLN A 92 4.319 -9.075 -12.460 1.00 0.00 O ATOM 1482 NE2 GLN A 92 5.114 -9.865 -10.537 1.00 0.00 N ATOM 0 H GLN A 92 0.244 -6.473 -11.398 1.00 0.00 H new ATOM 0 HA GLN A 92 2.637 -6.964 -9.860 1.00 0.00 H new ATOM 0 HB2 GLN A 92 0.806 -8.586 -10.882 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.792 -8.467 -12.326 1.00 0.00 H new ATOM 0 HG2 GLN A 92 2.837 -9.345 -9.613 1.00 0.00 H new ATOM 0 HG3 GLN A 92 2.299 -10.445 -10.866 1.00 0.00 H new ATOM 0 HE21 GLN A 92 4.921 -10.168 -9.582 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.069 -9.885 -10.895 1.00 0.00 H new ATOM 1491 N GLU A 93 4.405 -6.085 -11.278 1.00 0.00 N ATOM 1492 CA GLU A 93 5.537 -5.589 -12.033 1.00 0.00 C ATOM 1493 C GLU A 93 6.759 -5.620 -11.158 1.00 0.00 C ATOM 1494 O GLU A 93 6.908 -4.808 -10.245 1.00 0.00 O ATOM 1495 CB GLU A 93 5.295 -4.181 -12.569 1.00 0.00 C ATOM 1496 CG GLU A 93 6.538 -3.510 -13.141 1.00 0.00 C ATOM 1497 CD GLU A 93 6.319 -2.054 -13.503 1.00 0.00 C ATOM 1498 OE1 GLU A 93 6.455 -1.191 -12.609 1.00 0.00 O ATOM 1499 OE2 GLU A 93 6.030 -1.766 -14.679 1.00 0.00 O ATOM 0 H GLU A 93 4.589 -6.168 -10.278 1.00 0.00 H new ATOM 0 HA GLU A 93 5.684 -6.234 -12.900 1.00 0.00 H new ATOM 0 HB2 GLU A 93 4.530 -4.226 -13.344 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.898 -3.561 -11.765 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.347 -3.579 -12.414 1.00 0.00 H new ATOM 0 HG3 GLU A 93 6.860 -4.054 -14.029 1.00 0.00 H new