USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 454 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 23 ASN : amide:sc= -2.69! C(o=-3.3!,f=-4.1!) USER MOD Set 1.2: A 33 THR OG1 : rot -130:sc= -0.566 USER MOD Single : A 19 THR OG1 : rot 170:sc= -2.48! USER MOD Single : A 21 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0373) USER MOD Single : A 28 ASN : amide:sc= -3.42 K(o=-3.4,f=-16!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 159:sc= -0.923! (180deg=-2.23!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0926 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -1.6! USER MOD Single : A 45 SER OG : rot 180:sc= -0.127 USER MOD Single : A 48 TYR OH : rot -111:sc= -0.667 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.00903 USER MOD Single : A 55 LYS NZ :NH3+ -146:sc= -0.6 (180deg=-2.76!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -5.89 K(o=-5.9,f=-5!) USER MOD Single : A 61 TYR OH : rot 20:sc= 0.888 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -137:sc= -0.288 (180deg=-1.84) USER MOD Single : A 70 TYR OH : rot 53:sc= -5.22! USER MOD Single : A 71 THR OG1 : rot 128:sc= 0.31 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 75 LYS NZ :NH3+ -155:sc= -0.258 (180deg=-1.23) USER MOD ----------------------------------------------------------------- ATOM 252 N VAL A 18 -21.012 -3.199 -3.598 1.00 0.00 N ATOM 253 CA VAL A 18 -20.254 -2.108 -2.934 1.00 0.00 C ATOM 254 C VAL A 18 -18.826 -2.615 -2.737 1.00 0.00 C ATOM 255 O VAL A 18 -18.277 -2.637 -1.655 1.00 0.00 O ATOM 256 CB VAL A 18 -20.952 -1.753 -1.608 1.00 0.00 C ATOM 257 CG1 VAL A 18 -21.577 -3.010 -1.011 1.00 0.00 C ATOM 258 CG2 VAL A 18 -19.983 -1.162 -0.579 1.00 0.00 C ATOM 0 HA VAL A 18 -20.222 -1.194 -3.527 1.00 0.00 H new ATOM 0 HB VAL A 18 -21.710 -1.003 -1.834 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -22.071 -2.760 -0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -22.308 -3.419 -1.708 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -20.799 -3.750 -0.825 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -20.524 -0.929 0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -19.197 -1.885 -0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -19.538 -0.251 -0.980 1.00 0.00 H new ATOM 268 N THR A 19 -18.235 -3.053 -3.813 1.00 0.00 N ATOM 269 CA THR A 19 -16.855 -3.593 -3.757 1.00 0.00 C ATOM 270 C THR A 19 -15.858 -2.491 -4.100 1.00 0.00 C ATOM 271 O THR A 19 -15.638 -2.186 -5.256 1.00 0.00 O ATOM 272 CB THR A 19 -16.729 -4.722 -4.779 1.00 0.00 C ATOM 273 OG1 THR A 19 -17.496 -5.838 -4.352 1.00 0.00 O ATOM 274 CG2 THR A 19 -15.263 -5.130 -4.921 1.00 0.00 C ATOM 0 H THR A 19 -18.659 -3.058 -4.741 1.00 0.00 H new ATOM 0 HA THR A 19 -16.646 -3.967 -2.755 1.00 0.00 H new ATOM 0 HB THR A 19 -17.100 -4.376 -5.744 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.547 -6.496 -5.076 1.00 0.00 H new ATOM 0 HG21 THR A 19 -15.178 -5.935 -5.651 1.00 0.00 H new ATOM 0 HG22 THR A 19 -14.678 -4.274 -5.256 1.00 0.00 H new ATOM 0 HG23 THR A 19 -14.886 -5.473 -3.957 1.00 0.00 H new ATOM 282 N ILE A 20 -15.235 -1.900 -3.117 1.00 0.00 N ATOM 283 CA ILE A 20 -14.243 -0.839 -3.426 1.00 0.00 C ATOM 284 C ILE A 20 -12.989 -1.531 -3.961 1.00 0.00 C ATOM 285 O ILE A 20 -12.433 -2.406 -3.325 1.00 0.00 O ATOM 286 CB ILE A 20 -13.940 -0.010 -2.158 1.00 0.00 C ATOM 287 CG1 ILE A 20 -13.502 1.398 -2.560 1.00 0.00 C ATOM 288 CG2 ILE A 20 -12.825 -0.647 -1.334 1.00 0.00 C ATOM 289 CD1 ILE A 20 -14.449 2.420 -1.932 1.00 0.00 C ATOM 0 H ILE A 20 -15.369 -2.104 -2.127 1.00 0.00 H new ATOM 0 HA ILE A 20 -14.627 -0.145 -4.174 1.00 0.00 H new ATOM 0 HB ILE A 20 -14.848 0.026 -1.557 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.480 1.581 -2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.509 1.497 -3.645 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -12.635 -0.040 -0.449 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -13.125 -1.650 -1.029 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -11.917 -0.707 -1.935 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -14.140 3.426 -2.217 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.465 2.239 -2.284 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -14.419 2.325 -0.847 1.00 0.00 H new ATOM 301 N LYS A 21 -12.557 -1.184 -5.139 1.00 0.00 N ATOM 302 CA LYS A 21 -11.363 -1.867 -5.705 1.00 0.00 C ATOM 303 C LYS A 21 -10.139 -0.956 -5.644 1.00 0.00 C ATOM 304 O LYS A 21 -9.982 -0.055 -6.443 1.00 0.00 O ATOM 305 CB LYS A 21 -11.630 -2.249 -7.159 1.00 0.00 C ATOM 306 CG LYS A 21 -10.600 -3.288 -7.601 1.00 0.00 C ATOM 307 CD LYS A 21 -10.195 -3.022 -9.053 1.00 0.00 C ATOM 308 CE LYS A 21 -9.652 -4.309 -9.677 1.00 0.00 C ATOM 309 NZ LYS A 21 -10.790 -5.180 -10.088 1.00 0.00 N ATOM 0 H LYS A 21 -12.974 -0.464 -5.730 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.167 -2.762 -5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.638 -2.651 -7.263 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.571 -1.367 -7.796 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.724 -3.244 -6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.016 -4.291 -7.507 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.054 -2.664 -9.621 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.438 -2.239 -9.093 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.030 -4.073 -10.541 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.018 -4.833 -8.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -10.432 -5.971 -10.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.265 -5.553 -9.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -11.467 -4.625 -10.649 1.00 0.00 H new ATOM 323 N ALA A 22 -9.256 -1.204 -4.720 1.00 0.00 N ATOM 324 CA ALA A 22 -8.029 -0.372 -4.632 1.00 0.00 C ATOM 325 C ALA A 22 -6.972 -0.975 -5.552 1.00 0.00 C ATOM 326 O ALA A 22 -7.224 -1.934 -6.255 1.00 0.00 O ATOM 327 CB ALA A 22 -7.512 -0.363 -3.194 1.00 0.00 C ATOM 0 H ALA A 22 -9.331 -1.946 -4.024 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.250 0.652 -4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.612 0.249 -3.135 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.276 0.051 -2.535 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.279 -1.382 -2.885 1.00 0.00 H new ATOM 333 N ASN A 23 -5.792 -0.431 -5.560 1.00 0.00 N ATOM 334 CA ASN A 23 -4.735 -0.989 -6.442 1.00 0.00 C ATOM 335 C ASN A 23 -3.346 -0.667 -5.891 1.00 0.00 C ATOM 336 O ASN A 23 -3.190 0.133 -4.990 1.00 0.00 O ATOM 337 CB ASN A 23 -4.885 -0.416 -7.847 1.00 0.00 C ATOM 338 CG ASN A 23 -5.511 -1.460 -8.767 1.00 0.00 C ATOM 339 OD1 ASN A 23 -4.823 -2.306 -9.301 1.00 0.00 O ATOM 340 ND2 ASN A 23 -6.796 -1.432 -8.983 1.00 0.00 N ATOM 0 H ASN A 23 -5.513 0.373 -4.997 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.846 -2.073 -6.479 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.507 0.478 -7.820 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.911 -0.115 -8.233 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.224 -2.121 -9.601 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.373 -0.721 -8.534 1.00 0.00 H new ATOM 347 N LEU A 24 -2.338 -1.298 -6.429 1.00 0.00 N ATOM 348 CA LEU A 24 -0.949 -1.049 -5.952 1.00 0.00 C ATOM 349 C LEU A 24 -0.001 -1.040 -7.150 1.00 0.00 C ATOM 350 O LEU A 24 0.850 -1.897 -7.283 1.00 0.00 O ATOM 351 CB LEU A 24 -0.522 -2.162 -4.999 1.00 0.00 C ATOM 352 CG LEU A 24 -1.566 -2.322 -3.900 1.00 0.00 C ATOM 353 CD1 LEU A 24 -2.191 -3.706 -4.009 1.00 0.00 C ATOM 354 CD2 LEU A 24 -0.892 -2.168 -2.533 1.00 0.00 C ATOM 0 H LEU A 24 -2.418 -1.980 -7.183 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.914 -0.090 -5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.408 -3.098 -5.545 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.448 -1.928 -4.561 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.339 -1.561 -4.008 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.940 -3.830 -3.226 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.664 -3.816 -4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.417 -4.465 -3.894 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.637 -2.282 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.123 -2.932 -2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.436 -1.180 -2.461 1.00 0.00 H new ATOM 366 N ILE A 25 -0.145 -0.094 -8.030 1.00 0.00 N ATOM 367 CA ILE A 25 0.745 -0.055 -9.223 1.00 0.00 C ATOM 368 C ILE A 25 2.073 0.609 -8.863 1.00 0.00 C ATOM 369 O ILE A 25 2.124 1.773 -8.528 1.00 0.00 O ATOM 370 CB ILE A 25 0.054 0.729 -10.332 1.00 0.00 C ATOM 371 CG1 ILE A 25 -1.307 0.088 -10.604 1.00 0.00 C ATOM 372 CG2 ILE A 25 0.908 0.689 -11.603 1.00 0.00 C ATOM 373 CD1 ILE A 25 -1.957 0.764 -11.805 1.00 0.00 C ATOM 0 H ILE A 25 -0.838 0.653 -7.977 1.00 0.00 H new ATOM 0 HA ILE A 25 0.945 -1.071 -9.563 1.00 0.00 H new ATOM 0 HB ILE A 25 -0.077 1.768 -10.029 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.187 -0.978 -10.795 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.948 0.185 -9.728 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.410 1.251 -12.394 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.883 1.133 -11.401 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.040 -0.345 -11.921 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.927 0.307 -11.999 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.091 1.825 -11.597 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.318 0.644 -12.680 1.00 0.00 H new ATOM 385 N PHE A 26 3.155 -0.121 -8.929 1.00 0.00 N ATOM 386 CA PHE A 26 4.470 0.484 -8.585 1.00 0.00 C ATOM 387 C PHE A 26 5.252 0.801 -9.853 1.00 0.00 C ATOM 388 O PHE A 26 4.944 0.337 -10.933 1.00 0.00 O ATOM 389 CB PHE A 26 5.279 -0.479 -7.735 1.00 0.00 C ATOM 390 CG PHE A 26 4.638 -0.617 -6.373 1.00 0.00 C ATOM 391 CD1 PHE A 26 4.950 0.294 -5.355 1.00 0.00 C ATOM 392 CD2 PHE A 26 3.723 -1.647 -6.133 1.00 0.00 C ATOM 393 CE1 PHE A 26 4.348 0.171 -4.100 1.00 0.00 C ATOM 394 CE2 PHE A 26 3.123 -1.773 -4.875 1.00 0.00 C ATOM 395 CZ PHE A 26 3.434 -0.863 -3.858 1.00 0.00 C ATOM 0 H PHE A 26 3.183 -1.103 -9.204 1.00 0.00 H new ATOM 0 HA PHE A 26 4.291 1.404 -8.029 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.333 -1.452 -8.223 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.302 -0.117 -7.631 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.655 1.091 -5.540 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.479 -2.346 -6.919 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.588 0.874 -3.316 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.420 -2.572 -4.689 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.970 -0.958 -2.887 1.00 0.00 H new ATOM 405 N ALA A 27 6.268 1.591 -9.709 1.00 0.00 N ATOM 406 CA ALA A 27 7.115 1.968 -10.875 1.00 0.00 C ATOM 407 C ALA A 27 8.145 0.871 -11.135 1.00 0.00 C ATOM 408 O ALA A 27 8.743 0.801 -12.190 1.00 0.00 O ATOM 409 CB ALA A 27 7.835 3.283 -10.574 1.00 0.00 C ATOM 0 H ALA A 27 6.557 2.001 -8.821 1.00 0.00 H new ATOM 0 HA ALA A 27 6.486 2.090 -11.757 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.456 3.561 -11.426 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.100 4.066 -10.389 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.463 3.160 -9.692 1.00 0.00 H new ATOM 415 N ASN A 28 8.375 0.026 -10.167 1.00 0.00 N ATOM 416 CA ASN A 28 9.379 -1.052 -10.335 1.00 0.00 C ATOM 417 C ASN A 28 8.751 -2.252 -11.049 1.00 0.00 C ATOM 418 O ASN A 28 8.922 -3.385 -10.645 1.00 0.00 O ATOM 419 CB ASN A 28 9.868 -1.474 -8.955 1.00 0.00 C ATOM 420 CG ASN A 28 8.683 -1.953 -8.114 1.00 0.00 C ATOM 421 OD1 ASN A 28 7.544 -1.809 -8.512 1.00 0.00 O ATOM 422 ND2 ASN A 28 8.902 -2.522 -6.960 1.00 0.00 N ATOM 0 H ASN A 28 7.905 0.040 -9.262 1.00 0.00 H new ATOM 0 HA ASN A 28 10.213 -0.689 -10.936 1.00 0.00 H new ATOM 0 HB2 ASN A 28 10.606 -2.270 -9.048 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.362 -0.637 -8.462 1.00 0.00 H new ATOM 0 HD21 ASN A 28 8.118 -2.845 -6.394 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.858 -2.644 -6.625 1.00 0.00 H new ATOM 429 N GLY A 29 8.032 -2.015 -12.112 1.00 0.00 N ATOM 430 CA GLY A 29 7.404 -3.143 -12.854 1.00 0.00 C ATOM 431 C GLY A 29 6.710 -4.093 -11.876 1.00 0.00 C ATOM 432 O GLY A 29 6.607 -5.279 -12.119 1.00 0.00 O ATOM 0 H GLY A 29 7.853 -1.088 -12.498 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.682 -2.758 -13.574 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.162 -3.683 -13.421 1.00 0.00 H new ATOM 436 N SER A 30 6.224 -3.584 -10.778 1.00 0.00 N ATOM 437 CA SER A 30 5.528 -4.465 -9.797 1.00 0.00 C ATOM 438 C SER A 30 4.109 -3.951 -9.582 1.00 0.00 C ATOM 439 O SER A 30 3.690 -3.690 -8.475 1.00 0.00 O ATOM 440 CB SER A 30 6.275 -4.450 -8.467 1.00 0.00 C ATOM 441 OG SER A 30 5.907 -5.595 -7.711 1.00 0.00 O ATOM 0 H SER A 30 6.278 -2.599 -10.517 1.00 0.00 H new ATOM 0 HA SER A 30 5.500 -5.484 -10.183 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.351 -4.445 -8.641 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.037 -3.542 -7.913 1.00 0.00 H new ATOM 0 HG SER A 30 6.386 -5.590 -6.856 1.00 0.00 H new ATOM 447 N THR A 31 3.368 -3.795 -10.637 1.00 0.00 N ATOM 448 CA THR A 31 1.977 -3.286 -10.501 1.00 0.00 C ATOM 449 C THR A 31 1.050 -4.416 -10.047 1.00 0.00 C ATOM 450 O THR A 31 1.140 -5.532 -10.518 1.00 0.00 O ATOM 451 CB THR A 31 1.498 -2.751 -11.850 1.00 0.00 C ATOM 452 OG1 THR A 31 0.974 -3.822 -12.622 1.00 0.00 O ATOM 453 CG2 THR A 31 2.672 -2.110 -12.594 1.00 0.00 C ATOM 0 H THR A 31 3.665 -3.998 -11.592 1.00 0.00 H new ATOM 0 HA THR A 31 1.959 -2.487 -9.760 1.00 0.00 H new ATOM 0 HB THR A 31 0.721 -2.003 -11.690 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.665 -3.481 -13.487 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.329 -1.729 -13.556 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.074 -1.289 -12.001 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.451 -2.855 -12.756 1.00 0.00 H new ATOM 461 N GLN A 32 0.152 -4.133 -9.140 1.00 0.00 N ATOM 462 CA GLN A 32 -0.785 -5.189 -8.663 1.00 0.00 C ATOM 463 C GLN A 32 -2.135 -4.549 -8.345 1.00 0.00 C ATOM 464 O GLN A 32 -2.492 -3.529 -8.899 1.00 0.00 O ATOM 465 CB GLN A 32 -0.225 -5.853 -7.404 1.00 0.00 C ATOM 466 CG GLN A 32 -0.538 -7.352 -7.437 1.00 0.00 C ATOM 467 CD GLN A 32 0.038 -8.027 -6.189 1.00 0.00 C ATOM 468 OE1 GLN A 32 1.221 -8.299 -6.123 1.00 0.00 O ATOM 469 NE2 GLN A 32 -0.753 -8.315 -5.191 1.00 0.00 N ATOM 0 H GLN A 32 0.028 -3.216 -8.710 1.00 0.00 H new ATOM 0 HA GLN A 32 -0.906 -5.945 -9.439 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.852 -5.696 -7.345 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.662 -5.399 -6.515 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.616 -7.507 -7.482 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.114 -7.802 -8.334 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.746 -8.087 -5.245 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -0.378 -8.768 -4.357 1.00 0.00 H new ATOM 478 N THR A 33 -2.895 -5.135 -7.459 1.00 0.00 N ATOM 479 CA THR A 33 -4.216 -4.539 -7.124 1.00 0.00 C ATOM 480 C THR A 33 -4.712 -5.064 -5.771 1.00 0.00 C ATOM 481 O THR A 33 -4.121 -5.945 -5.178 1.00 0.00 O ATOM 482 CB THR A 33 -5.229 -4.909 -8.206 1.00 0.00 C ATOM 483 OG1 THR A 33 -6.538 -4.583 -7.759 1.00 0.00 O ATOM 484 CG2 THR A 33 -5.145 -6.408 -8.497 1.00 0.00 C ATOM 0 H THR A 33 -2.660 -5.992 -6.958 1.00 0.00 H new ATOM 0 HA THR A 33 -4.108 -3.456 -7.068 1.00 0.00 H new ATOM 0 HB THR A 33 -5.007 -4.353 -9.117 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.129 -5.354 -7.888 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.868 -6.670 -9.269 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.141 -6.656 -8.841 1.00 0.00 H new ATOM 0 HG23 THR A 33 -5.366 -6.968 -7.588 1.00 0.00 H new ATOM 492 N ALA A 34 -5.802 -4.525 -5.289 1.00 0.00 N ATOM 493 CA ALA A 34 -6.363 -4.976 -3.981 1.00 0.00 C ATOM 494 C ALA A 34 -7.882 -4.797 -4.012 1.00 0.00 C ATOM 495 O ALA A 34 -8.413 -4.152 -4.895 1.00 0.00 O ATOM 496 CB ALA A 34 -5.771 -4.126 -2.860 1.00 0.00 C ATOM 0 H ALA A 34 -6.332 -3.785 -5.750 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.117 -6.024 -3.807 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.178 -4.452 -1.903 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.687 -4.239 -2.851 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.025 -3.079 -3.025 1.00 0.00 H new ATOM 502 N GLU A 35 -8.598 -5.360 -3.075 1.00 0.00 N ATOM 503 CA GLU A 35 -10.079 -5.199 -3.110 1.00 0.00 C ATOM 504 C GLU A 35 -10.713 -5.481 -1.741 1.00 0.00 C ATOM 505 O GLU A 35 -10.276 -6.333 -0.993 1.00 0.00 O ATOM 506 CB GLU A 35 -10.657 -6.167 -4.140 1.00 0.00 C ATOM 507 CG GLU A 35 -12.128 -5.835 -4.399 1.00 0.00 C ATOM 508 CD GLU A 35 -12.646 -6.681 -5.566 1.00 0.00 C ATOM 509 OE1 GLU A 35 -12.500 -7.891 -5.506 1.00 0.00 O ATOM 510 OE2 GLU A 35 -13.179 -6.104 -6.499 1.00 0.00 O ATOM 0 H GLU A 35 -8.230 -5.914 -2.302 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.305 -4.167 -3.379 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.092 -6.103 -5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.564 -7.192 -3.781 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.719 -6.031 -3.504 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.238 -4.775 -4.628 1.00 0.00 H new ATOM 517 N PHE A 36 -11.781 -4.788 -1.449 1.00 0.00 N ATOM 518 CA PHE A 36 -12.530 -4.996 -0.185 1.00 0.00 C ATOM 519 C PHE A 36 -13.983 -4.623 -0.475 1.00 0.00 C ATOM 520 O PHE A 36 -14.261 -3.560 -0.992 1.00 0.00 O ATOM 521 CB PHE A 36 -12.007 -4.138 0.969 1.00 0.00 C ATOM 522 CG PHE A 36 -10.792 -3.302 0.607 1.00 0.00 C ATOM 523 CD1 PHE A 36 -10.765 -2.539 -0.562 1.00 0.00 C ATOM 524 CD2 PHE A 36 -9.701 -3.264 1.487 1.00 0.00 C ATOM 525 CE1 PHE A 36 -9.648 -1.740 -0.859 1.00 0.00 C ATOM 526 CE2 PHE A 36 -8.587 -2.467 1.198 1.00 0.00 C ATOM 527 CZ PHE A 36 -8.555 -1.704 0.030 1.00 0.00 C ATOM 0 H PHE A 36 -12.173 -4.067 -2.055 1.00 0.00 H new ATOM 0 HA PHE A 36 -12.415 -6.033 0.130 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.804 -3.476 1.308 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.753 -4.787 1.807 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -11.605 -2.563 -1.240 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.720 -3.853 2.392 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.627 -1.155 -1.766 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.750 -2.443 1.881 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.696 -1.088 -0.192 1.00 0.00 H new ATOM 537 N LYS A 37 -14.910 -5.500 -0.207 1.00 0.00 N ATOM 538 CA LYS A 37 -16.328 -5.188 -0.545 1.00 0.00 C ATOM 539 C LYS A 37 -17.205 -5.097 0.699 1.00 0.00 C ATOM 540 O LYS A 37 -16.755 -5.257 1.817 1.00 0.00 O ATOM 541 CB LYS A 37 -16.879 -6.278 -1.467 1.00 0.00 C ATOM 542 CG LYS A 37 -15.735 -7.153 -1.993 1.00 0.00 C ATOM 543 CD LYS A 37 -16.304 -8.286 -2.846 1.00 0.00 C ATOM 544 CE LYS A 37 -15.364 -9.501 -2.824 1.00 0.00 C ATOM 545 NZ LYS A 37 -14.670 -9.592 -1.506 1.00 0.00 N ATOM 0 H LYS A 37 -14.751 -6.410 0.226 1.00 0.00 H new ATOM 0 HA LYS A 37 -16.346 -4.217 -1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.598 -6.893 -0.926 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.413 -5.823 -2.302 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.046 -6.550 -2.584 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -15.165 -7.563 -1.159 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -17.287 -8.572 -2.472 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.441 -7.943 -3.872 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.932 -10.413 -3.008 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.629 -9.416 -3.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.330 -10.564 -1.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -13.863 -8.937 -1.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.333 -9.339 -0.746 1.00 0.00 H new ATOM 559 N GLY A 38 -18.470 -4.824 0.495 1.00 0.00 N ATOM 560 CA GLY A 38 -19.406 -4.700 1.648 1.00 0.00 C ATOM 561 C GLY A 38 -19.516 -3.229 2.037 1.00 0.00 C ATOM 562 O GLY A 38 -20.575 -2.633 1.971 1.00 0.00 O ATOM 0 H GLY A 38 -18.893 -4.682 -0.422 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -20.387 -5.094 1.382 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -19.045 -5.287 2.492 1.00 0.00 H new ATOM 566 N THR A 39 -18.425 -2.629 2.425 1.00 0.00 N ATOM 567 CA THR A 39 -18.458 -1.196 2.794 1.00 0.00 C ATOM 568 C THR A 39 -18.233 -0.380 1.518 1.00 0.00 C ATOM 569 O THR A 39 -17.648 -0.864 0.571 1.00 0.00 O ATOM 570 CB THR A 39 -17.349 -0.925 3.808 1.00 0.00 C ATOM 571 OG1 THR A 39 -16.628 -2.128 4.046 1.00 0.00 O ATOM 572 CG2 THR A 39 -17.966 -0.429 5.117 1.00 0.00 C ATOM 0 H THR A 39 -17.511 -3.076 2.501 1.00 0.00 H new ATOM 0 HA THR A 39 -19.414 -0.921 3.241 1.00 0.00 H new ATOM 0 HB THR A 39 -16.672 -0.165 3.418 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.914 -1.958 4.695 1.00 0.00 H new ATOM 0 HG21 THR A 39 -17.175 -0.235 5.842 1.00 0.00 H new ATOM 0 HG22 THR A 39 -18.522 0.490 4.932 1.00 0.00 H new ATOM 0 HG23 THR A 39 -18.641 -1.188 5.511 1.00 0.00 H new ATOM 580 N PHE A 40 -18.711 0.834 1.453 1.00 0.00 N ATOM 581 CA PHE A 40 -18.520 1.608 0.193 1.00 0.00 C ATOM 582 C PHE A 40 -17.415 2.649 0.341 1.00 0.00 C ATOM 583 O PHE A 40 -16.266 2.386 0.046 1.00 0.00 O ATOM 584 CB PHE A 40 -19.834 2.283 -0.224 1.00 0.00 C ATOM 585 CG PHE A 40 -19.679 2.899 -1.600 1.00 0.00 C ATOM 586 CD1 PHE A 40 -19.080 4.159 -1.750 1.00 0.00 C ATOM 587 CD2 PHE A 40 -20.122 2.204 -2.733 1.00 0.00 C ATOM 588 CE1 PHE A 40 -18.921 4.717 -3.023 1.00 0.00 C ATOM 589 CE2 PHE A 40 -19.959 2.764 -4.009 1.00 0.00 C ATOM 590 CZ PHE A 40 -19.358 4.021 -4.152 1.00 0.00 C ATOM 0 H PHE A 40 -19.214 1.314 2.199 1.00 0.00 H new ATOM 0 HA PHE A 40 -18.218 0.907 -0.586 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -20.643 1.552 -0.231 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -20.105 3.051 0.500 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -18.740 4.700 -0.879 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -20.589 1.236 -2.624 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -18.460 5.687 -3.133 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -20.297 2.225 -4.882 1.00 0.00 H new ATOM 0 HZ PHE A 40 -19.233 4.452 -5.134 1.00 0.00 H new ATOM 600 N GLU A 41 -17.735 3.834 0.767 1.00 0.00 N ATOM 601 CA GLU A 41 -16.684 4.870 0.889 1.00 0.00 C ATOM 602 C GLU A 41 -16.002 4.759 2.251 1.00 0.00 C ATOM 603 O GLU A 41 -15.338 5.669 2.707 1.00 0.00 O ATOM 604 CB GLU A 41 -17.310 6.247 0.688 1.00 0.00 C ATOM 605 CG GLU A 41 -16.207 7.300 0.583 1.00 0.00 C ATOM 606 CD GLU A 41 -16.738 8.522 -0.171 1.00 0.00 C ATOM 607 OE1 GLU A 41 -17.773 8.399 -0.805 1.00 0.00 O ATOM 608 OE2 GLU A 41 -16.099 9.559 -0.103 1.00 0.00 O ATOM 0 H GLU A 41 -18.674 4.128 1.034 1.00 0.00 H new ATOM 0 HA GLU A 41 -15.923 4.723 0.123 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.919 6.252 -0.216 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -17.973 6.482 1.521 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -15.871 7.591 1.578 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -15.343 6.886 0.064 1.00 0.00 H new ATOM 615 N LYS A 42 -16.115 3.618 2.873 1.00 0.00 N ATOM 616 CA LYS A 42 -15.436 3.395 4.162 1.00 0.00 C ATOM 617 C LYS A 42 -14.174 2.601 3.842 1.00 0.00 C ATOM 618 O LYS A 42 -13.171 2.684 4.519 1.00 0.00 O ATOM 619 CB LYS A 42 -16.323 2.595 5.127 1.00 0.00 C ATOM 620 CG LYS A 42 -17.799 2.691 4.718 1.00 0.00 C ATOM 621 CD LYS A 42 -18.359 4.057 5.114 1.00 0.00 C ATOM 622 CE LYS A 42 -19.031 3.948 6.484 1.00 0.00 C ATOM 623 NZ LYS A 42 -19.079 5.291 7.127 1.00 0.00 N ATOM 0 H LYS A 42 -16.658 2.825 2.531 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.211 4.344 4.648 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -16.010 1.551 5.134 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.197 2.973 6.142 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.898 2.545 3.642 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -18.372 1.899 5.201 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -17.558 4.796 5.146 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -19.078 4.398 4.369 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -20.040 3.550 6.374 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -18.480 3.251 7.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -19.536 5.214 8.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -18.112 5.654 7.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -19.623 5.944 6.527 1.00 0.00 H new ATOM 637 N ALA A 43 -14.231 1.846 2.772 1.00 0.00 N ATOM 638 CA ALA A 43 -13.061 1.046 2.332 1.00 0.00 C ATOM 639 C ALA A 43 -12.115 1.958 1.549 1.00 0.00 C ATOM 640 O ALA A 43 -10.979 1.619 1.298 1.00 0.00 O ATOM 641 CB ALA A 43 -13.544 -0.095 1.442 1.00 0.00 C ATOM 0 H ALA A 43 -15.056 1.753 2.179 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.537 0.629 3.192 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.690 -0.688 1.115 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.231 -0.728 2.003 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.057 0.314 0.572 1.00 0.00 H new ATOM 647 N THR A 44 -12.581 3.122 1.169 1.00 0.00 N ATOM 648 CA THR A 44 -11.707 4.073 0.416 1.00 0.00 C ATOM 649 C THR A 44 -10.509 4.455 1.292 1.00 0.00 C ATOM 650 O THR A 44 -9.381 4.123 0.988 1.00 0.00 O ATOM 651 CB THR A 44 -12.512 5.324 0.062 1.00 0.00 C ATOM 652 OG1 THR A 44 -13.412 5.024 -0.996 1.00 0.00 O ATOM 653 CG2 THR A 44 -11.564 6.442 -0.375 1.00 0.00 C ATOM 0 H THR A 44 -13.529 3.454 1.348 1.00 0.00 H new ATOM 0 HA THR A 44 -11.349 3.604 -0.501 1.00 0.00 H new ATOM 0 HB THR A 44 -13.074 5.651 0.937 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.930 5.825 -1.222 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.142 7.331 -0.626 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.876 6.674 0.438 1.00 0.00 H new ATOM 0 HG23 THR A 44 -10.998 6.118 -1.248 1.00 0.00 H new ATOM 661 N SER A 45 -10.741 5.139 2.381 1.00 0.00 N ATOM 662 CA SER A 45 -9.608 5.517 3.273 1.00 0.00 C ATOM 663 C SER A 45 -8.938 4.238 3.767 1.00 0.00 C ATOM 664 O SER A 45 -7.729 4.124 3.783 1.00 0.00 O ATOM 665 CB SER A 45 -10.134 6.320 4.466 1.00 0.00 C ATOM 666 OG SER A 45 -10.148 5.496 5.626 1.00 0.00 O ATOM 0 H SER A 45 -11.662 5.451 2.690 1.00 0.00 H new ATOM 0 HA SER A 45 -8.890 6.130 2.728 1.00 0.00 H new ATOM 0 HB2 SER A 45 -9.504 7.194 4.635 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.139 6.687 4.256 1.00 0.00 H new ATOM 0 HG SER A 45 -10.483 6.011 6.389 1.00 0.00 H new ATOM 672 N GLU A 46 -9.716 3.263 4.155 1.00 0.00 N ATOM 673 CA GLU A 46 -9.119 1.986 4.626 1.00 0.00 C ATOM 674 C GLU A 46 -8.236 1.425 3.516 1.00 0.00 C ATOM 675 O GLU A 46 -7.289 0.704 3.759 1.00 0.00 O ATOM 676 CB GLU A 46 -10.223 0.990 4.950 1.00 0.00 C ATOM 677 CG GLU A 46 -9.798 0.127 6.139 1.00 0.00 C ATOM 678 CD GLU A 46 -9.512 -1.296 5.660 1.00 0.00 C ATOM 679 OE1 GLU A 46 -10.339 -1.836 4.944 1.00 0.00 O ATOM 680 OE2 GLU A 46 -8.470 -1.822 6.017 1.00 0.00 O ATOM 0 H GLU A 46 -10.735 3.298 4.165 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.527 2.162 5.524 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.148 1.518 5.183 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -10.425 0.360 4.084 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.910 0.549 6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.584 0.117 6.894 1.00 0.00 H new ATOM 687 N ALA A 47 -8.532 1.777 2.297 1.00 0.00 N ATOM 688 CA ALA A 47 -7.708 1.296 1.160 1.00 0.00 C ATOM 689 C ALA A 47 -6.459 2.163 1.095 1.00 0.00 C ATOM 690 O ALA A 47 -5.389 1.712 0.745 1.00 0.00 O ATOM 691 CB ALA A 47 -8.491 1.428 -0.150 1.00 0.00 C ATOM 0 H ALA A 47 -9.313 2.380 2.040 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.445 0.248 1.301 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.878 1.072 -0.978 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.402 0.832 -0.091 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.752 2.474 -0.314 1.00 0.00 H new ATOM 697 N TYR A 48 -6.594 3.412 1.444 1.00 0.00 N ATOM 698 CA TYR A 48 -5.429 4.316 1.418 1.00 0.00 C ATOM 699 C TYR A 48 -4.441 3.863 2.484 1.00 0.00 C ATOM 700 O TYR A 48 -3.243 4.027 2.356 1.00 0.00 O ATOM 701 CB TYR A 48 -5.888 5.744 1.680 1.00 0.00 C ATOM 702 CG TYR A 48 -5.123 6.656 0.761 1.00 0.00 C ATOM 703 CD1 TYR A 48 -5.432 6.668 -0.600 1.00 0.00 C ATOM 704 CD2 TYR A 48 -4.100 7.475 1.257 1.00 0.00 C ATOM 705 CE1 TYR A 48 -4.718 7.493 -1.471 1.00 0.00 C ATOM 706 CE2 TYR A 48 -3.384 8.299 0.385 1.00 0.00 C ATOM 707 CZ TYR A 48 -3.694 8.311 -0.979 1.00 0.00 C ATOM 708 OH TYR A 48 -2.985 9.123 -1.840 1.00 0.00 O ATOM 0 H TYR A 48 -7.469 3.840 1.746 1.00 0.00 H new ATOM 0 HA TYR A 48 -4.944 4.286 0.442 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -6.960 5.838 1.504 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.711 6.016 2.721 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.224 6.039 -0.979 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -3.865 7.469 2.311 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.956 7.500 -2.524 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.591 8.927 0.764 1.00 0.00 H new ATOM 0 HH TYR A 48 -2.066 8.791 -1.920 1.00 0.00 H new ATOM 718 N ALA A 49 -4.941 3.259 3.520 1.00 0.00 N ATOM 719 CA ALA A 49 -4.047 2.744 4.587 1.00 0.00 C ATOM 720 C ALA A 49 -3.488 1.413 4.102 1.00 0.00 C ATOM 721 O ALA A 49 -2.390 1.016 4.442 1.00 0.00 O ATOM 722 CB ALA A 49 -4.842 2.533 5.879 1.00 0.00 C ATOM 0 H ALA A 49 -5.936 3.099 3.675 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.244 3.452 4.793 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.179 2.155 6.657 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.274 3.481 6.200 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.640 1.812 5.701 1.00 0.00 H new ATOM 728 N TYR A 50 -4.244 0.730 3.286 1.00 0.00 N ATOM 729 CA TYR A 50 -3.784 -0.567 2.737 1.00 0.00 C ATOM 730 C TYR A 50 -2.531 -0.324 1.890 1.00 0.00 C ATOM 731 O TYR A 50 -1.537 -1.014 2.009 1.00 0.00 O ATOM 732 CB TYR A 50 -4.906 -1.130 1.872 1.00 0.00 C ATOM 733 CG TYR A 50 -4.489 -2.445 1.284 1.00 0.00 C ATOM 734 CD1 TYR A 50 -4.307 -3.560 2.108 1.00 0.00 C ATOM 735 CD2 TYR A 50 -4.294 -2.550 -0.092 1.00 0.00 C ATOM 736 CE1 TYR A 50 -3.929 -4.783 1.549 1.00 0.00 C ATOM 737 CE2 TYR A 50 -3.916 -3.769 -0.651 1.00 0.00 C ATOM 738 CZ TYR A 50 -3.732 -4.888 0.169 1.00 0.00 C ATOM 739 OH TYR A 50 -3.359 -6.096 -0.387 1.00 0.00 O ATOM 0 H TYR A 50 -5.170 1.023 2.976 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.542 -1.272 3.532 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.808 -1.259 2.470 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.150 -0.427 1.076 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.458 -3.476 3.174 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.436 -1.687 -0.725 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.789 -5.647 2.182 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.765 -3.850 -1.717 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.266 -5.995 -1.357 1.00 0.00 H new ATOM 749 N ALA A 51 -2.577 0.675 1.051 1.00 0.00 N ATOM 750 CA ALA A 51 -1.406 1.023 0.189 1.00 0.00 C ATOM 751 C ALA A 51 -0.416 1.880 0.985 1.00 0.00 C ATOM 752 O ALA A 51 0.460 2.514 0.430 1.00 0.00 O ATOM 753 CB ALA A 51 -1.910 1.799 -1.026 1.00 0.00 C ATOM 0 H ALA A 51 -3.391 1.277 0.923 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.898 0.116 -0.138 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.067 2.061 -1.666 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.613 1.182 -1.586 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.410 2.709 -0.695 1.00 0.00 H new ATOM 759 N ASP A 52 -0.547 1.909 2.282 1.00 0.00 N ATOM 760 CA ASP A 52 0.384 2.726 3.106 1.00 0.00 C ATOM 761 C ASP A 52 1.222 1.807 4.002 1.00 0.00 C ATOM 762 O ASP A 52 2.323 2.145 4.388 1.00 0.00 O ATOM 763 CB ASP A 52 -0.424 3.694 3.973 1.00 0.00 C ATOM 764 CG ASP A 52 0.219 5.081 3.925 1.00 0.00 C ATOM 765 OD1 ASP A 52 1.352 5.173 3.482 1.00 0.00 O ATOM 766 OD2 ASP A 52 -0.433 6.030 4.330 1.00 0.00 O ATOM 0 H ASP A 52 -1.260 1.401 2.807 1.00 0.00 H new ATOM 0 HA ASP A 52 1.049 3.291 2.452 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.453 3.746 3.617 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.461 3.334 5.001 1.00 0.00 H new ATOM 771 N THR A 53 0.716 0.648 4.337 1.00 0.00 N ATOM 772 CA THR A 53 1.498 -0.280 5.209 1.00 0.00 C ATOM 773 C THR A 53 2.707 -0.809 4.435 1.00 0.00 C ATOM 774 O THR A 53 3.617 -1.378 5.004 1.00 0.00 O ATOM 775 CB THR A 53 0.616 -1.455 5.644 1.00 0.00 C ATOM 776 OG1 THR A 53 -0.708 -0.994 5.867 1.00 0.00 O ATOM 777 CG2 THR A 53 1.168 -2.061 6.937 1.00 0.00 C ATOM 0 H THR A 53 -0.200 0.305 4.047 1.00 0.00 H new ATOM 0 HA THR A 53 1.837 0.260 6.093 1.00 0.00 H new ATOM 0 HB THR A 53 0.612 -2.214 4.861 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.274 -1.745 6.144 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.539 -2.897 7.245 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.185 -2.415 6.768 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.173 -1.303 7.721 1.00 0.00 H new ATOM 785 N LEU A 54 2.730 -0.626 3.143 1.00 0.00 N ATOM 786 CA LEU A 54 3.887 -1.122 2.346 1.00 0.00 C ATOM 787 C LEU A 54 5.097 -0.220 2.583 1.00 0.00 C ATOM 788 O LEU A 54 6.051 -0.604 3.232 1.00 0.00 O ATOM 789 CB LEU A 54 3.526 -1.117 0.860 1.00 0.00 C ATOM 790 CG LEU A 54 2.353 -2.071 0.621 1.00 0.00 C ATOM 791 CD1 LEU A 54 1.075 -1.261 0.388 1.00 0.00 C ATOM 792 CD2 LEU A 54 2.642 -2.933 -0.609 1.00 0.00 C ATOM 0 H LEU A 54 2.000 -0.156 2.607 1.00 0.00 H new ATOM 0 HA LEU A 54 4.129 -2.139 2.655 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.260 -0.109 0.542 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.386 -1.423 0.264 1.00 0.00 H new ATOM 0 HG LEU A 54 2.222 -2.712 1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.240 -1.940 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.870 -0.646 1.264 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.205 -0.620 -0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.808 -3.613 -0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.773 -2.291 -1.480 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.552 -3.510 -0.443 1.00 0.00 H new ATOM 804 N LYS A 55 5.068 0.975 2.066 1.00 0.00 N ATOM 805 CA LYS A 55 6.224 1.896 2.267 1.00 0.00 C ATOM 806 C LYS A 55 7.536 1.135 2.061 1.00 0.00 C ATOM 807 O LYS A 55 8.551 1.469 2.637 1.00 0.00 O ATOM 808 CB LYS A 55 6.190 2.455 3.690 1.00 0.00 C ATOM 809 CG LYS A 55 6.162 3.981 3.637 1.00 0.00 C ATOM 810 CD LYS A 55 5.165 4.508 4.669 1.00 0.00 C ATOM 811 CE LYS A 55 4.043 5.254 3.947 1.00 0.00 C ATOM 812 NZ LYS A 55 4.628 6.110 2.877 1.00 0.00 N ATOM 0 H LYS A 55 4.298 1.355 1.515 1.00 0.00 H new ATOM 0 HA LYS A 55 6.159 2.712 1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.312 2.083 4.218 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.064 2.116 4.246 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.156 4.381 3.838 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.880 4.316 2.639 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.754 3.682 5.250 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.667 5.173 5.371 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.338 4.544 3.515 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.485 5.867 4.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.066 6.980 2.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.607 6.356 3.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.620 5.592 1.975 1.00 0.00 H new ATOM 826 N LYS A 56 7.531 0.116 1.245 1.00 0.00 N ATOM 827 CA LYS A 56 8.787 -0.650 1.015 1.00 0.00 C ATOM 828 C LYS A 56 9.772 0.237 0.264 1.00 0.00 C ATOM 829 O LYS A 56 10.665 0.828 0.840 1.00 0.00 O ATOM 830 CB LYS A 56 8.487 -1.896 0.180 1.00 0.00 C ATOM 831 CG LYS A 56 8.254 -3.079 1.117 1.00 0.00 C ATOM 832 CD LYS A 56 8.537 -4.384 0.376 1.00 0.00 C ATOM 833 CE LYS A 56 7.768 -5.521 1.045 1.00 0.00 C ATOM 834 NZ LYS A 56 8.688 -6.669 1.270 1.00 0.00 N ATOM 0 H LYS A 56 6.716 -0.217 0.731 1.00 0.00 H new ATOM 0 HA LYS A 56 9.212 -0.955 1.971 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.607 -1.730 -0.442 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.318 -2.107 -0.493 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.901 -2.997 1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.226 -3.071 1.480 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.240 -4.294 -0.669 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.606 -4.597 0.386 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.349 -5.184 1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.931 -5.828 0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 8.168 -7.446 1.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.067 -6.994 0.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.472 -6.370 1.884 1.00 0.00 H new ATOM 848 N ASP A 57 9.604 0.345 -1.020 1.00 0.00 N ATOM 849 CA ASP A 57 10.512 1.205 -1.824 1.00 0.00 C ATOM 850 C ASP A 57 9.655 2.174 -2.633 1.00 0.00 C ATOM 851 O ASP A 57 10.017 2.592 -3.715 1.00 0.00 O ATOM 852 CB ASP A 57 11.342 0.335 -2.770 1.00 0.00 C ATOM 853 CG ASP A 57 10.436 -0.255 -3.853 1.00 0.00 C ATOM 854 OD1 ASP A 57 9.506 -0.960 -3.501 1.00 0.00 O ATOM 855 OD2 ASP A 57 10.688 0.008 -5.018 1.00 0.00 O ATOM 0 H ASP A 57 8.873 -0.128 -1.551 1.00 0.00 H new ATOM 0 HA ASP A 57 11.189 1.755 -1.171 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.133 0.930 -3.227 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.828 -0.466 -2.212 1.00 0.00 H new ATOM 860 N ASN A 58 8.509 2.521 -2.112 1.00 0.00 N ATOM 861 CA ASN A 58 7.603 3.449 -2.844 1.00 0.00 C ATOM 862 C ASN A 58 7.987 4.897 -2.533 1.00 0.00 C ATOM 863 O ASN A 58 8.405 5.637 -3.401 1.00 0.00 O ATOM 864 CB ASN A 58 6.152 3.212 -2.415 1.00 0.00 C ATOM 865 CG ASN A 58 6.003 1.845 -1.741 1.00 0.00 C ATOM 866 OD1 ASN A 58 6.414 0.838 -2.285 1.00 0.00 O ATOM 867 ND2 ASN A 58 5.434 1.769 -0.567 1.00 0.00 N ATOM 0 H ASN A 58 8.161 2.200 -1.208 1.00 0.00 H new ATOM 0 HA ASN A 58 7.700 3.264 -3.914 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.838 3.998 -1.728 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.497 3.268 -3.284 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.334 0.865 -0.106 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.090 2.614 -0.112 1.00 0.00 H new ATOM 874 N GLY A 59 7.841 5.314 -1.305 1.00 0.00 N ATOM 875 CA GLY A 59 8.190 6.719 -0.955 1.00 0.00 C ATOM 876 C GLY A 59 6.944 7.588 -1.095 1.00 0.00 C ATOM 877 O GLY A 59 6.979 8.660 -1.664 1.00 0.00 O ATOM 0 H GLY A 59 7.496 4.745 -0.532 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.572 6.770 0.065 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.980 7.085 -1.610 1.00 0.00 H new ATOM 881 N GLU A 60 5.847 7.106 -0.594 1.00 0.00 N ATOM 882 CA GLU A 60 4.562 7.851 -0.686 1.00 0.00 C ATOM 883 C GLU A 60 4.061 7.760 -2.118 1.00 0.00 C ATOM 884 O GLU A 60 4.729 7.224 -2.979 1.00 0.00 O ATOM 885 CB GLU A 60 4.757 9.309 -0.271 1.00 0.00 C ATOM 886 CG GLU A 60 5.293 9.342 1.160 1.00 0.00 C ATOM 887 CD GLU A 60 5.654 10.777 1.545 1.00 0.00 C ATOM 888 OE1 GLU A 60 5.814 11.588 0.647 1.00 0.00 O ATOM 889 OE2 GLU A 60 5.763 11.041 2.730 1.00 0.00 O ATOM 0 H GLU A 60 5.783 6.208 -0.114 1.00 0.00 H new ATOM 0 HA GLU A 60 3.827 7.414 -0.010 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.453 9.805 -0.947 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.813 9.850 -0.334 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.544 8.949 1.848 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.171 8.701 1.244 1.00 0.00 H new ATOM 896 N TYR A 61 2.882 8.232 -2.386 1.00 0.00 N ATOM 897 CA TYR A 61 2.373 8.099 -3.773 1.00 0.00 C ATOM 898 C TYR A 61 1.269 9.109 -4.101 1.00 0.00 C ATOM 899 O TYR A 61 1.018 10.045 -3.369 1.00 0.00 O ATOM 900 CB TYR A 61 1.838 6.688 -3.928 1.00 0.00 C ATOM 901 CG TYR A 61 0.820 6.349 -2.860 1.00 0.00 C ATOM 902 CD1 TYR A 61 0.215 7.338 -2.059 1.00 0.00 C ATOM 903 CD2 TYR A 61 0.470 5.011 -2.678 1.00 0.00 C ATOM 904 CE1 TYR A 61 -0.731 6.972 -1.095 1.00 0.00 C ATOM 905 CE2 TYR A 61 -0.469 4.656 -1.722 1.00 0.00 C ATOM 906 CZ TYR A 61 -1.072 5.629 -0.926 1.00 0.00 C ATOM 907 OH TYR A 61 -2.003 5.264 0.026 1.00 0.00 O ATOM 0 H TYR A 61 2.260 8.694 -1.723 1.00 0.00 H new ATOM 0 HA TYR A 61 3.190 8.302 -4.465 1.00 0.00 H new ATOM 0 HB2 TYR A 61 1.382 6.579 -4.912 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.665 5.979 -3.880 1.00 0.00 H new ATOM 0 HD1 TYR A 61 0.481 8.377 -2.189 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.933 4.247 -3.285 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.197 7.729 -0.482 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.736 3.617 -1.593 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.549 6.042 0.265 1.00 0.00 H new ATOM 917 N THR A 62 0.608 8.903 -5.208 1.00 0.00 N ATOM 918 CA THR A 62 -0.495 9.813 -5.626 1.00 0.00 C ATOM 919 C THR A 62 -1.782 8.992 -5.739 1.00 0.00 C ATOM 920 O THR A 62 -1.754 7.839 -6.120 1.00 0.00 O ATOM 921 CB THR A 62 -0.152 10.414 -6.991 1.00 0.00 C ATOM 922 OG1 THR A 62 1.214 10.804 -7.010 1.00 0.00 O ATOM 923 CG2 THR A 62 -1.034 11.634 -7.262 1.00 0.00 C ATOM 0 H THR A 62 0.789 8.131 -5.849 1.00 0.00 H new ATOM 0 HA THR A 62 -0.626 10.614 -4.899 1.00 0.00 H new ATOM 0 HB THR A 62 -0.329 9.666 -7.764 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.433 11.187 -7.885 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.783 12.055 -8.235 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.082 11.334 -7.256 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.866 12.383 -6.488 1.00 0.00 H new ATOM 931 N VAL A 63 -2.910 9.559 -5.405 1.00 0.00 N ATOM 932 CA VAL A 63 -4.176 8.776 -5.493 1.00 0.00 C ATOM 933 C VAL A 63 -4.907 9.092 -6.798 1.00 0.00 C ATOM 934 O VAL A 63 -5.008 10.232 -7.207 1.00 0.00 O ATOM 935 CB VAL A 63 -5.093 9.127 -4.322 1.00 0.00 C ATOM 936 CG1 VAL A 63 -5.614 10.552 -4.491 1.00 0.00 C ATOM 937 CG2 VAL A 63 -6.278 8.158 -4.302 1.00 0.00 C ATOM 0 H VAL A 63 -3.010 10.520 -5.078 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.923 7.716 -5.462 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.536 9.051 -3.388 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.268 10.802 -3.656 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.774 11.246 -4.514 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.173 10.627 -5.424 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.935 8.404 -3.468 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.832 8.241 -5.237 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.912 7.138 -4.186 1.00 0.00 H new ATOM 947 N ASP A 64 -5.438 8.088 -7.439 1.00 0.00 N ATOM 948 CA ASP A 64 -6.187 8.316 -8.698 1.00 0.00 C ATOM 949 C ASP A 64 -7.669 8.079 -8.424 1.00 0.00 C ATOM 950 O ASP A 64 -8.048 7.153 -7.733 1.00 0.00 O ATOM 951 CB ASP A 64 -5.705 7.346 -9.772 1.00 0.00 C ATOM 952 CG ASP A 64 -4.445 7.902 -10.439 1.00 0.00 C ATOM 953 OD1 ASP A 64 -3.697 8.592 -9.767 1.00 0.00 O ATOM 954 OD2 ASP A 64 -4.252 7.631 -11.613 1.00 0.00 O ATOM 0 H ASP A 64 -5.383 7.114 -7.140 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.025 9.335 -9.048 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.495 6.373 -9.329 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.486 7.195 -10.517 1.00 0.00 H new ATOM 959 N VAL A 65 -8.505 8.914 -8.953 1.00 0.00 N ATOM 960 CA VAL A 65 -9.970 8.757 -8.725 1.00 0.00 C ATOM 961 C VAL A 65 -10.663 8.421 -10.047 1.00 0.00 C ATOM 962 O VAL A 65 -10.716 9.226 -10.957 1.00 0.00 O ATOM 963 CB VAL A 65 -10.532 10.062 -8.151 1.00 0.00 C ATOM 964 CG1 VAL A 65 -12.057 10.085 -8.301 1.00 0.00 C ATOM 965 CG2 VAL A 65 -10.165 10.160 -6.669 1.00 0.00 C ATOM 0 H VAL A 65 -8.241 9.706 -9.539 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.149 7.946 -8.019 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.107 10.907 -8.694 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -12.449 11.016 -7.891 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.320 10.015 -9.356 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -12.488 9.241 -7.763 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.563 11.087 -6.256 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -10.590 9.312 -6.132 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -9.080 10.151 -6.561 1.00 0.00 H new ATOM 975 N ALA A 66 -11.191 7.233 -10.158 1.00 0.00 N ATOM 976 CA ALA A 66 -11.881 6.834 -11.417 1.00 0.00 C ATOM 977 C ALA A 66 -13.062 5.918 -11.085 1.00 0.00 C ATOM 978 O ALA A 66 -13.212 5.465 -9.968 1.00 0.00 O ATOM 979 CB ALA A 66 -10.896 6.087 -12.317 1.00 0.00 C ATOM 0 H ALA A 66 -11.174 6.520 -9.429 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.246 7.723 -11.931 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.397 5.793 -13.239 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.054 6.737 -12.553 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.535 5.197 -11.801 1.00 0.00 H new ATOM 985 N ASP A 67 -13.896 5.638 -12.048 1.00 0.00 N ATOM 986 CA ASP A 67 -15.062 4.747 -11.793 1.00 0.00 C ATOM 987 C ASP A 67 -16.081 5.455 -10.899 1.00 0.00 C ATOM 988 O ASP A 67 -16.758 4.831 -10.111 1.00 0.00 O ATOM 989 CB ASP A 67 -14.589 3.475 -11.112 1.00 0.00 C ATOM 990 CG ASP A 67 -15.388 2.284 -11.643 1.00 0.00 C ATOM 991 OD1 ASP A 67 -16.554 2.470 -11.954 1.00 0.00 O ATOM 992 OD2 ASP A 67 -14.823 1.208 -11.730 1.00 0.00 O ATOM 0 H ASP A 67 -13.820 5.989 -13.003 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.534 4.500 -12.744 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.525 3.325 -11.297 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.716 3.559 -10.033 1.00 0.00 H new ATOM 997 N LYS A 68 -16.196 6.753 -11.020 1.00 0.00 N ATOM 998 CA LYS A 68 -17.174 7.516 -10.183 1.00 0.00 C ATOM 999 C LYS A 68 -16.559 7.814 -8.810 1.00 0.00 C ATOM 1000 O LYS A 68 -17.167 8.448 -7.970 1.00 0.00 O ATOM 1001 CB LYS A 68 -18.486 6.703 -10.046 1.00 0.00 C ATOM 1002 CG LYS A 68 -18.644 6.091 -8.640 1.00 0.00 C ATOM 1003 CD LYS A 68 -20.060 5.537 -8.487 1.00 0.00 C ATOM 1004 CE LYS A 68 -20.028 4.014 -8.626 1.00 0.00 C ATOM 1005 NZ LYS A 68 -19.300 3.425 -7.467 1.00 0.00 N ATOM 0 H LYS A 68 -15.651 7.322 -11.667 1.00 0.00 H new ATOM 0 HA LYS A 68 -17.409 8.466 -10.663 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -19.337 7.351 -10.257 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.499 5.907 -10.791 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -17.912 5.297 -8.492 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.452 6.847 -7.878 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -20.468 5.816 -7.516 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -20.715 5.969 -9.244 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -21.044 3.621 -8.669 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -19.537 3.733 -9.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -18.664 2.674 -7.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -18.743 4.165 -6.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -19.985 3.024 -6.794 1.00 0.00 H new ATOM 1019 N GLY A 69 -15.361 7.362 -8.576 1.00 0.00 N ATOM 1020 CA GLY A 69 -14.719 7.614 -7.258 1.00 0.00 C ATOM 1021 C GLY A 69 -14.836 6.348 -6.418 1.00 0.00 C ATOM 1022 O GLY A 69 -15.258 6.379 -5.280 1.00 0.00 O ATOM 0 H GLY A 69 -14.799 6.829 -9.240 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.672 7.885 -7.392 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.203 8.450 -6.754 1.00 0.00 H new ATOM 1026 N TYR A 70 -14.490 5.227 -6.984 1.00 0.00 N ATOM 1027 CA TYR A 70 -14.607 3.959 -6.239 1.00 0.00 C ATOM 1028 C TYR A 70 -13.365 3.092 -6.460 1.00 0.00 C ATOM 1029 O TYR A 70 -12.742 2.640 -5.521 1.00 0.00 O ATOM 1030 CB TYR A 70 -15.839 3.228 -6.738 1.00 0.00 C ATOM 1031 CG TYR A 70 -16.502 2.490 -5.602 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -16.584 3.071 -4.323 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -17.032 1.214 -5.829 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -17.195 2.368 -3.285 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -17.645 0.520 -4.784 1.00 0.00 C ATOM 1036 CZ TYR A 70 -17.721 1.095 -3.521 1.00 0.00 C ATOM 1037 OH TYR A 70 -18.313 0.402 -2.505 1.00 0.00 O ATOM 0 H TYR A 70 -14.131 5.141 -7.935 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.693 4.165 -5.172 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -16.539 3.938 -7.178 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -15.561 2.526 -7.524 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -16.176 4.055 -4.146 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -16.967 0.768 -6.810 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -17.262 2.807 -2.300 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -18.059 -0.462 -4.957 1.00 0.00 H new ATOM 0 HH TYR A 70 -19.006 0.957 -2.091 1.00 0.00 H new ATOM 1047 N THR A 71 -13.003 2.855 -7.690 1.00 0.00 N ATOM 1048 CA THR A 71 -11.802 2.015 -7.964 1.00 0.00 C ATOM 1049 C THR A 71 -10.555 2.899 -7.940 1.00 0.00 C ATOM 1050 O THR A 71 -9.851 3.033 -8.921 1.00 0.00 O ATOM 1051 CB THR A 71 -11.947 1.357 -9.335 1.00 0.00 C ATOM 1052 OG1 THR A 71 -13.066 0.480 -9.320 1.00 0.00 O ATOM 1053 CG2 THR A 71 -10.680 0.566 -9.664 1.00 0.00 C ATOM 0 H THR A 71 -13.486 3.206 -8.517 1.00 0.00 H new ATOM 0 HA THR A 71 -11.710 1.240 -7.203 1.00 0.00 H new ATOM 0 HB THR A 71 -12.096 2.126 -10.093 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.653 0.685 -10.078 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.787 0.098 -10.643 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.823 1.240 -9.676 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.526 -0.204 -8.908 1.00 0.00 H new ATOM 1061 N LEU A 72 -10.286 3.512 -6.820 1.00 0.00 N ATOM 1062 CA LEU A 72 -9.097 4.400 -6.714 1.00 0.00 C ATOM 1063 C LEU A 72 -7.824 3.634 -7.087 1.00 0.00 C ATOM 1064 O LEU A 72 -7.514 2.607 -6.517 1.00 0.00 O ATOM 1065 CB LEU A 72 -8.977 4.915 -5.276 1.00 0.00 C ATOM 1066 CG LEU A 72 -9.232 3.770 -4.295 1.00 0.00 C ATOM 1067 CD1 LEU A 72 -7.945 3.467 -3.525 1.00 0.00 C ATOM 1068 CD2 LEU A 72 -10.328 4.179 -3.308 1.00 0.00 C ATOM 0 H LEU A 72 -10.843 3.434 -5.969 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.218 5.238 -7.401 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.984 5.334 -5.111 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.694 5.718 -5.106 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.548 2.883 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.124 2.651 -2.825 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.161 3.179 -4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.632 4.355 -2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.510 3.363 -2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.010 5.065 -2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.245 4.401 -3.854 1.00 0.00 H new ATOM 1080 N ASN A 73 -7.077 4.144 -8.029 1.00 0.00 N ATOM 1081 CA ASN A 73 -5.809 3.471 -8.434 1.00 0.00 C ATOM 1082 C ASN A 73 -4.659 4.139 -7.689 1.00 0.00 C ATOM 1083 O ASN A 73 -4.497 5.344 -7.717 1.00 0.00 O ATOM 1084 CB ASN A 73 -5.613 3.602 -9.941 1.00 0.00 C ATOM 1085 CG ASN A 73 -5.872 2.244 -10.597 1.00 0.00 C ATOM 1086 OD1 ASN A 73 -5.022 1.715 -11.287 1.00 0.00 O ATOM 1087 ND2 ASN A 73 -7.019 1.651 -10.405 1.00 0.00 N ATOM 0 H ASN A 73 -7.292 5.002 -8.538 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.845 2.410 -8.186 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.293 4.351 -10.345 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.600 3.939 -10.161 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.202 0.744 -10.834 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.732 2.095 -9.826 1.00 0.00 H new ATOM 1094 N ILE A 74 -3.881 3.368 -6.994 1.00 0.00 N ATOM 1095 CA ILE A 74 -2.763 3.946 -6.206 1.00 0.00 C ATOM 1096 C ILE A 74 -1.428 3.745 -6.933 1.00 0.00 C ATOM 1097 O ILE A 74 -0.752 2.753 -6.744 1.00 0.00 O ATOM 1098 CB ILE A 74 -2.738 3.249 -4.855 1.00 0.00 C ATOM 1099 CG1 ILE A 74 -3.956 3.708 -4.049 1.00 0.00 C ATOM 1100 CG2 ILE A 74 -1.465 3.628 -4.112 1.00 0.00 C ATOM 1101 CD1 ILE A 74 -4.877 2.521 -3.773 1.00 0.00 C ATOM 0 H ILE A 74 -3.971 2.354 -6.936 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.910 5.019 -6.079 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.764 2.168 -4.990 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.633 4.155 -3.109 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.497 4.478 -4.599 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.447 3.129 -3.143 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.598 3.320 -4.696 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.438 4.708 -3.964 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.741 2.856 -3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -5.213 2.094 -4.718 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.335 1.765 -3.205 1.00 0.00 H new ATOM 1113 N LYS A 75 -1.035 4.688 -7.751 1.00 0.00 N ATOM 1114 CA LYS A 75 0.264 4.555 -8.474 1.00 0.00 C ATOM 1115 C LYS A 75 1.395 4.985 -7.542 1.00 0.00 C ATOM 1116 O LYS A 75 1.694 6.155 -7.409 1.00 0.00 O ATOM 1117 CB LYS A 75 0.264 5.443 -9.715 1.00 0.00 C ATOM 1118 CG LYS A 75 0.726 4.628 -10.926 1.00 0.00 C ATOM 1119 CD LYS A 75 -0.492 4.160 -11.725 1.00 0.00 C ATOM 1120 CE LYS A 75 -0.263 4.433 -13.214 1.00 0.00 C ATOM 1121 NZ LYS A 75 0.629 3.383 -13.785 1.00 0.00 N ATOM 0 H LYS A 75 -1.557 5.542 -7.949 1.00 0.00 H new ATOM 0 HA LYS A 75 0.405 3.518 -8.780 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.736 5.841 -9.891 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.925 6.297 -9.564 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.377 5.233 -11.557 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.310 3.768 -10.597 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.660 3.096 -11.561 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.386 4.680 -11.383 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.216 4.442 -13.743 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.185 5.417 -13.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.119 3.761 -14.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.330 3.098 -13.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.060 2.557 -14.061 1.00 0.00 H new ATOM 1135 N PHE A 76 2.016 4.049 -6.888 1.00 0.00 N ATOM 1136 CA PHE A 76 3.119 4.397 -5.950 1.00 0.00 C ATOM 1137 C PHE A 76 4.199 5.209 -6.664 1.00 0.00 C ATOM 1138 O PHE A 76 4.339 5.155 -7.870 1.00 0.00 O ATOM 1139 CB PHE A 76 3.723 3.115 -5.382 1.00 0.00 C ATOM 1140 CG PHE A 76 2.878 2.630 -4.233 1.00 0.00 C ATOM 1141 CD1 PHE A 76 3.027 3.200 -2.963 1.00 0.00 C ATOM 1142 CD2 PHE A 76 1.944 1.610 -4.439 1.00 0.00 C ATOM 1143 CE1 PHE A 76 2.243 2.745 -1.898 1.00 0.00 C ATOM 1144 CE2 PHE A 76 1.160 1.157 -3.374 1.00 0.00 C ATOM 1145 CZ PHE A 76 1.307 1.723 -2.105 1.00 0.00 C ATOM 0 H PHE A 76 1.808 3.053 -6.961 1.00 0.00 H new ATOM 0 HA PHE A 76 2.715 5.003 -5.139 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.776 2.350 -6.157 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.743 3.299 -5.045 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.746 3.990 -2.806 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.828 1.173 -5.420 1.00 0.00 H new ATOM 0 HE1 PHE A 76 2.359 3.181 -0.917 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.439 0.368 -3.532 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.699 1.373 -1.284 1.00 0.00 H new ATOM 1155 N ALA A 77 4.963 5.969 -5.920 1.00 0.00 N ATOM 1156 CA ALA A 77 6.033 6.794 -6.546 1.00 0.00 C ATOM 1157 C ALA A 77 6.948 5.901 -7.387 1.00 0.00 C ATOM 1158 O ALA A 77 6.923 5.942 -8.601 1.00 0.00 O ATOM 1159 CB ALA A 77 6.852 7.480 -5.449 1.00 0.00 C ATOM 0 H ALA A 77 4.889 6.052 -4.906 1.00 0.00 H new ATOM 0 HA ALA A 77 5.580 7.549 -7.189 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.636 8.085 -5.905 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.200 8.120 -4.854 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.304 6.725 -4.806 1.00 0.00 H new ATOM 1165 N GLY A 78 7.757 5.097 -6.753 1.00 0.00 N ATOM 1166 CA GLY A 78 8.675 4.207 -7.517 1.00 0.00 C ATOM 1167 C GLY A 78 9.546 3.413 -6.542 1.00 0.00 C ATOM 1168 O GLY A 78 10.081 4.020 -5.629 1.00 0.00 O ATOM 1169 OXT GLY A 78 9.665 2.213 -6.723 1.00 0.00 O ATOM 0 H GLY A 78 7.822 5.018 -5.738 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.100 3.526 -8.144 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.303 4.800 -8.182 1.00 0.00 H new