USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=14 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 32 GLN : amide:sc= -1.08 K(o=-1.1,f=-3.2!) USER MOD Set 1.2: A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 174:sc= -1.91! USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -9.79! C(o=-9.8!,f=-22!) USER MOD Single : A 28 ASN : amide:sc= -1.48! C(o=-1.5!,f=-6.2!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot -179:sc= -6.72! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 122:sc= -3.42! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -5.15! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -15:sc= -3.77! USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -4.84 K(o=-4.8,f=-5.5!) USER MOD Single : A 61 TYR OH : rot -165:sc= -0.902 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot -100:sc= -6.21! USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -1.87 K(o=-1.9,f=-0.024) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 252 N VAL A 18 -21.581 -4.289 -2.579 1.00 0.00 N ATOM 253 CA VAL A 18 -20.876 -3.311 -3.455 1.00 0.00 C ATOM 254 C VAL A 18 -19.459 -3.824 -3.706 1.00 0.00 C ATOM 255 O VAL A 18 -19.124 -4.931 -3.335 1.00 0.00 O ATOM 256 CB VAL A 18 -20.826 -1.945 -2.751 1.00 0.00 C ATOM 257 CG1 VAL A 18 -19.708 -1.938 -1.705 1.00 0.00 C ATOM 258 CG2 VAL A 18 -20.573 -0.840 -3.780 1.00 0.00 C ATOM 0 HA VAL A 18 -21.400 -3.199 -4.404 1.00 0.00 H new ATOM 0 HB VAL A 18 -21.781 -1.766 -2.257 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -19.679 -0.967 -1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -19.897 -2.716 -0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -18.752 -2.126 -2.193 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -20.539 0.126 -3.276 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -19.623 -1.021 -4.282 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -21.377 -0.837 -4.516 1.00 0.00 H new ATOM 268 N THR A 19 -18.618 -3.044 -4.321 1.00 0.00 N ATOM 269 CA THR A 19 -17.236 -3.525 -4.566 1.00 0.00 C ATOM 270 C THR A 19 -16.284 -2.329 -4.692 1.00 0.00 C ATOM 271 O THR A 19 -16.390 -1.524 -5.596 1.00 0.00 O ATOM 272 CB THR A 19 -17.226 -4.382 -5.849 1.00 0.00 C ATOM 273 OG1 THR A 19 -16.397 -5.516 -5.648 1.00 0.00 O ATOM 274 CG2 THR A 19 -16.704 -3.582 -7.051 1.00 0.00 C ATOM 0 H THR A 19 -18.825 -2.105 -4.661 1.00 0.00 H new ATOM 0 HA THR A 19 -16.896 -4.137 -3.731 1.00 0.00 H new ATOM 0 HB THR A 19 -18.249 -4.691 -6.061 1.00 0.00 H new ATOM 0 HG1 THR A 19 -16.464 -6.112 -6.423 1.00 0.00 H new ATOM 0 HG21 THR A 19 -16.710 -4.214 -7.939 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.345 -2.716 -7.218 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.686 -3.247 -6.851 1.00 0.00 H new ATOM 282 N ILE A 20 -15.337 -2.222 -3.806 1.00 0.00 N ATOM 283 CA ILE A 20 -14.367 -1.101 -3.891 1.00 0.00 C ATOM 284 C ILE A 20 -13.011 -1.709 -4.238 1.00 0.00 C ATOM 285 O ILE A 20 -12.731 -2.834 -3.878 1.00 0.00 O ATOM 286 CB ILE A 20 -14.310 -0.370 -2.549 1.00 0.00 C ATOM 287 CG1 ILE A 20 -13.648 0.995 -2.737 1.00 0.00 C ATOM 288 CG2 ILE A 20 -13.516 -1.192 -1.537 1.00 0.00 C ATOM 289 CD1 ILE A 20 -14.354 2.023 -1.854 1.00 0.00 C ATOM 0 H ILE A 20 -15.193 -2.863 -3.026 1.00 0.00 H new ATOM 0 HA ILE A 20 -14.660 -0.376 -4.650 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.325 -0.233 -2.175 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.591 0.939 -2.476 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.702 1.298 -3.783 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -13.482 -0.662 -0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -13.997 -2.160 -1.397 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -12.501 -1.342 -1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -13.885 2.998 -1.985 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.405 2.085 -2.137 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -14.276 1.720 -0.810 1.00 0.00 H new ATOM 301 N LYS A 21 -12.177 -1.020 -4.959 1.00 0.00 N ATOM 302 CA LYS A 21 -10.882 -1.649 -5.322 1.00 0.00 C ATOM 303 C LYS A 21 -9.739 -0.634 -5.341 1.00 0.00 C ATOM 304 O LYS A 21 -9.736 0.313 -6.101 1.00 0.00 O ATOM 305 CB LYS A 21 -11.022 -2.281 -6.707 1.00 0.00 C ATOM 306 CG LYS A 21 -9.680 -2.866 -7.149 1.00 0.00 C ATOM 307 CD LYS A 21 -9.578 -2.813 -8.674 1.00 0.00 C ATOM 308 CE LYS A 21 -9.343 -1.372 -9.126 1.00 0.00 C ATOM 309 NZ LYS A 21 -9.145 -1.344 -10.604 1.00 0.00 N ATOM 0 H LYS A 21 -12.329 -0.073 -5.305 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.641 -2.401 -4.571 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -11.780 -3.064 -6.684 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.357 -1.533 -7.426 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.861 -2.305 -6.699 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.589 -3.896 -6.803 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -8.761 -3.449 -9.016 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.493 -3.200 -9.123 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.194 -0.749 -8.850 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.469 -0.959 -8.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.985 -0.364 -10.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.320 -1.926 -10.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.992 -1.722 -11.075 1.00 0.00 H new ATOM 323 N ALA A 22 -8.740 -0.869 -4.536 1.00 0.00 N ATOM 324 CA ALA A 22 -7.553 0.023 -4.524 1.00 0.00 C ATOM 325 C ALA A 22 -6.541 -0.576 -5.491 1.00 0.00 C ATOM 326 O ALA A 22 -6.866 -1.458 -6.258 1.00 0.00 O ATOM 327 CB ALA A 22 -6.959 0.078 -3.114 1.00 0.00 C ATOM 0 H ALA A 22 -8.698 -1.649 -3.881 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.821 1.038 -4.818 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.088 0.734 -3.111 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -7.706 0.463 -2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.659 -0.924 -2.806 1.00 0.00 H new ATOM 333 N ASN A 23 -5.328 -0.124 -5.479 1.00 0.00 N ATOM 334 CA ASN A 23 -4.338 -0.711 -6.422 1.00 0.00 C ATOM 335 C ASN A 23 -2.920 -0.598 -5.866 1.00 0.00 C ATOM 336 O ASN A 23 -2.578 0.339 -5.179 1.00 0.00 O ATOM 337 CB ASN A 23 -4.433 0.008 -7.763 1.00 0.00 C ATOM 338 CG ASN A 23 -5.239 -0.832 -8.744 1.00 0.00 C ATOM 339 OD1 ASN A 23 -5.586 -1.960 -8.459 1.00 0.00 O ATOM 340 ND2 ASN A 23 -5.562 -0.319 -9.893 1.00 0.00 N ATOM 0 H ASN A 23 -4.977 0.615 -4.869 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.564 -1.769 -6.555 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -4.905 0.982 -7.631 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.434 0.189 -8.160 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.109 -0.864 -10.559 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -5.269 0.629 -10.129 1.00 0.00 H new ATOM 347 N LEU A 24 -2.092 -1.559 -6.172 1.00 0.00 N ATOM 348 CA LEU A 24 -0.686 -1.531 -5.682 1.00 0.00 C ATOM 349 C LEU A 24 0.255 -1.489 -6.891 1.00 0.00 C ATOM 350 O LEU A 24 1.054 -2.380 -7.092 1.00 0.00 O ATOM 351 CB LEU A 24 -0.410 -2.799 -4.877 1.00 0.00 C ATOM 352 CG LEU A 24 -1.339 -2.851 -3.663 1.00 0.00 C ATOM 353 CD1 LEU A 24 -0.837 -3.919 -2.696 1.00 0.00 C ATOM 354 CD2 LEU A 24 -1.341 -1.493 -2.956 1.00 0.00 C ATOM 0 H LEU A 24 -2.332 -2.368 -6.745 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.527 -0.655 -5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.563 -3.679 -5.502 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.630 -2.816 -4.552 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.351 -3.090 -3.990 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.495 -3.962 -1.828 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.831 -4.888 -3.195 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.174 -3.671 -2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.004 -1.534 -2.092 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.330 -1.253 -2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.691 -0.724 -3.645 1.00 0.00 H new ATOM 366 N ILE A 25 0.147 -0.474 -7.710 1.00 0.00 N ATOM 367 CA ILE A 25 1.012 -0.396 -8.927 1.00 0.00 C ATOM 368 C ILE A 25 2.389 0.177 -8.591 1.00 0.00 C ATOM 369 O ILE A 25 2.535 1.355 -8.337 1.00 0.00 O ATOM 370 CB ILE A 25 0.340 0.504 -9.965 1.00 0.00 C ATOM 371 CG1 ILE A 25 -1.079 -0.010 -10.235 1.00 0.00 C ATOM 372 CG2 ILE A 25 1.157 0.484 -11.261 1.00 0.00 C ATOM 373 CD1 ILE A 25 -1.629 0.621 -11.517 1.00 0.00 C ATOM 0 H ILE A 25 -0.502 0.304 -7.589 1.00 0.00 H new ATOM 0 HA ILE A 25 1.142 -1.404 -9.320 1.00 0.00 H new ATOM 0 HB ILE A 25 0.289 1.526 -9.590 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.070 -1.096 -10.329 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.728 0.231 -9.393 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.679 1.125 -12.002 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.165 0.848 -11.061 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.209 -0.536 -11.643 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.637 0.250 -11.701 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.655 1.705 -11.407 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.986 0.357 -12.357 1.00 0.00 H new ATOM 385 N PHE A 26 3.405 -0.642 -8.618 1.00 0.00 N ATOM 386 CA PHE A 26 4.774 -0.139 -8.330 1.00 0.00 C ATOM 387 C PHE A 26 5.465 0.217 -9.639 1.00 0.00 C ATOM 388 O PHE A 26 5.086 -0.229 -10.704 1.00 0.00 O ATOM 389 CB PHE A 26 5.571 -1.206 -7.606 1.00 0.00 C ATOM 390 CG PHE A 26 4.828 -1.622 -6.357 1.00 0.00 C ATOM 391 CD1 PHE A 26 4.646 -0.705 -5.313 1.00 0.00 C ATOM 392 CD2 PHE A 26 4.309 -2.915 -6.248 1.00 0.00 C ATOM 393 CE1 PHE A 26 3.941 -1.082 -4.165 1.00 0.00 C ATOM 394 CE2 PHE A 26 3.606 -3.294 -5.101 1.00 0.00 C ATOM 395 CZ PHE A 26 3.418 -2.377 -4.059 1.00 0.00 C ATOM 0 H PHE A 26 3.344 -1.638 -8.828 1.00 0.00 H new ATOM 0 HA PHE A 26 4.710 0.747 -7.699 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.723 -2.067 -8.257 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.559 -0.825 -7.346 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.050 0.293 -5.395 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.451 -3.623 -7.051 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.800 -0.375 -3.361 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.208 -4.294 -5.018 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.870 -2.668 -3.175 1.00 0.00 H new ATOM 405 N ALA A 27 6.472 1.028 -9.560 1.00 0.00 N ATOM 406 CA ALA A 27 7.204 1.446 -10.788 1.00 0.00 C ATOM 407 C ALA A 27 8.233 0.386 -11.180 1.00 0.00 C ATOM 408 O ALA A 27 8.638 0.296 -12.322 1.00 0.00 O ATOM 409 CB ALA A 27 7.916 2.776 -10.524 1.00 0.00 C ATOM 0 H ALA A 27 6.827 1.426 -8.691 1.00 0.00 H new ATOM 0 HA ALA A 27 6.491 1.563 -11.604 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.453 3.085 -11.421 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.181 3.536 -10.261 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.622 2.654 -9.702 1.00 0.00 H new ATOM 415 N ASN A 28 8.688 -0.397 -10.241 1.00 0.00 N ATOM 416 CA ASN A 28 9.718 -1.419 -10.572 1.00 0.00 C ATOM 417 C ASN A 28 9.236 -2.823 -10.205 1.00 0.00 C ATOM 418 O ASN A 28 8.992 -3.645 -11.067 1.00 0.00 O ATOM 419 CB ASN A 28 10.994 -1.114 -9.790 1.00 0.00 C ATOM 420 CG ASN A 28 10.667 -0.293 -8.539 1.00 0.00 C ATOM 421 OD1 ASN A 28 10.128 0.792 -8.635 1.00 0.00 O ATOM 422 ND2 ASN A 28 10.973 -0.768 -7.364 1.00 0.00 N ATOM 0 H ASN A 28 8.393 -0.373 -9.265 1.00 0.00 H new ATOM 0 HA ASN A 28 9.907 -1.384 -11.645 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.485 -2.044 -9.505 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.693 -0.565 -10.421 1.00 0.00 H new ATOM 0 HD21 ASN A 28 10.760 -0.229 -6.525 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.425 -1.679 -7.284 1.00 0.00 H new ATOM 429 N GLY A 29 9.126 -3.106 -8.932 1.00 0.00 N ATOM 430 CA GLY A 29 8.686 -4.465 -8.489 1.00 0.00 C ATOM 431 C GLY A 29 7.655 -5.033 -9.463 1.00 0.00 C ATOM 432 O GLY A 29 7.995 -5.666 -10.443 1.00 0.00 O ATOM 0 H GLY A 29 9.323 -2.451 -8.176 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.546 -5.132 -8.430 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.258 -4.408 -7.488 1.00 0.00 H new ATOM 436 N SER A 30 6.400 -4.816 -9.202 1.00 0.00 N ATOM 437 CA SER A 30 5.348 -5.346 -10.111 1.00 0.00 C ATOM 438 C SER A 30 4.048 -4.591 -9.861 1.00 0.00 C ATOM 439 O SER A 30 3.680 -4.330 -8.738 1.00 0.00 O ATOM 440 CB SER A 30 5.137 -6.832 -9.827 1.00 0.00 C ATOM 441 OG SER A 30 4.747 -6.999 -8.469 1.00 0.00 O ATOM 0 H SER A 30 6.055 -4.293 -8.397 1.00 0.00 H new ATOM 0 HA SER A 30 5.655 -5.215 -11.149 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.372 -7.236 -10.490 1.00 0.00 H new ATOM 0 HB3 SER A 30 6.055 -7.386 -10.025 1.00 0.00 H new ATOM 0 HG SER A 30 4.609 -7.951 -8.283 1.00 0.00 H new ATOM 447 N THR A 31 3.337 -4.235 -10.889 1.00 0.00 N ATOM 448 CA THR A 31 2.069 -3.496 -10.664 1.00 0.00 C ATOM 449 C THR A 31 0.990 -4.487 -10.227 1.00 0.00 C ATOM 450 O THR A 31 0.873 -5.567 -10.771 1.00 0.00 O ATOM 451 CB THR A 31 1.634 -2.807 -11.960 1.00 0.00 C ATOM 452 OG1 THR A 31 0.494 -2.000 -11.706 1.00 0.00 O ATOM 453 CG2 THR A 31 1.283 -3.862 -13.009 1.00 0.00 C ATOM 0 H THR A 31 3.574 -4.420 -11.864 1.00 0.00 H new ATOM 0 HA THR A 31 2.216 -2.741 -9.891 1.00 0.00 H new ATOM 0 HB THR A 31 2.449 -2.184 -12.329 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.206 -1.570 -12.538 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.974 -3.370 -13.931 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.156 -4.484 -13.205 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.469 -4.485 -12.640 1.00 0.00 H new ATOM 461 N GLN A 32 0.209 -4.139 -9.242 1.00 0.00 N ATOM 462 CA GLN A 32 -0.846 -5.075 -8.773 1.00 0.00 C ATOM 463 C GLN A 32 -2.098 -4.288 -8.402 1.00 0.00 C ATOM 464 O GLN A 32 -2.198 -3.104 -8.660 1.00 0.00 O ATOM 465 CB GLN A 32 -0.339 -5.838 -7.548 1.00 0.00 C ATOM 466 CG GLN A 32 -0.325 -7.337 -7.852 1.00 0.00 C ATOM 467 CD GLN A 32 -1.759 -7.867 -7.886 1.00 0.00 C ATOM 468 OE1 GLN A 32 -2.474 -7.663 -8.848 1.00 0.00 O ATOM 469 NE2 GLN A 32 -2.214 -8.546 -6.869 1.00 0.00 N ATOM 0 H GLN A 32 0.257 -3.250 -8.744 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.086 -5.781 -9.568 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.663 -5.500 -7.285 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.979 -5.636 -6.689 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.164 -7.520 -8.809 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.251 -7.867 -7.094 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.615 -8.718 -6.061 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.169 -8.905 -6.882 1.00 0.00 H new ATOM 478 N THR A 33 -3.061 -4.934 -7.810 1.00 0.00 N ATOM 479 CA THR A 33 -4.305 -4.226 -7.440 1.00 0.00 C ATOM 480 C THR A 33 -4.714 -4.593 -6.009 1.00 0.00 C ATOM 481 O THR A 33 -4.060 -5.364 -5.336 1.00 0.00 O ATOM 482 CB THR A 33 -5.412 -4.660 -8.395 1.00 0.00 C ATOM 483 OG1 THR A 33 -5.455 -6.079 -8.449 1.00 0.00 O ATOM 484 CG2 THR A 33 -5.140 -4.101 -9.793 1.00 0.00 C ATOM 0 H THR A 33 -3.036 -5.924 -7.568 1.00 0.00 H new ATOM 0 HA THR A 33 -4.143 -3.150 -7.501 1.00 0.00 H new ATOM 0 HB THR A 33 -6.369 -4.278 -8.038 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.167 -6.362 -9.061 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.934 -4.414 -10.471 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.108 -3.012 -9.750 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.184 -4.478 -10.156 1.00 0.00 H new ATOM 492 N ALA A 34 -5.812 -4.056 -5.560 1.00 0.00 N ATOM 493 CA ALA A 34 -6.314 -4.366 -4.190 1.00 0.00 C ATOM 494 C ALA A 34 -7.838 -4.426 -4.256 1.00 0.00 C ATOM 495 O ALA A 34 -8.444 -3.809 -5.106 1.00 0.00 O ATOM 496 CB ALA A 34 -5.886 -3.269 -3.216 1.00 0.00 C ATOM 0 H ALA A 34 -6.392 -3.406 -6.090 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.905 -5.315 -3.843 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.257 -3.503 -2.218 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.798 -3.207 -3.193 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.297 -2.313 -3.541 1.00 0.00 H new ATOM 502 N GLU A 35 -8.477 -5.168 -3.395 1.00 0.00 N ATOM 503 CA GLU A 35 -9.961 -5.241 -3.480 1.00 0.00 C ATOM 504 C GLU A 35 -10.581 -5.562 -2.119 1.00 0.00 C ATOM 505 O GLU A 35 -10.329 -6.600 -1.536 1.00 0.00 O ATOM 506 CB GLU A 35 -10.351 -6.342 -4.472 1.00 0.00 C ATOM 507 CG GLU A 35 -11.183 -5.753 -5.612 1.00 0.00 C ATOM 508 CD GLU A 35 -12.092 -6.837 -6.192 1.00 0.00 C ATOM 509 OE1 GLU A 35 -11.796 -8.003 -5.987 1.00 0.00 O ATOM 510 OE2 GLU A 35 -13.067 -6.484 -6.835 1.00 0.00 O ATOM 0 H GLU A 35 -8.046 -5.717 -2.651 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.333 -4.271 -3.810 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.455 -6.815 -4.873 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.920 -7.118 -3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -11.782 -4.919 -5.246 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.528 -5.359 -6.389 1.00 0.00 H new ATOM 517 N PHE A 36 -11.441 -4.704 -1.642 1.00 0.00 N ATOM 518 CA PHE A 36 -12.141 -4.973 -0.360 1.00 0.00 C ATOM 519 C PHE A 36 -13.611 -4.600 -0.543 1.00 0.00 C ATOM 520 O PHE A 36 -13.994 -3.453 -0.434 1.00 0.00 O ATOM 521 CB PHE A 36 -11.560 -4.181 0.815 1.00 0.00 C ATOM 522 CG PHE A 36 -10.435 -3.248 0.413 1.00 0.00 C ATOM 523 CD1 PHE A 36 -10.584 -2.349 -0.649 1.00 0.00 C ATOM 524 CD2 PHE A 36 -9.245 -3.264 1.152 1.00 0.00 C ATOM 525 CE1 PHE A 36 -9.539 -1.471 -0.975 1.00 0.00 C ATOM 526 CE2 PHE A 36 -8.204 -2.386 0.831 1.00 0.00 C ATOM 527 CZ PHE A 36 -8.346 -1.492 -0.230 1.00 0.00 C ATOM 0 H PHE A 36 -11.689 -3.822 -2.091 1.00 0.00 H new ATOM 0 HA PHE A 36 -12.016 -6.029 -0.118 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.356 -3.600 1.281 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.192 -4.879 1.568 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -11.502 -2.331 -1.217 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.131 -3.957 1.973 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.651 -0.780 -1.797 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.290 -2.401 1.405 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.541 -0.817 -0.479 1.00 0.00 H new ATOM 537 N LYS A 37 -14.432 -5.565 -0.843 1.00 0.00 N ATOM 538 CA LYS A 37 -15.876 -5.282 -1.066 1.00 0.00 C ATOM 539 C LYS A 37 -16.615 -5.234 0.274 1.00 0.00 C ATOM 540 O LYS A 37 -16.064 -5.549 1.310 1.00 0.00 O ATOM 541 CB LYS A 37 -16.464 -6.379 -1.955 1.00 0.00 C ATOM 542 CG LYS A 37 -15.420 -6.796 -3.005 1.00 0.00 C ATOM 543 CD LYS A 37 -15.964 -7.878 -3.957 1.00 0.00 C ATOM 544 CE LYS A 37 -17.351 -8.371 -3.520 1.00 0.00 C ATOM 545 NZ LYS A 37 -17.911 -9.272 -4.567 1.00 0.00 N ATOM 0 H LYS A 37 -14.164 -6.544 -0.944 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.990 -4.315 -1.556 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.751 -7.239 -1.350 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.368 -6.019 -2.447 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.117 -5.923 -3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.528 -7.170 -2.502 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.022 -7.477 -4.969 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.271 -8.719 -3.987 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -17.278 -8.901 -2.570 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -18.017 -7.523 -3.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -18.850 -9.606 -4.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -17.995 -8.752 -5.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -17.279 -10.087 -4.698 1.00 0.00 H new ATOM 559 N GLY A 38 -17.859 -4.830 0.264 1.00 0.00 N ATOM 560 CA GLY A 38 -18.627 -4.751 1.543 1.00 0.00 C ATOM 561 C GLY A 38 -19.014 -3.296 1.811 1.00 0.00 C ATOM 562 O GLY A 38 -19.750 -2.692 1.055 1.00 0.00 O ATOM 0 H GLY A 38 -18.375 -4.552 -0.571 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.521 -5.372 1.483 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.026 -5.137 2.366 1.00 0.00 H new ATOM 566 N THR A 39 -18.515 -2.720 2.872 1.00 0.00 N ATOM 567 CA THR A 39 -18.850 -1.299 3.161 1.00 0.00 C ATOM 568 C THR A 39 -18.647 -0.495 1.882 1.00 0.00 C ATOM 569 O THR A 39 -18.152 -1.008 0.898 1.00 0.00 O ATOM 570 CB THR A 39 -17.921 -0.765 4.251 1.00 0.00 C ATOM 571 OG1 THR A 39 -18.318 0.553 4.601 1.00 0.00 O ATOM 572 CG2 THR A 39 -16.487 -0.749 3.723 1.00 0.00 C ATOM 0 H THR A 39 -17.895 -3.169 3.545 1.00 0.00 H new ATOM 0 HA THR A 39 -19.882 -1.216 3.503 1.00 0.00 H new ATOM 0 HB THR A 39 -17.976 -1.404 5.132 1.00 0.00 H new ATOM 0 HG1 THR A 39 -18.526 0.589 5.558 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.819 -0.369 4.496 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.188 -1.761 3.451 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.430 -0.105 2.845 1.00 0.00 H new ATOM 580 N PHE A 40 -19.019 0.752 1.867 1.00 0.00 N ATOM 581 CA PHE A 40 -18.829 1.536 0.620 1.00 0.00 C ATOM 582 C PHE A 40 -17.555 2.375 0.690 1.00 0.00 C ATOM 583 O PHE A 40 -16.498 1.952 0.260 1.00 0.00 O ATOM 584 CB PHE A 40 -20.020 2.452 0.372 1.00 0.00 C ATOM 585 CG PHE A 40 -19.741 3.263 -0.868 1.00 0.00 C ATOM 586 CD1 PHE A 40 -19.911 2.683 -2.131 1.00 0.00 C ATOM 587 CD2 PHE A 40 -19.292 4.586 -0.759 1.00 0.00 C ATOM 588 CE1 PHE A 40 -19.634 3.426 -3.285 1.00 0.00 C ATOM 589 CE2 PHE A 40 -19.013 5.326 -1.913 1.00 0.00 C ATOM 590 CZ PHE A 40 -19.184 4.746 -3.176 1.00 0.00 C ATOM 0 H PHE A 40 -19.439 1.255 2.649 1.00 0.00 H new ATOM 0 HA PHE A 40 -18.743 0.826 -0.203 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -20.930 1.866 0.246 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -20.179 3.108 1.228 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -20.256 1.663 -2.215 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -19.161 5.034 0.215 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -19.768 2.980 -4.259 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -18.666 6.345 -1.830 1.00 0.00 H new ATOM 0 HZ PHE A 40 -18.968 5.318 -4.066 1.00 0.00 H new ATOM 600 N GLU A 41 -17.644 3.568 1.199 1.00 0.00 N ATOM 601 CA GLU A 41 -16.442 4.437 1.264 1.00 0.00 C ATOM 602 C GLU A 41 -15.604 4.067 2.486 1.00 0.00 C ATOM 603 O GLU A 41 -14.457 4.449 2.602 1.00 0.00 O ATOM 604 CB GLU A 41 -16.887 5.894 1.328 1.00 0.00 C ATOM 605 CG GLU A 41 -15.664 6.813 1.304 1.00 0.00 C ATOM 606 CD GLU A 41 -16.026 8.157 1.935 1.00 0.00 C ATOM 607 OE1 GLU A 41 -16.529 9.009 1.221 1.00 0.00 O ATOM 608 OE2 GLU A 41 -15.797 8.312 3.124 1.00 0.00 O ATOM 0 H GLU A 41 -18.499 3.980 1.573 1.00 0.00 H new ATOM 0 HA GLU A 41 -15.827 4.295 0.376 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.540 6.121 0.486 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -17.465 6.067 2.236 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -14.839 6.353 1.849 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -15.326 6.960 0.278 1.00 0.00 H new ATOM 615 N LYS A 42 -16.153 3.303 3.387 1.00 0.00 N ATOM 616 CA LYS A 42 -15.368 2.887 4.570 1.00 0.00 C ATOM 617 C LYS A 42 -14.146 2.121 4.062 1.00 0.00 C ATOM 618 O LYS A 42 -13.084 2.147 4.652 1.00 0.00 O ATOM 619 CB LYS A 42 -16.227 1.992 5.464 1.00 0.00 C ATOM 620 CG LYS A 42 -15.907 2.272 6.931 1.00 0.00 C ATOM 621 CD LYS A 42 -16.757 3.447 7.416 1.00 0.00 C ATOM 622 CE LYS A 42 -17.371 3.109 8.774 1.00 0.00 C ATOM 623 NZ LYS A 42 -16.735 3.949 9.827 1.00 0.00 N ATOM 0 H LYS A 42 -17.110 2.951 3.352 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.054 3.750 5.157 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -17.284 2.175 5.271 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.038 0.943 5.234 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.110 1.388 7.535 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.848 2.502 7.047 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.143 4.344 7.496 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -17.544 3.663 6.693 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -18.447 3.285 8.753 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -17.225 2.052 8.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -17.152 3.720 10.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.713 3.760 9.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.896 4.954 9.614 1.00 0.00 H new ATOM 637 N ALA A 43 -14.296 1.463 2.940 1.00 0.00 N ATOM 638 CA ALA A 43 -13.160 0.713 2.339 1.00 0.00 C ATOM 639 C ALA A 43 -12.293 1.705 1.573 1.00 0.00 C ATOM 640 O ALA A 43 -11.121 1.490 1.369 1.00 0.00 O ATOM 641 CB ALA A 43 -13.695 -0.350 1.377 1.00 0.00 C ATOM 0 H ALA A 43 -15.168 1.415 2.412 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.578 0.220 3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.860 -0.897 0.939 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.337 -1.043 1.921 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.269 0.132 0.585 1.00 0.00 H new ATOM 647 N THR A 44 -12.870 2.797 1.156 1.00 0.00 N ATOM 648 CA THR A 44 -12.085 3.823 0.413 1.00 0.00 C ATOM 649 C THR A 44 -11.001 4.383 1.339 1.00 0.00 C ATOM 650 O THR A 44 -9.876 4.598 0.934 1.00 0.00 O ATOM 651 CB THR A 44 -13.026 4.945 -0.044 1.00 0.00 C ATOM 652 OG1 THR A 44 -13.660 4.558 -1.255 1.00 0.00 O ATOM 653 CG2 THR A 44 -12.241 6.243 -0.273 1.00 0.00 C ATOM 0 H THR A 44 -13.854 3.024 1.298 1.00 0.00 H new ATOM 0 HA THR A 44 -11.614 3.378 -0.464 1.00 0.00 H new ATOM 0 HB THR A 44 -13.773 5.119 0.731 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.264 5.271 -1.550 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.924 7.029 -0.597 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.756 6.544 0.656 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.485 6.080 -1.041 1.00 0.00 H new ATOM 661 N SER A 45 -11.329 4.617 2.582 1.00 0.00 N ATOM 662 CA SER A 45 -10.314 5.155 3.530 1.00 0.00 C ATOM 663 C SER A 45 -9.415 4.010 3.993 1.00 0.00 C ATOM 664 O SER A 45 -8.217 4.044 3.810 1.00 0.00 O ATOM 665 CB SER A 45 -11.016 5.781 4.735 1.00 0.00 C ATOM 666 OG SER A 45 -10.171 6.772 5.306 1.00 0.00 O ATOM 0 H SER A 45 -12.255 4.459 2.980 1.00 0.00 H new ATOM 0 HA SER A 45 -9.713 5.918 3.035 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.963 6.226 4.429 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.248 5.014 5.474 1.00 0.00 H new ATOM 0 HG SER A 45 -10.618 7.177 6.078 1.00 0.00 H new ATOM 672 N GLU A 46 -9.979 2.986 4.576 1.00 0.00 N ATOM 673 CA GLU A 46 -9.136 1.844 5.025 1.00 0.00 C ATOM 674 C GLU A 46 -8.278 1.379 3.847 1.00 0.00 C ATOM 675 O GLU A 46 -7.217 0.813 4.018 1.00 0.00 O ATOM 676 CB GLU A 46 -10.026 0.700 5.500 1.00 0.00 C ATOM 677 CG GLU A 46 -9.834 0.497 7.004 1.00 0.00 C ATOM 678 CD GLU A 46 -10.784 1.422 7.769 1.00 0.00 C ATOM 679 OE1 GLU A 46 -10.560 2.621 7.745 1.00 0.00 O ATOM 680 OE2 GLU A 46 -11.719 0.914 8.366 1.00 0.00 O ATOM 0 H GLU A 46 -10.978 2.892 4.759 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.496 2.156 5.851 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.071 0.923 5.282 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.777 -0.216 4.964 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.029 -0.542 7.269 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.801 0.709 7.281 1.00 0.00 H new ATOM 687 N ALA A 47 -8.729 1.641 2.649 1.00 0.00 N ATOM 688 CA ALA A 47 -7.947 1.247 1.443 1.00 0.00 C ATOM 689 C ALA A 47 -6.853 2.287 1.229 1.00 0.00 C ATOM 690 O ALA A 47 -5.720 1.969 0.933 1.00 0.00 O ATOM 691 CB ALA A 47 -8.860 1.216 0.217 1.00 0.00 C ATOM 0 H ALA A 47 -9.611 2.114 2.454 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.515 0.257 1.585 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.281 0.927 -0.660 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.660 0.494 0.378 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.290 2.205 0.059 1.00 0.00 H new ATOM 697 N TYR A 48 -7.192 3.533 1.400 1.00 0.00 N ATOM 698 CA TYR A 48 -6.186 4.609 1.241 1.00 0.00 C ATOM 699 C TYR A 48 -5.030 4.309 2.184 1.00 0.00 C ATOM 700 O TYR A 48 -3.883 4.595 1.908 1.00 0.00 O ATOM 701 CB TYR A 48 -6.831 5.942 1.606 1.00 0.00 C ATOM 702 CG TYR A 48 -6.294 7.041 0.719 1.00 0.00 C ATOM 703 CD1 TYR A 48 -4.913 7.218 0.569 1.00 0.00 C ATOM 704 CD2 TYR A 48 -7.185 7.892 0.054 1.00 0.00 C ATOM 705 CE1 TYR A 48 -4.425 8.245 -0.246 1.00 0.00 C ATOM 706 CE2 TYR A 48 -6.697 8.916 -0.762 1.00 0.00 C ATOM 707 CZ TYR A 48 -5.317 9.095 -0.912 1.00 0.00 C ATOM 708 OH TYR A 48 -4.836 10.110 -1.712 1.00 0.00 O ATOM 0 H TYR A 48 -8.130 3.851 1.645 1.00 0.00 H new ATOM 0 HA TYR A 48 -5.823 4.661 0.215 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.913 5.873 1.497 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.630 6.177 2.651 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.225 6.562 1.082 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -8.250 7.757 0.172 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.360 8.382 -0.362 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.385 9.570 -1.277 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.885 10.253 -1.522 1.00 0.00 H new ATOM 718 N ALA A 49 -5.339 3.703 3.290 1.00 0.00 N ATOM 719 CA ALA A 49 -4.286 3.333 4.268 1.00 0.00 C ATOM 720 C ALA A 49 -3.631 2.040 3.788 1.00 0.00 C ATOM 721 O ALA A 49 -2.471 1.788 4.034 1.00 0.00 O ATOM 722 CB ALA A 49 -4.917 3.121 5.648 1.00 0.00 C ATOM 0 H ALA A 49 -6.288 3.445 3.562 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.541 4.125 4.346 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.142 2.849 6.365 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.403 4.041 5.971 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.655 2.321 5.591 1.00 0.00 H new ATOM 728 N TYR A 50 -4.372 1.224 3.085 1.00 0.00 N ATOM 729 CA TYR A 50 -3.799 -0.044 2.566 1.00 0.00 C ATOM 730 C TYR A 50 -2.524 0.274 1.782 1.00 0.00 C ATOM 731 O TYR A 50 -1.520 -0.400 1.900 1.00 0.00 O ATOM 732 CB TYR A 50 -4.822 -0.707 1.644 1.00 0.00 C ATOM 733 CG TYR A 50 -4.310 -2.051 1.198 1.00 0.00 C ATOM 734 CD1 TYR A 50 -3.723 -2.917 2.126 1.00 0.00 C ATOM 735 CD2 TYR A 50 -4.425 -2.431 -0.142 1.00 0.00 C ATOM 736 CE1 TYR A 50 -3.250 -4.167 1.711 1.00 0.00 C ATOM 737 CE2 TYR A 50 -3.954 -3.679 -0.558 1.00 0.00 C ATOM 738 CZ TYR A 50 -3.365 -4.549 0.369 1.00 0.00 C ATOM 739 OH TYR A 50 -2.898 -5.781 -0.040 1.00 0.00 O ATOM 0 H TYR A 50 -5.351 1.385 2.850 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.561 -0.718 3.389 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.772 -0.824 2.165 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -5.009 -0.073 0.777 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.635 -2.622 3.161 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.878 -1.760 -0.856 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.796 -4.837 2.426 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.044 -3.973 -1.593 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.056 -5.888 -1.001 1.00 0.00 H new ATOM 749 N ALA A 51 -2.562 1.304 0.982 1.00 0.00 N ATOM 750 CA ALA A 51 -1.362 1.687 0.180 1.00 0.00 C ATOM 751 C ALA A 51 -0.278 2.274 1.093 1.00 0.00 C ATOM 752 O ALA A 51 0.889 1.964 0.960 1.00 0.00 O ATOM 753 CB ALA A 51 -1.771 2.729 -0.863 1.00 0.00 C ATOM 0 H ALA A 51 -3.378 1.902 0.848 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.962 0.801 -0.314 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.900 3.014 -1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.532 2.307 -1.520 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.173 3.609 -0.360 1.00 0.00 H new ATOM 759 N ASP A 52 -0.650 3.122 2.010 1.00 0.00 N ATOM 760 CA ASP A 52 0.366 3.730 2.919 1.00 0.00 C ATOM 761 C ASP A 52 1.000 2.644 3.795 1.00 0.00 C ATOM 762 O ASP A 52 2.151 2.293 3.630 1.00 0.00 O ATOM 763 CB ASP A 52 -0.310 4.772 3.810 1.00 0.00 C ATOM 764 CG ASP A 52 0.699 5.858 4.181 1.00 0.00 C ATOM 765 OD1 ASP A 52 1.366 6.350 3.285 1.00 0.00 O ATOM 766 OD2 ASP A 52 0.788 6.181 5.354 1.00 0.00 O ATOM 0 H ASP A 52 -1.612 3.421 2.171 1.00 0.00 H new ATOM 0 HA ASP A 52 1.143 4.206 2.321 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.161 5.213 3.290 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.698 4.298 4.712 1.00 0.00 H new ATOM 771 N THR A 53 0.254 2.114 4.726 1.00 0.00 N ATOM 772 CA THR A 53 0.798 1.053 5.623 1.00 0.00 C ATOM 773 C THR A 53 1.681 0.085 4.826 1.00 0.00 C ATOM 774 O THR A 53 2.579 -0.527 5.368 1.00 0.00 O ATOM 775 CB THR A 53 -0.364 0.280 6.248 1.00 0.00 C ATOM 776 OG1 THR A 53 -1.118 1.152 7.080 1.00 0.00 O ATOM 777 CG2 THR A 53 0.177 -0.881 7.082 1.00 0.00 C ATOM 0 H THR A 53 -0.716 2.372 4.905 1.00 0.00 H new ATOM 0 HA THR A 53 1.399 1.519 6.403 1.00 0.00 H new ATOM 0 HB THR A 53 -1.003 -0.113 5.457 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.864 0.658 7.480 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.654 -1.429 7.525 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.753 -1.550 6.443 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.819 -0.493 7.873 1.00 0.00 H new ATOM 785 N LEU A 54 1.437 -0.059 3.548 1.00 0.00 N ATOM 786 CA LEU A 54 2.269 -0.986 2.725 1.00 0.00 C ATOM 787 C LEU A 54 3.736 -0.830 3.129 1.00 0.00 C ATOM 788 O LEU A 54 4.368 -1.762 3.581 1.00 0.00 O ATOM 789 CB LEU A 54 2.096 -0.642 1.240 1.00 0.00 C ATOM 790 CG LEU A 54 2.833 -1.664 0.367 1.00 0.00 C ATOM 791 CD1 LEU A 54 2.589 -3.079 0.893 1.00 0.00 C ATOM 792 CD2 LEU A 54 2.315 -1.568 -1.071 1.00 0.00 C ATOM 0 H LEU A 54 0.697 0.426 3.040 1.00 0.00 H new ATOM 0 HA LEU A 54 1.955 -2.016 2.891 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.037 -0.631 0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.482 0.359 1.044 1.00 0.00 H new ATOM 0 HG LEU A 54 3.901 -1.450 0.395 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.117 -3.797 0.265 1.00 0.00 H new ATOM 0 HD12 LEU A 54 2.955 -3.155 1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.521 -3.296 0.872 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.837 -2.293 -1.695 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.246 -1.778 -1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.493 -0.564 -1.456 1.00 0.00 H new ATOM 804 N LYS A 55 4.269 0.352 2.985 1.00 0.00 N ATOM 805 CA LYS A 55 5.691 0.594 3.375 1.00 0.00 C ATOM 806 C LYS A 55 6.561 -0.603 2.980 1.00 0.00 C ATOM 807 O LYS A 55 7.578 -0.866 3.592 1.00 0.00 O ATOM 808 CB LYS A 55 5.774 0.795 4.889 1.00 0.00 C ATOM 809 CG LYS A 55 7.173 1.290 5.262 1.00 0.00 C ATOM 810 CD LYS A 55 7.083 2.707 5.830 1.00 0.00 C ATOM 811 CE LYS A 55 8.007 3.636 5.041 1.00 0.00 C ATOM 812 NZ LYS A 55 8.622 4.632 5.964 1.00 0.00 N ATOM 0 H LYS A 55 3.780 1.166 2.612 1.00 0.00 H new ATOM 0 HA LYS A 55 6.052 1.484 2.859 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.023 1.516 5.213 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.559 -0.142 5.403 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.622 0.621 5.996 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.819 1.280 4.384 1.00 0.00 H new ATOM 0 HD2 LYS A 55 6.056 3.067 5.775 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.365 2.706 6.883 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.785 3.056 4.545 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.444 4.148 4.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.250 5.263 5.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 7.873 5.193 6.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.173 4.136 6.693 1.00 0.00 H new ATOM 826 N LYS A 56 6.181 -1.327 1.966 1.00 0.00 N ATOM 827 CA LYS A 56 7.003 -2.496 1.544 1.00 0.00 C ATOM 828 C LYS A 56 8.216 -1.990 0.760 1.00 0.00 C ATOM 829 O LYS A 56 9.337 -2.036 1.225 1.00 0.00 O ATOM 830 CB LYS A 56 6.168 -3.419 0.652 1.00 0.00 C ATOM 831 CG LYS A 56 7.048 -4.559 0.136 1.00 0.00 C ATOM 832 CD LYS A 56 6.647 -5.869 0.818 1.00 0.00 C ATOM 833 CE LYS A 56 5.598 -6.585 -0.034 1.00 0.00 C ATOM 834 NZ LYS A 56 5.857 -8.053 -0.018 1.00 0.00 N ATOM 0 H LYS A 56 5.340 -1.162 1.412 1.00 0.00 H new ATOM 0 HA LYS A 56 7.332 -3.051 2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.325 -3.821 1.214 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.754 -2.857 -0.185 1.00 0.00 H new ATOM 0 HG2 LYS A 56 6.942 -4.653 -0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.097 -4.340 0.335 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.522 -6.506 0.949 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.248 -5.667 1.812 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.599 -6.378 0.351 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.629 -6.211 -1.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.143 -8.538 -0.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.804 -8.243 -0.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.806 -8.404 0.960 1.00 0.00 H new ATOM 848 N ASP A 57 7.988 -1.500 -0.423 1.00 0.00 N ATOM 849 CA ASP A 57 9.101 -0.973 -1.258 1.00 0.00 C ATOM 850 C ASP A 57 8.484 -0.078 -2.324 1.00 0.00 C ATOM 851 O ASP A 57 8.840 -0.123 -3.485 1.00 0.00 O ATOM 852 CB ASP A 57 9.843 -2.134 -1.923 1.00 0.00 C ATOM 853 CG ASP A 57 11.064 -1.595 -2.670 1.00 0.00 C ATOM 854 OD1 ASP A 57 12.018 -1.218 -2.009 1.00 0.00 O ATOM 855 OD2 ASP A 57 11.025 -1.569 -3.888 1.00 0.00 O ATOM 0 H ASP A 57 7.065 -1.441 -0.854 1.00 0.00 H new ATOM 0 HA ASP A 57 9.811 -0.415 -0.648 1.00 0.00 H new ATOM 0 HB2 ASP A 57 10.154 -2.860 -1.171 1.00 0.00 H new ATOM 0 HB3 ASP A 57 9.181 -2.655 -2.614 1.00 0.00 H new ATOM 860 N ASN A 58 7.531 0.716 -1.929 1.00 0.00 N ATOM 861 CA ASN A 58 6.836 1.607 -2.896 1.00 0.00 C ATOM 862 C ASN A 58 7.537 2.968 -2.939 1.00 0.00 C ATOM 863 O ASN A 58 8.262 3.272 -3.866 1.00 0.00 O ATOM 864 CB ASN A 58 5.381 1.797 -2.462 1.00 0.00 C ATOM 865 CG ASN A 58 4.975 0.707 -1.464 1.00 0.00 C ATOM 866 OD1 ASN A 58 5.126 -0.468 -1.736 1.00 0.00 O ATOM 867 ND2 ASN A 58 4.468 1.051 -0.309 1.00 0.00 N ATOM 0 H ASN A 58 7.200 0.786 -0.967 1.00 0.00 H new ATOM 0 HA ASN A 58 6.864 1.154 -3.887 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.256 2.780 -2.008 1.00 0.00 H new ATOM 0 HB3 ASN A 58 4.727 1.763 -3.334 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.199 0.333 0.364 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.341 2.037 -0.081 1.00 0.00 H new ATOM 874 N GLY A 59 7.329 3.790 -1.945 1.00 0.00 N ATOM 875 CA GLY A 59 7.986 5.129 -1.936 1.00 0.00 C ATOM 876 C GLY A 59 6.936 6.216 -2.140 1.00 0.00 C ATOM 877 O GLY A 59 7.143 7.172 -2.861 1.00 0.00 O ATOM 0 H GLY A 59 6.734 3.593 -1.141 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.505 5.284 -0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.737 5.182 -2.724 1.00 0.00 H new ATOM 881 N GLU A 60 5.812 6.064 -1.512 1.00 0.00 N ATOM 882 CA GLU A 60 4.720 7.068 -1.650 1.00 0.00 C ATOM 883 C GLU A 60 4.011 6.849 -2.984 1.00 0.00 C ATOM 884 O GLU A 60 4.498 6.141 -3.841 1.00 0.00 O ATOM 885 CB GLU A 60 5.303 8.481 -1.597 1.00 0.00 C ATOM 886 CG GLU A 60 6.333 8.560 -0.469 1.00 0.00 C ATOM 887 CD GLU A 60 6.139 9.863 0.309 1.00 0.00 C ATOM 888 OE1 GLU A 60 5.055 10.418 0.237 1.00 0.00 O ATOM 889 OE2 GLU A 60 7.079 10.285 0.963 1.00 0.00 O ATOM 0 H GLU A 60 5.596 5.278 -0.899 1.00 0.00 H new ATOM 0 HA GLU A 60 4.009 6.951 -0.832 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.770 8.730 -2.550 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.509 9.209 -1.431 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.223 7.706 0.199 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.342 8.516 -0.880 1.00 0.00 H new ATOM 896 N TYR A 61 2.858 7.431 -3.163 1.00 0.00 N ATOM 897 CA TYR A 61 2.125 7.224 -4.444 1.00 0.00 C ATOM 898 C TYR A 61 1.088 8.323 -4.667 1.00 0.00 C ATOM 899 O TYR A 61 0.799 9.116 -3.793 1.00 0.00 O ATOM 900 CB TYR A 61 1.401 5.884 -4.388 1.00 0.00 C ATOM 901 CG TYR A 61 0.611 5.800 -3.104 1.00 0.00 C ATOM 902 CD1 TYR A 61 1.226 5.325 -1.944 1.00 0.00 C ATOM 903 CD2 TYR A 61 -0.734 6.188 -3.075 1.00 0.00 C ATOM 904 CE1 TYR A 61 0.504 5.231 -0.756 1.00 0.00 C ATOM 905 CE2 TYR A 61 -1.461 6.093 -1.885 1.00 0.00 C ATOM 906 CZ TYR A 61 -0.843 5.616 -0.722 1.00 0.00 C ATOM 907 OH TYR A 61 -1.560 5.519 0.453 1.00 0.00 O ATOM 0 H TYR A 61 2.394 8.036 -2.485 1.00 0.00 H new ATOM 0 HA TYR A 61 2.846 7.247 -5.261 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.736 5.780 -5.246 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.120 5.066 -4.441 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.265 5.030 -1.968 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -1.209 6.560 -3.971 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.983 4.861 0.139 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.500 6.388 -1.862 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.518 5.588 0.258 1.00 0.00 H new ATOM 917 N THR A 62 0.507 8.344 -5.836 1.00 0.00 N ATOM 918 CA THR A 62 -0.539 9.353 -6.147 1.00 0.00 C ATOM 919 C THR A 62 -1.900 8.659 -6.090 1.00 0.00 C ATOM 920 O THR A 62 -2.034 7.509 -6.461 1.00 0.00 O ATOM 921 CB THR A 62 -0.311 9.914 -7.553 1.00 0.00 C ATOM 922 OG1 THR A 62 -1.273 10.925 -7.820 1.00 0.00 O ATOM 923 CG2 THR A 62 -0.453 8.786 -8.577 1.00 0.00 C ATOM 0 H THR A 62 0.717 7.696 -6.596 1.00 0.00 H new ATOM 0 HA THR A 62 -0.499 10.172 -5.429 1.00 0.00 H new ATOM 0 HB THR A 62 0.690 10.341 -7.620 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.127 11.286 -8.719 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.291 9.182 -9.579 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.285 8.011 -8.370 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.454 8.360 -8.512 1.00 0.00 H new ATOM 931 N VAL A 63 -2.908 9.332 -5.620 1.00 0.00 N ATOM 932 CA VAL A 63 -4.248 8.689 -5.531 1.00 0.00 C ATOM 933 C VAL A 63 -5.083 9.034 -6.761 1.00 0.00 C ATOM 934 O VAL A 63 -5.464 10.171 -6.963 1.00 0.00 O ATOM 935 CB VAL A 63 -4.966 9.199 -4.285 1.00 0.00 C ATOM 936 CG1 VAL A 63 -5.225 10.695 -4.436 1.00 0.00 C ATOM 937 CG2 VAL A 63 -6.302 8.468 -4.123 1.00 0.00 C ATOM 0 H VAL A 63 -2.865 10.297 -5.294 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.120 7.608 -5.477 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.346 9.016 -3.407 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.738 11.067 -3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.276 11.219 -4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.846 10.870 -5.314 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.812 8.835 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.925 8.650 -4.999 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.121 7.398 -4.023 1.00 0.00 H new ATOM 947 N ASP A 64 -5.398 8.063 -7.571 1.00 0.00 N ATOM 948 CA ASP A 64 -6.239 8.349 -8.757 1.00 0.00 C ATOM 949 C ASP A 64 -7.687 8.138 -8.361 1.00 0.00 C ATOM 950 O ASP A 64 -8.063 7.113 -7.827 1.00 0.00 O ATOM 951 CB ASP A 64 -5.878 7.423 -9.910 1.00 0.00 C ATOM 952 CG ASP A 64 -6.186 8.123 -11.236 1.00 0.00 C ATOM 953 OD1 ASP A 64 -5.623 9.182 -11.467 1.00 0.00 O ATOM 954 OD2 ASP A 64 -6.979 7.593 -11.994 1.00 0.00 O ATOM 0 H ASP A 64 -5.110 7.091 -7.461 1.00 0.00 H new ATOM 0 HA ASP A 64 -6.075 9.374 -9.089 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.822 7.158 -9.862 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.443 6.494 -9.836 1.00 0.00 H new ATOM 959 N VAL A 65 -8.489 9.117 -8.591 1.00 0.00 N ATOM 960 CA VAL A 65 -9.921 9.013 -8.203 1.00 0.00 C ATOM 961 C VAL A 65 -10.802 8.828 -9.439 1.00 0.00 C ATOM 962 O VAL A 65 -10.907 9.700 -10.279 1.00 0.00 O ATOM 963 CB VAL A 65 -10.332 10.286 -7.469 1.00 0.00 C ATOM 964 CG1 VAL A 65 -10.392 11.451 -8.460 1.00 0.00 C ATOM 965 CG2 VAL A 65 -11.707 10.083 -6.831 1.00 0.00 C ATOM 0 H VAL A 65 -8.222 9.996 -9.034 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.051 8.148 -7.553 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.601 10.511 -6.692 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.686 12.360 -7.935 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.411 11.594 -8.913 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.122 11.229 -9.238 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.002 10.992 -6.306 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.439 9.858 -7.607 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -11.661 9.254 -6.124 1.00 0.00 H new ATOM 975 N ALA A 66 -11.444 7.698 -9.545 1.00 0.00 N ATOM 976 CA ALA A 66 -12.336 7.441 -10.711 1.00 0.00 C ATOM 977 C ALA A 66 -13.402 6.424 -10.309 1.00 0.00 C ATOM 978 O ALA A 66 -13.359 5.858 -9.234 1.00 0.00 O ATOM 979 CB ALA A 66 -11.513 6.887 -11.874 1.00 0.00 C ATOM 0 H ALA A 66 -11.389 6.936 -8.869 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.813 8.371 -11.020 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.167 6.700 -12.726 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.748 7.611 -12.156 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.036 5.955 -11.571 1.00 0.00 H new ATOM 985 N ASP A 67 -14.363 6.188 -11.158 1.00 0.00 N ATOM 986 CA ASP A 67 -15.429 5.211 -10.814 1.00 0.00 C ATOM 987 C ASP A 67 -16.194 5.704 -9.586 1.00 0.00 C ATOM 988 O ASP A 67 -16.507 4.944 -8.692 1.00 0.00 O ATOM 989 CB ASP A 67 -14.801 3.861 -10.514 1.00 0.00 C ATOM 990 CG ASP A 67 -15.681 2.748 -11.084 1.00 0.00 C ATOM 991 OD1 ASP A 67 -16.799 2.607 -10.618 1.00 0.00 O ATOM 992 OD2 ASP A 67 -15.222 2.054 -11.975 1.00 0.00 O ATOM 0 H ASP A 67 -14.455 6.629 -12.073 1.00 0.00 H new ATOM 0 HA ASP A 67 -16.117 5.112 -11.654 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.803 3.808 -10.949 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.687 3.733 -9.438 1.00 0.00 H new ATOM 997 N LYS A 68 -16.484 6.978 -9.533 1.00 0.00 N ATOM 998 CA LYS A 68 -17.223 7.538 -8.359 1.00 0.00 C ATOM 999 C LYS A 68 -16.342 7.438 -7.114 1.00 0.00 C ATOM 1000 O LYS A 68 -16.767 6.981 -6.072 1.00 0.00 O ATOM 1001 CB LYS A 68 -18.523 6.758 -8.132 1.00 0.00 C ATOM 1002 CG LYS A 68 -19.191 7.249 -6.844 1.00 0.00 C ATOM 1003 CD LYS A 68 -20.667 7.546 -7.114 1.00 0.00 C ATOM 1004 CE LYS A 68 -21.471 6.248 -7.026 1.00 0.00 C ATOM 1005 NZ LYS A 68 -21.938 5.859 -8.386 1.00 0.00 N ATOM 0 H LYS A 68 -16.241 7.658 -10.254 1.00 0.00 H new ATOM 0 HA LYS A 68 -17.468 8.582 -8.555 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -19.195 6.895 -8.979 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.313 5.691 -8.062 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -19.098 6.494 -6.063 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.689 8.146 -6.481 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -21.042 8.269 -6.390 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -20.785 7.993 -8.101 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -20.856 5.455 -6.601 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -22.324 6.381 -6.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -22.485 4.976 -8.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -22.539 6.613 -8.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -21.116 5.716 -9.007 1.00 0.00 H new ATOM 1019 N GLY A 69 -15.115 7.863 -7.216 1.00 0.00 N ATOM 1020 CA GLY A 69 -14.204 7.795 -6.041 1.00 0.00 C ATOM 1021 C GLY A 69 -14.235 6.386 -5.443 1.00 0.00 C ATOM 1022 O GLY A 69 -13.873 6.181 -4.303 1.00 0.00 O ATOM 0 H GLY A 69 -14.703 8.255 -8.063 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.188 8.050 -6.342 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.508 8.525 -5.291 1.00 0.00 H new ATOM 1026 N TYR A 70 -14.657 5.408 -6.203 1.00 0.00 N ATOM 1027 CA TYR A 70 -14.694 4.027 -5.667 1.00 0.00 C ATOM 1028 C TYR A 70 -13.436 3.287 -6.116 1.00 0.00 C ATOM 1029 O TYR A 70 -12.858 2.517 -5.376 1.00 0.00 O ATOM 1030 CB TYR A 70 -15.931 3.296 -6.180 1.00 0.00 C ATOM 1031 CG TYR A 70 -16.523 2.471 -5.059 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -16.622 3.016 -3.771 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -16.966 1.160 -5.300 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -17.157 2.255 -2.727 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -17.505 0.402 -4.254 1.00 0.00 C ATOM 1036 CZ TYR A 70 -17.600 0.947 -2.972 1.00 0.00 C ATOM 1037 OH TYR A 70 -18.119 0.186 -1.952 1.00 0.00 O ATOM 0 H TYR A 70 -14.975 5.511 -7.167 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.736 4.062 -4.578 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -16.666 4.013 -6.547 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -15.666 2.653 -7.020 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -16.285 4.025 -3.585 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -16.891 0.737 -6.291 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -17.229 2.674 -1.734 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -17.848 -0.605 -4.439 1.00 0.00 H new ATOM 0 HH TYR A 70 -17.434 -0.434 -1.625 1.00 0.00 H new ATOM 1047 N THR A 71 -13.003 3.529 -7.320 1.00 0.00 N ATOM 1048 CA THR A 71 -11.775 2.856 -7.818 1.00 0.00 C ATOM 1049 C THR A 71 -10.580 3.780 -7.579 1.00 0.00 C ATOM 1050 O THR A 71 -10.496 4.855 -8.138 1.00 0.00 O ATOM 1051 CB THR A 71 -11.921 2.574 -9.313 1.00 0.00 C ATOM 1052 OG1 THR A 71 -12.933 1.594 -9.512 1.00 0.00 O ATOM 1053 CG2 THR A 71 -10.593 2.060 -9.870 1.00 0.00 C ATOM 0 H THR A 71 -13.448 4.165 -7.982 1.00 0.00 H new ATOM 0 HA THR A 71 -11.623 1.913 -7.292 1.00 0.00 H new ATOM 0 HB THR A 71 -12.197 3.492 -9.831 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.029 1.413 -10.470 1.00 0.00 H new ATOM 0 HG21 THR A 71 -10.699 1.859 -10.936 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.819 2.812 -9.717 1.00 0.00 H new ATOM 0 HG23 THR A 71 -10.313 1.142 -9.354 1.00 0.00 H new ATOM 1061 N LEU A 72 -9.660 3.379 -6.745 1.00 0.00 N ATOM 1062 CA LEU A 72 -8.482 4.254 -6.471 1.00 0.00 C ATOM 1063 C LEU A 72 -7.218 3.624 -7.058 1.00 0.00 C ATOM 1064 O LEU A 72 -6.615 2.751 -6.466 1.00 0.00 O ATOM 1065 CB LEU A 72 -8.280 4.451 -4.959 1.00 0.00 C ATOM 1066 CG LEU A 72 -9.383 3.752 -4.159 1.00 0.00 C ATOM 1067 CD1 LEU A 72 -8.982 3.699 -2.684 1.00 0.00 C ATOM 1068 CD2 LEU A 72 -10.688 4.535 -4.302 1.00 0.00 C ATOM 0 H LEU A 72 -9.671 2.490 -6.244 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.670 5.223 -6.934 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.307 4.056 -4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.276 5.516 -4.725 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.523 2.739 -4.537 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.765 3.202 -2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.049 3.145 -2.580 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.845 4.713 -2.307 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.474 4.039 -3.733 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.549 5.547 -3.922 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -10.973 4.578 -5.353 1.00 0.00 H new ATOM 1080 N ASN A 73 -6.802 4.074 -8.209 1.00 0.00 N ATOM 1081 CA ASN A 73 -5.565 3.516 -8.819 1.00 0.00 C ATOM 1082 C ASN A 73 -4.357 4.168 -8.152 1.00 0.00 C ATOM 1083 O ASN A 73 -4.013 5.299 -8.431 1.00 0.00 O ATOM 1084 CB ASN A 73 -5.550 3.810 -10.312 1.00 0.00 C ATOM 1085 CG ASN A 73 -6.464 2.822 -11.043 1.00 0.00 C ATOM 1086 OD1 ASN A 73 -6.308 2.596 -12.227 1.00 0.00 O ATOM 1087 ND2 ASN A 73 -7.419 2.222 -10.386 1.00 0.00 N ATOM 0 H ASN A 73 -7.265 4.803 -8.752 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.532 2.436 -8.674 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.883 4.832 -10.494 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.533 3.733 -10.697 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -8.033 1.564 -10.866 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.551 2.411 -9.392 1.00 0.00 H new ATOM 1094 N ILE A 74 -3.726 3.469 -7.256 1.00 0.00 N ATOM 1095 CA ILE A 74 -2.556 4.051 -6.548 1.00 0.00 C ATOM 1096 C ILE A 74 -1.267 3.752 -7.314 1.00 0.00 C ATOM 1097 O ILE A 74 -0.931 2.614 -7.570 1.00 0.00 O ATOM 1098 CB ILE A 74 -2.474 3.440 -5.154 1.00 0.00 C ATOM 1099 CG1 ILE A 74 -3.641 3.958 -4.314 1.00 0.00 C ATOM 1100 CG2 ILE A 74 -1.150 3.826 -4.498 1.00 0.00 C ATOM 1101 CD1 ILE A 74 -4.220 2.812 -3.485 1.00 0.00 C ATOM 0 H ILE A 74 -3.970 2.517 -6.982 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.676 5.132 -6.479 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.528 2.354 -5.225 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.303 4.761 -3.659 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.411 4.378 -4.961 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.096 3.387 -3.502 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.323 3.456 -5.103 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.085 4.911 -4.420 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.052 3.181 -2.886 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.573 2.024 -4.150 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.448 2.413 -2.827 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.540 4.773 -7.671 1.00 0.00 N ATOM 1114 CA LYS A 75 0.735 4.565 -8.407 1.00 0.00 C ATOM 1115 C LYS A 75 1.888 5.101 -7.556 1.00 0.00 C ATOM 1116 O LYS A 75 2.039 6.294 -7.383 1.00 0.00 O ATOM 1117 CB LYS A 75 0.674 5.319 -9.731 1.00 0.00 C ATOM 1118 CG LYS A 75 0.374 4.340 -10.868 1.00 0.00 C ATOM 1119 CD LYS A 75 -1.134 4.084 -10.930 1.00 0.00 C ATOM 1120 CE LYS A 75 -1.632 4.287 -12.362 1.00 0.00 C ATOM 1121 NZ LYS A 75 -1.912 5.732 -12.589 1.00 0.00 N ATOM 0 H LYS A 75 -0.776 5.747 -7.483 1.00 0.00 H new ATOM 0 HA LYS A 75 0.890 3.504 -8.604 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.097 6.088 -9.687 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.621 5.827 -9.915 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.725 4.747 -11.816 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.907 3.403 -10.707 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.354 3.069 -10.598 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.656 4.761 -10.254 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.884 3.934 -13.072 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.534 3.700 -12.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -2.251 5.871 -13.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.640 6.054 -11.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.041 6.281 -12.444 1.00 0.00 H new ATOM 1135 N PHE A 76 2.697 4.235 -7.010 1.00 0.00 N ATOM 1136 CA PHE A 76 3.825 4.716 -6.157 1.00 0.00 C ATOM 1137 C PHE A 76 4.963 5.234 -7.037 1.00 0.00 C ATOM 1138 O PHE A 76 5.139 4.810 -8.162 1.00 0.00 O ATOM 1139 CB PHE A 76 4.339 3.582 -5.259 1.00 0.00 C ATOM 1140 CG PHE A 76 3.183 2.887 -4.581 1.00 0.00 C ATOM 1141 CD1 PHE A 76 2.428 1.931 -5.267 1.00 0.00 C ATOM 1142 CD2 PHE A 76 2.878 3.198 -3.254 1.00 0.00 C ATOM 1143 CE1 PHE A 76 1.365 1.289 -4.626 1.00 0.00 C ATOM 1144 CE2 PHE A 76 1.814 2.557 -2.611 1.00 0.00 C ATOM 1145 CZ PHE A 76 1.055 1.602 -3.298 1.00 0.00 C ATOM 0 H PHE A 76 2.629 3.223 -7.115 1.00 0.00 H new ATOM 0 HA PHE A 76 3.461 5.527 -5.526 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.905 2.865 -5.854 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.021 3.983 -4.510 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.666 1.689 -6.292 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.464 3.934 -2.724 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.782 0.550 -5.156 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.578 2.799 -1.585 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.232 1.108 -2.804 1.00 0.00 H new ATOM 1155 N ALA A 77 5.735 6.160 -6.531 1.00 0.00 N ATOM 1156 CA ALA A 77 6.860 6.722 -7.333 1.00 0.00 C ATOM 1157 C ALA A 77 7.924 5.647 -7.558 1.00 0.00 C ATOM 1158 O ALA A 77 8.151 5.211 -8.670 1.00 0.00 O ATOM 1159 CB ALA A 77 7.483 7.904 -6.583 1.00 0.00 C ATOM 0 H ALA A 77 5.634 6.552 -5.595 1.00 0.00 H new ATOM 0 HA ALA A 77 6.479 7.060 -8.297 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.305 8.314 -7.169 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.728 8.675 -6.427 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.860 7.565 -5.618 1.00 0.00 H new ATOM 1165 N GLY A 78 8.582 5.219 -6.516 1.00 0.00 N ATOM 1166 CA GLY A 78 9.636 4.176 -6.676 1.00 0.00 C ATOM 1167 C GLY A 78 9.033 2.793 -6.418 1.00 0.00 C ATOM 1168 O GLY A 78 9.622 2.044 -5.655 1.00 0.00 O ATOM 1169 OXT GLY A 78 7.994 2.505 -6.988 1.00 0.00 O ATOM 0 H GLY A 78 8.436 5.546 -5.561 1.00 0.00 H new ATOM 0 HA2 GLY A 78 10.055 4.219 -7.681 1.00 0.00 H new ATOM 0 HA3 GLY A 78 10.455 4.362 -5.981 1.00 0.00 H new