USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=16 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 Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -142:sc= 0.175 (180deg=-0.45) USER MOD Single : A 23 ASN : amide:sc= -3.94! C(o=-3.9!,f=-8.2!) USER MOD Single : A 28 ASN : amide:sc= -4.03! C(o=-4!,f=-8.7!) USER MOD Single : A 30 SER OG : rot 61:sc= 0.174 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.545 X(o=-0.54,f=-0.24) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.119 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= -6.49! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 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+ -159:sc= -3.26 (180deg=-5.3!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -5.91 K(o=-5.9,f=-6.6!) USER MOD Single : A 61 TYR OH : rot 165:sc= 0.0245 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 -132:sc= -6.06! USER MOD Single : A 71 THR OG1 : rot 8:sc= -6.26! USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 252 N VAL A 18 -21.990 -4.272 -2.336 1.00 0.00 N ATOM 253 CA VAL A 18 -21.098 -3.129 -2.670 1.00 0.00 C ATOM 254 C VAL A 18 -19.694 -3.667 -2.928 1.00 0.00 C ATOM 255 O VAL A 18 -19.286 -4.656 -2.354 1.00 0.00 O ATOM 256 CB VAL A 18 -21.055 -2.133 -1.507 1.00 0.00 C ATOM 257 CG1 VAL A 18 -20.631 -0.761 -2.034 1.00 0.00 C ATOM 258 CG2 VAL A 18 -22.439 -2.017 -0.859 1.00 0.00 C ATOM 0 HA VAL A 18 -21.477 -2.618 -3.555 1.00 0.00 H new ATOM 0 HB VAL A 18 -20.341 -2.485 -0.763 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -20.599 -0.049 -1.210 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -19.643 -0.835 -2.488 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -21.349 -0.420 -2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -22.396 -1.306 -0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -23.160 -1.670 -1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -22.747 -2.992 -0.482 1.00 0.00 H new ATOM 268 N THR A 19 -18.950 -3.035 -3.789 1.00 0.00 N ATOM 269 CA THR A 19 -17.579 -3.533 -4.075 1.00 0.00 C ATOM 270 C THR A 19 -16.652 -2.347 -4.362 1.00 0.00 C ATOM 271 O THR A 19 -16.756 -1.693 -5.380 1.00 0.00 O ATOM 272 CB THR A 19 -17.642 -4.503 -5.276 1.00 0.00 C ATOM 273 OG1 THR A 19 -17.230 -5.794 -4.855 1.00 0.00 O ATOM 274 CG2 THR A 19 -16.737 -4.042 -6.429 1.00 0.00 C ATOM 0 H THR A 19 -19.230 -2.200 -4.304 1.00 0.00 H new ATOM 0 HA THR A 19 -17.180 -4.069 -3.214 1.00 0.00 H new ATOM 0 HB THR A 19 -18.670 -4.523 -5.638 1.00 0.00 H new ATOM 0 HG1 THR A 19 -17.270 -6.414 -5.613 1.00 0.00 H new ATOM 0 HG21 THR A 19 -16.809 -4.751 -7.254 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.054 -3.056 -6.769 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.704 -3.992 -6.083 1.00 0.00 H new ATOM 282 N ILE A 20 -15.739 -2.080 -3.477 1.00 0.00 N ATOM 283 CA ILE A 20 -14.794 -0.960 -3.695 1.00 0.00 C ATOM 284 C ILE A 20 -13.504 -1.545 -4.269 1.00 0.00 C ATOM 285 O ILE A 20 -13.194 -2.698 -4.043 1.00 0.00 O ATOM 286 CB ILE A 20 -14.534 -0.266 -2.354 1.00 0.00 C ATOM 287 CG1 ILE A 20 -13.775 1.037 -2.579 1.00 0.00 C ATOM 288 CG2 ILE A 20 -13.720 -1.177 -1.438 1.00 0.00 C ATOM 289 CD1 ILE A 20 -14.381 2.120 -1.692 1.00 0.00 C ATOM 0 H ILE A 20 -15.607 -2.594 -2.606 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.198 -0.223 -4.390 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.493 -0.049 -1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.719 0.904 -2.344 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.833 1.331 -3.627 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -13.542 -0.673 -0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.271 -2.101 -1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -12.765 -1.409 -1.910 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -13.846 3.057 -1.845 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.431 2.256 -1.950 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -14.300 1.822 -0.647 1.00 0.00 H new ATOM 301 N LYS A 21 -12.758 -0.794 -5.025 1.00 0.00 N ATOM 302 CA LYS A 21 -11.519 -1.378 -5.604 1.00 0.00 C ATOM 303 C LYS A 21 -10.298 -0.508 -5.305 1.00 0.00 C ATOM 304 O LYS A 21 -10.399 0.665 -5.005 1.00 0.00 O ATOM 305 CB LYS A 21 -11.671 -1.520 -7.118 1.00 0.00 C ATOM 306 CG LYS A 21 -10.515 -2.364 -7.651 1.00 0.00 C ATOM 307 CD LYS A 21 -10.649 -2.526 -9.163 1.00 0.00 C ATOM 308 CE LYS A 21 -10.118 -3.902 -9.570 1.00 0.00 C ATOM 309 NZ LYS A 21 -8.762 -4.105 -8.984 1.00 0.00 N ATOM 0 H LYS A 21 -12.946 0.180 -5.264 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.368 -2.356 -5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.624 -1.990 -7.359 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.671 -0.538 -7.591 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.564 -1.889 -7.410 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.514 -3.342 -7.170 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -11.692 -2.423 -9.461 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -10.092 -1.742 -9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.796 -4.682 -9.224 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.072 -3.979 -10.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.161 -4.610 -9.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.337 -3.182 -8.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.841 -4.666 -8.112 1.00 0.00 H new ATOM 323 N ALA A 22 -9.140 -1.099 -5.404 1.00 0.00 N ATOM 324 CA ALA A 22 -7.872 -0.363 -5.153 1.00 0.00 C ATOM 325 C ALA A 22 -6.780 -0.979 -6.030 1.00 0.00 C ATOM 326 O ALA A 22 -7.031 -1.895 -6.787 1.00 0.00 O ATOM 327 CB ALA A 22 -7.487 -0.494 -3.678 1.00 0.00 C ATOM 0 H ALA A 22 -9.018 -2.081 -5.653 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.993 0.694 -5.392 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.558 0.046 -3.495 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.278 -0.075 -3.057 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.350 -1.547 -3.430 1.00 0.00 H new ATOM 333 N ASN A 23 -5.572 -0.492 -5.947 1.00 0.00 N ATOM 334 CA ASN A 23 -4.494 -1.068 -6.795 1.00 0.00 C ATOM 335 C ASN A 23 -3.123 -0.797 -6.176 1.00 0.00 C ATOM 336 O ASN A 23 -2.909 0.199 -5.513 1.00 0.00 O ATOM 337 CB ASN A 23 -4.562 -0.447 -8.188 1.00 0.00 C ATOM 338 CG ASN A 23 -5.231 -1.419 -9.155 1.00 0.00 C ATOM 339 OD1 ASN A 23 -4.665 -2.435 -9.503 1.00 0.00 O ATOM 340 ND2 ASN A 23 -6.421 -1.147 -9.612 1.00 0.00 N ATOM 0 H ASN A 23 -5.288 0.273 -5.334 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.636 -2.146 -6.864 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.121 0.488 -8.153 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.558 -0.205 -8.538 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -6.876 -1.788 -10.262 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -6.897 -0.293 -9.320 1.00 0.00 H new ATOM 347 N LEU A 24 -2.196 -1.688 -6.391 1.00 0.00 N ATOM 348 CA LEU A 24 -0.834 -1.510 -5.824 1.00 0.00 C ATOM 349 C LEU A 24 0.175 -1.339 -6.969 1.00 0.00 C ATOM 350 O LEU A 24 0.988 -2.204 -7.225 1.00 0.00 O ATOM 351 CB LEU A 24 -0.487 -2.748 -4.996 1.00 0.00 C ATOM 352 CG LEU A 24 -1.500 -2.889 -3.858 1.00 0.00 C ATOM 353 CD1 LEU A 24 -0.996 -3.915 -2.851 1.00 0.00 C ATOM 354 CD2 LEU A 24 -1.676 -1.538 -3.161 1.00 0.00 C ATOM 0 H LEU A 24 -2.326 -2.538 -6.940 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.799 -0.624 -5.190 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.502 -3.638 -5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.522 -2.660 -4.593 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.457 -3.218 -4.264 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.718 -4.015 -2.041 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.870 -4.878 -3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.039 -3.587 -2.446 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.398 -1.638 -2.350 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.719 -1.210 -2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.037 -0.802 -3.879 1.00 0.00 H new ATOM 366 N ILE A 25 0.112 -0.232 -7.672 1.00 0.00 N ATOM 367 CA ILE A 25 1.046 -0.003 -8.822 1.00 0.00 C ATOM 368 C ILE A 25 2.352 0.639 -8.350 1.00 0.00 C ATOM 369 O ILE A 25 2.356 1.495 -7.495 1.00 0.00 O ATOM 370 CB ILE A 25 0.390 0.951 -9.819 1.00 0.00 C ATOM 371 CG1 ILE A 25 -1.012 0.440 -10.184 1.00 0.00 C ATOM 372 CG2 ILE A 25 1.258 1.035 -11.078 1.00 0.00 C ATOM 373 CD1 ILE A 25 -1.474 1.080 -11.499 1.00 0.00 C ATOM 0 H ILE A 25 -0.549 0.525 -7.498 1.00 0.00 H new ATOM 0 HA ILE A 25 1.261 -0.968 -9.280 1.00 0.00 H new ATOM 0 HB ILE A 25 0.298 1.941 -9.372 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.999 -0.645 -10.282 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.715 0.679 -9.386 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.796 1.714 -11.794 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.248 1.406 -10.813 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.349 0.045 -11.524 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.469 0.713 -11.752 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.505 2.164 -11.385 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.777 0.818 -12.295 1.00 0.00 H new ATOM 385 N PHE A 26 3.462 0.249 -8.923 1.00 0.00 N ATOM 386 CA PHE A 26 4.756 0.855 -8.522 1.00 0.00 C ATOM 387 C PHE A 26 5.565 1.232 -9.755 1.00 0.00 C ATOM 388 O PHE A 26 5.326 0.767 -10.852 1.00 0.00 O ATOM 389 CB PHE A 26 5.537 -0.130 -7.688 1.00 0.00 C ATOM 390 CG PHE A 26 4.784 -0.397 -6.409 1.00 0.00 C ATOM 391 CD1 PHE A 26 3.718 -1.301 -6.406 1.00 0.00 C ATOM 392 CD2 PHE A 26 5.141 0.267 -5.230 1.00 0.00 C ATOM 393 CE1 PHE A 26 3.009 -1.546 -5.227 1.00 0.00 C ATOM 394 CE2 PHE A 26 4.432 0.023 -4.049 1.00 0.00 C ATOM 395 CZ PHE A 26 3.365 -0.883 -4.046 1.00 0.00 C ATOM 0 H PHE A 26 3.523 -0.463 -9.651 1.00 0.00 H new ATOM 0 HA PHE A 26 4.560 1.755 -7.939 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.682 -1.059 -8.240 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.527 0.267 -7.466 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.442 -1.811 -7.317 1.00 0.00 H new ATOM 0 HD2 PHE A 26 5.963 0.967 -5.232 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.187 -2.246 -5.227 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.708 0.534 -3.139 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.817 -1.070 -3.134 1.00 0.00 H new ATOM 405 N ALA A 27 6.522 2.082 -9.565 1.00 0.00 N ATOM 406 CA ALA A 27 7.379 2.531 -10.696 1.00 0.00 C ATOM 407 C ALA A 27 8.480 1.508 -10.949 1.00 0.00 C ATOM 408 O ALA A 27 9.004 1.404 -12.041 1.00 0.00 O ATOM 409 CB ALA A 27 8.010 3.882 -10.353 1.00 0.00 C ATOM 0 H ALA A 27 6.755 2.495 -8.662 1.00 0.00 H new ATOM 0 HA ALA A 27 6.767 2.630 -11.592 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.638 4.211 -11.181 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.224 4.617 -10.179 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.618 3.782 -9.454 1.00 0.00 H new ATOM 415 N ASN A 28 8.860 0.770 -9.945 1.00 0.00 N ATOM 416 CA ASN A 28 9.949 -0.217 -10.127 1.00 0.00 C ATOM 417 C ASN A 28 9.576 -1.550 -9.475 1.00 0.00 C ATOM 418 O ASN A 28 9.587 -2.584 -10.112 1.00 0.00 O ATOM 419 CB ASN A 28 11.209 0.326 -9.464 1.00 0.00 C ATOM 420 CG ASN A 28 10.837 1.189 -8.256 1.00 0.00 C ATOM 421 OD1 ASN A 28 10.109 2.153 -8.384 1.00 0.00 O ATOM 422 ND2 ASN A 28 11.310 0.882 -7.080 1.00 0.00 N ATOM 0 H ASN A 28 8.461 0.810 -9.007 1.00 0.00 H new ATOM 0 HA ASN A 28 10.114 -0.381 -11.192 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.848 -0.499 -9.149 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.781 0.916 -10.180 1.00 0.00 H new ATOM 0 HD21 ASN A 28 11.069 1.451 -6.269 1.00 0.00 H new ATOM 0 HD22 ASN A 28 11.921 0.073 -6.972 1.00 0.00 H new ATOM 429 N GLY A 29 9.264 -1.530 -8.205 1.00 0.00 N ATOM 430 CA GLY A 29 8.903 -2.790 -7.489 1.00 0.00 C ATOM 431 C GLY A 29 8.088 -3.708 -8.406 1.00 0.00 C ATOM 432 O GLY A 29 8.611 -4.628 -9.001 1.00 0.00 O ATOM 0 H GLY A 29 9.244 -0.688 -7.629 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.808 -3.302 -7.161 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.328 -2.555 -6.593 1.00 0.00 H new ATOM 436 N SER A 30 6.813 -3.463 -8.523 1.00 0.00 N ATOM 437 CA SER A 30 5.963 -4.320 -9.398 1.00 0.00 C ATOM 438 C SER A 30 4.531 -3.791 -9.369 1.00 0.00 C ATOM 439 O SER A 30 4.006 -3.471 -8.325 1.00 0.00 O ATOM 440 CB SER A 30 5.982 -5.760 -8.885 1.00 0.00 C ATOM 441 OG SER A 30 6.642 -6.589 -9.832 1.00 0.00 O ATOM 0 H SER A 30 6.321 -2.705 -8.050 1.00 0.00 H new ATOM 0 HA SER A 30 6.348 -4.298 -10.418 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.493 -5.809 -7.924 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.964 -6.114 -8.723 1.00 0.00 H new ATOM 0 HG SER A 30 7.565 -6.281 -9.949 1.00 0.00 H new ATOM 447 N THR A 31 3.890 -3.698 -10.499 1.00 0.00 N ATOM 448 CA THR A 31 2.494 -3.183 -10.511 1.00 0.00 C ATOM 449 C THR A 31 1.546 -4.297 -10.057 1.00 0.00 C ATOM 450 O THR A 31 1.731 -5.453 -10.387 1.00 0.00 O ATOM 451 CB THR A 31 2.121 -2.745 -11.930 1.00 0.00 C ATOM 452 OG1 THR A 31 2.135 -3.873 -12.792 1.00 0.00 O ATOM 453 CG2 THR A 31 3.130 -1.708 -12.427 1.00 0.00 C ATOM 0 H THR A 31 4.270 -3.955 -11.410 1.00 0.00 H new ATOM 0 HA THR A 31 2.412 -2.330 -9.837 1.00 0.00 H new ATOM 0 HB THR A 31 1.124 -2.305 -11.924 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.895 -3.594 -13.700 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.864 -1.397 -13.437 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.118 -0.842 -11.765 1.00 0.00 H new ATOM 0 HG23 THR A 31 4.128 -2.146 -12.433 1.00 0.00 H new ATOM 461 N GLN A 32 0.539 -3.963 -9.295 1.00 0.00 N ATOM 462 CA GLN A 32 -0.408 -5.010 -8.814 1.00 0.00 C ATOM 463 C GLN A 32 -1.782 -4.385 -8.569 1.00 0.00 C ATOM 464 O GLN A 32 -1.997 -3.217 -8.823 1.00 0.00 O ATOM 465 CB GLN A 32 0.123 -5.605 -7.508 1.00 0.00 C ATOM 466 CG GLN A 32 0.573 -7.046 -7.747 1.00 0.00 C ATOM 467 CD GLN A 32 2.051 -7.185 -7.373 1.00 0.00 C ATOM 468 OE1 GLN A 32 2.794 -7.881 -8.036 1.00 0.00 O ATOM 469 NE2 GLN A 32 2.512 -6.547 -6.332 1.00 0.00 N ATOM 0 H GLN A 32 0.332 -3.013 -8.986 1.00 0.00 H new ATOM 0 HA GLN A 32 -0.499 -5.795 -9.565 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.958 -5.009 -7.138 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.652 -5.578 -6.742 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.030 -7.731 -7.151 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.424 -7.317 -8.792 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.889 -5.962 -5.775 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.495 -6.633 -6.076 1.00 0.00 H new ATOM 478 N THR A 33 -2.717 -5.159 -8.086 1.00 0.00 N ATOM 479 CA THR A 33 -4.077 -4.624 -7.830 1.00 0.00 C ATOM 480 C THR A 33 -4.579 -5.129 -6.471 1.00 0.00 C ATOM 481 O THR A 33 -4.121 -6.133 -5.963 1.00 0.00 O ATOM 482 CB THR A 33 -5.018 -5.119 -8.928 1.00 0.00 C ATOM 483 OG1 THR A 33 -5.642 -6.322 -8.506 1.00 0.00 O ATOM 484 CG2 THR A 33 -4.236 -5.370 -10.221 1.00 0.00 C ATOM 0 H THR A 33 -2.592 -6.145 -7.858 1.00 0.00 H new ATOM 0 HA THR A 33 -4.049 -3.534 -7.824 1.00 0.00 H new ATOM 0 HB THR A 33 -5.776 -4.359 -9.118 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.247 -6.640 -9.208 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.917 -5.722 -10.996 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.764 -4.443 -10.547 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.469 -6.124 -10.042 1.00 0.00 H new ATOM 492 N ALA A 34 -5.524 -4.443 -5.887 1.00 0.00 N ATOM 493 CA ALA A 34 -6.073 -4.877 -4.568 1.00 0.00 C ATOM 494 C ALA A 34 -7.452 -4.244 -4.383 1.00 0.00 C ATOM 495 O ALA A 34 -7.647 -3.085 -4.681 1.00 0.00 O ATOM 496 CB ALA A 34 -5.141 -4.417 -3.445 1.00 0.00 C ATOM 0 H ALA A 34 -5.943 -3.595 -6.269 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.154 -5.964 -4.537 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -5.545 -4.735 -2.484 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.154 -4.857 -3.588 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.059 -3.330 -3.462 1.00 0.00 H new ATOM 502 N GLU A 35 -8.417 -4.987 -3.912 1.00 0.00 N ATOM 503 CA GLU A 35 -9.778 -4.399 -3.747 1.00 0.00 C ATOM 504 C GLU A 35 -10.431 -4.880 -2.446 1.00 0.00 C ATOM 505 O GLU A 35 -9.988 -5.823 -1.821 1.00 0.00 O ATOM 506 CB GLU A 35 -10.646 -4.831 -4.930 1.00 0.00 C ATOM 507 CG GLU A 35 -10.804 -6.352 -4.919 1.00 0.00 C ATOM 508 CD GLU A 35 -10.584 -6.901 -6.329 1.00 0.00 C ATOM 509 OE1 GLU A 35 -10.080 -6.163 -7.160 1.00 0.00 O ATOM 510 OE2 GLU A 35 -10.921 -8.052 -6.555 1.00 0.00 O ATOM 0 H GLU A 35 -8.324 -5.965 -3.637 1.00 0.00 H new ATOM 0 HA GLU A 35 -9.689 -3.313 -3.708 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.624 -4.353 -4.871 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.190 -4.509 -5.866 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.087 -6.797 -4.229 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.799 -6.622 -4.564 1.00 0.00 H new ATOM 517 N PHE A 36 -11.502 -4.237 -2.052 1.00 0.00 N ATOM 518 CA PHE A 36 -12.223 -4.639 -0.817 1.00 0.00 C ATOM 519 C PHE A 36 -13.727 -4.495 -1.072 1.00 0.00 C ATOM 520 O PHE A 36 -14.140 -3.734 -1.916 1.00 0.00 O ATOM 521 CB PHE A 36 -11.836 -3.750 0.366 1.00 0.00 C ATOM 522 CG PHE A 36 -10.613 -2.891 0.081 1.00 0.00 C ATOM 523 CD1 PHE A 36 -10.596 -2.005 -1.005 1.00 0.00 C ATOM 524 CD2 PHE A 36 -9.501 -2.961 0.935 1.00 0.00 C ATOM 525 CE1 PHE A 36 -9.475 -1.201 -1.240 1.00 0.00 C ATOM 526 CE2 PHE A 36 -8.379 -2.151 0.699 1.00 0.00 C ATOM 527 CZ PHE A 36 -8.365 -1.275 -0.387 1.00 0.00 C ATOM 0 H PHE A 36 -11.908 -3.441 -2.544 1.00 0.00 H new ATOM 0 HA PHE A 36 -11.958 -5.668 -0.573 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.677 -3.105 0.620 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.640 -4.376 1.237 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -11.451 -1.943 -1.662 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.509 -3.639 1.775 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.465 -0.522 -2.080 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.526 -2.206 1.359 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.500 -0.655 -0.570 1.00 0.00 H new ATOM 537 N LYS A 37 -14.554 -5.222 -0.371 1.00 0.00 N ATOM 538 CA LYS A 37 -16.016 -5.106 -0.609 1.00 0.00 C ATOM 539 C LYS A 37 -16.749 -4.994 0.730 1.00 0.00 C ATOM 540 O LYS A 37 -16.149 -5.065 1.784 1.00 0.00 O ATOM 541 CB LYS A 37 -16.526 -6.339 -1.351 1.00 0.00 C ATOM 542 CG LYS A 37 -15.389 -7.075 -2.075 1.00 0.00 C ATOM 543 CD LYS A 37 -15.201 -8.453 -1.441 1.00 0.00 C ATOM 544 CE LYS A 37 -16.308 -9.385 -1.936 1.00 0.00 C ATOM 545 NZ LYS A 37 -15.849 -10.798 -1.840 1.00 0.00 N ATOM 0 H LYS A 37 -14.280 -5.887 0.352 1.00 0.00 H new ATOM 0 HA LYS A 37 -16.203 -4.216 -1.210 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -17.007 -7.016 -0.645 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.285 -6.041 -2.074 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.622 -7.177 -3.135 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.465 -6.500 -2.006 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.223 -8.858 -1.703 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.233 -8.375 -0.354 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -17.210 -9.244 -1.341 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.566 -9.145 -2.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.602 -11.431 -2.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -15.000 -10.928 -2.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.624 -11.023 -0.850 1.00 0.00 H new ATOM 559 N GLY A 38 -18.045 -4.823 0.700 1.00 0.00 N ATOM 560 CA GLY A 38 -18.809 -4.713 1.979 1.00 0.00 C ATOM 561 C GLY A 38 -19.269 -3.269 2.186 1.00 0.00 C ATOM 562 O GLY A 38 -20.107 -2.767 1.463 1.00 0.00 O ATOM 0 H GLY A 38 -18.605 -4.755 -0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.671 -5.379 1.956 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.184 -5.029 2.815 1.00 0.00 H new ATOM 566 N THR A 39 -18.729 -2.595 3.168 1.00 0.00 N ATOM 567 CA THR A 39 -19.141 -1.183 3.412 1.00 0.00 C ATOM 568 C THR A 39 -18.933 -0.385 2.127 1.00 0.00 C ATOM 569 O THR A 39 -18.718 -0.951 1.074 1.00 0.00 O ATOM 570 CB THR A 39 -18.293 -0.582 4.535 1.00 0.00 C ATOM 571 OG1 THR A 39 -17.800 -1.627 5.360 1.00 0.00 O ATOM 572 CG2 THR A 39 -19.154 0.365 5.371 1.00 0.00 C ATOM 0 H THR A 39 -18.024 -2.960 3.808 1.00 0.00 H new ATOM 0 HA THR A 39 -20.190 -1.149 3.706 1.00 0.00 H new ATOM 0 HB THR A 39 -17.457 -0.029 4.107 1.00 0.00 H new ATOM 0 HG1 THR A 39 -17.255 -1.246 6.080 1.00 0.00 H new ATOM 0 HG21 THR A 39 -18.551 0.794 6.171 1.00 0.00 H new ATOM 0 HG22 THR A 39 -19.537 1.165 4.737 1.00 0.00 H new ATOM 0 HG23 THR A 39 -19.989 -0.187 5.802 1.00 0.00 H new ATOM 580 N PHE A 40 -19.001 0.918 2.179 1.00 0.00 N ATOM 581 CA PHE A 40 -18.808 1.684 0.922 1.00 0.00 C ATOM 582 C PHE A 40 -17.519 2.500 0.951 1.00 0.00 C ATOM 583 O PHE A 40 -16.468 2.029 0.566 1.00 0.00 O ATOM 584 CB PHE A 40 -19.989 2.613 0.669 1.00 0.00 C ATOM 585 CG PHE A 40 -19.748 3.353 -0.628 1.00 0.00 C ATOM 586 CD1 PHE A 40 -19.969 2.705 -1.850 1.00 0.00 C ATOM 587 CD2 PHE A 40 -19.289 4.678 -0.612 1.00 0.00 C ATOM 588 CE1 PHE A 40 -19.734 3.383 -3.056 1.00 0.00 C ATOM 589 CE2 PHE A 40 -19.056 5.352 -1.816 1.00 0.00 C ATOM 590 CZ PHE A 40 -19.279 4.705 -3.037 1.00 0.00 C ATOM 0 H PHE A 40 -19.178 1.471 3.017 1.00 0.00 H new ATOM 0 HA PHE A 40 -18.738 0.957 0.113 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -20.915 2.041 0.612 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -20.099 3.318 1.493 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -20.320 1.684 -1.864 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -19.115 5.178 0.329 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -19.905 2.884 -3.998 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -18.704 6.373 -1.803 1.00 0.00 H new ATOM 0 HZ PHE A 40 -19.099 5.227 -3.965 1.00 0.00 H new ATOM 600 N GLU A 41 -17.590 3.729 1.368 1.00 0.00 N ATOM 601 CA GLU A 41 -16.369 4.569 1.373 1.00 0.00 C ATOM 602 C GLU A 41 -15.471 4.181 2.544 1.00 0.00 C ATOM 603 O GLU A 41 -14.306 4.526 2.584 1.00 0.00 O ATOM 604 CB GLU A 41 -16.767 6.036 1.462 1.00 0.00 C ATOM 605 CG GLU A 41 -15.517 6.906 1.342 1.00 0.00 C ATOM 606 CD GLU A 41 -15.889 8.377 1.540 1.00 0.00 C ATOM 607 OE1 GLU A 41 -16.851 8.635 2.244 1.00 0.00 O ATOM 608 OE2 GLU A 41 -15.206 9.219 0.981 1.00 0.00 O ATOM 0 H GLU A 41 -18.438 4.186 1.704 1.00 0.00 H new ATOM 0 HA GLU A 41 -15.812 4.409 0.450 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.473 6.282 0.669 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -17.271 6.231 2.409 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -14.780 6.604 2.086 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -15.058 6.766 0.363 1.00 0.00 H new ATOM 615 N LYS A 42 -15.984 3.441 3.489 1.00 0.00 N ATOM 616 CA LYS A 42 -15.127 3.019 4.615 1.00 0.00 C ATOM 617 C LYS A 42 -13.997 2.174 4.032 1.00 0.00 C ATOM 618 O LYS A 42 -12.904 2.113 4.561 1.00 0.00 O ATOM 619 CB LYS A 42 -15.940 2.197 5.619 1.00 0.00 C ATOM 620 CG LYS A 42 -16.043 2.968 6.935 1.00 0.00 C ATOM 621 CD LYS A 42 -17.311 2.552 7.679 1.00 0.00 C ATOM 622 CE LYS A 42 -17.675 3.631 8.698 1.00 0.00 C ATOM 623 NZ LYS A 42 -18.927 4.313 8.267 1.00 0.00 N ATOM 0 H LYS A 42 -16.950 3.117 3.524 1.00 0.00 H new ATOM 0 HA LYS A 42 -14.727 3.886 5.141 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -16.935 1.997 5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.464 1.231 5.786 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -15.167 2.771 7.552 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -16.060 4.040 6.739 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -18.130 2.410 6.974 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -17.155 1.598 8.182 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.811 3.186 9.684 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.864 4.354 8.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -19.178 5.048 8.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -18.781 4.750 7.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -19.698 3.618 8.206 1.00 0.00 H new ATOM 637 N ALA A 43 -14.258 1.540 2.916 1.00 0.00 N ATOM 638 CA ALA A 43 -13.212 0.719 2.250 1.00 0.00 C ATOM 639 C ALA A 43 -12.258 1.662 1.528 1.00 0.00 C ATOM 640 O ALA A 43 -11.100 1.361 1.336 1.00 0.00 O ATOM 641 CB ALA A 43 -13.863 -0.229 1.240 1.00 0.00 C ATOM 0 H ALA A 43 -15.159 1.559 2.438 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.672 0.126 2.988 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.093 -0.828 0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.563 -0.886 1.756 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.398 0.352 0.489 1.00 0.00 H new ATOM 647 N THR A 44 -12.738 2.811 1.131 1.00 0.00 N ATOM 648 CA THR A 44 -11.846 3.780 0.433 1.00 0.00 C ATOM 649 C THR A 44 -10.888 4.401 1.453 1.00 0.00 C ATOM 650 O THR A 44 -9.790 4.795 1.122 1.00 0.00 O ATOM 651 CB THR A 44 -12.671 4.885 -0.229 1.00 0.00 C ATOM 652 OG1 THR A 44 -13.986 4.412 -0.483 1.00 0.00 O ATOM 653 CG2 THR A 44 -12.007 5.282 -1.548 1.00 0.00 C ATOM 0 H THR A 44 -13.702 3.118 1.259 1.00 0.00 H new ATOM 0 HA THR A 44 -11.283 3.255 -0.338 1.00 0.00 H new ATOM 0 HB THR A 44 -12.723 5.750 0.432 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.513 5.122 -0.905 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.590 6.070 -2.026 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.998 5.645 -1.353 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.960 4.415 -2.207 1.00 0.00 H new ATOM 661 N SER A 45 -11.290 4.479 2.696 1.00 0.00 N ATOM 662 CA SER A 45 -10.388 5.052 3.737 1.00 0.00 C ATOM 663 C SER A 45 -9.415 3.963 4.180 1.00 0.00 C ATOM 664 O SER A 45 -8.225 4.182 4.269 1.00 0.00 O ATOM 665 CB SER A 45 -11.214 5.532 4.933 1.00 0.00 C ATOM 666 OG SER A 45 -10.375 5.618 6.078 1.00 0.00 O ATOM 0 H SER A 45 -12.202 4.171 3.033 1.00 0.00 H new ATOM 0 HA SER A 45 -9.839 5.902 3.332 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.656 6.505 4.718 1.00 0.00 H new ATOM 0 HB3 SER A 45 -12.037 4.843 5.122 1.00 0.00 H new ATOM 0 HG SER A 45 -10.900 5.927 6.846 1.00 0.00 H new ATOM 672 N GLU A 46 -9.912 2.780 4.434 1.00 0.00 N ATOM 673 CA GLU A 46 -9.007 1.671 4.837 1.00 0.00 C ATOM 674 C GLU A 46 -8.150 1.311 3.628 1.00 0.00 C ATOM 675 O GLU A 46 -7.062 0.782 3.748 1.00 0.00 O ATOM 676 CB GLU A 46 -9.830 0.464 5.274 1.00 0.00 C ATOM 677 CG GLU A 46 -9.613 0.219 6.769 1.00 0.00 C ATOM 678 CD GLU A 46 -10.842 0.692 7.548 1.00 0.00 C ATOM 679 OE1 GLU A 46 -11.911 0.734 6.962 1.00 0.00 O ATOM 680 OE2 GLU A 46 -10.694 1.003 8.717 1.00 0.00 O ATOM 0 H GLU A 46 -10.901 2.538 4.379 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.376 1.974 5.673 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.887 0.637 5.072 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.537 -0.417 4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.439 -0.841 6.953 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.726 0.752 7.111 1.00 0.00 H new ATOM 687 N ALA A 47 -8.634 1.634 2.459 1.00 0.00 N ATOM 688 CA ALA A 47 -7.863 1.365 1.217 1.00 0.00 C ATOM 689 C ALA A 47 -6.794 2.440 1.108 1.00 0.00 C ATOM 690 O ALA A 47 -5.652 2.176 0.793 1.00 0.00 O ATOM 691 CB ALA A 47 -8.794 1.452 0.009 1.00 0.00 C ATOM 0 H ALA A 47 -9.541 2.077 2.313 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.416 0.371 1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.228 1.255 -0.901 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.590 0.714 0.109 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.230 2.450 -0.044 1.00 0.00 H new ATOM 697 N TYR A 48 -7.163 3.654 1.404 1.00 0.00 N ATOM 698 CA TYR A 48 -6.186 4.759 1.365 1.00 0.00 C ATOM 699 C TYR A 48 -5.120 4.446 2.405 1.00 0.00 C ATOM 700 O TYR A 48 -3.962 4.786 2.267 1.00 0.00 O ATOM 701 CB TYR A 48 -6.895 6.069 1.692 1.00 0.00 C ATOM 702 CG TYR A 48 -6.365 7.162 0.800 1.00 0.00 C ATOM 703 CD1 TYR A 48 -4.986 7.291 0.585 1.00 0.00 C ATOM 704 CD2 TYR A 48 -7.256 8.042 0.178 1.00 0.00 C ATOM 705 CE1 TYR A 48 -4.503 8.302 -0.254 1.00 0.00 C ATOM 706 CE2 TYR A 48 -6.773 9.052 -0.660 1.00 0.00 C ATOM 707 CZ TYR A 48 -5.397 9.184 -0.875 1.00 0.00 C ATOM 708 OH TYR A 48 -4.922 10.180 -1.702 1.00 0.00 O ATOM 0 H TYR A 48 -8.109 3.923 1.673 1.00 0.00 H new ATOM 0 HA TYR A 48 -5.731 4.861 0.380 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.970 5.958 1.550 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.736 6.330 2.738 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.298 6.612 1.066 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -8.318 7.942 0.345 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.441 8.402 -0.423 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.462 9.730 -1.141 1.00 0.00 H new ATOM 0 HH TYR A 48 -5.674 10.701 -2.052 1.00 0.00 H new ATOM 718 N ALA A 49 -5.520 3.751 3.430 1.00 0.00 N ATOM 719 CA ALA A 49 -4.565 3.339 4.486 1.00 0.00 C ATOM 720 C ALA A 49 -3.847 2.089 3.985 1.00 0.00 C ATOM 721 O ALA A 49 -2.735 1.794 4.374 1.00 0.00 O ATOM 722 CB ALA A 49 -5.327 3.021 5.775 1.00 0.00 C ATOM 0 H ALA A 49 -6.482 3.448 3.581 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.851 4.135 4.697 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.622 2.718 6.549 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.870 3.907 6.105 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.033 2.211 5.590 1.00 0.00 H new ATOM 728 N TYR A 50 -4.483 1.360 3.102 1.00 0.00 N ATOM 729 CA TYR A 50 -3.852 0.136 2.542 1.00 0.00 C ATOM 730 C TYR A 50 -2.556 0.547 1.841 1.00 0.00 C ATOM 731 O TYR A 50 -1.510 -0.032 2.053 1.00 0.00 O ATOM 732 CB TYR A 50 -4.819 -0.503 1.542 1.00 0.00 C ATOM 733 CG TYR A 50 -4.431 -1.938 1.277 1.00 0.00 C ATOM 734 CD1 TYR A 50 -3.995 -2.758 2.324 1.00 0.00 C ATOM 735 CD2 TYR A 50 -4.517 -2.448 -0.023 1.00 0.00 C ATOM 736 CE1 TYR A 50 -3.642 -4.088 2.070 1.00 0.00 C ATOM 737 CE2 TYR A 50 -4.166 -3.777 -0.278 1.00 0.00 C ATOM 738 CZ TYR A 50 -3.726 -4.598 0.769 1.00 0.00 C ATOM 739 OH TYR A 50 -3.378 -5.910 0.521 1.00 0.00 O ATOM 0 H TYR A 50 -5.417 1.565 2.746 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.629 -0.586 3.328 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.836 -0.461 1.932 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -4.812 0.060 0.609 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.931 -2.364 3.328 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.855 -1.815 -0.830 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -3.305 -4.721 2.878 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.234 -4.171 -1.281 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.494 -6.105 -0.432 1.00 0.00 H new ATOM 749 N ALA A 51 -2.619 1.561 1.022 1.00 0.00 N ATOM 750 CA ALA A 51 -1.388 2.037 0.321 1.00 0.00 C ATOM 751 C ALA A 51 -0.384 2.543 1.361 1.00 0.00 C ATOM 752 O ALA A 51 0.813 2.495 1.156 1.00 0.00 O ATOM 753 CB ALA A 51 -1.750 3.179 -0.630 1.00 0.00 C ATOM 0 H ALA A 51 -3.469 2.082 0.807 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.950 1.217 -0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.852 3.526 -1.141 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.472 2.825 -1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.185 4.002 -0.062 1.00 0.00 H new ATOM 759 N ASP A 52 -0.863 3.028 2.474 1.00 0.00 N ATOM 760 CA ASP A 52 0.064 3.535 3.526 1.00 0.00 C ATOM 761 C ASP A 52 0.773 2.354 4.195 1.00 0.00 C ATOM 762 O ASP A 52 1.908 2.455 4.615 1.00 0.00 O ATOM 763 CB ASP A 52 -0.733 4.315 4.573 1.00 0.00 C ATOM 764 CG ASP A 52 0.184 5.323 5.265 1.00 0.00 C ATOM 765 OD1 ASP A 52 0.974 4.903 6.095 1.00 0.00 O ATOM 766 OD2 ASP A 52 0.082 6.499 4.954 1.00 0.00 O ATOM 0 H ASP A 52 -1.855 3.095 2.700 1.00 0.00 H new ATOM 0 HA ASP A 52 0.806 4.192 3.072 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.568 4.832 4.099 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.158 3.630 5.307 1.00 0.00 H new ATOM 771 N THR A 53 0.111 1.237 4.296 1.00 0.00 N ATOM 772 CA THR A 53 0.744 0.047 4.930 1.00 0.00 C ATOM 773 C THR A 53 1.647 -0.648 3.908 1.00 0.00 C ATOM 774 O THR A 53 2.519 -1.421 4.254 1.00 0.00 O ATOM 775 CB THR A 53 -0.350 -0.920 5.400 1.00 0.00 C ATOM 776 OG1 THR A 53 0.216 -1.882 6.280 1.00 0.00 O ATOM 777 CG2 THR A 53 -0.974 -1.633 4.197 1.00 0.00 C ATOM 0 H THR A 53 -0.844 1.096 3.966 1.00 0.00 H new ATOM 0 HA THR A 53 1.341 0.358 5.787 1.00 0.00 H new ATOM 0 HB THR A 53 -1.125 -0.357 5.920 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.482 -2.500 6.582 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.749 -2.317 4.542 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.413 -0.896 3.525 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.204 -2.194 3.667 1.00 0.00 H new ATOM 785 N LEU A 54 1.435 -0.383 2.646 1.00 0.00 N ATOM 786 CA LEU A 54 2.268 -1.032 1.593 1.00 0.00 C ATOM 787 C LEU A 54 3.510 -0.192 1.313 1.00 0.00 C ATOM 788 O LEU A 54 4.088 -0.263 0.249 1.00 0.00 O ATOM 789 CB LEU A 54 1.448 -1.177 0.309 1.00 0.00 C ATOM 790 CG LEU A 54 2.237 -1.996 -0.720 1.00 0.00 C ATOM 791 CD1 LEU A 54 2.871 -3.215 -0.041 1.00 0.00 C ATOM 792 CD2 LEU A 54 1.288 -2.466 -1.822 1.00 0.00 C ATOM 0 H LEU A 54 0.720 0.256 2.299 1.00 0.00 H new ATOM 0 HA LEU A 54 2.578 -2.017 1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.498 -1.666 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.214 -0.193 -0.097 1.00 0.00 H new ATOM 0 HG LEU A 54 3.024 -1.376 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.430 -3.792 -0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.546 -2.882 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.088 -3.839 0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.844 -3.049 -2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.503 -3.084 -1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.840 -1.600 -2.310 1.00 0.00 H new ATOM 804 N LYS A 55 3.930 0.599 2.256 1.00 0.00 N ATOM 805 CA LYS A 55 5.142 1.431 2.037 1.00 0.00 C ATOM 806 C LYS A 55 6.393 0.572 2.253 1.00 0.00 C ATOM 807 O LYS A 55 7.074 0.689 3.253 1.00 0.00 O ATOM 808 CB LYS A 55 5.137 2.599 3.021 1.00 0.00 C ATOM 809 CG LYS A 55 4.027 3.576 2.631 1.00 0.00 C ATOM 810 CD LYS A 55 4.489 5.007 2.896 1.00 0.00 C ATOM 811 CE LYS A 55 3.731 5.966 1.975 1.00 0.00 C ATOM 812 NZ LYS A 55 3.785 5.456 0.575 1.00 0.00 N ATOM 0 H LYS A 55 3.487 0.706 3.169 1.00 0.00 H new ATOM 0 HA LYS A 55 5.145 1.819 1.018 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.978 2.235 4.036 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.103 3.104 3.011 1.00 0.00 H new ATOM 0 HG2 LYS A 55 3.774 3.454 1.578 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.124 3.363 3.202 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.312 5.271 3.939 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.562 5.092 2.724 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.695 6.057 2.301 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.171 6.962 2.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.601 6.237 -0.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 4.727 5.057 0.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.065 4.717 0.447 1.00 0.00 H new ATOM 826 N LYS A 56 6.698 -0.292 1.321 1.00 0.00 N ATOM 827 CA LYS A 56 7.899 -1.162 1.468 1.00 0.00 C ATOM 828 C LYS A 56 9.156 -0.356 1.124 1.00 0.00 C ATOM 829 O LYS A 56 10.008 -0.129 1.960 1.00 0.00 O ATOM 830 CB LYS A 56 7.776 -2.358 0.520 1.00 0.00 C ATOM 831 CG LYS A 56 8.018 -3.654 1.297 1.00 0.00 C ATOM 832 CD LYS A 56 6.807 -4.580 1.142 1.00 0.00 C ATOM 833 CE LYS A 56 7.196 -6.004 1.543 1.00 0.00 C ATOM 834 NZ LYS A 56 7.080 -6.153 3.021 1.00 0.00 N ATOM 0 H LYS A 56 6.165 -0.432 0.463 1.00 0.00 H new ATOM 0 HA LYS A 56 7.971 -1.520 2.495 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.786 -2.374 0.065 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.498 -2.268 -0.291 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.916 -4.149 0.928 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.186 -3.432 2.351 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.985 -4.228 1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.455 -4.565 0.111 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.549 -6.724 1.042 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.216 -6.217 1.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.344 -7.121 3.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.715 -5.475 3.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.099 -5.967 3.313 1.00 0.00 H new ATOM 848 N ASP A 57 9.274 0.086 -0.097 1.00 0.00 N ATOM 849 CA ASP A 57 10.470 0.883 -0.491 1.00 0.00 C ATOM 850 C ASP A 57 10.020 2.094 -1.311 1.00 0.00 C ATOM 851 O ASP A 57 10.807 2.738 -1.975 1.00 0.00 O ATOM 852 CB ASP A 57 11.408 0.017 -1.337 1.00 0.00 C ATOM 853 CG ASP A 57 12.858 0.312 -0.954 1.00 0.00 C ATOM 854 OD1 ASP A 57 13.183 0.169 0.215 1.00 0.00 O ATOM 855 OD2 ASP A 57 13.622 0.676 -1.836 1.00 0.00 O ATOM 0 H ASP A 57 8.593 -0.070 -0.840 1.00 0.00 H new ATOM 0 HA ASP A 57 10.995 1.218 0.403 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.187 -1.039 -1.179 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.252 0.221 -2.396 1.00 0.00 H new ATOM 860 N ASN A 58 8.753 2.401 -1.273 1.00 0.00 N ATOM 861 CA ASN A 58 8.236 3.561 -2.052 1.00 0.00 C ATOM 862 C ASN A 58 8.241 4.806 -1.165 1.00 0.00 C ATOM 863 O ASN A 58 9.039 5.704 -1.345 1.00 0.00 O ATOM 864 CB ASN A 58 6.808 3.272 -2.517 1.00 0.00 C ATOM 865 CG ASN A 58 6.529 1.772 -2.452 1.00 0.00 C ATOM 866 OD1 ASN A 58 6.964 1.022 -3.304 1.00 0.00 O ATOM 867 ND2 ASN A 58 5.814 1.301 -1.469 1.00 0.00 N ATOM 0 H ASN A 58 8.050 1.896 -0.733 1.00 0.00 H new ATOM 0 HA ASN A 58 8.871 3.728 -2.922 1.00 0.00 H new ATOM 0 HB2 ASN A 58 6.097 3.810 -1.890 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.669 3.632 -3.536 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.619 0.301 -1.414 1.00 0.00 H new ATOM 0 HD22 ASN A 58 5.450 1.932 -0.755 1.00 0.00 H new ATOM 874 N GLY A 59 7.361 4.862 -0.204 1.00 0.00 N ATOM 875 CA GLY A 59 7.323 6.046 0.699 1.00 0.00 C ATOM 876 C GLY A 59 6.408 7.120 0.114 1.00 0.00 C ATOM 877 O GLY A 59 6.373 8.241 0.584 1.00 0.00 O ATOM 0 H GLY A 59 6.668 4.141 -0.005 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.966 5.750 1.685 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.329 6.446 0.831 1.00 0.00 H new ATOM 881 N GLU A 60 5.673 6.797 -0.910 1.00 0.00 N ATOM 882 CA GLU A 60 4.772 7.817 -1.516 1.00 0.00 C ATOM 883 C GLU A 60 4.110 7.255 -2.775 1.00 0.00 C ATOM 884 O GLU A 60 4.643 6.383 -3.431 1.00 0.00 O ATOM 885 CB GLU A 60 5.604 9.036 -1.898 1.00 0.00 C ATOM 886 CG GLU A 60 6.829 8.574 -2.690 1.00 0.00 C ATOM 887 CD GLU A 60 7.830 9.725 -2.802 1.00 0.00 C ATOM 888 OE1 GLU A 60 7.448 10.846 -2.513 1.00 0.00 O ATOM 889 OE2 GLU A 60 8.962 9.466 -3.176 1.00 0.00 O ATOM 0 H GLU A 60 5.655 5.878 -1.352 1.00 0.00 H new ATOM 0 HA GLU A 60 3.999 8.089 -0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.008 9.727 -2.495 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.915 9.575 -1.003 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.294 7.721 -2.196 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.528 8.242 -3.684 1.00 0.00 H new ATOM 896 N TYR A 61 2.954 7.757 -3.122 1.00 0.00 N ATOM 897 CA TYR A 61 2.265 7.256 -4.345 1.00 0.00 C ATOM 898 C TYR A 61 1.212 8.261 -4.813 1.00 0.00 C ATOM 899 O TYR A 61 0.905 9.222 -4.136 1.00 0.00 O ATOM 900 CB TYR A 61 1.587 5.924 -4.042 1.00 0.00 C ATOM 901 CG TYR A 61 0.770 6.041 -2.783 1.00 0.00 C ATOM 902 CD1 TYR A 61 1.397 5.968 -1.534 1.00 0.00 C ATOM 903 CD2 TYR A 61 -0.614 6.219 -2.862 1.00 0.00 C ATOM 904 CE1 TYR A 61 0.638 6.073 -0.364 1.00 0.00 C ATOM 905 CE2 TYR A 61 -1.374 6.324 -1.693 1.00 0.00 C ATOM 906 CZ TYR A 61 -0.748 6.252 -0.441 1.00 0.00 C ATOM 907 OH TYR A 61 -1.496 6.359 0.714 1.00 0.00 O ATOM 0 H TYR A 61 2.460 8.490 -2.613 1.00 0.00 H new ATOM 0 HA TYR A 61 3.006 7.123 -5.133 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.947 5.633 -4.875 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.337 5.142 -3.928 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.467 5.831 -1.474 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -1.097 6.275 -3.826 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.122 6.016 0.600 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.444 6.461 -1.755 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.383 6.714 0.497 1.00 0.00 H new ATOM 917 N THR A 62 0.651 8.034 -5.970 1.00 0.00 N ATOM 918 CA THR A 62 -0.393 8.956 -6.499 1.00 0.00 C ATOM 919 C THR A 62 -1.686 8.167 -6.718 1.00 0.00 C ATOM 920 O THR A 62 -1.819 7.428 -7.673 1.00 0.00 O ATOM 921 CB THR A 62 0.082 9.548 -7.830 1.00 0.00 C ATOM 922 OG1 THR A 62 1.502 9.604 -7.841 1.00 0.00 O ATOM 923 CG2 THR A 62 -0.489 10.957 -8.004 1.00 0.00 C ATOM 0 H THR A 62 0.873 7.244 -6.575 1.00 0.00 H new ATOM 0 HA THR A 62 -0.572 9.764 -5.790 1.00 0.00 H new ATOM 0 HB THR A 62 -0.265 8.919 -8.650 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.808 9.981 -8.692 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.148 11.373 -8.952 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.578 10.912 -7.998 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.148 11.591 -7.186 1.00 0.00 H new ATOM 931 N VAL A 63 -2.637 8.305 -5.836 1.00 0.00 N ATOM 932 CA VAL A 63 -3.908 7.546 -5.995 1.00 0.00 C ATOM 933 C VAL A 63 -4.792 8.225 -7.038 1.00 0.00 C ATOM 934 O VAL A 63 -4.949 9.430 -7.051 1.00 0.00 O ATOM 935 CB VAL A 63 -4.648 7.504 -4.660 1.00 0.00 C ATOM 936 CG1 VAL A 63 -5.559 6.276 -4.624 1.00 0.00 C ATOM 937 CG2 VAL A 63 -3.637 7.424 -3.516 1.00 0.00 C ATOM 0 H VAL A 63 -2.589 8.908 -5.015 1.00 0.00 H new ATOM 0 HA VAL A 63 -3.678 6.532 -6.321 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.248 8.407 -4.548 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.089 6.244 -3.672 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.281 6.334 -5.439 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.958 5.374 -4.736 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.167 7.394 -2.564 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.035 6.522 -3.625 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -2.988 8.299 -3.543 1.00 0.00 H new ATOM 947 N ASP A 64 -5.386 7.453 -7.906 1.00 0.00 N ATOM 948 CA ASP A 64 -6.273 8.036 -8.935 1.00 0.00 C ATOM 949 C ASP A 64 -7.672 8.148 -8.348 1.00 0.00 C ATOM 950 O ASP A 64 -7.925 7.736 -7.233 1.00 0.00 O ATOM 951 CB ASP A 64 -6.304 7.129 -10.167 1.00 0.00 C ATOM 952 CG ASP A 64 -5.097 7.430 -11.057 1.00 0.00 C ATOM 953 OD1 ASP A 64 -4.979 8.560 -11.500 1.00 0.00 O ATOM 954 OD2 ASP A 64 -4.309 6.525 -11.279 1.00 0.00 O ATOM 0 H ASP A 64 -5.290 6.438 -7.942 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.907 9.019 -9.233 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.291 6.083 -9.861 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.228 7.287 -10.724 1.00 0.00 H new ATOM 959 N VAL A 65 -8.577 8.701 -9.082 1.00 0.00 N ATOM 960 CA VAL A 65 -9.964 8.843 -8.564 1.00 0.00 C ATOM 961 C VAL A 65 -10.967 8.625 -9.696 1.00 0.00 C ATOM 962 O VAL A 65 -11.289 9.533 -10.436 1.00 0.00 O ATOM 963 CB VAL A 65 -10.152 10.245 -7.989 1.00 0.00 C ATOM 964 CG1 VAL A 65 -11.611 10.427 -7.571 1.00 0.00 C ATOM 965 CG2 VAL A 65 -9.243 10.426 -6.771 1.00 0.00 C ATOM 0 H VAL A 65 -8.424 9.065 -10.023 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.131 8.099 -7.785 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.893 10.987 -8.744 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -11.750 11.427 -7.160 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.257 10.299 -8.440 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.868 9.685 -6.815 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.378 11.427 -6.362 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.499 9.686 -6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.203 10.294 -7.070 1.00 0.00 H new ATOM 975 N ALA A 66 -11.471 7.432 -9.834 1.00 0.00 N ATOM 976 CA ALA A 66 -12.458 7.165 -10.917 1.00 0.00 C ATOM 977 C ALA A 66 -13.552 6.233 -10.390 1.00 0.00 C ATOM 978 O ALA A 66 -13.591 5.901 -9.223 1.00 0.00 O ATOM 979 CB ALA A 66 -11.748 6.505 -12.100 1.00 0.00 C ATOM 0 H ALA A 66 -11.243 6.631 -9.245 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.907 8.104 -11.242 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.469 6.309 -12.894 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.969 7.170 -12.474 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -11.299 5.566 -11.777 1.00 0.00 H new ATOM 985 N ASP A 67 -14.441 5.808 -11.247 1.00 0.00 N ATOM 986 CA ASP A 67 -15.532 4.894 -10.805 1.00 0.00 C ATOM 987 C ASP A 67 -16.414 5.599 -9.767 1.00 0.00 C ATOM 988 O ASP A 67 -16.897 4.993 -8.834 1.00 0.00 O ATOM 989 CB ASP A 67 -14.926 3.624 -10.214 1.00 0.00 C ATOM 990 CG ASP A 67 -16.038 2.630 -9.864 1.00 0.00 C ATOM 991 OD1 ASP A 67 -16.539 2.696 -8.755 1.00 0.00 O ATOM 992 OD2 ASP A 67 -16.368 1.818 -10.713 1.00 0.00 O ATOM 0 H ASP A 67 -14.458 6.055 -12.236 1.00 0.00 H new ATOM 0 HA ASP A 67 -16.150 4.625 -11.661 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -14.235 3.174 -10.927 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.349 3.867 -9.322 1.00 0.00 H new ATOM 997 N LYS A 68 -16.634 6.877 -9.940 1.00 0.00 N ATOM 998 CA LYS A 68 -17.492 7.643 -8.986 1.00 0.00 C ATOM 999 C LYS A 68 -16.765 7.813 -7.646 1.00 0.00 C ATOM 1000 O LYS A 68 -17.373 8.077 -6.627 1.00 0.00 O ATOM 1001 CB LYS A 68 -18.842 6.914 -8.810 1.00 0.00 C ATOM 1002 CG LYS A 68 -18.928 6.205 -7.449 1.00 0.00 C ATOM 1003 CD LYS A 68 -20.057 5.173 -7.481 1.00 0.00 C ATOM 1004 CE LYS A 68 -20.945 5.355 -6.250 1.00 0.00 C ATOM 1005 NZ LYS A 68 -22.081 6.259 -6.588 1.00 0.00 N ATOM 0 H LYS A 68 -16.252 7.428 -10.709 1.00 0.00 H new ATOM 0 HA LYS A 68 -17.690 8.638 -9.384 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -19.658 7.631 -8.900 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.969 6.184 -9.610 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -17.981 5.716 -7.221 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -19.109 6.933 -6.659 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -20.647 5.291 -8.390 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -19.643 4.165 -7.499 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -21.322 4.389 -5.914 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -20.365 5.774 -5.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -22.686 6.384 -5.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -21.711 7.183 -6.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -22.639 5.841 -7.360 1.00 0.00 H new ATOM 1019 N GLY A 69 -15.469 7.674 -7.637 1.00 0.00 N ATOM 1020 CA GLY A 69 -14.716 7.837 -6.361 1.00 0.00 C ATOM 1021 C GLY A 69 -14.694 6.509 -5.602 1.00 0.00 C ATOM 1022 O GLY A 69 -14.452 6.470 -4.411 1.00 0.00 O ATOM 0 H GLY A 69 -14.900 7.455 -8.454 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.698 8.166 -6.568 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.182 8.609 -5.749 1.00 0.00 H new ATOM 1026 N TYR A 70 -14.936 5.420 -6.278 1.00 0.00 N ATOM 1027 CA TYR A 70 -14.921 4.103 -5.599 1.00 0.00 C ATOM 1028 C TYR A 70 -13.659 3.353 -6.011 1.00 0.00 C ATOM 1029 O TYR A 70 -13.195 2.461 -5.328 1.00 0.00 O ATOM 1030 CB TYR A 70 -16.148 3.302 -6.013 1.00 0.00 C ATOM 1031 CG TYR A 70 -16.685 2.519 -4.838 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -16.704 3.082 -3.553 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -17.166 1.220 -5.040 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -17.199 2.344 -2.474 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -17.664 0.485 -3.962 1.00 0.00 C ATOM 1036 CZ TYR A 70 -17.681 1.042 -2.684 1.00 0.00 C ATOM 1037 OH TYR A 70 -18.165 0.301 -1.632 1.00 0.00 O ATOM 0 H TYR A 70 -15.144 5.390 -7.276 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.934 4.243 -4.518 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -16.918 3.974 -6.393 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -15.890 2.622 -6.824 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -16.336 4.085 -3.398 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -17.152 0.786 -6.029 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -17.211 2.773 -1.483 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -18.037 -0.517 -4.119 1.00 0.00 H new ATOM 0 HH TYR A 70 -17.770 -0.596 -1.654 1.00 0.00 H new ATOM 1047 N THR A 71 -13.104 3.716 -7.130 1.00 0.00 N ATOM 1048 CA THR A 71 -11.878 3.049 -7.614 1.00 0.00 C ATOM 1049 C THR A 71 -10.678 3.972 -7.389 1.00 0.00 C ATOM 1050 O THR A 71 -10.705 5.134 -7.744 1.00 0.00 O ATOM 1051 CB THR A 71 -12.045 2.774 -9.103 1.00 0.00 C ATOM 1052 OG1 THR A 71 -12.414 3.971 -9.770 1.00 0.00 O ATOM 1053 CG2 THR A 71 -13.119 1.704 -9.310 1.00 0.00 C ATOM 0 H THR A 71 -13.456 4.458 -7.735 1.00 0.00 H new ATOM 0 HA THR A 71 -11.712 2.115 -7.077 1.00 0.00 H new ATOM 0 HB THR A 71 -11.102 2.415 -9.515 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.352 4.725 -9.147 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.237 1.509 -10.376 1.00 0.00 H new ATOM 0 HG22 THR A 71 -12.820 0.786 -8.804 1.00 0.00 H new ATOM 0 HG23 THR A 71 -14.066 2.054 -8.898 1.00 0.00 H new ATOM 1061 N LEU A 72 -9.625 3.467 -6.804 1.00 0.00 N ATOM 1062 CA LEU A 72 -8.428 4.327 -6.564 1.00 0.00 C ATOM 1063 C LEU A 72 -7.167 3.608 -7.049 1.00 0.00 C ATOM 1064 O LEU A 72 -6.636 2.739 -6.386 1.00 0.00 O ATOM 1065 CB LEU A 72 -8.286 4.652 -5.068 1.00 0.00 C ATOM 1066 CG LEU A 72 -9.134 3.697 -4.223 1.00 0.00 C ATOM 1067 CD1 LEU A 72 -8.435 3.451 -2.884 1.00 0.00 C ATOM 1068 CD2 LEU A 72 -10.509 4.325 -3.971 1.00 0.00 C ATOM 0 H LEU A 72 -9.541 2.502 -6.483 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.556 5.258 -7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.240 4.576 -4.772 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.595 5.681 -4.883 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.257 2.752 -4.751 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.036 2.771 -2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.455 3.009 -3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.316 4.397 -2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.114 3.647 -3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.386 5.269 -3.440 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.006 4.507 -4.924 1.00 0.00 H new ATOM 1080 N ASN A 73 -6.676 3.976 -8.202 1.00 0.00 N ATOM 1081 CA ASN A 73 -5.443 3.328 -8.731 1.00 0.00 C ATOM 1082 C ASN A 73 -4.223 3.995 -8.095 1.00 0.00 C ATOM 1083 O ASN A 73 -3.829 5.080 -8.472 1.00 0.00 O ATOM 1084 CB ASN A 73 -5.392 3.498 -10.247 1.00 0.00 C ATOM 1085 CG ASN A 73 -5.983 2.258 -10.923 1.00 0.00 C ATOM 1086 OD1 ASN A 73 -5.264 1.348 -11.284 1.00 0.00 O ATOM 1087 ND2 ASN A 73 -7.272 2.185 -11.109 1.00 0.00 N ATOM 0 H ASN A 73 -7.077 4.698 -8.800 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.447 2.265 -8.491 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.950 4.386 -10.542 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.362 3.646 -10.572 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.677 1.363 -11.558 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.875 2.950 -10.806 1.00 0.00 H new ATOM 1094 N ILE A 74 -3.632 3.362 -7.122 1.00 0.00 N ATOM 1095 CA ILE A 74 -2.449 3.968 -6.451 1.00 0.00 C ATOM 1096 C ILE A 74 -1.196 3.753 -7.307 1.00 0.00 C ATOM 1097 O ILE A 74 -1.076 2.774 -8.013 1.00 0.00 O ATOM 1098 CB ILE A 74 -2.256 3.310 -5.083 1.00 0.00 C ATOM 1099 CG1 ILE A 74 -3.443 3.661 -4.180 1.00 0.00 C ATOM 1100 CG2 ILE A 74 -0.962 3.824 -4.449 1.00 0.00 C ATOM 1101 CD1 ILE A 74 -3.885 2.416 -3.409 1.00 0.00 C ATOM 0 H ILE A 74 -3.917 2.451 -6.762 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.612 5.038 -6.325 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.196 2.228 -5.202 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.163 4.452 -3.484 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.269 4.042 -4.780 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.823 3.356 -3.474 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.118 3.577 -5.093 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.021 4.906 -4.327 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.729 2.666 -2.767 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.182 1.639 -4.113 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.059 2.054 -2.797 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.263 4.668 -7.249 1.00 0.00 N ATOM 1114 CA LYS A 75 0.979 4.527 -8.056 1.00 0.00 C ATOM 1115 C LYS A 75 2.181 4.947 -7.205 1.00 0.00 C ATOM 1116 O LYS A 75 2.660 6.060 -7.297 1.00 0.00 O ATOM 1117 CB LYS A 75 0.880 5.430 -9.281 1.00 0.00 C ATOM 1118 CG LYS A 75 0.663 4.574 -10.529 1.00 0.00 C ATOM 1119 CD LYS A 75 1.888 4.670 -11.436 1.00 0.00 C ATOM 1120 CE LYS A 75 1.441 4.681 -12.901 1.00 0.00 C ATOM 1121 NZ LYS A 75 0.976 6.048 -13.272 1.00 0.00 N ATOM 0 H LYS A 75 -0.311 5.509 -6.674 1.00 0.00 H new ATOM 0 HA LYS A 75 1.103 3.492 -8.374 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.056 6.134 -9.162 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.790 6.020 -9.386 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.489 3.536 -10.245 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.225 4.911 -11.064 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.451 5.576 -11.210 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.555 3.827 -11.255 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.266 4.379 -13.546 1.00 0.00 H new ATOM 0 HE3 LYS A 75 0.638 3.959 -13.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.673 6.054 -14.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.176 6.319 -12.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.754 6.726 -13.143 1.00 0.00 H new ATOM 1135 N PHE A 76 2.671 4.067 -6.373 1.00 0.00 N ATOM 1136 CA PHE A 76 3.844 4.432 -5.519 1.00 0.00 C ATOM 1137 C PHE A 76 5.074 4.603 -6.412 1.00 0.00 C ATOM 1138 O PHE A 76 5.201 3.968 -7.439 1.00 0.00 O ATOM 1139 CB PHE A 76 4.130 3.340 -4.467 1.00 0.00 C ATOM 1140 CG PHE A 76 2.847 2.751 -3.909 1.00 0.00 C ATOM 1141 CD1 PHE A 76 2.229 1.688 -4.570 1.00 0.00 C ATOM 1142 CD2 PHE A 76 2.289 3.252 -2.721 1.00 0.00 C ATOM 1143 CE1 PHE A 76 1.056 1.128 -4.058 1.00 0.00 C ATOM 1144 CE2 PHE A 76 1.115 2.688 -2.206 1.00 0.00 C ATOM 1145 CZ PHE A 76 0.497 1.627 -2.877 1.00 0.00 C ATOM 0 H PHE A 76 2.316 3.119 -6.247 1.00 0.00 H new ATOM 0 HA PHE A 76 3.617 5.361 -4.996 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.729 2.548 -4.917 1.00 0.00 H new ATOM 0 HB3 PHE A 76 4.720 3.763 -3.654 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.659 1.297 -5.480 1.00 0.00 H new ATOM 0 HD2 PHE A 76 2.765 4.072 -2.205 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.580 0.308 -4.575 1.00 0.00 H new ATOM 0 HE2 PHE A 76 0.687 3.072 -1.292 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.411 1.194 -2.483 1.00 0.00 H new ATOM 1155 N ALA A 77 5.982 5.460 -6.028 1.00 0.00 N ATOM 1156 CA ALA A 77 7.202 5.676 -6.857 1.00 0.00 C ATOM 1157 C ALA A 77 8.208 4.555 -6.587 1.00 0.00 C ATOM 1158 O ALA A 77 8.494 3.744 -7.447 1.00 0.00 O ATOM 1159 CB ALA A 77 7.832 7.023 -6.496 1.00 0.00 C ATOM 0 H ALA A 77 5.931 6.019 -5.177 1.00 0.00 H new ATOM 0 HA ALA A 77 6.929 5.673 -7.912 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.724 7.181 -7.102 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.116 7.822 -6.688 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.105 7.026 -5.441 1.00 0.00 H new ATOM 1165 N GLY A 78 8.749 4.503 -5.401 1.00 0.00 N ATOM 1166 CA GLY A 78 9.739 3.437 -5.078 1.00 0.00 C ATOM 1167 C GLY A 78 10.855 4.028 -4.216 1.00 0.00 C ATOM 1168 O GLY A 78 10.665 5.118 -3.702 1.00 0.00 O ATOM 1169 OXT GLY A 78 11.882 3.381 -4.086 1.00 0.00 O ATOM 0 H GLY A 78 8.548 5.153 -4.641 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.250 2.619 -4.549 1.00 0.00 H new ATOM 0 HA3 GLY A 78 10.154 3.020 -5.996 1.00 0.00 H new