USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=17 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 28 ASN : amide:sc= -3.43! C(o=-3.1!,f=-5.3!) USER MOD Set 1.2: A 30 SER OG : rot 180:sc= 0.329 USER MOD Single : A 19 THR OG1 : rot 16:sc= 0.397 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -3.04 K(o=-3,f=-4.7!) USER MOD Single : A 31 THR OG1 : rot -160:sc= -2.37! USER MOD Single : A 32 GLN : amide:sc= -1.31 K(o=-1.3,f=-5.2!) 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 80:sc= -3.6! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -170:sc= -0.347 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= 0.0209 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -164:sc= -0.64 (180deg=-1.46) USER MOD Single : A 58 ASN : amide:sc= -3.27! C(o=-3.3!,f=-2.6!) USER MOD Single : A 61 TYR OH : rot -155:sc= -5.41! USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.115) USER MOD Single : A 70 TYR OH : rot 62:sc= -3.95! USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0.0119 X(o=0.012,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 158:sc= -0.0391 (180deg=-0.616) USER MOD ----------------------------------------------------------------- ATOM 252 N VAL A 18 -22.087 -4.289 -2.442 1.00 0.00 N ATOM 253 CA VAL A 18 -21.229 -3.284 -3.132 1.00 0.00 C ATOM 254 C VAL A 18 -19.823 -3.860 -3.308 1.00 0.00 C ATOM 255 O VAL A 18 -19.528 -4.949 -2.857 1.00 0.00 O ATOM 256 CB VAL A 18 -21.154 -2.001 -2.301 1.00 0.00 C ATOM 257 CG1 VAL A 18 -20.799 -0.827 -3.215 1.00 0.00 C ATOM 258 CG2 VAL A 18 -22.509 -1.731 -1.636 1.00 0.00 C ATOM 0 HA VAL A 18 -21.659 -3.052 -4.106 1.00 0.00 H new ATOM 0 HB VAL A 18 -20.391 -2.116 -1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -20.745 0.089 -2.626 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -19.834 -1.012 -3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -21.565 -0.720 -3.983 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -22.449 -0.816 -1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -23.275 -1.618 -2.403 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -22.768 -2.566 -0.985 1.00 0.00 H new ATOM 268 N THR A 19 -18.949 -3.141 -3.960 1.00 0.00 N ATOM 269 CA THR A 19 -17.564 -3.656 -4.158 1.00 0.00 C ATOM 270 C THR A 19 -16.624 -2.498 -4.487 1.00 0.00 C ATOM 271 O THR A 19 -16.763 -1.835 -5.495 1.00 0.00 O ATOM 272 CB THR A 19 -17.557 -4.673 -5.301 1.00 0.00 C ATOM 273 OG1 THR A 19 -18.126 -5.893 -4.848 1.00 0.00 O ATOM 274 CG2 THR A 19 -16.123 -4.921 -5.769 1.00 0.00 C ATOM 0 H THR A 19 -19.134 -2.222 -4.363 1.00 0.00 H new ATOM 0 HA THR A 19 -17.223 -4.140 -3.243 1.00 0.00 H new ATOM 0 HB THR A 19 -18.141 -4.282 -6.134 1.00 0.00 H new ATOM 0 HG1 THR A 19 -18.611 -5.737 -4.011 1.00 0.00 H new ATOM 0 HG21 THR A 19 -16.126 -5.646 -6.583 1.00 0.00 H new ATOM 0 HG22 THR A 19 -15.687 -3.985 -6.119 1.00 0.00 H new ATOM 0 HG23 THR A 19 -15.532 -5.309 -4.940 1.00 0.00 H new ATOM 282 N ILE A 20 -15.668 -2.255 -3.637 1.00 0.00 N ATOM 283 CA ILE A 20 -14.710 -1.144 -3.875 1.00 0.00 C ATOM 284 C ILE A 20 -13.327 -1.728 -4.153 1.00 0.00 C ATOM 285 O ILE A 20 -12.655 -2.215 -3.268 1.00 0.00 O ATOM 286 CB ILE A 20 -14.667 -0.279 -2.620 1.00 0.00 C ATOM 287 CG1 ILE A 20 -13.794 0.951 -2.858 1.00 0.00 C ATOM 288 CG2 ILE A 20 -14.096 -1.093 -1.466 1.00 0.00 C ATOM 289 CD1 ILE A 20 -14.355 2.119 -2.048 1.00 0.00 C ATOM 0 H ILE A 20 -15.509 -2.784 -2.780 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.019 -0.543 -4.730 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.678 0.047 -2.376 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -12.765 0.746 -2.562 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -13.776 1.202 -3.919 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -14.064 -0.477 -0.567 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.727 -1.963 -1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -13.087 -1.422 -1.717 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -13.739 3.003 -2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.377 2.325 -2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -14.350 1.863 -0.989 1.00 0.00 H new ATOM 301 N LYS A 21 -12.896 -1.707 -5.378 1.00 0.00 N ATOM 302 CA LYS A 21 -11.565 -2.289 -5.684 1.00 0.00 C ATOM 303 C LYS A 21 -10.513 -1.190 -5.818 1.00 0.00 C ATOM 304 O LYS A 21 -10.703 -0.208 -6.506 1.00 0.00 O ATOM 305 CB LYS A 21 -11.639 -3.066 -6.994 1.00 0.00 C ATOM 306 CG LYS A 21 -10.301 -3.763 -7.233 1.00 0.00 C ATOM 307 CD LYS A 21 -10.137 -4.061 -8.724 1.00 0.00 C ATOM 308 CE LYS A 21 -10.746 -5.426 -9.043 1.00 0.00 C ATOM 309 NZ LYS A 21 -11.478 -5.352 -10.338 1.00 0.00 N ATOM 0 H LYS A 21 -13.401 -1.317 -6.174 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.282 -2.953 -4.867 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.444 -3.800 -6.952 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.865 -2.392 -7.820 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.483 -3.131 -6.886 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.254 -4.689 -6.659 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.625 -3.286 -9.316 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.081 -4.051 -8.993 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.963 -6.182 -9.098 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.425 -5.729 -8.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.893 -6.280 -10.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -12.235 -4.642 -10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.818 -5.081 -11.095 1.00 0.00 H new ATOM 323 N ALA A 22 -9.393 -1.371 -5.180 1.00 0.00 N ATOM 324 CA ALA A 22 -8.301 -0.367 -5.277 1.00 0.00 C ATOM 325 C ALA A 22 -7.173 -0.971 -6.103 1.00 0.00 C ATOM 326 O ALA A 22 -7.337 -1.989 -6.743 1.00 0.00 O ATOM 327 CB ALA A 22 -7.782 -0.032 -3.878 1.00 0.00 C ATOM 0 H ALA A 22 -9.186 -2.178 -4.591 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.671 0.545 -5.745 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.982 0.704 -3.953 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.594 0.376 -3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.399 -0.937 -3.406 1.00 0.00 H new ATOM 333 N ASN A 23 -6.033 -0.358 -6.097 1.00 0.00 N ATOM 334 CA ASN A 23 -4.895 -0.905 -6.876 1.00 0.00 C ATOM 335 C ASN A 23 -3.588 -0.332 -6.346 1.00 0.00 C ATOM 336 O ASN A 23 -3.517 0.814 -5.970 1.00 0.00 O ATOM 337 CB ASN A 23 -5.068 -0.553 -8.348 1.00 0.00 C ATOM 338 CG ASN A 23 -5.559 -1.776 -9.118 1.00 0.00 C ATOM 339 OD1 ASN A 23 -4.768 -2.562 -9.602 1.00 0.00 O ATOM 340 ND2 ASN A 23 -6.840 -1.968 -9.259 1.00 0.00 N ATOM 0 H ASN A 23 -5.836 0.502 -5.585 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.870 -1.990 -6.773 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.780 0.265 -8.454 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.121 -0.207 -8.762 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -7.180 -2.779 -9.776 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.502 -1.308 -8.852 1.00 0.00 H new ATOM 347 N LEU A 24 -2.561 -1.132 -6.295 1.00 0.00 N ATOM 348 CA LEU A 24 -1.256 -0.645 -5.764 1.00 0.00 C ATOM 349 C LEU A 24 -0.151 -0.847 -6.811 1.00 0.00 C ATOM 350 O LEU A 24 0.332 -1.941 -7.004 1.00 0.00 O ATOM 351 CB LEU A 24 -0.903 -1.451 -4.517 1.00 0.00 C ATOM 352 CG LEU A 24 -2.099 -1.484 -3.563 1.00 0.00 C ATOM 353 CD1 LEU A 24 -1.619 -1.937 -2.189 1.00 0.00 C ATOM 354 CD2 LEU A 24 -2.710 -0.088 -3.440 1.00 0.00 C ATOM 0 H LEU A 24 -2.568 -2.106 -6.599 1.00 0.00 H new ATOM 0 HA LEU A 24 -1.337 0.416 -5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.622 -2.466 -4.797 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.041 -1.008 -4.019 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.851 -2.172 -3.950 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.463 -1.965 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.181 -2.932 -2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.869 -1.239 -1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -3.560 -0.122 -2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.962 0.604 -3.052 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.044 0.251 -4.421 1.00 0.00 H new ATOM 366 N ILE A 25 0.266 0.192 -7.480 1.00 0.00 N ATOM 367 CA ILE A 25 1.350 0.027 -8.494 1.00 0.00 C ATOM 368 C ILE A 25 2.692 0.397 -7.853 1.00 0.00 C ATOM 369 O ILE A 25 2.753 1.212 -6.954 1.00 0.00 O ATOM 370 CB ILE A 25 1.078 0.941 -9.695 1.00 0.00 C ATOM 371 CG1 ILE A 25 -0.011 0.320 -10.572 1.00 0.00 C ATOM 372 CG2 ILE A 25 2.354 1.105 -10.523 1.00 0.00 C ATOM 373 CD1 ILE A 25 -1.350 0.374 -9.838 1.00 0.00 C ATOM 0 H ILE A 25 -0.092 1.141 -7.372 1.00 0.00 H new ATOM 0 HA ILE A 25 1.380 -1.007 -8.837 1.00 0.00 H new ATOM 0 HB ILE A 25 0.751 1.916 -9.334 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.081 0.857 -11.518 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.244 -0.713 -10.810 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.154 1.755 -11.375 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.135 1.547 -9.904 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.683 0.130 -10.881 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.126 -0.068 -10.463 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.275 -0.182 -8.904 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.605 1.412 -9.623 1.00 0.00 H new ATOM 385 N PHE A 26 3.768 -0.195 -8.301 1.00 0.00 N ATOM 386 CA PHE A 26 5.090 0.134 -7.701 1.00 0.00 C ATOM 387 C PHE A 26 5.977 0.839 -8.714 1.00 0.00 C ATOM 388 O PHE A 26 5.715 0.862 -9.899 1.00 0.00 O ATOM 389 CB PHE A 26 5.784 -1.131 -7.234 1.00 0.00 C ATOM 390 CG PHE A 26 5.165 -1.589 -5.936 1.00 0.00 C ATOM 391 CD1 PHE A 26 5.664 -1.110 -4.719 1.00 0.00 C ATOM 392 CD2 PHE A 26 4.088 -2.486 -5.947 1.00 0.00 C ATOM 393 CE1 PHE A 26 5.090 -1.525 -3.513 1.00 0.00 C ATOM 394 CE2 PHE A 26 3.512 -2.903 -4.740 1.00 0.00 C ATOM 395 CZ PHE A 26 4.014 -2.423 -3.523 1.00 0.00 C ATOM 0 H PHE A 26 3.787 -0.886 -9.051 1.00 0.00 H new ATOM 0 HA PHE A 26 4.919 0.794 -6.851 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.691 -1.911 -7.990 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.849 -0.946 -7.097 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.494 -0.419 -4.711 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.702 -2.856 -6.886 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.476 -1.154 -2.575 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.682 -3.594 -4.747 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.571 -2.745 -2.592 1.00 0.00 H new ATOM 405 N ALA A 27 7.032 1.407 -8.227 1.00 0.00 N ATOM 406 CA ALA A 27 7.991 2.127 -9.107 1.00 0.00 C ATOM 407 C ALA A 27 8.952 1.120 -9.735 1.00 0.00 C ATOM 408 O ALA A 27 9.509 1.348 -10.791 1.00 0.00 O ATOM 409 CB ALA A 27 8.783 3.136 -8.270 1.00 0.00 C ATOM 0 H ALA A 27 7.280 1.406 -7.238 1.00 0.00 H new ATOM 0 HA ALA A 27 7.448 2.651 -9.893 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.488 3.667 -8.910 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.096 3.850 -7.816 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.329 2.610 -7.487 1.00 0.00 H new ATOM 415 N ASN A 28 9.164 0.014 -9.078 1.00 0.00 N ATOM 416 CA ASN A 28 10.103 -1.003 -9.619 1.00 0.00 C ATOM 417 C ASN A 28 9.531 -1.606 -10.907 1.00 0.00 C ATOM 418 O ASN A 28 10.255 -1.923 -11.829 1.00 0.00 O ATOM 419 CB ASN A 28 10.331 -2.092 -8.555 1.00 0.00 C ATOM 420 CG ASN A 28 9.408 -3.295 -8.788 1.00 0.00 C ATOM 421 OD1 ASN A 28 8.496 -3.535 -8.023 1.00 0.00 O ATOM 422 ND2 ASN A 28 9.614 -4.066 -9.820 1.00 0.00 N ATOM 0 H ASN A 28 8.726 -0.228 -8.189 1.00 0.00 H new ATOM 0 HA ASN A 28 11.059 -0.538 -9.859 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.371 -2.417 -8.581 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.151 -1.678 -7.563 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.009 -4.871 -9.984 1.00 0.00 H new ATOM 0 HD22 ASN A 28 10.380 -3.864 -10.462 1.00 0.00 H new ATOM 429 N GLY A 29 8.241 -1.765 -10.973 1.00 0.00 N ATOM 430 CA GLY A 29 7.627 -2.347 -12.196 1.00 0.00 C ATOM 431 C GLY A 29 6.616 -3.420 -11.795 1.00 0.00 C ATOM 432 O GLY A 29 5.772 -3.815 -12.575 1.00 0.00 O ATOM 0 H GLY A 29 7.585 -1.517 -10.233 1.00 0.00 H new ATOM 0 HA2 GLY A 29 7.135 -1.566 -12.776 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.399 -2.779 -12.833 1.00 0.00 H new ATOM 436 N SER A 30 6.688 -3.894 -10.580 1.00 0.00 N ATOM 437 CA SER A 30 5.723 -4.935 -10.133 1.00 0.00 C ATOM 438 C SER A 30 4.452 -4.245 -9.645 1.00 0.00 C ATOM 439 O SER A 30 4.481 -3.452 -8.726 1.00 0.00 O ATOM 440 CB SER A 30 6.337 -5.751 -8.993 1.00 0.00 C ATOM 441 OG SER A 30 7.592 -6.274 -9.411 1.00 0.00 O ATOM 0 H SER A 30 7.372 -3.605 -9.881 1.00 0.00 H new ATOM 0 HA SER A 30 5.488 -5.605 -10.960 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.467 -5.124 -8.111 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.668 -6.563 -8.711 1.00 0.00 H new ATOM 0 HG SER A 30 7.988 -6.796 -8.682 1.00 0.00 H new ATOM 447 N THR A 31 3.337 -4.527 -10.260 1.00 0.00 N ATOM 448 CA THR A 31 2.071 -3.870 -9.835 1.00 0.00 C ATOM 449 C THR A 31 1.147 -4.895 -9.174 1.00 0.00 C ATOM 450 O THR A 31 1.405 -6.082 -9.187 1.00 0.00 O ATOM 451 CB THR A 31 1.374 -3.278 -11.062 1.00 0.00 C ATOM 452 OG1 THR A 31 0.102 -2.773 -10.686 1.00 0.00 O ATOM 453 CG2 THR A 31 1.194 -4.364 -12.121 1.00 0.00 C ATOM 0 H THR A 31 3.248 -5.182 -11.037 1.00 0.00 H new ATOM 0 HA THR A 31 2.299 -3.080 -9.120 1.00 0.00 H new ATOM 0 HB THR A 31 1.982 -2.470 -11.469 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.465 -2.689 -11.481 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.697 -3.942 -12.995 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.169 -4.754 -12.411 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.586 -5.172 -11.714 1.00 0.00 H new ATOM 461 N GLN A 32 0.064 -4.439 -8.604 1.00 0.00 N ATOM 462 CA GLN A 32 -0.895 -5.370 -7.946 1.00 0.00 C ATOM 463 C GLN A 32 -2.229 -4.646 -7.758 1.00 0.00 C ATOM 464 O GLN A 32 -2.362 -3.483 -8.087 1.00 0.00 O ATOM 465 CB GLN A 32 -0.348 -5.814 -6.586 1.00 0.00 C ATOM 466 CG GLN A 32 0.566 -4.730 -6.011 1.00 0.00 C ATOM 467 CD GLN A 32 0.837 -5.025 -4.534 1.00 0.00 C ATOM 468 OE1 GLN A 32 0.631 -4.179 -3.687 1.00 0.00 O ATOM 469 NE2 GLN A 32 1.291 -6.197 -4.188 1.00 0.00 N ATOM 0 H GLN A 32 -0.198 -3.454 -8.566 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.036 -6.254 -8.568 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.172 -6.009 -5.899 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.204 -6.747 -6.694 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.504 -4.698 -6.565 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.099 -3.751 -6.118 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.464 -6.907 -4.899 1.00 0.00 H new ATOM 0 HE22 GLN A 32 1.473 -6.404 -3.206 1.00 0.00 H new ATOM 478 N THR A 33 -3.225 -5.318 -7.253 1.00 0.00 N ATOM 479 CA THR A 33 -4.541 -4.662 -7.070 1.00 0.00 C ATOM 480 C THR A 33 -5.049 -4.890 -5.639 1.00 0.00 C ATOM 481 O THR A 33 -4.433 -5.579 -4.850 1.00 0.00 O ATOM 482 CB THR A 33 -5.528 -5.272 -8.060 1.00 0.00 C ATOM 483 OG1 THR A 33 -6.075 -6.464 -7.513 1.00 0.00 O ATOM 484 CG2 THR A 33 -4.810 -5.594 -9.373 1.00 0.00 C ATOM 0 H THR A 33 -3.181 -6.294 -6.960 1.00 0.00 H new ATOM 0 HA THR A 33 -4.444 -3.590 -7.242 1.00 0.00 H new ATOM 0 HB THR A 33 -6.330 -4.560 -8.253 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.710 -6.854 -8.149 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.518 -6.030 -10.078 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.395 -4.679 -9.795 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.005 -6.303 -9.183 1.00 0.00 H new ATOM 492 N ALA A 34 -6.180 -4.322 -5.312 1.00 0.00 N ATOM 493 CA ALA A 34 -6.758 -4.497 -3.946 1.00 0.00 C ATOM 494 C ALA A 34 -8.280 -4.592 -4.075 1.00 0.00 C ATOM 495 O ALA A 34 -8.843 -4.187 -5.073 1.00 0.00 O ATOM 496 CB ALA A 34 -6.389 -3.295 -3.072 1.00 0.00 C ATOM 0 H ALA A 34 -6.734 -3.738 -5.939 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.363 -5.402 -3.485 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.812 -3.426 -2.076 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.304 -3.218 -2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.788 -2.384 -3.519 1.00 0.00 H new ATOM 502 N GLU A 35 -8.962 -5.130 -3.097 1.00 0.00 N ATOM 503 CA GLU A 35 -10.444 -5.239 -3.226 1.00 0.00 C ATOM 504 C GLU A 35 -11.113 -5.446 -1.861 1.00 0.00 C ATOM 505 O GLU A 35 -11.002 -6.496 -1.261 1.00 0.00 O ATOM 506 CB GLU A 35 -10.772 -6.431 -4.125 1.00 0.00 C ATOM 507 CG GLU A 35 -11.956 -6.090 -5.033 1.00 0.00 C ATOM 508 CD GLU A 35 -12.868 -7.312 -5.153 1.00 0.00 C ATOM 509 OE1 GLU A 35 -12.600 -8.295 -4.482 1.00 0.00 O ATOM 510 OE2 GLU A 35 -13.820 -7.242 -5.912 1.00 0.00 O ATOM 0 H GLU A 35 -8.565 -5.492 -2.230 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.822 -4.311 -3.654 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -9.903 -6.692 -4.729 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -11.010 -7.303 -3.515 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -12.511 -5.246 -4.624 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -11.599 -5.790 -6.018 1.00 0.00 H new ATOM 517 N PHE A 36 -11.849 -4.473 -1.389 1.00 0.00 N ATOM 518 CA PHE A 36 -12.566 -4.647 -0.093 1.00 0.00 C ATOM 519 C PHE A 36 -14.060 -4.428 -0.344 1.00 0.00 C ATOM 520 O PHE A 36 -14.566 -3.334 -0.211 1.00 0.00 O ATOM 521 CB PHE A 36 -12.086 -3.655 0.965 1.00 0.00 C ATOM 522 CG PHE A 36 -10.831 -2.927 0.534 1.00 0.00 C ATOM 523 CD1 PHE A 36 -10.850 -2.076 -0.575 1.00 0.00 C ATOM 524 CD2 PHE A 36 -9.652 -3.079 1.277 1.00 0.00 C ATOM 525 CE1 PHE A 36 -9.693 -1.380 -0.944 1.00 0.00 C ATOM 526 CE2 PHE A 36 -8.492 -2.387 0.906 1.00 0.00 C ATOM 527 CZ PHE A 36 -8.510 -1.537 -0.203 1.00 0.00 C ATOM 0 H PHE A 36 -11.983 -3.570 -1.843 1.00 0.00 H new ATOM 0 HA PHE A 36 -12.366 -5.650 0.283 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.875 -2.930 1.166 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.895 -4.185 1.898 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -11.758 -1.956 -1.147 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.638 -3.731 2.138 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.710 -0.721 -1.800 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.584 -2.510 1.477 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.617 -1.002 -0.490 1.00 0.00 H new ATOM 537 N LYS A 37 -14.766 -5.458 -0.720 1.00 0.00 N ATOM 538 CA LYS A 37 -16.220 -5.300 -1.007 1.00 0.00 C ATOM 539 C LYS A 37 -17.012 -5.229 0.298 1.00 0.00 C ATOM 540 O LYS A 37 -16.543 -5.622 1.348 1.00 0.00 O ATOM 541 CB LYS A 37 -16.705 -6.491 -1.832 1.00 0.00 C ATOM 542 CG LYS A 37 -15.700 -6.796 -2.947 1.00 0.00 C ATOM 543 CD LYS A 37 -15.594 -8.311 -3.137 1.00 0.00 C ATOM 544 CE LYS A 37 -15.596 -8.640 -4.631 1.00 0.00 C ATOM 545 NZ LYS A 37 -16.674 -9.626 -4.923 1.00 0.00 N ATOM 0 H LYS A 37 -14.400 -6.402 -0.841 1.00 0.00 H new ATOM 0 HA LYS A 37 -16.374 -4.376 -1.565 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.826 -7.364 -1.191 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.683 -6.273 -2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -16.017 -6.323 -3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.724 -6.381 -2.695 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -14.681 -8.683 -2.673 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.428 -8.809 -2.643 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -15.752 -7.732 -5.214 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.628 -9.046 -4.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.675 -9.849 -5.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.506 -10.496 -4.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -17.595 -9.223 -4.657 1.00 0.00 H new ATOM 559 N GLY A 38 -18.210 -4.712 0.237 1.00 0.00 N ATOM 560 CA GLY A 38 -19.042 -4.591 1.468 1.00 0.00 C ATOM 561 C GLY A 38 -19.329 -3.110 1.721 1.00 0.00 C ATOM 562 O GLY A 38 -20.088 -2.486 1.008 1.00 0.00 O ATOM 0 H GLY A 38 -18.649 -4.367 -0.616 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.975 -5.142 1.349 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.521 -5.026 2.321 1.00 0.00 H new ATOM 566 N THR A 39 -18.713 -2.535 2.719 1.00 0.00 N ATOM 567 CA THR A 39 -18.941 -1.089 2.998 1.00 0.00 C ATOM 568 C THR A 39 -18.703 -0.299 1.707 1.00 0.00 C ATOM 569 O THR A 39 -18.395 -0.869 0.678 1.00 0.00 O ATOM 570 CB THR A 39 -17.965 -0.624 4.080 1.00 0.00 C ATOM 571 OG1 THR A 39 -18.022 0.789 4.198 1.00 0.00 O ATOM 572 CG2 THR A 39 -16.546 -1.050 3.702 1.00 0.00 C ATOM 0 H THR A 39 -18.064 -3.003 3.351 1.00 0.00 H new ATOM 0 HA THR A 39 -19.961 -0.927 3.346 1.00 0.00 H new ATOM 0 HB THR A 39 -18.238 -1.076 5.033 1.00 0.00 H new ATOM 0 HG1 THR A 39 -18.803 1.041 4.734 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.849 -0.719 4.472 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.503 -2.136 3.616 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.273 -0.599 2.748 1.00 0.00 H new ATOM 580 N PHE A 40 -18.851 1.001 1.729 1.00 0.00 N ATOM 581 CA PHE A 40 -18.634 1.772 0.474 1.00 0.00 C ATOM 582 C PHE A 40 -17.399 2.663 0.579 1.00 0.00 C ATOM 583 O PHE A 40 -16.293 2.233 0.321 1.00 0.00 O ATOM 584 CB PHE A 40 -19.866 2.623 0.161 1.00 0.00 C ATOM 585 CG PHE A 40 -19.649 3.355 -1.145 1.00 0.00 C ATOM 586 CD1 PHE A 40 -19.819 2.675 -2.358 1.00 0.00 C ATOM 587 CD2 PHE A 40 -19.267 4.705 -1.147 1.00 0.00 C ATOM 588 CE1 PHE A 40 -19.606 3.342 -3.571 1.00 0.00 C ATOM 589 CE2 PHE A 40 -19.057 5.370 -2.361 1.00 0.00 C ATOM 590 CZ PHE A 40 -19.224 4.689 -3.573 1.00 0.00 C ATOM 0 H PHE A 40 -19.108 1.552 2.548 1.00 0.00 H new ATOM 0 HA PHE A 40 -18.471 1.060 -0.335 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -20.751 1.991 0.094 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -20.044 3.336 0.966 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -20.114 1.636 -2.358 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -19.135 5.231 -0.213 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -19.737 2.817 -4.506 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -18.766 6.410 -2.363 1.00 0.00 H new ATOM 0 HZ PHE A 40 -19.058 5.202 -4.509 1.00 0.00 H new ATOM 600 N GLU A 41 -17.572 3.901 0.929 1.00 0.00 N ATOM 601 CA GLU A 41 -16.401 4.806 1.014 1.00 0.00 C ATOM 602 C GLU A 41 -15.601 4.490 2.273 1.00 0.00 C ATOM 603 O GLU A 41 -14.478 4.926 2.431 1.00 0.00 O ATOM 604 CB GLU A 41 -16.885 6.251 1.021 1.00 0.00 C ATOM 605 CG GLU A 41 -15.687 7.197 0.949 1.00 0.00 C ATOM 606 CD GLU A 41 -15.992 8.467 1.746 1.00 0.00 C ATOM 607 OE1 GLU A 41 -17.124 8.614 2.178 1.00 0.00 O ATOM 608 OE2 GLU A 41 -15.090 9.271 1.910 1.00 0.00 O ATOM 0 H GLU A 41 -18.471 4.325 1.159 1.00 0.00 H new ATOM 0 HA GLU A 41 -15.751 4.660 0.152 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -17.550 6.426 0.175 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -17.461 6.447 1.925 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -14.799 6.708 1.350 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -15.471 7.449 -0.089 1.00 0.00 H new ATOM 615 N LYS A 42 -16.152 3.705 3.159 1.00 0.00 N ATOM 616 CA LYS A 42 -15.393 3.337 4.371 1.00 0.00 C ATOM 617 C LYS A 42 -14.185 2.525 3.912 1.00 0.00 C ATOM 618 O LYS A 42 -13.127 2.559 4.507 1.00 0.00 O ATOM 619 CB LYS A 42 -16.270 2.500 5.305 1.00 0.00 C ATOM 620 CG LYS A 42 -16.146 3.033 6.734 1.00 0.00 C ATOM 621 CD LYS A 42 -16.808 4.409 6.819 1.00 0.00 C ATOM 622 CE LYS A 42 -17.244 4.678 8.260 1.00 0.00 C ATOM 623 NZ LYS A 42 -18.610 5.274 8.260 1.00 0.00 N ATOM 0 H LYS A 42 -17.089 3.309 3.090 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.077 4.225 4.918 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -17.309 2.541 4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.965 1.454 5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -16.620 2.345 7.434 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -15.096 3.104 7.018 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -16.112 5.180 6.489 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -17.670 4.451 6.153 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.240 3.750 8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -16.540 5.354 8.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -18.909 5.458 9.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -18.599 6.168 7.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -19.277 4.613 7.813 1.00 0.00 H new ATOM 637 N ALA A 43 -14.342 1.819 2.822 1.00 0.00 N ATOM 638 CA ALA A 43 -13.217 1.021 2.266 1.00 0.00 C ATOM 639 C ALA A 43 -12.187 1.989 1.697 1.00 0.00 C ATOM 640 O ALA A 43 -11.023 1.684 1.613 1.00 0.00 O ATOM 641 CB ALA A 43 -13.734 0.116 1.153 1.00 0.00 C ATOM 0 H ALA A 43 -15.211 1.763 2.291 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.769 0.404 3.045 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.909 -0.468 0.746 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.492 -0.557 1.554 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.171 0.725 0.362 1.00 0.00 H new ATOM 647 N THR A 44 -12.618 3.158 1.308 1.00 0.00 N ATOM 648 CA THR A 44 -11.662 4.165 0.753 1.00 0.00 C ATOM 649 C THR A 44 -10.565 4.449 1.784 1.00 0.00 C ATOM 650 O THR A 44 -9.422 4.666 1.439 1.00 0.00 O ATOM 651 CB THR A 44 -12.410 5.459 0.445 1.00 0.00 C ATOM 652 OG1 THR A 44 -13.506 5.181 -0.416 1.00 0.00 O ATOM 653 CG2 THR A 44 -11.463 6.450 -0.232 1.00 0.00 C ATOM 0 H THR A 44 -13.591 3.462 1.350 1.00 0.00 H new ATOM 0 HA THR A 44 -11.214 3.775 -0.161 1.00 0.00 H new ATOM 0 HB THR A 44 -12.781 5.893 1.374 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.889 6.023 -0.740 1.00 0.00 H new ATOM 0 HG21 THR A 44 -11.999 7.374 -0.451 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.626 6.665 0.432 1.00 0.00 H new ATOM 0 HG23 THR A 44 -11.088 6.019 -1.160 1.00 0.00 H new ATOM 661 N SER A 45 -10.904 4.452 3.045 1.00 0.00 N ATOM 662 CA SER A 45 -9.875 4.720 4.094 1.00 0.00 C ATOM 663 C SER A 45 -9.061 3.448 4.335 1.00 0.00 C ATOM 664 O SER A 45 -7.859 3.496 4.502 1.00 0.00 O ATOM 665 CB SER A 45 -10.565 5.144 5.393 1.00 0.00 C ATOM 666 OG SER A 45 -10.529 6.561 5.503 1.00 0.00 O ATOM 0 H SER A 45 -11.847 4.281 3.395 1.00 0.00 H new ATOM 0 HA SER A 45 -9.213 5.520 3.763 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.597 4.793 5.401 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.066 4.688 6.249 1.00 0.00 H new ATOM 0 HG SER A 45 -10.972 6.836 6.333 1.00 0.00 H new ATOM 672 N GLU A 46 -9.700 2.309 4.340 1.00 0.00 N ATOM 673 CA GLU A 46 -8.948 1.039 4.551 1.00 0.00 C ATOM 674 C GLU A 46 -8.072 0.782 3.325 1.00 0.00 C ATOM 675 O GLU A 46 -7.089 0.071 3.382 1.00 0.00 O ATOM 676 CB GLU A 46 -9.927 -0.117 4.728 1.00 0.00 C ATOM 677 CG GLU A 46 -9.573 -0.897 5.996 1.00 0.00 C ATOM 678 CD GLU A 46 -9.272 -2.353 5.635 1.00 0.00 C ATOM 679 OE1 GLU A 46 -10.209 -3.074 5.333 1.00 0.00 O ATOM 680 OE2 GLU A 46 -8.110 -2.724 5.668 1.00 0.00 O ATOM 0 H GLU A 46 -10.706 2.203 4.208 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.329 1.119 5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.946 0.263 4.795 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.889 -0.776 3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.708 -0.446 6.483 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.399 -0.851 6.706 1.00 0.00 H new ATOM 687 N ALA A 47 -8.419 1.382 2.220 1.00 0.00 N ATOM 688 CA ALA A 47 -7.615 1.214 0.983 1.00 0.00 C ATOM 689 C ALA A 47 -6.434 2.167 1.076 1.00 0.00 C ATOM 690 O ALA A 47 -5.301 1.807 0.838 1.00 0.00 O ATOM 691 CB ALA A 47 -8.466 1.565 -0.241 1.00 0.00 C ATOM 0 H ALA A 47 -9.234 1.987 2.123 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.274 0.184 0.882 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.871 1.440 -1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.333 0.906 -0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -8.801 2.600 -0.167 1.00 0.00 H new ATOM 697 N TYR A 48 -6.706 3.384 1.450 1.00 0.00 N ATOM 698 CA TYR A 48 -5.624 4.378 1.596 1.00 0.00 C ATOM 699 C TYR A 48 -4.639 3.856 2.634 1.00 0.00 C ATOM 700 O TYR A 48 -3.452 4.104 2.573 1.00 0.00 O ATOM 701 CB TYR A 48 -6.226 5.705 2.048 1.00 0.00 C ATOM 702 CG TYR A 48 -5.516 6.837 1.353 1.00 0.00 C ATOM 703 CD1 TYR A 48 -5.512 6.901 -0.044 1.00 0.00 C ATOM 704 CD2 TYR A 48 -4.862 7.823 2.103 1.00 0.00 C ATOM 705 CE1 TYR A 48 -4.854 7.951 -0.693 1.00 0.00 C ATOM 706 CE2 TYR A 48 -4.204 8.875 1.451 1.00 0.00 C ATOM 707 CZ TYR A 48 -4.200 8.938 0.054 1.00 0.00 C ATOM 708 OH TYR A 48 -3.551 9.974 -0.589 1.00 0.00 O ATOM 0 H TYR A 48 -7.642 3.730 1.661 1.00 0.00 H new ATOM 0 HA TYR A 48 -5.106 4.535 0.650 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.291 5.732 1.817 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.132 5.811 3.129 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -6.017 6.140 -0.621 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.865 7.773 3.182 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -4.850 8.000 -1.772 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.700 9.637 2.027 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.151 10.572 0.076 1.00 0.00 H new ATOM 718 N ALA A 49 -5.136 3.103 3.571 1.00 0.00 N ATOM 719 CA ALA A 49 -4.254 2.514 4.613 1.00 0.00 C ATOM 720 C ALA A 49 -3.589 1.271 4.028 1.00 0.00 C ATOM 721 O ALA A 49 -2.498 0.897 4.405 1.00 0.00 O ATOM 722 CB ALA A 49 -5.087 2.121 5.835 1.00 0.00 C ATOM 0 H ALA A 49 -6.124 2.868 3.661 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.500 3.239 4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.436 1.690 6.596 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.581 3.005 6.238 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.838 1.388 5.543 1.00 0.00 H new ATOM 728 N TYR A 50 -4.246 0.633 3.094 1.00 0.00 N ATOM 729 CA TYR A 50 -3.665 -0.580 2.460 1.00 0.00 C ATOM 730 C TYR A 50 -2.367 -0.185 1.752 1.00 0.00 C ATOM 731 O TYR A 50 -1.329 -0.789 1.941 1.00 0.00 O ATOM 732 CB TYR A 50 -4.670 -1.131 1.449 1.00 0.00 C ATOM 733 CG TYR A 50 -4.175 -2.434 0.866 1.00 0.00 C ATOM 734 CD1 TYR A 50 -3.370 -3.296 1.625 1.00 0.00 C ATOM 735 CD2 TYR A 50 -4.536 -2.782 -0.439 1.00 0.00 C ATOM 736 CE1 TYR A 50 -2.929 -4.505 1.073 1.00 0.00 C ATOM 737 CE2 TYR A 50 -4.095 -3.987 -0.991 1.00 0.00 C ATOM 738 CZ TYR A 50 -3.292 -4.851 -0.235 1.00 0.00 C ATOM 739 OH TYR A 50 -2.857 -6.042 -0.780 1.00 0.00 O ATOM 0 H TYR A 50 -5.165 0.904 2.744 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.451 -1.344 3.207 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.634 -1.286 1.933 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -4.827 -0.405 0.651 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.091 -3.028 2.633 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -5.157 -2.118 -1.022 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.309 -5.171 1.656 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.373 -4.253 -2.000 1.00 0.00 H new ATOM 0 HH TYR A 50 -3.199 -6.128 -1.694 1.00 0.00 H new ATOM 749 N ALA A 51 -2.424 0.841 0.949 1.00 0.00 N ATOM 750 CA ALA A 51 -1.209 1.315 0.224 1.00 0.00 C ATOM 751 C ALA A 51 -0.341 2.151 1.172 1.00 0.00 C ATOM 752 O ALA A 51 0.685 2.670 0.789 1.00 0.00 O ATOM 753 CB ALA A 51 -1.646 2.174 -0.965 1.00 0.00 C ATOM 0 H ALA A 51 -3.270 1.378 0.761 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.631 0.461 -0.130 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.766 2.526 -1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.266 1.579 -1.635 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.218 3.029 -0.605 1.00 0.00 H new ATOM 759 N ASP A 52 -0.743 2.289 2.408 1.00 0.00 N ATOM 760 CA ASP A 52 0.067 3.100 3.366 1.00 0.00 C ATOM 761 C ASP A 52 1.016 2.192 4.155 1.00 0.00 C ATOM 762 O ASP A 52 2.195 2.468 4.272 1.00 0.00 O ATOM 763 CB ASP A 52 -0.869 3.824 4.338 1.00 0.00 C ATOM 764 CG ASP A 52 -0.438 5.287 4.475 1.00 0.00 C ATOM 765 OD1 ASP A 52 0.720 5.569 4.218 1.00 0.00 O ATOM 766 OD2 ASP A 52 -1.275 6.099 4.835 1.00 0.00 O ATOM 0 H ASP A 52 -1.593 1.878 2.795 1.00 0.00 H new ATOM 0 HA ASP A 52 0.654 3.829 2.807 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.896 3.770 3.978 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.847 3.335 5.312 1.00 0.00 H new ATOM 771 N THR A 53 0.518 1.117 4.704 1.00 0.00 N ATOM 772 CA THR A 53 1.397 0.204 5.490 1.00 0.00 C ATOM 773 C THR A 53 2.635 -0.155 4.665 1.00 0.00 C ATOM 774 O THR A 53 3.655 -0.543 5.200 1.00 0.00 O ATOM 775 CB THR A 53 0.629 -1.074 5.838 1.00 0.00 C ATOM 776 OG1 THR A 53 -0.289 -1.375 4.797 1.00 0.00 O ATOM 777 CG2 THR A 53 -0.132 -0.876 7.150 1.00 0.00 C ATOM 0 H THR A 53 -0.459 0.832 4.642 1.00 0.00 H new ATOM 0 HA THR A 53 1.706 0.704 6.408 1.00 0.00 H new ATOM 0 HB THR A 53 1.333 -1.899 5.950 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.779 -2.194 5.020 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.678 -1.787 7.395 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.574 -0.649 7.949 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.835 -0.050 7.042 1.00 0.00 H new ATOM 785 N LEU A 54 2.557 -0.031 3.370 1.00 0.00 N ATOM 786 CA LEU A 54 3.733 -0.368 2.522 1.00 0.00 C ATOM 787 C LEU A 54 4.920 0.508 2.927 1.00 0.00 C ATOM 788 O LEU A 54 5.867 0.034 3.522 1.00 0.00 O ATOM 789 CB LEU A 54 3.394 -0.121 1.050 1.00 0.00 C ATOM 790 CG LEU A 54 3.483 -1.440 0.282 1.00 0.00 C ATOM 791 CD1 LEU A 54 4.934 -1.926 0.268 1.00 0.00 C ATOM 792 CD2 LEU A 54 2.601 -2.486 0.968 1.00 0.00 C ATOM 0 H LEU A 54 1.732 0.288 2.863 1.00 0.00 H new ATOM 0 HA LEU A 54 3.991 -1.418 2.661 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.392 0.298 0.961 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.083 0.608 0.624 1.00 0.00 H new ATOM 0 HG LEU A 54 3.142 -1.290 -0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 54 4.997 -2.866 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.563 -1.180 -0.218 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.277 -2.078 1.291 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.662 -3.428 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.944 -2.636 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 54 1.568 -2.140 0.979 1.00 0.00 H new ATOM 804 N LYS A 55 4.862 1.780 2.610 1.00 0.00 N ATOM 805 CA LYS A 55 5.973 2.726 2.959 1.00 0.00 C ATOM 806 C LYS A 55 7.319 1.993 2.962 1.00 0.00 C ATOM 807 O LYS A 55 8.192 2.271 3.759 1.00 0.00 O ATOM 808 CB LYS A 55 5.723 3.372 4.332 1.00 0.00 C ATOM 809 CG LYS A 55 5.412 2.308 5.389 1.00 0.00 C ATOM 810 CD LYS A 55 4.617 2.947 6.530 1.00 0.00 C ATOM 811 CE LYS A 55 4.581 1.997 7.728 1.00 0.00 C ATOM 812 NZ LYS A 55 4.822 2.769 8.980 1.00 0.00 N ATOM 0 H LYS A 55 4.080 2.210 2.116 1.00 0.00 H new ATOM 0 HA LYS A 55 6.001 3.511 2.204 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.600 3.945 4.634 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.892 4.074 4.262 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.841 1.493 4.944 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.337 1.877 5.772 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.073 3.894 6.818 1.00 0.00 H new ATOM 0 HD3 LYS A 55 3.602 3.169 6.199 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.615 1.494 7.778 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.339 1.222 7.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.798 2.124 9.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.753 3.229 8.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 4.083 3.493 9.089 1.00 0.00 H new ATOM 826 N LYS A 56 7.490 1.060 2.064 1.00 0.00 N ATOM 827 CA LYS A 56 8.771 0.296 1.987 1.00 0.00 C ATOM 828 C LYS A 56 9.825 1.097 1.210 1.00 0.00 C ATOM 829 O LYS A 56 10.653 0.534 0.523 1.00 0.00 O ATOM 830 CB LYS A 56 8.528 -1.035 1.274 1.00 0.00 C ATOM 831 CG LYS A 56 8.906 -2.191 2.202 1.00 0.00 C ATOM 832 CD LYS A 56 10.381 -2.548 2.001 1.00 0.00 C ATOM 833 CE LYS A 56 10.584 -3.137 0.602 1.00 0.00 C ATOM 834 NZ LYS A 56 9.361 -3.886 0.192 1.00 0.00 N ATOM 0 H LYS A 56 6.790 0.791 1.373 1.00 0.00 H new ATOM 0 HA LYS A 56 9.134 0.117 2.999 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.481 -1.117 0.982 1.00 0.00 H new ATOM 0 HB3 LYS A 56 9.118 -1.082 0.359 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.727 -1.911 3.240 1.00 0.00 H new ATOM 0 HG3 LYS A 56 8.280 -3.058 1.993 1.00 0.00 H new ATOM 0 HD2 LYS A 56 11.000 -1.660 2.125 1.00 0.00 H new ATOM 0 HD3 LYS A 56 10.698 -3.266 2.758 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.791 -2.340 -0.112 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.448 -3.801 0.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.585 -4.502 -0.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.026 -4.466 0.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.617 -3.213 -0.082 1.00 0.00 H new ATOM 848 N ASP A 57 9.803 2.398 1.313 1.00 0.00 N ATOM 849 CA ASP A 57 10.805 3.233 0.586 1.00 0.00 C ATOM 850 C ASP A 57 10.581 3.144 -0.927 1.00 0.00 C ATOM 851 O ASP A 57 11.441 3.503 -1.707 1.00 0.00 O ATOM 852 CB ASP A 57 12.221 2.753 0.920 1.00 0.00 C ATOM 853 CG ASP A 57 13.236 3.595 0.146 1.00 0.00 C ATOM 854 OD1 ASP A 57 13.117 4.809 0.179 1.00 0.00 O ATOM 855 OD2 ASP A 57 14.114 3.013 -0.468 1.00 0.00 O ATOM 0 H ASP A 57 9.131 2.923 1.872 1.00 0.00 H new ATOM 0 HA ASP A 57 10.686 4.270 0.901 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.403 2.838 1.991 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.331 1.700 0.660 1.00 0.00 H new ATOM 860 N ASN A 58 9.438 2.680 -1.355 1.00 0.00 N ATOM 861 CA ASN A 58 9.185 2.591 -2.822 1.00 0.00 C ATOM 862 C ASN A 58 8.694 3.948 -3.331 1.00 0.00 C ATOM 863 O ASN A 58 8.429 4.122 -4.504 1.00 0.00 O ATOM 864 CB ASN A 58 8.120 1.537 -3.122 1.00 0.00 C ATOM 865 CG ASN A 58 7.967 0.577 -1.943 1.00 0.00 C ATOM 866 OD1 ASN A 58 8.589 -0.466 -1.905 1.00 0.00 O ATOM 867 ND2 ASN A 58 7.157 0.887 -0.970 1.00 0.00 N ATOM 0 H ASN A 58 8.674 2.361 -0.758 1.00 0.00 H new ATOM 0 HA ASN A 58 10.113 2.310 -3.320 1.00 0.00 H new ATOM 0 HB2 ASN A 58 7.167 2.024 -3.328 1.00 0.00 H new ATOM 0 HB3 ASN A 58 8.394 0.980 -4.018 1.00 0.00 H new ATOM 0 HD21 ASN A 58 7.046 0.254 -0.178 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.634 1.762 -1.001 1.00 0.00 H new ATOM 874 N GLY A 59 8.561 4.909 -2.456 1.00 0.00 N ATOM 875 CA GLY A 59 8.079 6.249 -2.891 1.00 0.00 C ATOM 876 C GLY A 59 6.557 6.297 -2.769 1.00 0.00 C ATOM 877 O GLY A 59 5.859 5.429 -3.255 1.00 0.00 O ATOM 0 H GLY A 59 8.765 4.823 -1.460 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.530 7.028 -2.277 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.380 6.441 -3.921 1.00 0.00 H new ATOM 881 N GLU A 60 6.033 7.301 -2.121 1.00 0.00 N ATOM 882 CA GLU A 60 4.567 7.396 -1.967 1.00 0.00 C ATOM 883 C GLU A 60 3.916 7.446 -3.342 1.00 0.00 C ATOM 884 O GLU A 60 4.569 7.621 -4.349 1.00 0.00 O ATOM 885 CB GLU A 60 4.220 8.649 -1.171 1.00 0.00 C ATOM 886 CG GLU A 60 4.769 8.495 0.250 1.00 0.00 C ATOM 887 CD GLU A 60 5.446 9.798 0.680 1.00 0.00 C ATOM 888 OE1 GLU A 60 4.738 10.769 0.894 1.00 0.00 O ATOM 889 OE2 GLU A 60 6.661 9.804 0.789 1.00 0.00 O ATOM 0 H GLU A 60 6.565 8.059 -1.693 1.00 0.00 H new ATOM 0 HA GLU A 60 4.195 6.523 -1.431 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.648 9.531 -1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.140 8.793 -1.145 1.00 0.00 H new ATOM 0 HG2 GLU A 60 3.961 8.248 0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.483 7.672 0.288 1.00 0.00 H new ATOM 896 N TYR A 61 2.638 7.262 -3.389 1.00 0.00 N ATOM 897 CA TYR A 61 1.927 7.252 -4.698 1.00 0.00 C ATOM 898 C TYR A 61 0.833 8.315 -4.744 1.00 0.00 C ATOM 899 O TYR A 61 0.368 8.799 -3.730 1.00 0.00 O ATOM 900 CB TYR A 61 1.258 5.895 -4.869 1.00 0.00 C ATOM 901 CG TYR A 61 0.658 5.492 -3.545 1.00 0.00 C ATOM 902 CD1 TYR A 61 -0.640 5.895 -3.203 1.00 0.00 C ATOM 903 CD2 TYR A 61 1.411 4.734 -2.645 1.00 0.00 C ATOM 904 CE1 TYR A 61 -1.179 5.537 -1.965 1.00 0.00 C ATOM 905 CE2 TYR A 61 0.882 4.383 -1.410 1.00 0.00 C ATOM 906 CZ TYR A 61 -0.417 4.781 -1.063 1.00 0.00 C ATOM 907 OH TYR A 61 -0.938 4.438 0.168 1.00 0.00 O ATOM 0 H TYR A 61 2.043 7.116 -2.573 1.00 0.00 H new ATOM 0 HA TYR A 61 2.653 7.453 -5.486 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.485 5.947 -5.636 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.985 5.152 -5.198 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -1.223 6.482 -3.897 1.00 0.00 H new ATOM 0 HD2 TYR A 61 2.409 4.419 -2.911 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -2.181 5.842 -1.703 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.472 3.803 -0.716 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.206 4.276 0.799 1.00 0.00 H new ATOM 917 N THR A 62 0.385 8.637 -5.927 1.00 0.00 N ATOM 918 CA THR A 62 -0.721 9.619 -6.072 1.00 0.00 C ATOM 919 C THR A 62 -2.009 8.815 -6.270 1.00 0.00 C ATOM 920 O THR A 62 -2.069 7.928 -7.098 1.00 0.00 O ATOM 921 CB THR A 62 -0.473 10.517 -7.288 1.00 0.00 C ATOM 922 OG1 THR A 62 0.748 11.223 -7.113 1.00 0.00 O ATOM 923 CG2 THR A 62 -1.623 11.516 -7.431 1.00 0.00 C ATOM 0 H THR A 62 0.742 8.258 -6.804 1.00 0.00 H new ATOM 0 HA THR A 62 -0.790 10.258 -5.192 1.00 0.00 H new ATOM 0 HB THR A 62 -0.414 9.902 -8.186 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.909 11.797 -7.891 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.445 12.154 -8.297 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.560 10.975 -7.565 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.684 12.131 -6.533 1.00 0.00 H new ATOM 931 N VAL A 63 -3.026 9.082 -5.503 1.00 0.00 N ATOM 932 CA VAL A 63 -4.278 8.284 -5.646 1.00 0.00 C ATOM 933 C VAL A 63 -5.085 8.759 -6.853 1.00 0.00 C ATOM 934 O VAL A 63 -5.500 9.897 -6.936 1.00 0.00 O ATOM 935 CB VAL A 63 -5.120 8.429 -4.380 1.00 0.00 C ATOM 936 CG1 VAL A 63 -5.759 9.817 -4.341 1.00 0.00 C ATOM 937 CG2 VAL A 63 -6.220 7.364 -4.374 1.00 0.00 C ATOM 0 H VAL A 63 -3.048 9.810 -4.789 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.011 7.238 -5.796 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.481 8.301 -3.507 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.359 9.916 -3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.978 10.577 -4.344 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.397 9.949 -5.215 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.821 7.467 -3.471 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.856 7.493 -5.250 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.767 6.373 -4.397 1.00 0.00 H new ATOM 947 N ASP A 64 -5.316 7.874 -7.785 1.00 0.00 N ATOM 948 CA ASP A 64 -6.101 8.232 -8.991 1.00 0.00 C ATOM 949 C ASP A 64 -7.589 8.130 -8.665 1.00 0.00 C ATOM 950 O ASP A 64 -8.096 7.073 -8.346 1.00 0.00 O ATOM 951 CB ASP A 64 -5.768 7.255 -10.113 1.00 0.00 C ATOM 952 CG ASP A 64 -4.252 7.205 -10.317 1.00 0.00 C ATOM 953 OD1 ASP A 64 -3.734 8.090 -10.977 1.00 0.00 O ATOM 954 OD2 ASP A 64 -3.635 6.283 -9.810 1.00 0.00 O ATOM 0 H ASP A 64 -4.988 6.908 -7.757 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.858 9.248 -9.302 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.145 6.262 -9.868 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.259 7.564 -11.036 1.00 0.00 H new ATOM 959 N VAL A 65 -8.287 9.220 -8.737 1.00 0.00 N ATOM 960 CA VAL A 65 -9.745 9.199 -8.426 1.00 0.00 C ATOM 961 C VAL A 65 -10.548 8.945 -9.704 1.00 0.00 C ATOM 962 O VAL A 65 -10.564 9.752 -10.611 1.00 0.00 O ATOM 963 CB VAL A 65 -10.160 10.543 -7.828 1.00 0.00 C ATOM 964 CG1 VAL A 65 -11.455 10.369 -7.032 1.00 0.00 C ATOM 965 CG2 VAL A 65 -9.056 11.049 -6.897 1.00 0.00 C ATOM 0 H VAL A 65 -7.914 10.132 -8.999 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.944 8.401 -7.711 1.00 0.00 H new ATOM 0 HB VAL A 65 -10.319 11.264 -8.630 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -11.751 11.327 -6.605 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -12.243 10.007 -7.693 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.295 9.649 -6.230 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -9.351 12.008 -6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.897 10.328 -6.095 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -8.132 11.172 -7.462 1.00 0.00 H new ATOM 975 N ALA A 66 -11.222 7.828 -9.778 1.00 0.00 N ATOM 976 CA ALA A 66 -12.032 7.522 -10.990 1.00 0.00 C ATOM 977 C ALA A 66 -13.068 6.452 -10.652 1.00 0.00 C ATOM 978 O ALA A 66 -13.012 5.827 -9.611 1.00 0.00 O ATOM 979 CB ALA A 66 -11.115 7.013 -12.104 1.00 0.00 C ATOM 0 H ALA A 66 -11.246 7.114 -9.050 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.540 8.426 -11.325 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.709 6.789 -12.990 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.377 7.778 -12.345 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.605 6.109 -11.771 1.00 0.00 H new ATOM 985 N ASP A 67 -14.015 6.236 -11.522 1.00 0.00 N ATOM 986 CA ASP A 67 -15.053 5.208 -11.245 1.00 0.00 C ATOM 987 C ASP A 67 -15.885 5.638 -10.039 1.00 0.00 C ATOM 988 O ASP A 67 -16.235 4.834 -9.199 1.00 0.00 O ATOM 989 CB ASP A 67 -14.386 3.875 -10.954 1.00 0.00 C ATOM 990 CG ASP A 67 -15.228 2.742 -11.543 1.00 0.00 C ATOM 991 OD1 ASP A 67 -16.244 2.416 -10.949 1.00 0.00 O ATOM 992 OD2 ASP A 67 -14.845 2.220 -12.576 1.00 0.00 O ATOM 0 H ASP A 67 -14.114 6.727 -12.411 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.701 5.104 -12.115 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.384 3.857 -11.382 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.276 3.739 -9.878 1.00 0.00 H new ATOM 997 N LYS A 68 -16.197 6.904 -9.949 1.00 0.00 N ATOM 998 CA LYS A 68 -17.005 7.404 -8.800 1.00 0.00 C ATOM 999 C LYS A 68 -16.172 7.344 -7.519 1.00 0.00 C ATOM 1000 O LYS A 68 -16.605 6.819 -6.513 1.00 0.00 O ATOM 1001 CB LYS A 68 -18.261 6.543 -8.635 1.00 0.00 C ATOM 1002 CG LYS A 68 -19.108 7.099 -7.493 1.00 0.00 C ATOM 1003 CD LYS A 68 -20.365 7.756 -8.063 1.00 0.00 C ATOM 1004 CE LYS A 68 -20.896 8.789 -7.068 1.00 0.00 C ATOM 1005 NZ LYS A 68 -21.266 8.105 -5.797 1.00 0.00 N ATOM 0 H LYS A 68 -15.925 7.616 -10.626 1.00 0.00 H new ATOM 0 HA LYS A 68 -17.299 8.436 -8.993 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -18.836 6.538 -9.561 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.983 5.510 -8.427 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -19.383 6.298 -6.807 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.533 7.826 -6.920 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -20.138 8.236 -9.015 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -21.126 7.001 -8.260 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -20.139 9.550 -6.878 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -21.764 9.300 -7.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -21.839 8.746 -5.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -21.815 7.248 -6.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -20.403 7.843 -5.280 1.00 0.00 H new ATOM 1019 N GLY A 69 -14.980 7.881 -7.548 1.00 0.00 N ATOM 1020 CA GLY A 69 -14.120 7.853 -6.330 1.00 0.00 C ATOM 1021 C GLY A 69 -14.224 6.479 -5.674 1.00 0.00 C ATOM 1022 O GLY A 69 -14.294 6.360 -4.467 1.00 0.00 O ATOM 0 H GLY A 69 -14.566 8.337 -8.361 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.084 8.065 -6.596 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -14.434 8.628 -5.631 1.00 0.00 H new ATOM 1026 N TYR A 70 -14.258 5.440 -6.461 1.00 0.00 N ATOM 1027 CA TYR A 70 -14.380 4.083 -5.889 1.00 0.00 C ATOM 1028 C TYR A 70 -13.179 3.226 -6.291 1.00 0.00 C ATOM 1029 O TYR A 70 -12.505 2.657 -5.455 1.00 0.00 O ATOM 1030 CB TYR A 70 -15.653 3.442 -6.408 1.00 0.00 C ATOM 1031 CG TYR A 70 -16.322 2.684 -5.293 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -16.420 3.253 -4.015 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -16.837 1.408 -5.536 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -17.033 2.542 -2.982 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -17.453 0.699 -4.503 1.00 0.00 C ATOM 1036 CZ TYR A 70 -17.551 1.263 -3.229 1.00 0.00 C ATOM 1037 OH TYR A 70 -18.156 0.553 -2.219 1.00 0.00 O ATOM 0 H TYR A 70 -14.206 5.479 -7.479 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.411 4.154 -4.802 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -16.325 4.206 -6.797 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -15.424 2.769 -7.234 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -16.022 4.240 -3.830 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -16.759 0.971 -6.521 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -17.108 2.976 -1.996 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -17.854 -0.286 -4.689 1.00 0.00 H new ATOM 0 HH TYR A 70 -18.943 1.042 -1.901 1.00 0.00 H new ATOM 1047 N THR A 71 -12.911 3.126 -7.565 1.00 0.00 N ATOM 1048 CA THR A 71 -11.753 2.307 -8.024 1.00 0.00 C ATOM 1049 C THR A 71 -10.490 3.164 -7.982 1.00 0.00 C ATOM 1050 O THR A 71 -9.774 3.292 -8.954 1.00 0.00 O ATOM 1051 CB THR A 71 -12.002 1.818 -9.453 1.00 0.00 C ATOM 1052 OG1 THR A 71 -13.301 1.248 -9.539 1.00 0.00 O ATOM 1053 CG2 THR A 71 -10.957 0.766 -9.829 1.00 0.00 C ATOM 0 H THR A 71 -13.445 3.577 -8.308 1.00 0.00 H new ATOM 0 HA THR A 71 -11.630 1.443 -7.371 1.00 0.00 H new ATOM 0 HB THR A 71 -11.927 2.661 -10.140 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.462 0.936 -10.454 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.138 0.421 -10.847 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.961 1.204 -9.766 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.026 -0.077 -9.142 1.00 0.00 H new ATOM 1061 N LEU A 72 -10.222 3.752 -6.852 1.00 0.00 N ATOM 1062 CA LEU A 72 -9.017 4.609 -6.711 1.00 0.00 C ATOM 1063 C LEU A 72 -7.762 3.785 -6.997 1.00 0.00 C ATOM 1064 O LEU A 72 -7.466 2.826 -6.313 1.00 0.00 O ATOM 1065 CB LEU A 72 -8.950 5.151 -5.281 1.00 0.00 C ATOM 1066 CG LEU A 72 -9.197 4.010 -4.292 1.00 0.00 C ATOM 1067 CD1 LEU A 72 -7.886 3.654 -3.589 1.00 0.00 C ATOM 1068 CD2 LEU A 72 -10.223 4.456 -3.248 1.00 0.00 C ATOM 0 H LEU A 72 -10.794 3.674 -6.011 1.00 0.00 H new ATOM 0 HA LEU A 72 -9.075 5.436 -7.419 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.975 5.602 -5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.695 5.935 -5.142 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.574 3.139 -4.828 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.060 2.841 -2.884 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.150 3.341 -4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.513 4.526 -3.052 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.400 3.644 -2.542 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.843 5.326 -2.712 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.158 4.716 -3.745 1.00 0.00 H new ATOM 1080 N ASN A 73 -7.015 4.157 -7.997 1.00 0.00 N ATOM 1081 CA ASN A 73 -5.773 3.403 -8.314 1.00 0.00 C ATOM 1082 C ASN A 73 -4.632 3.967 -7.473 1.00 0.00 C ATOM 1083 O ASN A 73 -4.827 4.843 -6.654 1.00 0.00 O ATOM 1084 CB ASN A 73 -5.454 3.550 -9.798 1.00 0.00 C ATOM 1085 CG ASN A 73 -5.935 2.303 -10.546 1.00 0.00 C ATOM 1086 OD1 ASN A 73 -5.198 1.718 -11.315 1.00 0.00 O ATOM 1087 ND2 ASN A 73 -7.151 1.870 -10.349 1.00 0.00 N ATOM 0 H ASN A 73 -7.211 4.950 -8.608 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.906 2.345 -8.087 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.940 4.439 -10.200 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.381 3.682 -9.940 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.483 1.040 -10.841 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.769 2.362 -9.703 1.00 0.00 H new ATOM 1094 N ILE A 74 -3.447 3.467 -7.655 1.00 0.00 N ATOM 1095 CA ILE A 74 -2.301 3.970 -6.851 1.00 0.00 C ATOM 1096 C ILE A 74 -1.037 3.953 -7.710 1.00 0.00 C ATOM 1097 O ILE A 74 -0.755 2.987 -8.390 1.00 0.00 O ATOM 1098 CB ILE A 74 -2.097 3.053 -5.650 1.00 0.00 C ATOM 1099 CG1 ILE A 74 -3.361 3.049 -4.781 1.00 0.00 C ATOM 1100 CG2 ILE A 74 -0.906 3.546 -4.834 1.00 0.00 C ATOM 1101 CD1 ILE A 74 -3.442 4.345 -3.981 1.00 0.00 C ATOM 0 H ILE A 74 -3.220 2.732 -8.325 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.505 4.987 -6.514 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.902 2.038 -5.995 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.245 2.943 -5.410 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.346 2.194 -4.105 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.758 2.892 -3.975 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -0.010 3.537 -5.455 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.097 4.562 -4.488 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.342 4.337 -3.366 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.565 4.432 -3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.478 5.193 -4.665 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.272 5.006 -7.685 1.00 0.00 N ATOM 1114 CA LYS A 75 0.975 5.035 -8.499 1.00 0.00 C ATOM 1115 C LYS A 75 2.140 5.527 -7.638 1.00 0.00 C ATOM 1116 O LYS A 75 2.343 6.713 -7.472 1.00 0.00 O ATOM 1117 CB LYS A 75 0.783 5.972 -9.689 1.00 0.00 C ATOM 1118 CG LYS A 75 1.205 5.257 -10.973 1.00 0.00 C ATOM 1119 CD LYS A 75 2.713 5.419 -11.178 1.00 0.00 C ATOM 1120 CE LYS A 75 3.190 4.438 -12.251 1.00 0.00 C ATOM 1121 NZ LYS A 75 2.256 4.476 -13.411 1.00 0.00 N ATOM 0 H LYS A 75 -0.455 5.847 -7.138 1.00 0.00 H new ATOM 0 HA LYS A 75 1.196 4.031 -8.861 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.260 6.281 -9.758 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.375 6.877 -9.552 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.947 4.200 -10.914 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.665 5.670 -11.825 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.942 6.442 -11.477 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.240 5.235 -10.242 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.198 4.698 -12.574 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.237 3.429 -11.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.743 4.124 -14.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.430 3.876 -13.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.942 5.454 -13.572 1.00 0.00 H new ATOM 1135 N PHE A 76 2.913 4.623 -7.091 1.00 0.00 N ATOM 1136 CA PHE A 76 4.069 5.046 -6.247 1.00 0.00 C ATOM 1137 C PHE A 76 5.016 5.901 -7.099 1.00 0.00 C ATOM 1138 O PHE A 76 4.942 5.900 -8.311 1.00 0.00 O ATOM 1139 CB PHE A 76 4.813 3.812 -5.722 1.00 0.00 C ATOM 1140 CG PHE A 76 4.065 3.195 -4.560 1.00 0.00 C ATOM 1141 CD1 PHE A 76 2.732 2.786 -4.709 1.00 0.00 C ATOM 1142 CD2 PHE A 76 4.716 3.018 -3.331 1.00 0.00 C ATOM 1143 CE1 PHE A 76 2.055 2.202 -3.630 1.00 0.00 C ATOM 1144 CE2 PHE A 76 4.037 2.436 -2.254 1.00 0.00 C ATOM 1145 CZ PHE A 76 2.707 2.028 -2.403 1.00 0.00 C ATOM 0 H PHE A 76 2.794 3.615 -7.192 1.00 0.00 H new ATOM 0 HA PHE A 76 3.711 5.626 -5.396 1.00 0.00 H new ATOM 0 HB2 PHE A 76 4.923 3.079 -6.521 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.818 4.093 -5.407 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.228 2.921 -5.654 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.743 3.331 -3.215 1.00 0.00 H new ATOM 0 HE1 PHE A 76 1.029 1.886 -3.745 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.540 2.302 -1.308 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.183 1.579 -1.572 1.00 0.00 H new ATOM 1155 N ALA A 77 5.893 6.643 -6.476 1.00 0.00 N ATOM 1156 CA ALA A 77 6.828 7.511 -7.251 1.00 0.00 C ATOM 1157 C ALA A 77 8.007 6.687 -7.782 1.00 0.00 C ATOM 1158 O ALA A 77 7.911 6.041 -8.807 1.00 0.00 O ATOM 1159 CB ALA A 77 7.349 8.632 -6.348 1.00 0.00 C ATOM 0 H ALA A 77 6.002 6.686 -5.463 1.00 0.00 H new ATOM 0 HA ALA A 77 6.292 7.940 -8.098 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.032 9.267 -6.913 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.511 9.230 -5.990 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.876 8.199 -5.498 1.00 0.00 H new ATOM 1165 N GLY A 78 9.126 6.712 -7.103 1.00 0.00 N ATOM 1166 CA GLY A 78 10.306 5.939 -7.582 1.00 0.00 C ATOM 1167 C GLY A 78 11.254 6.873 -8.338 1.00 0.00 C ATOM 1168 O GLY A 78 12.450 6.633 -8.297 1.00 0.00 O ATOM 1169 OXT GLY A 78 10.769 7.814 -8.943 1.00 0.00 O ATOM 0 H GLY A 78 9.271 7.234 -6.239 1.00 0.00 H new ATOM 0 HA2 GLY A 78 10.823 5.484 -6.737 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.982 5.127 -8.233 1.00 0.00 H new