USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 487 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 21 GLN :FLIP amide:sc= -0.25 F(o=-0.8,f=-0.25) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 GLN :FLIP amide:sc= -1.01 F(o=-2.3!,f=-1) USER MOD Single : A 34 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.63) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= -0.312 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -58:sc= 0.25 USER MOD Single : A 47 ASN : amide:sc=-0.00869 X(o=-0.0087,f=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -5.59! C(o=-5.6!,f=-6.4!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.035) USER MOD Single : A 59 ASN : amide:sc= -0.162 K(o=-0.16,f=-1.4!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 1 (180deg=0.667) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 MET CE :methyl -108:sc= -1.7 (180deg=-3.82!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 242 N GLN A 21 7.521 8.637 1.995 1.00 0.00 N ATOM 243 CA GLN A 21 6.839 7.421 2.425 1.00 0.00 C ATOM 244 C GLN A 21 6.473 6.551 1.227 1.00 0.00 C ATOM 245 O GLN A 21 6.589 5.327 1.280 1.00 0.00 O ATOM 246 CB GLN A 21 5.581 7.771 3.220 1.00 0.00 C ATOM 247 CG GLN A 21 5.824 7.907 4.715 1.00 0.00 C ATOM 248 CD GLN A 21 7.070 8.711 5.032 1.00 0.00 C ATOM 249 OE1 GLN A 21 8.206 8.029 5.129 1.00 0.00 O flip ATOM 250 NE2 GLN A 21 7.012 9.931 5.190 1.00 0.00 N flip ATOM 0 HA GLN A 21 7.519 6.859 3.065 1.00 0.00 H new ATOM 0 HB2 GLN A 21 5.170 8.707 2.841 1.00 0.00 H new ATOM 0 HB3 GLN A 21 4.829 7.001 3.051 1.00 0.00 H new ATOM 0 HG2 GLN A 21 4.960 8.384 5.178 1.00 0.00 H new ATOM 0 HG3 GLN A 21 5.914 6.915 5.157 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.118 10.414 5.106 1.00 0.00 H new ATOM 0 HE22 GLN A 21 7.858 10.458 5.405 1.00 0.00 H new ATOM 259 N GLU A 22 6.029 7.191 0.150 1.00 0.00 N ATOM 260 CA GLU A 22 5.644 6.473 -1.060 1.00 0.00 C ATOM 261 C GLU A 22 6.869 5.891 -1.760 1.00 0.00 C ATOM 262 O GLU A 22 6.757 4.972 -2.571 1.00 0.00 O ATOM 263 CB GLU A 22 4.891 7.403 -2.013 1.00 0.00 C ATOM 264 CG GLU A 22 4.275 6.685 -3.203 1.00 0.00 C ATOM 265 CD GLU A 22 4.123 7.586 -4.413 1.00 0.00 C ATOM 266 OE1 GLU A 22 4.849 8.599 -4.492 1.00 0.00 O ATOM 267 OE2 GLU A 22 3.279 7.279 -5.280 1.00 0.00 O ATOM 0 H GLU A 22 5.927 8.204 0.090 1.00 0.00 H new ATOM 0 HA GLU A 22 4.988 5.652 -0.772 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.103 7.915 -1.461 1.00 0.00 H new ATOM 0 HB3 GLU A 22 5.576 8.169 -2.376 1.00 0.00 H new ATOM 0 HG2 GLU A 22 4.896 5.829 -3.468 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.297 6.294 -2.921 1.00 0.00 H new ATOM 274 N LYS A 23 8.039 6.435 -1.442 1.00 0.00 N ATOM 275 CA LYS A 23 9.286 5.971 -2.038 1.00 0.00 C ATOM 276 C LYS A 23 9.805 4.730 -1.320 1.00 0.00 C ATOM 277 O LYS A 23 10.455 3.876 -1.924 1.00 0.00 O ATOM 278 CB LYS A 23 10.341 7.079 -1.990 1.00 0.00 C ATOM 279 CG LYS A 23 10.904 7.323 -0.601 1.00 0.00 C ATOM 280 CD LYS A 23 12.301 7.919 -0.662 1.00 0.00 C ATOM 281 CE LYS A 23 13.136 7.507 0.541 1.00 0.00 C ATOM 282 NZ LYS A 23 13.873 6.236 0.296 1.00 0.00 N ATOM 0 H LYS A 23 8.149 7.198 -0.774 1.00 0.00 H new ATOM 0 HA LYS A 23 9.087 5.711 -3.078 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.158 6.821 -2.664 1.00 0.00 H new ATOM 0 HB3 LYS A 23 9.901 8.004 -2.362 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.244 7.996 -0.053 1.00 0.00 H new ATOM 0 HG3 LYS A 23 10.932 6.384 -0.049 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.796 7.596 -1.578 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.232 9.006 -0.704 1.00 0.00 H new ATOM 0 HE2 LYS A 23 13.847 8.299 0.778 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.488 7.389 1.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 14.430 5.990 1.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.194 5.474 0.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.510 6.355 -0.517 1.00 0.00 H new ATOM 296 N LEU A 24 9.513 4.635 -0.027 1.00 0.00 N ATOM 297 CA LEU A 24 9.949 3.496 0.774 1.00 0.00 C ATOM 298 C LEU A 24 9.086 2.270 0.493 1.00 0.00 C ATOM 299 O LEU A 24 9.533 1.134 0.650 1.00 0.00 O ATOM 300 CB LEU A 24 9.892 3.843 2.263 1.00 0.00 C ATOM 301 CG LEU A 24 10.079 2.675 3.232 1.00 0.00 C ATOM 302 CD1 LEU A 24 11.517 2.182 3.202 1.00 0.00 C ATOM 303 CD2 LEU A 24 9.683 3.085 4.643 1.00 0.00 C ATOM 0 H LEU A 24 8.977 5.333 0.489 1.00 0.00 H new ATOM 0 HA LEU A 24 10.978 3.264 0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 24 10.659 4.588 2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.929 4.310 2.470 1.00 0.00 H new ATOM 0 HG LEU A 24 9.430 1.858 2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.631 1.351 3.898 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.766 1.849 2.195 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.186 2.992 3.492 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.822 2.242 5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.306 3.918 4.968 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.636 3.389 4.653 1.00 0.00 H new ATOM 315 N VAL A 25 7.847 2.509 0.074 1.00 0.00 N ATOM 316 CA VAL A 25 6.922 1.424 -0.233 1.00 0.00 C ATOM 317 C VAL A 25 7.184 0.855 -1.623 1.00 0.00 C ATOM 318 O VAL A 25 7.123 -0.357 -1.830 1.00 0.00 O ATOM 319 CB VAL A 25 5.458 1.896 -0.151 1.00 0.00 C ATOM 320 CG1 VAL A 25 4.508 0.723 -0.338 1.00 0.00 C ATOM 321 CG2 VAL A 25 5.198 2.598 1.173 1.00 0.00 C ATOM 0 H VAL A 25 7.461 3.443 -0.061 1.00 0.00 H new ATOM 0 HA VAL A 25 7.088 0.646 0.512 1.00 0.00 H new ATOM 0 HB VAL A 25 5.279 2.610 -0.955 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.478 1.075 -0.277 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.679 0.268 -1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.685 -0.017 0.443 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.159 2.925 1.214 1.00 0.00 H new ATOM 0 HG22 VAL A 25 5.394 1.909 1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 25 5.854 3.464 1.261 1.00 0.00 H new ATOM 331 N TYR A 26 7.477 1.737 -2.572 1.00 0.00 N ATOM 332 CA TYR A 26 7.747 1.323 -3.943 1.00 0.00 C ATOM 333 C TYR A 26 8.987 0.436 -4.011 1.00 0.00 C ATOM 334 O TYR A 26 9.027 -0.537 -4.762 1.00 0.00 O ATOM 335 CB TYR A 26 7.933 2.547 -4.841 1.00 0.00 C ATOM 336 CG TYR A 26 8.495 2.218 -6.206 1.00 0.00 C ATOM 337 CD1 TYR A 26 7.698 1.642 -7.187 1.00 0.00 C ATOM 338 CD2 TYR A 26 9.824 2.485 -6.514 1.00 0.00 C ATOM 339 CE1 TYR A 26 8.208 1.339 -8.434 1.00 0.00 C ATOM 340 CE2 TYR A 26 10.342 2.187 -7.759 1.00 0.00 C ATOM 341 CZ TYR A 26 9.530 1.613 -8.716 1.00 0.00 C ATOM 342 OH TYR A 26 10.041 1.314 -9.958 1.00 0.00 O ATOM 0 H TYR A 26 7.534 2.744 -2.417 1.00 0.00 H new ATOM 0 HA TYR A 26 6.891 0.748 -4.296 1.00 0.00 H new ATOM 0 HB2 TYR A 26 6.972 3.046 -4.964 1.00 0.00 H new ATOM 0 HB3 TYR A 26 8.598 3.254 -4.344 1.00 0.00 H new ATOM 0 HD1 TYR A 26 6.662 1.427 -6.971 1.00 0.00 H new ATOM 0 HD2 TYR A 26 10.462 2.933 -5.767 1.00 0.00 H new ATOM 0 HE1 TYR A 26 7.575 0.890 -9.185 1.00 0.00 H new ATOM 0 HE2 TYR A 26 11.377 2.402 -7.982 1.00 0.00 H new ATOM 0 HH TYR A 26 10.986 1.571 -9.993 1.00 0.00 H new ATOM 352 N GLN A 27 9.997 0.782 -3.218 1.00 0.00 N ATOM 353 CA GLN A 27 11.239 0.018 -3.187 1.00 0.00 C ATOM 354 C GLN A 27 10.993 -1.401 -2.684 1.00 0.00 C ATOM 355 O GLN A 27 11.607 -2.354 -3.163 1.00 0.00 O ATOM 356 CB GLN A 27 12.269 0.715 -2.298 1.00 0.00 C ATOM 357 CG GLN A 27 12.843 1.983 -2.910 1.00 0.00 C ATOM 358 CD GLN A 27 13.614 1.716 -4.188 1.00 0.00 C ATOM 359 OE1 GLN A 27 12.894 1.550 -5.291 1.00 0.00 O flip ATOM 360 NE2 GLN A 27 14.845 1.661 -4.183 1.00 0.00 N flip ATOM 0 H GLN A 27 9.979 1.585 -2.589 1.00 0.00 H new ATOM 0 HA GLN A 27 11.627 -0.039 -4.204 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.805 0.960 -1.343 1.00 0.00 H new ATOM 0 HB3 GLN A 27 13.084 0.022 -2.088 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.032 2.681 -3.118 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.501 2.465 -2.187 1.00 0.00 H new ATOM 0 HE21 GLN A 27 15.358 1.795 -3.312 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.351 1.482 -5.050 1.00 0.00 H new ATOM 369 N ILE A 28 10.091 -1.532 -1.717 1.00 0.00 N ATOM 370 CA ILE A 28 9.764 -2.835 -1.151 1.00 0.00 C ATOM 371 C ILE A 28 9.026 -3.705 -2.163 1.00 0.00 C ATOM 372 O ILE A 28 9.275 -4.907 -2.261 1.00 0.00 O ATOM 373 CB ILE A 28 8.900 -2.696 0.117 1.00 0.00 C ATOM 374 CG1 ILE A 28 9.634 -1.866 1.172 1.00 0.00 C ATOM 375 CG2 ILE A 28 8.545 -4.069 0.668 1.00 0.00 C ATOM 376 CD1 ILE A 28 8.719 -1.284 2.226 1.00 0.00 C ATOM 0 H ILE A 28 9.574 -0.753 -1.310 1.00 0.00 H new ATOM 0 HA ILE A 28 10.708 -3.311 -0.888 1.00 0.00 H new ATOM 0 HB ILE A 28 7.976 -2.181 -0.145 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.383 -2.491 1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 28 10.168 -1.054 0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 28 7.934 -3.955 1.564 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.987 -4.629 -0.082 1.00 0.00 H new ATOM 0 HG23 ILE A 28 9.459 -4.608 0.918 1.00 0.00 H new ATOM 0 HD11 ILE A 28 9.307 -0.708 2.941 1.00 0.00 H new ATOM 0 HD12 ILE A 28 7.985 -0.632 1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 28 8.204 -2.091 2.747 1.00 0.00 H new ATOM 388 N ILE A 29 8.118 -3.090 -2.913 1.00 0.00 N ATOM 389 CA ILE A 29 7.346 -3.807 -3.920 1.00 0.00 C ATOM 390 C ILE A 29 8.253 -4.373 -5.008 1.00 0.00 C ATOM 391 O ILE A 29 8.206 -5.565 -5.310 1.00 0.00 O ATOM 392 CB ILE A 29 6.287 -2.898 -4.571 1.00 0.00 C ATOM 393 CG1 ILE A 29 5.342 -2.336 -3.507 1.00 0.00 C ATOM 394 CG2 ILE A 29 5.507 -3.667 -5.627 1.00 0.00 C ATOM 395 CD1 ILE A 29 4.516 -1.165 -3.991 1.00 0.00 C ATOM 0 H ILE A 29 7.899 -2.096 -2.842 1.00 0.00 H new ATOM 0 HA ILE A 29 6.843 -4.627 -3.407 1.00 0.00 H new ATOM 0 HB ILE A 29 6.794 -2.064 -5.057 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.673 -3.128 -3.172 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.927 -2.025 -2.641 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.762 -3.012 -6.078 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.191 -4.023 -6.397 1.00 0.00 H new ATOM 0 HG23 ILE A 29 5.008 -4.518 -5.163 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.869 -0.818 -3.185 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.178 -0.356 -4.299 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.905 -1.476 -4.838 1.00 0.00 H new ATOM 407 N GLU A 30 9.079 -3.510 -5.590 1.00 0.00 N ATOM 408 CA GLU A 30 9.998 -3.925 -6.644 1.00 0.00 C ATOM 409 C GLU A 30 10.934 -5.023 -6.148 1.00 0.00 C ATOM 410 O GLU A 30 11.409 -5.848 -6.929 1.00 0.00 O ATOM 411 CB GLU A 30 10.813 -2.729 -7.140 1.00 0.00 C ATOM 412 CG GLU A 30 11.684 -2.099 -6.066 1.00 0.00 C ATOM 413 CD GLU A 30 12.747 -1.183 -6.641 1.00 0.00 C ATOM 414 OE1 GLU A 30 12.381 -0.144 -7.229 1.00 0.00 O ATOM 415 OE2 GLU A 30 13.946 -1.505 -6.501 1.00 0.00 O ATOM 0 H GLU A 30 9.131 -2.520 -5.350 1.00 0.00 H new ATOM 0 HA GLU A 30 9.408 -4.321 -7.471 1.00 0.00 H new ATOM 0 HB2 GLU A 30 11.446 -3.049 -7.968 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.132 -1.974 -7.533 1.00 0.00 H new ATOM 0 HG2 GLU A 30 11.055 -1.533 -5.379 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.164 -2.886 -5.484 1.00 0.00 H new ATOM 422 N ASP A 31 11.195 -5.026 -4.846 1.00 0.00 N ATOM 423 CA ASP A 31 12.074 -6.022 -4.244 1.00 0.00 C ATOM 424 C ASP A 31 11.476 -7.420 -4.368 1.00 0.00 C ATOM 425 O ASP A 31 12.187 -8.388 -4.637 1.00 0.00 O ATOM 426 CB ASP A 31 12.325 -5.690 -2.773 1.00 0.00 C ATOM 427 CG ASP A 31 13.675 -6.184 -2.290 1.00 0.00 C ATOM 428 OD1 ASP A 31 13.865 -7.416 -2.219 1.00 0.00 O ATOM 429 OD2 ASP A 31 14.541 -5.338 -1.983 1.00 0.00 O ATOM 0 H ASP A 31 10.810 -4.350 -4.186 1.00 0.00 H new ATOM 0 HA ASP A 31 13.023 -6.003 -4.779 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.264 -4.611 -2.632 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.539 -6.136 -2.164 1.00 0.00 H new ATOM 434 N ALA A 32 10.166 -7.517 -4.170 1.00 0.00 N ATOM 435 CA ALA A 32 9.473 -8.796 -4.261 1.00 0.00 C ATOM 436 C ALA A 32 9.753 -9.479 -5.595 1.00 0.00 C ATOM 437 O ALA A 32 9.933 -10.695 -5.655 1.00 0.00 O ATOM 438 CB ALA A 32 7.976 -8.600 -4.070 1.00 0.00 C ATOM 0 H ALA A 32 9.563 -6.725 -3.946 1.00 0.00 H new ATOM 0 HA ALA A 32 9.848 -9.441 -3.467 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.471 -9.563 -4.140 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.788 -8.163 -3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.595 -7.933 -4.843 1.00 0.00 H new ATOM 444 N GLY A 33 9.787 -8.689 -6.664 1.00 0.00 N ATOM 445 CA GLY A 33 10.045 -9.236 -7.983 1.00 0.00 C ATOM 446 C GLY A 33 8.770 -9.585 -8.725 1.00 0.00 C ATOM 447 O GLY A 33 7.768 -8.879 -8.618 1.00 0.00 O ATOM 0 H GLY A 33 9.640 -7.680 -6.640 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.616 -8.514 -8.567 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.663 -10.129 -7.888 1.00 0.00 H new ATOM 451 N ASN A 34 8.808 -10.678 -9.481 1.00 0.00 N ATOM 452 CA ASN A 34 7.647 -11.119 -10.245 1.00 0.00 C ATOM 453 C ASN A 34 6.617 -11.784 -9.337 1.00 0.00 C ATOM 454 O ASN A 34 5.427 -11.816 -9.648 1.00 0.00 O ATOM 455 CB ASN A 34 8.075 -12.091 -11.347 1.00 0.00 C ATOM 456 CG ASN A 34 8.916 -13.234 -10.814 1.00 0.00 C ATOM 457 OD1 ASN A 34 8.402 -14.151 -10.173 1.00 0.00 O ATOM 458 ND2 ASN A 34 10.216 -13.185 -11.078 1.00 0.00 N ATOM 0 H ASN A 34 9.630 -11.274 -9.581 1.00 0.00 H new ATOM 0 HA ASN A 34 7.189 -10.241 -10.701 1.00 0.00 H new ATOM 0 HB2 ASN A 34 7.189 -12.493 -11.837 1.00 0.00 H new ATOM 0 HB3 ASN A 34 8.641 -11.550 -12.105 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.832 -13.927 -10.746 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.599 -12.406 -11.613 1.00 0.00 H new ATOM 465 N LYS A 35 7.084 -12.313 -8.211 1.00 0.00 N ATOM 466 CA LYS A 35 6.205 -12.976 -7.255 1.00 0.00 C ATOM 467 C LYS A 35 5.308 -11.965 -6.548 1.00 0.00 C ATOM 468 O LYS A 35 4.419 -12.337 -5.784 1.00 0.00 O ATOM 469 CB LYS A 35 7.031 -13.750 -6.224 1.00 0.00 C ATOM 470 CG LYS A 35 8.095 -12.908 -5.542 1.00 0.00 C ATOM 471 CD LYS A 35 8.715 -13.641 -4.364 1.00 0.00 C ATOM 472 CE LYS A 35 9.279 -12.671 -3.338 1.00 0.00 C ATOM 473 NZ LYS A 35 9.413 -13.300 -1.995 1.00 0.00 N ATOM 0 H LYS A 35 8.067 -12.295 -7.938 1.00 0.00 H new ATOM 0 HA LYS A 35 5.573 -13.674 -7.804 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.362 -14.158 -5.467 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.510 -14.597 -6.716 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.872 -12.650 -6.261 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.655 -11.972 -5.199 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.964 -14.275 -3.893 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.509 -14.298 -4.720 1.00 0.00 H new ATOM 0 HE2 LYS A 35 10.254 -12.316 -3.672 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.629 -11.799 -3.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.801 -12.606 -1.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.479 -13.616 -1.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.053 -14.117 -2.057 1.00 0.00 H new ATOM 487 N GLY A 36 5.548 -10.683 -6.810 1.00 0.00 N ATOM 488 CA GLY A 36 4.752 -9.638 -6.192 1.00 0.00 C ATOM 489 C GLY A 36 4.822 -9.676 -4.679 1.00 0.00 C ATOM 490 O GLY A 36 5.564 -10.473 -4.104 1.00 0.00 O ATOM 0 H GLY A 36 6.279 -10.350 -7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.097 -8.666 -6.545 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.714 -9.741 -6.508 1.00 0.00 H new ATOM 494 N ILE A 37 4.049 -8.810 -4.031 1.00 0.00 N ATOM 495 CA ILE A 37 4.027 -8.747 -2.575 1.00 0.00 C ATOM 496 C ILE A 37 2.622 -8.458 -2.059 1.00 0.00 C ATOM 497 O ILE A 37 1.830 -7.792 -2.725 1.00 0.00 O ATOM 498 CB ILE A 37 4.989 -7.669 -2.044 1.00 0.00 C ATOM 499 CG1 ILE A 37 5.084 -7.745 -0.518 1.00 0.00 C ATOM 500 CG2 ILE A 37 4.530 -6.286 -2.483 1.00 0.00 C ATOM 501 CD1 ILE A 37 6.035 -6.733 0.080 1.00 0.00 C ATOM 0 H ILE A 37 3.430 -8.143 -4.492 1.00 0.00 H new ATOM 0 HA ILE A 37 4.351 -9.722 -2.212 1.00 0.00 H new ATOM 0 HB ILE A 37 5.980 -7.851 -2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.092 -7.595 -0.093 1.00 0.00 H new ATOM 0 HG13 ILE A 37 5.405 -8.746 -0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.220 -5.535 -2.100 1.00 0.00 H new ATOM 0 HG22 ILE A 37 4.509 -6.238 -3.572 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.531 -6.093 -2.092 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.051 -6.845 1.164 1.00 0.00 H new ATOM 0 HD12 ILE A 37 7.037 -6.896 -0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 37 5.703 -5.727 -0.176 1.00 0.00 H new ATOM 513 N TRP A 38 2.320 -8.961 -0.867 1.00 0.00 N ATOM 514 CA TRP A 38 1.011 -8.755 -0.260 1.00 0.00 C ATOM 515 C TRP A 38 0.927 -7.383 0.402 1.00 0.00 C ATOM 516 O TRP A 38 1.866 -6.947 1.068 1.00 0.00 O ATOM 517 CB TRP A 38 0.725 -9.849 0.770 1.00 0.00 C ATOM 518 CG TRP A 38 -0.701 -9.874 1.230 1.00 0.00 C ATOM 519 CD1 TRP A 38 -1.808 -9.588 0.484 1.00 0.00 C ATOM 520 CD2 TRP A 38 -1.172 -10.201 2.542 1.00 0.00 C ATOM 521 NE1 TRP A 38 -2.940 -9.717 1.253 1.00 0.00 N ATOM 522 CE2 TRP A 38 -2.577 -10.093 2.519 1.00 0.00 C ATOM 523 CE3 TRP A 38 -0.545 -10.576 3.734 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -3.361 -10.346 3.641 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -1.325 -10.826 4.847 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.720 -10.711 4.794 1.00 0.00 C ATOM 0 H TRP A 38 2.964 -9.514 -0.302 1.00 0.00 H new ATOM 0 HA TRP A 38 0.261 -8.804 -1.050 1.00 0.00 H new ATOM 0 HB2 TRP A 38 0.977 -10.818 0.340 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.375 -9.704 1.633 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -1.796 -9.302 -0.557 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -3.895 -9.558 0.933 1.00 0.00 H new ATOM 0 HE3 TRP A 38 0.530 -10.669 3.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -4.437 -10.257 3.603 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -0.851 -11.115 5.773 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.302 -10.914 5.681 1.00 0.00 H new ATOM 537 N SER A 39 -0.203 -6.708 0.214 1.00 0.00 N ATOM 538 CA SER A 39 -0.407 -5.384 0.790 1.00 0.00 C ATOM 539 C SER A 39 0.077 -5.340 2.236 1.00 0.00 C ATOM 540 O SER A 39 0.716 -4.377 2.659 1.00 0.00 O ATOM 541 CB SER A 39 -1.885 -4.998 0.723 1.00 0.00 C ATOM 542 OG SER A 39 -2.693 -5.958 1.381 1.00 0.00 O ATOM 0 H SER A 39 -0.991 -7.056 -0.332 1.00 0.00 H new ATOM 0 HA SER A 39 0.175 -4.668 0.209 1.00 0.00 H new ATOM 0 HB2 SER A 39 -2.030 -4.020 1.182 1.00 0.00 H new ATOM 0 HB3 SER A 39 -2.194 -4.910 -0.318 1.00 0.00 H new ATOM 0 HG SER A 39 -3.633 -5.687 1.326 1.00 0.00 H new ATOM 548 N ARG A 40 -0.233 -6.391 2.989 1.00 0.00 N ATOM 549 CA ARG A 40 0.169 -6.473 4.388 1.00 0.00 C ATOM 550 C ARG A 40 1.685 -6.594 4.512 1.00 0.00 C ATOM 551 O ARG A 40 2.328 -5.793 5.192 1.00 0.00 O ATOM 552 CB ARG A 40 -0.506 -7.667 5.065 1.00 0.00 C ATOM 553 CG ARG A 40 -0.771 -7.457 6.547 1.00 0.00 C ATOM 554 CD ARG A 40 -1.517 -8.636 7.152 1.00 0.00 C ATOM 555 NE ARG A 40 -1.742 -8.464 8.585 1.00 0.00 N ATOM 556 CZ ARG A 40 -2.266 -9.403 9.364 1.00 0.00 C ATOM 557 NH1 ARG A 40 -2.616 -10.575 8.852 1.00 0.00 N ATOM 558 NH2 ARG A 40 -2.440 -9.172 10.659 1.00 0.00 N ATOM 0 H ARG A 40 -0.761 -7.197 2.654 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.147 -5.556 4.885 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.450 -7.873 4.561 1.00 0.00 H new ATOM 0 HB3 ARG A 40 0.122 -8.549 4.938 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.175 -7.316 7.070 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.352 -6.546 6.688 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.475 -8.757 6.647 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.949 -9.551 6.981 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.482 -7.574 9.010 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.483 -10.757 7.857 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.018 -11.294 9.453 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.171 -8.272 11.057 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.843 -9.894 11.256 1.00 0.00 H new ATOM 572 N ASP A 41 2.249 -7.600 3.853 1.00 0.00 N ATOM 573 CA ASP A 41 3.689 -7.826 3.889 1.00 0.00 C ATOM 574 C ASP A 41 4.449 -6.507 3.792 1.00 0.00 C ATOM 575 O ASP A 41 5.546 -6.369 4.333 1.00 0.00 O ATOM 576 CB ASP A 41 4.109 -8.756 2.751 1.00 0.00 C ATOM 577 CG ASP A 41 3.686 -10.192 2.990 1.00 0.00 C ATOM 578 OD1 ASP A 41 2.710 -10.406 3.739 1.00 0.00 O ATOM 579 OD2 ASP A 41 4.332 -11.103 2.429 1.00 0.00 O ATOM 0 H ASP A 41 1.731 -8.272 3.287 1.00 0.00 H new ATOM 0 HA ASP A 41 3.934 -8.296 4.841 1.00 0.00 H new ATOM 0 HB2 ASP A 41 3.672 -8.402 1.817 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.192 -8.714 2.633 1.00 0.00 H new ATOM 584 N VAL A 42 3.858 -5.539 3.098 1.00 0.00 N ATOM 585 CA VAL A 42 4.479 -4.231 2.930 1.00 0.00 C ATOM 586 C VAL A 42 4.448 -3.436 4.230 1.00 0.00 C ATOM 587 O VAL A 42 5.472 -2.925 4.682 1.00 0.00 O ATOM 588 CB VAL A 42 3.779 -3.415 1.826 1.00 0.00 C ATOM 589 CG1 VAL A 42 4.414 -2.040 1.694 1.00 0.00 C ATOM 590 CG2 VAL A 42 3.825 -4.163 0.502 1.00 0.00 C ATOM 0 H VAL A 42 2.950 -5.636 2.643 1.00 0.00 H new ATOM 0 HA VAL A 42 5.515 -4.408 2.640 1.00 0.00 H new ATOM 0 HB VAL A 42 2.734 -3.280 2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.906 -1.479 0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.324 -1.505 2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.468 -2.149 1.438 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.326 -3.573 -0.267 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.863 -4.330 0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.319 -5.122 0.608 1.00 0.00 H new ATOM 600 N ARG A 43 3.265 -3.337 4.829 1.00 0.00 N ATOM 601 CA ARG A 43 3.100 -2.604 6.078 1.00 0.00 C ATOM 602 C ARG A 43 4.342 -2.736 6.954 1.00 0.00 C ATOM 603 O ARG A 43 4.922 -1.737 7.381 1.00 0.00 O ATOM 604 CB ARG A 43 1.872 -3.114 6.835 1.00 0.00 C ATOM 605 CG ARG A 43 0.590 -2.378 6.483 1.00 0.00 C ATOM 606 CD ARG A 43 -0.502 -2.639 7.509 1.00 0.00 C ATOM 607 NE ARG A 43 -0.078 -2.285 8.861 1.00 0.00 N ATOM 608 CZ ARG A 43 -0.703 -2.699 9.958 1.00 0.00 C ATOM 609 NH1 ARG A 43 -1.773 -3.477 9.863 1.00 0.00 N ATOM 610 NH2 ARG A 43 -0.257 -2.335 11.154 1.00 0.00 N ATOM 0 H ARG A 43 2.407 -3.755 4.469 1.00 0.00 H new ATOM 0 HA ARG A 43 2.958 -1.551 5.836 1.00 0.00 H new ATOM 0 HB2 ARG A 43 1.741 -4.175 6.624 1.00 0.00 H new ATOM 0 HB3 ARG A 43 2.052 -3.021 7.906 1.00 0.00 H new ATOM 0 HG2 ARG A 43 0.788 -1.308 6.425 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.247 -2.693 5.497 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.391 -2.066 7.246 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.782 -3.692 7.481 1.00 0.00 H new ATOM 0 HE ARG A 43 0.742 -1.688 8.969 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.118 -3.759 8.946 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -2.250 -3.793 10.707 1.00 0.00 H new ATOM 0 HH21 ARG A 43 0.566 -1.737 11.231 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -0.737 -2.653 11.996 1.00 0.00 H new ATOM 624 N TYR A 44 4.744 -3.974 7.219 1.00 0.00 N ATOM 625 CA TYR A 44 5.916 -4.237 8.046 1.00 0.00 C ATOM 626 C TYR A 44 7.167 -3.615 7.433 1.00 0.00 C ATOM 627 O TYR A 44 7.850 -2.811 8.067 1.00 0.00 O ATOM 628 CB TYR A 44 6.115 -5.743 8.221 1.00 0.00 C ATOM 629 CG TYR A 44 4.821 -6.514 8.353 1.00 0.00 C ATOM 630 CD1 TYR A 44 4.129 -6.947 7.229 1.00 0.00 C ATOM 631 CD2 TYR A 44 4.291 -6.810 9.603 1.00 0.00 C ATOM 632 CE1 TYR A 44 2.946 -7.651 7.346 1.00 0.00 C ATOM 633 CE2 TYR A 44 3.109 -7.514 9.729 1.00 0.00 C ATOM 634 CZ TYR A 44 2.440 -7.932 8.598 1.00 0.00 C ATOM 635 OH TYR A 44 1.263 -8.634 8.718 1.00 0.00 O ATOM 0 H TYR A 44 4.276 -4.811 6.873 1.00 0.00 H new ATOM 0 HA TYR A 44 5.749 -3.783 9.023 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.672 -6.129 7.367 1.00 0.00 H new ATOM 0 HB3 TYR A 44 6.725 -5.920 9.107 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.522 -6.730 6.247 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.812 -6.484 10.491 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.420 -7.980 6.462 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.711 -7.736 10.708 1.00 0.00 H new ATOM 0 HH TYR A 44 1.046 -8.749 9.667 1.00 0.00 H new ATOM 645 N LYS A 45 7.460 -3.993 6.193 1.00 0.00 N ATOM 646 CA LYS A 45 8.627 -3.472 5.491 1.00 0.00 C ATOM 647 C LYS A 45 8.649 -1.947 5.528 1.00 0.00 C ATOM 648 O LYS A 45 9.575 -1.343 6.069 1.00 0.00 O ATOM 649 CB LYS A 45 8.633 -3.958 4.040 1.00 0.00 C ATOM 650 CG LYS A 45 8.625 -5.471 3.905 1.00 0.00 C ATOM 651 CD LYS A 45 9.752 -6.107 4.701 1.00 0.00 C ATOM 652 CE LYS A 45 10.079 -7.501 4.188 1.00 0.00 C ATOM 653 NZ LYS A 45 10.745 -8.333 5.228 1.00 0.00 N ATOM 0 H LYS A 45 6.905 -4.658 5.654 1.00 0.00 H new ATOM 0 HA LYS A 45 9.519 -3.842 5.996 1.00 0.00 H new ATOM 0 HB2 LYS A 45 7.762 -3.551 3.526 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.515 -3.561 3.536 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.668 -5.863 4.250 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.721 -5.744 2.854 1.00 0.00 H new ATOM 0 HD2 LYS A 45 10.641 -5.479 4.641 1.00 0.00 H new ATOM 0 HD3 LYS A 45 9.470 -6.162 5.753 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.162 -7.992 3.862 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.727 -7.424 3.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.951 -9.275 4.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.633 -7.877 5.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.117 -8.428 6.051 1.00 0.00 H new ATOM 667 N SER A 46 7.623 -1.331 4.949 1.00 0.00 N ATOM 668 CA SER A 46 7.526 0.123 4.915 1.00 0.00 C ATOM 669 C SER A 46 7.293 0.686 6.313 1.00 0.00 C ATOM 670 O SER A 46 7.399 1.892 6.535 1.00 0.00 O ATOM 671 CB SER A 46 6.393 0.558 3.982 1.00 0.00 C ATOM 672 OG SER A 46 5.141 0.088 4.449 1.00 0.00 O ATOM 0 H SER A 46 6.848 -1.816 4.497 1.00 0.00 H new ATOM 0 HA SER A 46 8.470 0.516 4.537 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.373 1.645 3.911 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.577 0.176 2.978 1.00 0.00 H new ATOM 0 HG SER A 46 5.163 -0.889 4.517 1.00 0.00 H new ATOM 678 N ASN A 47 6.975 -0.197 7.254 1.00 0.00 N ATOM 679 CA ASN A 47 6.726 0.211 8.632 1.00 0.00 C ATOM 680 C ASN A 47 5.662 1.302 8.693 1.00 0.00 C ATOM 681 O ASN A 47 5.641 2.113 9.620 1.00 0.00 O ATOM 682 CB ASN A 47 8.020 0.708 9.281 1.00 0.00 C ATOM 683 CG ASN A 47 8.800 -0.410 9.946 1.00 0.00 C ATOM 684 OD1 ASN A 47 8.531 -0.772 11.092 1.00 0.00 O ATOM 685 ND2 ASN A 47 9.771 -0.962 9.229 1.00 0.00 N ATOM 0 H ASN A 47 6.884 -1.199 7.088 1.00 0.00 H new ATOM 0 HA ASN A 47 6.362 -0.657 9.181 1.00 0.00 H new ATOM 0 HB2 ASN A 47 8.644 1.182 8.524 1.00 0.00 H new ATOM 0 HB3 ASN A 47 7.782 1.472 10.022 1.00 0.00 H new ATOM 0 HD21 ASN A 47 10.330 -1.719 9.624 1.00 0.00 H new ATOM 0 HD22 ASN A 47 9.958 -0.630 8.283 1.00 0.00 H new ATOM 692 N LEU A 48 4.780 1.316 7.700 1.00 0.00 N ATOM 693 CA LEU A 48 3.711 2.307 7.640 1.00 0.00 C ATOM 694 C LEU A 48 2.363 1.675 7.970 1.00 0.00 C ATOM 695 O LEU A 48 2.167 0.467 7.837 1.00 0.00 O ATOM 696 CB LEU A 48 3.660 2.948 6.252 1.00 0.00 C ATOM 697 CG LEU A 48 4.714 4.019 5.968 1.00 0.00 C ATOM 698 CD1 LEU A 48 4.777 4.326 4.480 1.00 0.00 C ATOM 699 CD2 LEU A 48 4.417 5.282 6.763 1.00 0.00 C ATOM 0 H LEU A 48 4.784 0.652 6.925 1.00 0.00 H new ATOM 0 HA LEU A 48 3.922 3.077 8.382 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.762 2.160 5.506 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.674 3.392 6.115 1.00 0.00 H new ATOM 0 HG LEU A 48 5.686 3.637 6.280 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.533 5.090 4.298 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.038 3.420 3.932 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.806 4.688 4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.177 6.034 6.549 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.437 5.667 6.482 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.425 5.052 7.828 1.00 0.00 H new ATOM 711 N PRO A 49 1.409 2.509 8.409 1.00 0.00 N ATOM 712 CA PRO A 49 0.061 2.055 8.765 1.00 0.00 C ATOM 713 C PRO A 49 -0.744 1.619 7.545 1.00 0.00 C ATOM 714 O PRO A 49 -0.484 2.063 6.426 1.00 0.00 O ATOM 715 CB PRO A 49 -0.571 3.290 9.410 1.00 0.00 C ATOM 716 CG PRO A 49 0.167 4.444 8.824 1.00 0.00 C ATOM 717 CD PRO A 49 1.573 3.961 8.592 1.00 0.00 C ATOM 0 HA PRO A 49 0.084 1.182 9.417 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.637 3.349 9.190 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.470 3.265 10.495 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -0.293 4.768 7.891 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.154 5.299 9.500 1.00 0.00 H new ATOM 0 HD2 PRO A 49 2.019 4.429 7.714 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.221 4.189 9.438 1.00 0.00 H new ATOM 725 N LEU A 50 -1.723 0.749 7.768 1.00 0.00 N ATOM 726 CA LEU A 50 -2.568 0.254 6.687 1.00 0.00 C ATOM 727 C LEU A 50 -3.091 1.406 5.834 1.00 0.00 C ATOM 728 O LEU A 50 -3.086 1.335 4.605 1.00 0.00 O ATOM 729 CB LEU A 50 -3.739 -0.548 7.255 1.00 0.00 C ATOM 730 CG LEU A 50 -4.475 -1.453 6.266 1.00 0.00 C ATOM 731 CD1 LEU A 50 -4.899 -0.666 5.036 1.00 0.00 C ATOM 732 CD2 LEU A 50 -3.601 -2.634 5.871 1.00 0.00 C ATOM 0 H LEU A 50 -1.951 0.372 8.688 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.964 -0.396 6.055 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.368 -1.164 8.074 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.458 0.150 7.682 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.371 -1.837 6.753 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.421 -1.326 4.344 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.563 0.145 5.334 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.017 -0.252 4.547 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.141 -3.267 5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.686 -2.269 5.403 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.348 -3.213 6.759 1.00 0.00 H new ATOM 744 N THR A 51 -3.542 2.468 6.495 1.00 0.00 N ATOM 745 CA THR A 51 -4.068 3.635 5.798 1.00 0.00 C ATOM 746 C THR A 51 -3.026 4.229 4.857 1.00 0.00 C ATOM 747 O THR A 51 -3.367 4.902 3.885 1.00 0.00 O ATOM 748 CB THR A 51 -4.526 4.721 6.789 1.00 0.00 C ATOM 749 OG1 THR A 51 -5.292 5.718 6.104 1.00 0.00 O ATOM 750 CG2 THR A 51 -3.332 5.371 7.471 1.00 0.00 C ATOM 0 H THR A 51 -3.553 2.544 7.512 1.00 0.00 H new ATOM 0 HA THR A 51 -4.927 3.297 5.218 1.00 0.00 H new ATOM 0 HB THR A 51 -5.145 4.248 7.551 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.581 6.404 6.742 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.681 6.135 8.166 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.768 4.614 8.016 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.690 5.831 6.720 1.00 0.00 H new ATOM 758 N GLU A 52 -1.755 3.974 5.152 1.00 0.00 N ATOM 759 CA GLU A 52 -0.664 4.485 4.331 1.00 0.00 C ATOM 760 C GLU A 52 -0.354 3.529 3.182 1.00 0.00 C ATOM 761 O GLU A 52 -0.166 3.953 2.042 1.00 0.00 O ATOM 762 CB GLU A 52 0.589 4.699 5.183 1.00 0.00 C ATOM 763 CG GLU A 52 0.634 6.054 5.869 1.00 0.00 C ATOM 764 CD GLU A 52 0.844 7.196 4.894 1.00 0.00 C ATOM 765 OE1 GLU A 52 0.613 6.991 3.683 1.00 0.00 O ATOM 766 OE2 GLU A 52 1.240 8.293 5.340 1.00 0.00 O ATOM 0 H GLU A 52 -1.456 3.417 5.953 1.00 0.00 H new ATOM 0 HA GLU A 52 -0.977 5.441 3.911 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.642 3.916 5.940 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.471 4.592 4.551 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.297 6.213 6.413 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.438 6.058 6.605 1.00 0.00 H new ATOM 773 N ILE A 53 -0.301 2.238 3.493 1.00 0.00 N ATOM 774 CA ILE A 53 -0.015 1.222 2.488 1.00 0.00 C ATOM 775 C ILE A 53 -1.137 1.134 1.459 1.00 0.00 C ATOM 776 O ILE A 53 -0.891 0.910 0.275 1.00 0.00 O ATOM 777 CB ILE A 53 0.189 -0.163 3.129 1.00 0.00 C ATOM 778 CG1 ILE A 53 1.588 -0.266 3.739 1.00 0.00 C ATOM 779 CG2 ILE A 53 -0.029 -1.261 2.099 1.00 0.00 C ATOM 780 CD1 ILE A 53 1.835 0.722 4.857 1.00 0.00 C ATOM 0 H ILE A 53 -0.452 1.871 4.433 1.00 0.00 H new ATOM 0 HA ILE A 53 0.907 1.522 1.991 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.544 -0.290 3.926 1.00 0.00 H new ATOM 0 HG12 ILE A 53 1.736 -1.277 4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.329 -0.108 2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.119 -2.234 2.568 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.045 -1.197 1.708 1.00 0.00 H new ATOM 0 HG23 ILE A 53 0.682 -1.140 1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.847 0.591 5.241 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.720 1.737 4.477 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.117 0.551 5.659 1.00 0.00 H new ATOM 792 N ASN A 54 -2.370 1.315 1.921 1.00 0.00 N ATOM 793 CA ASN A 54 -3.532 1.257 1.041 1.00 0.00 C ATOM 794 C ASN A 54 -3.541 2.438 0.074 1.00 0.00 C ATOM 795 O ASN A 54 -3.651 2.261 -1.139 1.00 0.00 O ATOM 796 CB ASN A 54 -4.822 1.247 1.864 1.00 0.00 C ATOM 797 CG ASN A 54 -5.254 -0.156 2.244 1.00 0.00 C ATOM 798 OD1 ASN A 54 -4.464 -1.099 2.184 1.00 0.00 O ATOM 799 ND2 ASN A 54 -6.514 -0.301 2.637 1.00 0.00 N ATOM 0 H ASN A 54 -2.590 1.503 2.899 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.472 0.336 0.462 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.677 1.837 2.769 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -5.617 1.727 1.294 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -6.862 -1.222 2.904 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.134 0.508 2.672 1.00 0.00 H new ATOM 806 N LYS A 55 -3.425 3.643 0.621 1.00 0.00 N ATOM 807 CA LYS A 55 -3.418 4.854 -0.191 1.00 0.00 C ATOM 808 C LYS A 55 -2.161 4.925 -1.052 1.00 0.00 C ATOM 809 O LYS A 55 -2.208 5.366 -2.201 1.00 0.00 O ATOM 810 CB LYS A 55 -3.506 6.093 0.703 1.00 0.00 C ATOM 811 CG LYS A 55 -2.297 6.282 1.602 1.00 0.00 C ATOM 812 CD LYS A 55 -2.528 7.382 2.625 1.00 0.00 C ATOM 813 CE LYS A 55 -2.591 8.751 1.966 1.00 0.00 C ATOM 814 NZ LYS A 55 -2.257 9.843 2.922 1.00 0.00 N ATOM 0 H LYS A 55 -3.335 3.807 1.624 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.287 4.825 -0.849 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -3.623 6.976 0.075 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -4.401 6.021 1.322 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.075 5.347 2.116 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.426 6.526 0.995 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.458 7.192 3.162 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.726 7.369 3.363 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -1.899 8.781 1.124 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.590 8.914 1.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -2.311 10.760 2.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -2.933 9.831 3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.294 9.702 3.288 1.00 0.00 H new ATOM 828 N ILE A 56 -1.039 4.486 -0.491 1.00 0.00 N ATOM 829 CA ILE A 56 0.229 4.498 -1.209 1.00 0.00 C ATOM 830 C ILE A 56 0.237 3.462 -2.328 1.00 0.00 C ATOM 831 O ILE A 56 0.479 3.789 -3.491 1.00 0.00 O ATOM 832 CB ILE A 56 1.414 4.225 -0.264 1.00 0.00 C ATOM 833 CG1 ILE A 56 1.643 5.421 0.662 1.00 0.00 C ATOM 834 CG2 ILE A 56 2.671 3.919 -1.065 1.00 0.00 C ATOM 835 CD1 ILE A 56 2.419 5.077 1.913 1.00 0.00 C ATOM 0 H ILE A 56 -0.983 4.118 0.459 1.00 0.00 H new ATOM 0 HA ILE A 56 0.339 5.494 -1.638 1.00 0.00 H new ATOM 0 HB ILE A 56 1.177 3.356 0.349 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.178 6.197 0.114 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.678 5.840 0.947 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.500 3.728 -0.383 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.502 3.039 -1.685 1.00 0.00 H new ATOM 0 HG23 ILE A 56 2.913 4.770 -1.701 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.544 5.973 2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.875 4.324 2.483 1.00 0.00 H new ATOM 0 HD13 ILE A 56 3.399 4.686 1.638 1.00 0.00 H new ATOM 847 N LEU A 57 -0.032 2.211 -1.970 1.00 0.00 N ATOM 848 CA LEU A 57 -0.058 1.125 -2.944 1.00 0.00 C ATOM 849 C LEU A 57 -0.825 1.537 -4.197 1.00 0.00 C ATOM 850 O LEU A 57 -0.352 1.346 -5.318 1.00 0.00 O ATOM 851 CB LEU A 57 -0.695 -0.123 -2.330 1.00 0.00 C ATOM 852 CG LEU A 57 0.226 -0.994 -1.475 1.00 0.00 C ATOM 853 CD1 LEU A 57 -0.541 -2.172 -0.894 1.00 0.00 C ATOM 854 CD2 LEU A 57 1.412 -1.480 -2.295 1.00 0.00 C ATOM 0 H LEU A 57 -0.235 1.924 -1.013 1.00 0.00 H new ATOM 0 HA LEU A 57 0.970 0.898 -3.227 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.540 0.189 -1.716 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.096 -0.736 -3.137 1.00 0.00 H new ATOM 0 HG LEU A 57 0.603 -0.390 -0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.131 -2.781 -0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.357 -1.804 -0.272 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.947 -2.777 -1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.057 -2.098 -1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.054 -2.067 -3.140 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.976 -0.623 -2.662 1.00 0.00 H new ATOM 866 N LYS A 58 -2.010 2.103 -4.000 1.00 0.00 N ATOM 867 CA LYS A 58 -2.842 2.546 -5.113 1.00 0.00 C ATOM 868 C LYS A 58 -2.184 3.702 -5.858 1.00 0.00 C ATOM 869 O LYS A 58 -1.933 3.615 -7.060 1.00 0.00 O ATOM 870 CB LYS A 58 -4.222 2.971 -4.607 1.00 0.00 C ATOM 871 CG LYS A 58 -5.309 2.893 -5.665 1.00 0.00 C ATOM 872 CD LYS A 58 -6.695 3.002 -5.051 1.00 0.00 C ATOM 873 CE LYS A 58 -7.777 3.030 -6.119 1.00 0.00 C ATOM 874 NZ LYS A 58 -7.806 4.330 -6.846 1.00 0.00 N ATOM 0 H LYS A 58 -2.417 2.266 -3.079 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.956 1.710 -5.804 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.501 2.339 -3.764 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.164 3.993 -4.233 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.168 3.693 -6.392 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.223 1.951 -6.207 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.865 2.159 -4.382 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -6.756 3.907 -4.446 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.607 2.221 -6.829 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.748 2.851 -5.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.629 4.354 -7.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.874 5.109 -6.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.935 4.435 -7.404 1.00 0.00 H new ATOM 888 N ASN A 59 -1.906 4.783 -5.137 1.00 0.00 N ATOM 889 CA ASN A 59 -1.275 5.957 -5.731 1.00 0.00 C ATOM 890 C ASN A 59 -0.168 5.548 -6.699 1.00 0.00 C ATOM 891 O ASN A 59 0.118 6.255 -7.666 1.00 0.00 O ATOM 892 CB ASN A 59 -0.704 6.862 -4.639 1.00 0.00 C ATOM 893 CG ASN A 59 -1.701 7.906 -4.174 1.00 0.00 C ATOM 894 OD1 ASN A 59 -2.515 8.395 -4.956 1.00 0.00 O ATOM 895 ND2 ASN A 59 -1.639 8.253 -2.893 1.00 0.00 N ATOM 0 H ASN A 59 -2.107 4.871 -4.141 1.00 0.00 H new ATOM 0 HA ASN A 59 -2.035 6.505 -6.287 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.397 6.252 -3.789 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.191 7.359 -5.014 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.283 8.951 -2.522 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.947 7.821 -2.281 1.00 0.00 H new ATOM 902 N LEU A 60 0.450 4.403 -6.432 1.00 0.00 N ATOM 903 CA LEU A 60 1.526 3.899 -7.279 1.00 0.00 C ATOM 904 C LEU A 60 0.969 3.297 -8.566 1.00 0.00 C ATOM 905 O LEU A 60 1.483 3.551 -9.654 1.00 0.00 O ATOM 906 CB LEU A 60 2.346 2.851 -6.526 1.00 0.00 C ATOM 907 CG LEU A 60 3.175 3.367 -5.349 1.00 0.00 C ATOM 908 CD1 LEU A 60 3.692 2.207 -4.512 1.00 0.00 C ATOM 909 CD2 LEU A 60 4.329 4.226 -5.844 1.00 0.00 C ATOM 0 H LEU A 60 0.225 3.806 -5.636 1.00 0.00 H new ATOM 0 HA LEU A 60 2.172 4.737 -7.541 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.666 2.083 -6.157 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.019 2.367 -7.234 1.00 0.00 H new ATOM 0 HG LEU A 60 2.533 3.985 -4.721 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.280 2.593 -3.679 1.00 0.00 H new ATOM 0 HD12 LEU A 60 2.850 1.633 -4.126 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.318 1.563 -5.130 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.907 4.584 -4.992 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.971 3.633 -6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.936 5.078 -6.400 1.00 0.00 H new ATOM 921 N GLU A 61 -0.087 2.500 -8.432 1.00 0.00 N ATOM 922 CA GLU A 61 -0.714 1.864 -9.584 1.00 0.00 C ATOM 923 C GLU A 61 -1.191 2.908 -10.589 1.00 0.00 C ATOM 924 O GLU A 61 -1.457 2.592 -11.749 1.00 0.00 O ATOM 925 CB GLU A 61 -1.891 0.995 -9.137 1.00 0.00 C ATOM 926 CG GLU A 61 -1.471 -0.280 -8.425 1.00 0.00 C ATOM 927 CD GLU A 61 -2.633 -0.981 -7.748 1.00 0.00 C ATOM 928 OE1 GLU A 61 -3.169 -0.426 -6.766 1.00 0.00 O ATOM 929 OE2 GLU A 61 -3.005 -2.084 -8.200 1.00 0.00 O ATOM 0 H GLU A 61 -0.525 2.280 -7.538 1.00 0.00 H new ATOM 0 HA GLU A 61 0.031 1.233 -10.068 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.530 1.578 -8.474 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.490 0.733 -10.009 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.011 -0.958 -9.144 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.711 -0.042 -7.680 1.00 0.00 H new ATOM 936 N SER A 62 -1.298 4.152 -10.135 1.00 0.00 N ATOM 937 CA SER A 62 -1.748 5.243 -10.992 1.00 0.00 C ATOM 938 C SER A 62 -0.576 5.853 -11.754 1.00 0.00 C ATOM 939 O SER A 62 -0.718 6.275 -12.902 1.00 0.00 O ATOM 940 CB SER A 62 -2.446 6.320 -10.160 1.00 0.00 C ATOM 941 OG SER A 62 -3.429 6.998 -10.924 1.00 0.00 O ATOM 0 H SER A 62 -1.079 4.430 -9.178 1.00 0.00 H new ATOM 0 HA SER A 62 -2.457 4.836 -11.714 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.911 5.864 -9.286 1.00 0.00 H new ATOM 0 HB3 SER A 62 -1.709 7.035 -9.793 1.00 0.00 H new ATOM 0 HG SER A 62 -3.862 7.680 -10.369 1.00 0.00 H new ATOM 947 N LYS A 63 0.584 5.898 -11.107 1.00 0.00 N ATOM 948 CA LYS A 63 1.783 6.456 -11.721 1.00 0.00 C ATOM 949 C LYS A 63 2.445 5.438 -12.644 1.00 0.00 C ATOM 950 O LYS A 63 3.578 5.629 -13.085 1.00 0.00 O ATOM 951 CB LYS A 63 2.773 6.901 -10.643 1.00 0.00 C ATOM 952 CG LYS A 63 2.148 7.771 -9.565 1.00 0.00 C ATOM 953 CD LYS A 63 2.970 7.751 -8.287 1.00 0.00 C ATOM 954 CE LYS A 63 2.776 9.026 -7.480 1.00 0.00 C ATOM 955 NZ LYS A 63 1.640 8.909 -6.523 1.00 0.00 N ATOM 0 H LYS A 63 0.719 5.554 -10.156 1.00 0.00 H new ATOM 0 HA LYS A 63 1.488 7.321 -12.314 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.211 6.018 -10.177 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.588 7.450 -11.114 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.062 8.795 -9.927 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.137 7.421 -9.354 1.00 0.00 H new ATOM 0 HD2 LYS A 63 2.685 6.890 -7.683 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.025 7.632 -8.533 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.691 9.252 -6.932 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.596 9.861 -8.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.453 9.836 -6.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.791 8.586 -7.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.882 8.223 -5.780 1.00 0.00 H new ATOM 969 N LYS A 64 1.729 4.356 -12.934 1.00 0.00 N ATOM 970 CA LYS A 64 2.245 3.309 -13.808 1.00 0.00 C ATOM 971 C LYS A 64 3.545 2.732 -13.256 1.00 0.00 C ATOM 972 O LYS A 64 4.458 2.397 -14.012 1.00 0.00 O ATOM 973 CB LYS A 64 2.477 3.859 -15.217 1.00 0.00 C ATOM 974 CG LYS A 64 1.233 4.461 -15.846 1.00 0.00 C ATOM 975 CD LYS A 64 0.316 3.388 -16.408 1.00 0.00 C ATOM 976 CE LYS A 64 -0.630 3.955 -17.455 1.00 0.00 C ATOM 977 NZ LYS A 64 -0.043 3.899 -18.823 1.00 0.00 N ATOM 0 H LYS A 64 0.790 4.182 -12.576 1.00 0.00 H new ATOM 0 HA LYS A 64 1.504 2.511 -13.854 1.00 0.00 H new ATOM 0 HB2 LYS A 64 3.258 4.618 -15.178 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.845 3.056 -15.856 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.695 5.047 -15.101 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.523 5.147 -16.642 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.915 2.592 -16.850 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.261 2.941 -15.599 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -1.566 3.397 -17.439 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.871 4.988 -17.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.719 4.295 -19.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 0.837 4.453 -18.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 0.163 2.911 -19.072 1.00 0.00 H new ATOM 991 N LEU A 65 3.622 2.617 -11.935 1.00 0.00 N ATOM 992 CA LEU A 65 4.811 2.078 -11.282 1.00 0.00 C ATOM 993 C LEU A 65 4.593 0.626 -10.867 1.00 0.00 C ATOM 994 O LEU A 65 5.533 -0.169 -10.842 1.00 0.00 O ATOM 995 CB LEU A 65 5.170 2.922 -10.058 1.00 0.00 C ATOM 996 CG LEU A 65 5.523 4.384 -10.330 1.00 0.00 C ATOM 997 CD1 LEU A 65 5.786 5.122 -9.027 1.00 0.00 C ATOM 998 CD2 LEU A 65 6.730 4.479 -11.252 1.00 0.00 C ATOM 0 H LEU A 65 2.876 2.889 -11.295 1.00 0.00 H new ATOM 0 HA LEU A 65 5.635 2.113 -11.995 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.330 2.895 -9.364 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.015 2.453 -9.554 1.00 0.00 H new ATOM 0 HG LEU A 65 4.674 4.856 -10.825 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.036 6.161 -9.241 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.894 5.085 -8.401 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.617 4.650 -8.503 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.967 5.527 -11.435 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.585 3.990 -10.784 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.504 3.988 -12.199 1.00 0.00 H new ATOM 1010 N ILE A 66 3.349 0.288 -10.546 1.00 0.00 N ATOM 1011 CA ILE A 66 3.009 -1.069 -10.136 1.00 0.00 C ATOM 1012 C ILE A 66 1.620 -1.460 -10.629 1.00 0.00 C ATOM 1013 O ILE A 66 0.973 -0.708 -11.359 1.00 0.00 O ATOM 1014 CB ILE A 66 3.060 -1.224 -8.605 1.00 0.00 C ATOM 1015 CG1 ILE A 66 1.942 -0.409 -7.950 1.00 0.00 C ATOM 1016 CG2 ILE A 66 4.418 -0.791 -8.073 1.00 0.00 C ATOM 1017 CD1 ILE A 66 1.441 -1.003 -6.652 1.00 0.00 C ATOM 0 H ILE A 66 2.560 0.934 -10.562 1.00 0.00 H new ATOM 0 HA ILE A 66 3.751 -1.729 -10.585 1.00 0.00 H new ATOM 0 HB ILE A 66 2.912 -2.275 -8.357 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.303 0.602 -7.762 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.108 -0.325 -8.647 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.438 -0.907 -6.989 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.197 -1.410 -8.518 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.593 0.254 -8.330 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.650 -0.373 -6.245 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.049 -2.003 -6.837 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.262 -1.062 -5.938 1.00 0.00 H new ATOM 1029 N LYS A 67 1.165 -2.641 -10.225 1.00 0.00 N ATOM 1030 CA LYS A 67 -0.149 -3.132 -10.622 1.00 0.00 C ATOM 1031 C LYS A 67 -0.650 -4.194 -9.648 1.00 0.00 C ATOM 1032 O LYS A 67 0.108 -4.696 -8.819 1.00 0.00 O ATOM 1033 CB LYS A 67 -0.093 -3.709 -12.039 1.00 0.00 C ATOM 1034 CG LYS A 67 1.161 -4.520 -12.316 1.00 0.00 C ATOM 1035 CD LYS A 67 1.349 -4.765 -13.804 1.00 0.00 C ATOM 1036 CE LYS A 67 0.696 -6.067 -14.241 1.00 0.00 C ATOM 1037 NZ LYS A 67 0.225 -6.006 -15.652 1.00 0.00 N ATOM 0 H LYS A 67 1.688 -3.276 -9.622 1.00 0.00 H new ATOM 0 HA LYS A 67 -0.844 -2.293 -10.605 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -0.967 -4.340 -12.200 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.153 -2.892 -12.758 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.030 -3.995 -11.920 1.00 0.00 H new ATOM 0 HG3 LYS A 67 1.101 -5.475 -11.794 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.922 -3.935 -14.367 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.413 -4.794 -14.037 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.408 -6.885 -14.131 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -0.147 -6.288 -13.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.214 -6.913 -15.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.474 -5.242 -15.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.033 -5.821 -16.280 1.00 0.00 H new ATOM 1051 N ALA A 68 -1.931 -4.531 -9.756 1.00 0.00 N ATOM 1052 CA ALA A 68 -2.532 -5.536 -8.887 1.00 0.00 C ATOM 1053 C ALA A 68 -2.657 -6.876 -9.603 1.00 0.00 C ATOM 1054 O ALA A 68 -3.282 -6.971 -10.659 1.00 0.00 O ATOM 1055 CB ALA A 68 -3.894 -5.065 -8.400 1.00 0.00 C ATOM 0 H ALA A 68 -2.572 -4.123 -10.436 1.00 0.00 H new ATOM 0 HA ALA A 68 -1.879 -5.674 -8.025 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -4.331 -5.825 -7.752 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -3.780 -4.135 -7.843 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.548 -4.897 -9.256 1.00 0.00 H new ATOM 1061 N VAL A 69 -2.059 -7.911 -9.021 1.00 0.00 N ATOM 1062 CA VAL A 69 -2.104 -9.247 -9.603 1.00 0.00 C ATOM 1063 C VAL A 69 -2.604 -10.271 -8.591 1.00 0.00 C ATOM 1064 O VAL A 69 -1.841 -10.761 -7.758 1.00 0.00 O ATOM 1065 CB VAL A 69 -0.719 -9.683 -10.117 1.00 0.00 C ATOM 1066 CG1 VAL A 69 -0.762 -11.119 -10.617 1.00 0.00 C ATOM 1067 CG2 VAL A 69 -0.237 -8.743 -11.212 1.00 0.00 C ATOM 0 H VAL A 69 -1.538 -7.850 -8.147 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.797 -9.203 -10.443 1.00 0.00 H new ATOM 0 HB VAL A 69 -0.012 -9.633 -9.289 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.225 -11.409 -10.976 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.060 -11.779 -9.802 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.482 -11.199 -11.431 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.743 -9.066 -11.563 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.943 -8.759 -12.042 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.165 -7.730 -10.816 1.00 0.00 H new ATOM 1223 N VAL A 79 -1.994 -8.710 -4.391 1.00 0.00 N ATOM 1224 CA VAL A 79 -0.558 -8.657 -4.634 1.00 0.00 C ATOM 1225 C VAL A 79 -0.196 -7.484 -5.537 1.00 0.00 C ATOM 1226 O VAL A 79 -0.866 -7.227 -6.538 1.00 0.00 O ATOM 1227 CB VAL A 79 -0.049 -9.961 -5.276 1.00 0.00 C ATOM 1228 CG1 VAL A 79 1.471 -10.002 -5.271 1.00 0.00 C ATOM 1229 CG2 VAL A 79 -0.625 -11.170 -4.554 1.00 0.00 C ATOM 0 HA VAL A 79 -0.078 -8.527 -3.664 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.386 -9.990 -6.312 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.811 -10.931 -5.729 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.860 -9.155 -5.836 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.833 -9.949 -4.244 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.255 -12.083 -5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.320 -11.148 -3.508 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -1.713 -11.146 -4.616 1.00 0.00 H new ATOM 1239 N TYR A 80 0.868 -6.774 -5.179 1.00 0.00 N ATOM 1240 CA TYR A 80 1.319 -5.626 -5.956 1.00 0.00 C ATOM 1241 C TYR A 80 2.763 -5.810 -6.413 1.00 0.00 C ATOM 1242 O TYR A 80 3.646 -6.111 -5.611 1.00 0.00 O ATOM 1243 CB TYR A 80 1.193 -4.344 -5.132 1.00 0.00 C ATOM 1244 CG TYR A 80 -0.232 -4.003 -4.756 1.00 0.00 C ATOM 1245 CD1 TYR A 80 -1.058 -3.316 -5.636 1.00 0.00 C ATOM 1246 CD2 TYR A 80 -0.751 -4.370 -3.520 1.00 0.00 C ATOM 1247 CE1 TYR A 80 -2.360 -3.002 -5.296 1.00 0.00 C ATOM 1248 CE2 TYR A 80 -2.052 -4.062 -3.173 1.00 0.00 C ATOM 1249 CZ TYR A 80 -2.852 -3.377 -4.064 1.00 0.00 C ATOM 1250 OH TYR A 80 -4.149 -3.068 -3.722 1.00 0.00 O ATOM 0 H TYR A 80 1.435 -6.974 -4.355 1.00 0.00 H new ATOM 0 HA TYR A 80 0.685 -5.546 -6.839 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.785 -4.447 -4.223 1.00 0.00 H new ATOM 0 HB3 TYR A 80 1.619 -3.515 -5.698 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.676 -3.022 -6.603 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -0.127 -4.905 -2.819 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -2.989 -2.466 -5.992 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -2.441 -4.356 -2.209 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.339 -3.404 -2.821 1.00 0.00 H new ATOM 1260 N MET A 81 2.994 -5.627 -7.709 1.00 0.00 N ATOM 1261 CA MET A 81 4.331 -5.770 -8.274 1.00 0.00 C ATOM 1262 C MET A 81 4.612 -4.670 -9.292 1.00 0.00 C ATOM 1263 O MET A 81 3.730 -3.877 -9.624 1.00 0.00 O ATOM 1264 CB MET A 81 4.484 -7.142 -8.933 1.00 0.00 C ATOM 1265 CG MET A 81 3.886 -7.216 -10.329 1.00 0.00 C ATOM 1266 SD MET A 81 4.402 -8.690 -11.229 1.00 0.00 S ATOM 1267 CE MET A 81 3.168 -9.869 -10.686 1.00 0.00 C ATOM 0 H MET A 81 2.273 -5.380 -8.387 1.00 0.00 H new ATOM 0 HA MET A 81 5.053 -5.682 -7.462 1.00 0.00 H new ATOM 0 HB2 MET A 81 5.543 -7.394 -8.987 1.00 0.00 H new ATOM 0 HB3 MET A 81 4.009 -7.894 -8.303 1.00 0.00 H new ATOM 0 HG2 MET A 81 2.799 -7.202 -10.255 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.178 -6.330 -10.893 1.00 0.00 H new ATOM 0 HE1 MET A 81 3.626 -10.589 -10.007 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.365 -9.343 -10.169 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.761 -10.394 -11.550 1.00 0.00 H new ATOM 1277 N LEU A 82 5.846 -4.625 -9.783 1.00 0.00 N ATOM 1278 CA LEU A 82 6.244 -3.621 -10.763 1.00 0.00 C ATOM 1279 C LEU A 82 5.293 -3.618 -11.956 1.00 0.00 C ATOM 1280 O LEU A 82 4.886 -4.673 -12.441 1.00 0.00 O ATOM 1281 CB LEU A 82 7.674 -3.882 -11.238 1.00 0.00 C ATOM 1282 CG LEU A 82 8.786 -3.271 -10.384 1.00 0.00 C ATOM 1283 CD1 LEU A 82 10.131 -3.885 -10.741 1.00 0.00 C ATOM 1284 CD2 LEU A 82 8.824 -1.760 -10.560 1.00 0.00 C ATOM 0 H LEU A 82 6.588 -5.273 -9.518 1.00 0.00 H new ATOM 0 HA LEU A 82 6.200 -2.643 -10.283 1.00 0.00 H new ATOM 0 HB2 LEU A 82 7.829 -4.960 -11.284 1.00 0.00 H new ATOM 0 HB3 LEU A 82 7.773 -3.502 -12.255 1.00 0.00 H new ATOM 0 HG LEU A 82 8.576 -3.490 -9.337 1.00 0.00 H new ATOM 0 HD11 LEU A 82 10.910 -3.438 -10.124 1.00 0.00 H new ATOM 0 HD12 LEU A 82 10.099 -4.960 -10.563 1.00 0.00 H new ATOM 0 HD13 LEU A 82 10.349 -3.697 -11.792 1.00 0.00 H new ATOM 0 HD21 LEU A 82 9.621 -1.342 -9.945 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.010 -1.520 -11.607 1.00 0.00 H new ATOM 0 HD23 LEU A 82 7.868 -1.334 -10.254 1.00 0.00 H new ATOM 1296 N TYR A 83 4.944 -2.424 -12.424 1.00 0.00 N ATOM 1297 CA TYR A 83 4.041 -2.283 -13.560 1.00 0.00 C ATOM 1298 C TYR A 83 4.707 -2.760 -14.848 1.00 0.00 C ATOM 1299 O TYR A 83 4.034 -3.181 -15.788 1.00 0.00 O ATOM 1300 CB TYR A 83 3.600 -0.826 -13.710 1.00 0.00 C ATOM 1301 CG TYR A 83 2.582 -0.612 -14.807 1.00 0.00 C ATOM 1302 CD1 TYR A 83 1.376 -1.300 -14.807 1.00 0.00 C ATOM 1303 CD2 TYR A 83 2.827 0.281 -15.844 1.00 0.00 C ATOM 1304 CE1 TYR A 83 0.443 -1.108 -15.808 1.00 0.00 C ATOM 1305 CE2 TYR A 83 1.900 0.481 -16.848 1.00 0.00 C ATOM 1306 CZ TYR A 83 0.710 -0.216 -16.826 1.00 0.00 C ATOM 1307 OH TYR A 83 -0.217 -0.020 -17.825 1.00 0.00 O ATOM 0 H TYR A 83 5.273 -1.541 -12.034 1.00 0.00 H new ATOM 0 HA TYR A 83 3.164 -2.904 -13.374 1.00 0.00 H new ATOM 0 HB2 TYR A 83 3.180 -0.483 -12.764 1.00 0.00 H new ATOM 0 HB3 TYR A 83 4.475 -0.209 -13.913 1.00 0.00 H new ATOM 0 HD1 TYR A 83 1.163 -1.998 -14.010 1.00 0.00 H new ATOM 0 HD2 TYR A 83 3.758 0.828 -15.865 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -0.489 -1.653 -15.794 1.00 0.00 H new ATOM 0 HE2 TYR A 83 2.106 1.179 -17.646 1.00 0.00 H new ATOM 0 HH TYR A 83 0.125 0.640 -18.463 1.00 0.00 H new ATOM 1317 N ASN A 84 6.034 -2.690 -14.881 1.00 0.00 N ATOM 1318 CA ASN A 84 6.792 -3.114 -16.053 1.00 0.00 C ATOM 1319 C ASN A 84 6.669 -4.619 -16.264 1.00 0.00 C ATOM 1320 O ASN A 84 6.555 -5.091 -17.397 1.00 0.00 O ATOM 1321 CB ASN A 84 8.264 -2.727 -15.900 1.00 0.00 C ATOM 1322 CG ASN A 84 9.073 -3.024 -17.148 1.00 0.00 C ATOM 1323 OD1 ASN A 84 9.715 -4.069 -17.251 1.00 0.00 O ATOM 1324 ND2 ASN A 84 9.044 -2.103 -18.104 1.00 0.00 N ATOM 0 H ASN A 84 6.606 -2.344 -14.111 1.00 0.00 H new ATOM 0 HA ASN A 84 6.379 -2.608 -16.926 1.00 0.00 H new ATOM 0 HB2 ASN A 84 8.335 -1.664 -15.669 1.00 0.00 H new ATOM 0 HB3 ASN A 84 8.693 -3.267 -15.055 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.568 -2.247 -18.967 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.498 -1.251 -17.975 1.00 0.00 H new