USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 587 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 22 ASN :FLIP amide:sc= -1.66 F(o=-5.1!,f=-1.7) USER MOD Single : A 25 GLN : amide:sc= -2.91! C(o=-2.9!,f=-4.6!) USER MOD Single : A 27 LYS NZ :NH3+ 156:sc= -0.141 (180deg=-0.724) USER MOD Single : A 31 THR OG1 : rot 90:sc= 1.28 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -165:sc= 0 (180deg=-0.539) USER MOD Single : A 41 GLN : amide:sc= -3.84! C(o=-3.8!,f=-6.6!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 144:sc= 0.839 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.117) USER MOD Single : A 52 SER OG : rot 180:sc= -1.96 USER MOD Single : A 55 SER OG : rot 180:sc= -2.34! USER MOD Single : A 58 MET CE :methyl 178:sc= 0 (180deg=-0.00847) USER MOD Single : A 59 LYS NZ :NH3+ 151:sc= -0.213 (180deg=-1.12) USER MOD Single : A 63 HIS : no HD1:sc= -0.424 X(o=-0.42,f=-0.3) USER MOD Single : A 71 GLN : amide:sc= -10.3! C(o=-10!,f=-11!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -3.43! C(o=-3.4!,f=-12!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN :FLIP amide:sc= -6.75! C(o=-7.7!,f=-6.7!) USER MOD Single : A 93 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.18) USER MOD Single : A 95 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.068) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 275 N ASN A 22 3.363 -18.609 1.025 1.00 0.00 N ATOM 276 CA ASN A 22 4.017 -18.365 -0.292 1.00 0.00 C ATOM 277 C ASN A 22 3.130 -17.451 -1.162 1.00 0.00 C ATOM 278 O ASN A 22 3.453 -16.309 -1.404 1.00 0.00 O ATOM 279 CB ASN A 22 4.263 -19.734 -0.995 1.00 0.00 C ATOM 280 CG ASN A 22 5.653 -19.785 -1.630 1.00 0.00 C ATOM 281 OD1 ASN A 22 5.915 -19.032 -2.652 1.00 0.00 O flip ATOM 282 ND2 ASN A 22 6.510 -20.520 -1.182 1.00 0.00 N flip ATOM 0 HA ASN A 22 4.973 -17.863 -0.145 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.161 -20.542 -0.270 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.504 -19.895 -1.761 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.304 -21.113 -0.378 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.436 -20.545 -1.610 1.00 0.00 H new ATOM 289 N ALA A 23 2.029 -17.949 -1.638 1.00 0.00 N ATOM 290 CA ALA A 23 1.132 -17.134 -2.515 1.00 0.00 C ATOM 291 C ALA A 23 0.223 -16.218 -1.694 1.00 0.00 C ATOM 292 O ALA A 23 -0.148 -15.148 -2.133 1.00 0.00 O ATOM 293 CB ALA A 23 0.268 -18.074 -3.357 1.00 0.00 C ATOM 0 H ALA A 23 1.702 -18.898 -1.458 1.00 0.00 H new ATOM 0 HA ALA A 23 1.756 -16.509 -3.153 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.389 -17.487 -3.999 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.910 -18.704 -3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.334 -18.702 -2.700 1.00 0.00 H new ATOM 299 N ALA A 24 -0.155 -16.624 -0.518 1.00 0.00 N ATOM 300 CA ALA A 24 -1.060 -15.765 0.300 1.00 0.00 C ATOM 301 C ALA A 24 -0.335 -14.477 0.683 1.00 0.00 C ATOM 302 O ALA A 24 -0.808 -13.386 0.433 1.00 0.00 O ATOM 303 CB ALA A 24 -1.467 -16.515 1.572 1.00 0.00 C ATOM 0 H ALA A 24 0.119 -17.507 -0.087 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.950 -15.523 -0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.128 -15.887 2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.986 -17.434 1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.577 -16.758 2.152 1.00 0.00 H new ATOM 309 N GLN A 25 0.805 -14.601 1.293 1.00 0.00 N ATOM 310 CA GLN A 25 1.578 -13.400 1.706 1.00 0.00 C ATOM 311 C GLN A 25 1.902 -12.536 0.480 1.00 0.00 C ATOM 312 O GLN A 25 2.299 -11.394 0.601 1.00 0.00 O ATOM 313 CB GLN A 25 2.869 -13.875 2.405 1.00 0.00 C ATOM 314 CG GLN A 25 4.006 -14.099 1.393 1.00 0.00 C ATOM 315 CD GLN A 25 4.685 -12.769 1.060 1.00 0.00 C ATOM 316 OE1 GLN A 25 4.751 -11.884 1.889 1.00 0.00 O ATOM 317 NE2 GLN A 25 5.196 -12.592 -0.127 1.00 0.00 N ATOM 0 H GLN A 25 1.241 -15.493 1.527 1.00 0.00 H new ATOM 0 HA GLN A 25 0.995 -12.789 2.395 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.178 -13.135 3.144 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.673 -14.801 2.945 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.736 -14.796 1.804 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.610 -14.551 0.484 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.140 -13.336 -0.822 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.652 -11.710 -0.360 1.00 0.00 H new ATOM 326 N VAL A 26 1.770 -13.085 -0.693 1.00 0.00 N ATOM 327 CA VAL A 26 2.109 -12.309 -1.915 1.00 0.00 C ATOM 328 C VAL A 26 1.085 -11.192 -2.138 1.00 0.00 C ATOM 329 O VAL A 26 1.422 -10.032 -2.153 1.00 0.00 O ATOM 330 CB VAL A 26 2.191 -13.300 -3.123 1.00 0.00 C ATOM 331 CG1 VAL A 26 1.048 -13.132 -4.147 1.00 0.00 C ATOM 332 CG2 VAL A 26 3.529 -13.135 -3.861 1.00 0.00 C ATOM 0 H VAL A 26 1.442 -14.037 -0.858 1.00 0.00 H new ATOM 0 HA VAL A 26 3.077 -11.820 -1.805 1.00 0.00 H new ATOM 0 HB VAL A 26 2.100 -14.295 -2.688 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.174 -13.853 -4.954 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.090 -13.302 -3.655 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.071 -12.122 -4.556 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.571 -13.831 -4.699 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.616 -12.114 -4.233 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.351 -13.342 -3.175 1.00 0.00 H new ATOM 342 N LYS A 27 -0.149 -11.526 -2.336 1.00 0.00 N ATOM 343 CA LYS A 27 -1.168 -10.466 -2.594 1.00 0.00 C ATOM 344 C LYS A 27 -1.438 -9.648 -1.327 1.00 0.00 C ATOM 345 O LYS A 27 -1.748 -8.476 -1.396 1.00 0.00 O ATOM 346 CB LYS A 27 -2.467 -11.119 -3.086 1.00 0.00 C ATOM 347 CG LYS A 27 -3.150 -11.892 -1.940 1.00 0.00 C ATOM 348 CD LYS A 27 -4.026 -13.010 -2.521 1.00 0.00 C ATOM 349 CE LYS A 27 -4.885 -13.631 -1.416 1.00 0.00 C ATOM 350 NZ LYS A 27 -5.823 -12.608 -0.875 1.00 0.00 N ATOM 0 H LYS A 27 -0.504 -12.482 -2.332 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.786 -9.789 -3.358 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.142 -10.355 -3.470 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.250 -11.797 -3.911 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.397 -12.315 -1.275 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.759 -11.213 -1.342 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.665 -12.610 -3.308 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.398 -13.775 -2.978 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.445 -14.479 -1.810 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.248 -14.013 -0.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.646 -13.082 -0.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.338 -12.041 -0.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.141 -11.987 -1.646 1.00 0.00 H new ATOM 364 N ASP A 28 -1.332 -10.248 -0.176 1.00 0.00 N ATOM 365 CA ASP A 28 -1.597 -9.489 1.083 1.00 0.00 C ATOM 366 C ASP A 28 -0.656 -8.282 1.189 1.00 0.00 C ATOM 367 O ASP A 28 -1.088 -7.164 1.378 1.00 0.00 O ATOM 368 CB ASP A 28 -1.382 -10.403 2.291 1.00 0.00 C ATOM 369 CG ASP A 28 -1.871 -9.693 3.556 1.00 0.00 C ATOM 370 OD1 ASP A 28 -2.988 -9.202 3.540 1.00 0.00 O ATOM 371 OD2 ASP A 28 -1.122 -9.651 4.516 1.00 0.00 O ATOM 0 H ASP A 28 -1.075 -11.227 -0.049 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.628 -9.136 1.065 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.923 -11.339 2.154 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.326 -10.656 2.387 1.00 0.00 H new ATOM 376 N ALA A 29 0.626 -8.504 1.078 1.00 0.00 N ATOM 377 CA ALA A 29 1.597 -7.382 1.185 1.00 0.00 C ATOM 378 C ALA A 29 1.356 -6.394 0.063 1.00 0.00 C ATOM 379 O ALA A 29 1.335 -5.197 0.265 1.00 0.00 O ATOM 380 CB ALA A 29 3.020 -7.940 1.092 1.00 0.00 C ATOM 0 H ALA A 29 1.043 -9.421 0.917 1.00 0.00 H new ATOM 0 HA ALA A 29 1.469 -6.872 2.140 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.737 -7.123 1.170 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.187 -8.648 1.904 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.150 -8.447 0.136 1.00 0.00 H new ATOM 386 N LEU A 30 1.185 -6.868 -1.125 1.00 0.00 N ATOM 387 CA LEU A 30 0.956 -5.934 -2.235 1.00 0.00 C ATOM 388 C LEU A 30 -0.307 -5.114 -1.955 1.00 0.00 C ATOM 389 O LEU A 30 -0.254 -3.904 -1.852 1.00 0.00 O ATOM 390 CB LEU A 30 0.848 -6.738 -3.527 1.00 0.00 C ATOM 391 CG LEU A 30 2.141 -7.553 -3.709 1.00 0.00 C ATOM 392 CD1 LEU A 30 1.971 -8.556 -4.854 1.00 0.00 C ATOM 393 CD2 LEU A 30 3.322 -6.619 -4.021 1.00 0.00 C ATOM 0 H LEU A 30 1.194 -7.857 -1.373 1.00 0.00 H new ATOM 0 HA LEU A 30 1.783 -5.232 -2.338 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.015 -7.402 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.699 -6.071 -4.376 1.00 0.00 H new ATOM 0 HG LEU A 30 2.345 -8.090 -2.782 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.891 -9.128 -4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.149 -9.234 -4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 30 1.752 -8.020 -5.778 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.229 -7.210 -4.147 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.117 -6.068 -4.939 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.458 -5.917 -3.199 1.00 0.00 H new ATOM 405 N THR A 31 -1.437 -5.748 -1.817 1.00 0.00 N ATOM 406 CA THR A 31 -2.685 -4.979 -1.537 1.00 0.00 C ATOM 407 C THR A 31 -2.559 -4.226 -0.199 1.00 0.00 C ATOM 408 O THR A 31 -3.265 -3.272 0.049 1.00 0.00 O ATOM 409 CB THR A 31 -3.884 -5.933 -1.474 1.00 0.00 C ATOM 410 OG1 THR A 31 -3.701 -6.988 -2.408 1.00 0.00 O ATOM 411 CG2 THR A 31 -5.175 -5.176 -1.803 1.00 0.00 C ATOM 0 H THR A 31 -1.553 -6.759 -1.885 1.00 0.00 H new ATOM 0 HA THR A 31 -2.836 -4.258 -2.340 1.00 0.00 H new ATOM 0 HB THR A 31 -3.959 -6.345 -0.468 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.225 -7.728 -1.976 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.021 -5.862 -1.756 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.319 -4.372 -1.082 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.105 -4.755 -2.806 1.00 0.00 H new ATOM 419 N LYS A 32 -1.685 -4.643 0.677 1.00 0.00 N ATOM 420 CA LYS A 32 -1.572 -3.919 1.976 1.00 0.00 C ATOM 421 C LYS A 32 -1.201 -2.471 1.682 1.00 0.00 C ATOM 422 O LYS A 32 -1.854 -1.546 2.127 1.00 0.00 O ATOM 423 CB LYS A 32 -0.492 -4.566 2.859 1.00 0.00 C ATOM 424 CG LYS A 32 -0.296 -3.753 4.168 1.00 0.00 C ATOM 425 CD LYS A 32 0.935 -2.835 4.058 1.00 0.00 C ATOM 426 CE LYS A 32 1.147 -2.092 5.382 1.00 0.00 C ATOM 427 NZ LYS A 32 1.849 -2.984 6.346 1.00 0.00 N ATOM 0 H LYS A 32 -1.056 -5.437 0.554 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.521 -3.967 2.510 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.777 -5.590 3.100 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.450 -4.618 2.312 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.185 -3.155 4.367 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.174 -4.434 5.010 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.819 -3.424 3.815 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.796 -2.120 3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.732 -1.188 5.214 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.187 -1.779 5.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.993 -2.480 7.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.274 -3.834 6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.771 -3.262 5.954 1.00 0.00 H new ATOM 441 N MET A 33 -0.155 -2.262 0.933 1.00 0.00 N ATOM 442 CA MET A 33 0.254 -0.865 0.605 1.00 0.00 C ATOM 443 C MET A 33 -0.888 -0.157 -0.134 1.00 0.00 C ATOM 444 O MET A 33 -1.083 1.034 0.006 1.00 0.00 O ATOM 445 CB MET A 33 1.500 -0.885 -0.295 1.00 0.00 C ATOM 446 CG MET A 33 2.665 -1.580 0.424 1.00 0.00 C ATOM 447 SD MET A 33 4.235 -0.959 -0.230 1.00 0.00 S ATOM 448 CE MET A 33 4.054 -1.597 -1.915 1.00 0.00 C ATOM 0 H MET A 33 0.433 -2.994 0.534 1.00 0.00 H new ATOM 0 HA MET A 33 0.481 -0.333 1.529 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.276 -1.405 -1.226 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.783 0.134 -0.559 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.607 -1.395 1.497 1.00 0.00 H new ATOM 0 HG3 MET A 33 2.601 -2.659 0.283 1.00 0.00 H new ATOM 0 HE1 MET A 33 5.018 -1.563 -2.423 1.00 0.00 H new ATOM 0 HE2 MET A 33 3.700 -2.627 -1.878 1.00 0.00 H new ATOM 0 HE3 MET A 33 3.335 -0.986 -2.460 1.00 0.00 H new ATOM 458 N ARG A 34 -1.642 -0.876 -0.926 1.00 0.00 N ATOM 459 CA ARG A 34 -2.767 -0.235 -1.676 1.00 0.00 C ATOM 460 C ARG A 34 -3.754 0.406 -0.696 1.00 0.00 C ATOM 461 O ARG A 34 -4.070 1.576 -0.799 1.00 0.00 O ATOM 462 CB ARG A 34 -3.479 -1.301 -2.516 1.00 0.00 C ATOM 463 CG ARG A 34 -4.820 -0.781 -3.040 1.00 0.00 C ATOM 464 CD ARG A 34 -5.260 -1.642 -4.230 1.00 0.00 C ATOM 465 NE ARG A 34 -6.626 -1.240 -4.665 1.00 0.00 N ATOM 466 CZ ARG A 34 -7.665 -1.591 -3.954 1.00 0.00 C ATOM 467 NH1 ARG A 34 -7.503 -2.293 -2.866 1.00 0.00 N ATOM 468 NH2 ARG A 34 -8.866 -1.243 -4.331 1.00 0.00 N ATOM 0 H ARG A 34 -1.529 -1.877 -1.086 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.373 0.543 -2.330 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.845 -1.592 -3.354 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.642 -2.195 -1.914 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.572 -0.817 -2.251 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.726 0.262 -3.344 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.557 -1.526 -5.055 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.253 -2.696 -3.951 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.751 -0.692 -5.516 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.566 -2.567 -2.571 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.313 -2.567 -2.311 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.995 -0.696 -5.182 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.675 -1.518 -3.774 1.00 0.00 H new ATOM 482 N ALA A 35 -4.256 -0.348 0.241 1.00 0.00 N ATOM 483 CA ALA A 35 -5.235 0.228 1.208 1.00 0.00 C ATOM 484 C ALA A 35 -4.594 1.405 1.946 1.00 0.00 C ATOM 485 O ALA A 35 -5.253 2.368 2.282 1.00 0.00 O ATOM 486 CB ALA A 35 -5.644 -0.838 2.222 1.00 0.00 C ATOM 0 H ALA A 35 -4.033 -1.334 0.380 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.115 0.571 0.665 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.359 -0.414 2.927 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.102 -1.679 1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.763 -1.183 2.763 1.00 0.00 H new ATOM 492 N ALA A 36 -3.314 1.342 2.194 1.00 0.00 N ATOM 493 CA ALA A 36 -2.643 2.468 2.898 1.00 0.00 C ATOM 494 C ALA A 36 -2.809 3.745 2.073 1.00 0.00 C ATOM 495 O ALA A 36 -3.143 4.792 2.590 1.00 0.00 O ATOM 496 CB ALA A 36 -1.154 2.160 3.059 1.00 0.00 C ATOM 0 H ALA A 36 -2.707 0.562 1.940 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.092 2.602 3.882 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.665 2.986 3.575 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.032 1.246 3.641 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.702 2.027 2.076 1.00 0.00 H new ATOM 502 N ALA A 37 -2.580 3.665 0.789 1.00 0.00 N ATOM 503 CA ALA A 37 -2.727 4.874 -0.063 1.00 0.00 C ATOM 504 C ALA A 37 -4.171 5.375 0.031 1.00 0.00 C ATOM 505 O ALA A 37 -4.422 6.549 0.223 1.00 0.00 O ATOM 506 CB ALA A 37 -2.383 4.509 -1.519 1.00 0.00 C ATOM 0 H ALA A 37 -2.299 2.817 0.298 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.052 5.660 0.275 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.489 5.391 -2.150 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.356 4.147 -1.570 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.060 3.730 -1.869 1.00 0.00 H new ATOM 512 N LEU A 38 -5.121 4.488 -0.097 1.00 0.00 N ATOM 513 CA LEU A 38 -6.546 4.905 -0.009 1.00 0.00 C ATOM 514 C LEU A 38 -6.851 5.389 1.407 1.00 0.00 C ATOM 515 O LEU A 38 -7.351 6.471 1.606 1.00 0.00 O ATOM 516 CB LEU A 38 -7.451 3.717 -0.349 1.00 0.00 C ATOM 517 CG LEU A 38 -7.189 3.258 -1.793 1.00 0.00 C ATOM 518 CD1 LEU A 38 -7.919 1.934 -2.050 1.00 0.00 C ATOM 519 CD2 LEU A 38 -7.690 4.320 -2.787 1.00 0.00 C ATOM 0 H LEU A 38 -4.969 3.492 -0.259 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.729 5.714 -0.716 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.264 2.896 0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.497 4.000 -0.232 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.117 3.120 -1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.733 1.609 -3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.554 1.177 -1.357 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.990 2.074 -1.903 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.499 3.984 -3.806 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.761 4.471 -2.649 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.166 5.259 -2.611 1.00 0.00 H new ATOM 531 N ASP A 39 -6.554 4.603 2.397 1.00 0.00 N ATOM 532 CA ASP A 39 -6.841 5.046 3.790 1.00 0.00 C ATOM 533 C ASP A 39 -6.094 6.354 4.059 1.00 0.00 C ATOM 534 O ASP A 39 -6.539 7.196 4.811 1.00 0.00 O ATOM 535 CB ASP A 39 -6.378 3.971 4.785 1.00 0.00 C ATOM 536 CG ASP A 39 -7.149 4.112 6.101 1.00 0.00 C ATOM 537 OD1 ASP A 39 -8.294 3.692 6.142 1.00 0.00 O ATOM 538 OD2 ASP A 39 -6.582 4.642 7.043 1.00 0.00 O ATOM 0 H ASP A 39 -6.129 3.680 2.308 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.913 5.201 3.912 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.540 2.979 4.363 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.308 4.069 4.968 1.00 0.00 H new ATOM 543 N ALA A 40 -4.956 6.525 3.451 1.00 0.00 N ATOM 544 CA ALA A 40 -4.184 7.770 3.665 1.00 0.00 C ATOM 545 C ALA A 40 -4.873 8.931 2.941 1.00 0.00 C ATOM 546 O ALA A 40 -4.607 10.087 3.201 1.00 0.00 O ATOM 547 CB ALA A 40 -2.766 7.594 3.116 1.00 0.00 C ATOM 0 H ALA A 40 -4.529 5.853 2.814 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.135 7.987 4.732 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.198 8.511 3.274 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.275 6.770 3.633 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.813 7.376 2.049 1.00 0.00 H new ATOM 553 N GLN A 41 -5.741 8.624 2.012 1.00 0.00 N ATOM 554 CA GLN A 41 -6.434 9.688 1.247 1.00 0.00 C ATOM 555 C GLN A 41 -7.415 10.432 2.153 1.00 0.00 C ATOM 556 O GLN A 41 -7.229 10.544 3.349 1.00 0.00 O ATOM 557 CB GLN A 41 -7.153 9.042 0.034 1.00 0.00 C ATOM 558 CG GLN A 41 -8.579 8.529 0.393 1.00 0.00 C ATOM 559 CD GLN A 41 -8.883 7.233 -0.368 1.00 0.00 C ATOM 560 OE1 GLN A 41 -8.465 7.064 -1.496 1.00 0.00 O ATOM 561 NE2 GLN A 41 -9.602 6.309 0.207 1.00 0.00 N ATOM 0 H GLN A 41 -5.998 7.671 1.753 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.714 10.419 0.878 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.225 9.771 -0.773 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.554 8.211 -0.339 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.651 8.354 1.467 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.320 9.288 0.143 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.953 6.451 1.154 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.813 5.444 -0.291 1.00 0.00 H new ATOM 570 N LYS A 42 -8.460 10.923 1.576 1.00 0.00 N ATOM 571 CA LYS A 42 -9.495 11.657 2.358 1.00 0.00 C ATOM 572 C LYS A 42 -10.227 10.655 3.256 1.00 0.00 C ATOM 573 O LYS A 42 -11.437 10.546 3.236 1.00 0.00 O ATOM 574 CB LYS A 42 -10.487 12.337 1.390 1.00 0.00 C ATOM 575 CG LYS A 42 -9.788 12.616 0.057 1.00 0.00 C ATOM 576 CD LYS A 42 -10.606 13.619 -0.755 1.00 0.00 C ATOM 577 CE LYS A 42 -12.013 13.065 -0.996 1.00 0.00 C ATOM 578 NZ LYS A 42 -12.658 13.825 -2.105 1.00 0.00 N ATOM 0 H LYS A 42 -8.652 10.850 0.577 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.031 12.427 2.974 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.354 11.696 1.231 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.854 13.268 1.823 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.787 13.009 0.236 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.671 11.689 -0.504 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.665 14.569 -0.224 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -10.115 13.817 -1.708 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.961 12.006 -1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.610 13.148 -0.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.614 13.451 -2.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.719 14.831 -1.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.091 13.724 -2.971 1.00 0.00 H new ATOM 592 N ALA A 43 -9.487 9.918 4.039 1.00 0.00 N ATOM 593 CA ALA A 43 -10.111 8.899 4.948 1.00 0.00 C ATOM 594 C ALA A 43 -9.459 9.004 6.325 1.00 0.00 C ATOM 595 O ALA A 43 -10.121 9.150 7.333 1.00 0.00 O ATOM 596 CB ALA A 43 -9.871 7.504 4.372 1.00 0.00 C ATOM 0 H ALA A 43 -8.470 9.974 4.092 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.183 9.076 5.035 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.321 6.758 5.027 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.321 7.437 3.382 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.799 7.321 4.296 1.00 0.00 H new ATOM 602 N THR A 44 -8.159 8.958 6.366 1.00 0.00 N ATOM 603 CA THR A 44 -7.422 9.083 7.647 1.00 0.00 C ATOM 604 C THR A 44 -6.192 9.939 7.361 1.00 0.00 C ATOM 605 O THR A 44 -5.070 9.503 7.525 1.00 0.00 O ATOM 606 CB THR A 44 -6.989 7.696 8.133 1.00 0.00 C ATOM 607 OG1 THR A 44 -8.091 6.801 8.049 1.00 0.00 O ATOM 608 CG2 THR A 44 -6.513 7.786 9.584 1.00 0.00 C ATOM 0 H THR A 44 -7.565 8.836 5.546 1.00 0.00 H new ATOM 0 HA THR A 44 -8.045 9.534 8.419 1.00 0.00 H new ATOM 0 HB THR A 44 -6.174 7.330 7.508 1.00 0.00 H new ATOM 0 HG1 THR A 44 -7.771 5.911 7.794 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.205 6.798 9.928 1.00 0.00 H new ATOM 0 HG22 THR A 44 -5.668 8.472 9.648 1.00 0.00 H new ATOM 0 HG23 THR A 44 -7.326 8.152 10.211 1.00 0.00 H new ATOM 616 N PRO A 45 -6.414 11.159 6.930 1.00 0.00 N ATOM 617 CA PRO A 45 -5.327 12.113 6.596 1.00 0.00 C ATOM 618 C PRO A 45 -4.115 11.982 7.539 1.00 0.00 C ATOM 619 O PRO A 45 -4.112 12.534 8.620 1.00 0.00 O ATOM 620 CB PRO A 45 -6.004 13.471 6.781 1.00 0.00 C ATOM 621 CG PRO A 45 -7.424 13.241 6.370 1.00 0.00 C ATOM 622 CD PRO A 45 -7.744 11.774 6.716 1.00 0.00 C ATOM 0 HA PRO A 45 -4.922 11.946 5.598 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -5.940 13.809 7.815 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.532 14.237 6.166 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -8.095 13.920 6.896 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.555 13.426 5.304 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.366 11.701 7.608 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.286 11.282 5.908 1.00 0.00 H new ATOM 630 N PRO A 46 -3.088 11.259 7.142 1.00 0.00 N ATOM 631 CA PRO A 46 -1.873 11.079 7.992 1.00 0.00 C ATOM 632 C PRO A 46 -1.151 12.414 8.213 1.00 0.00 C ATOM 633 O PRO A 46 -1.002 12.878 9.326 1.00 0.00 O ATOM 634 CB PRO A 46 -0.991 10.085 7.198 1.00 0.00 C ATOM 635 CG PRO A 46 -1.884 9.497 6.144 1.00 0.00 C ATOM 636 CD PRO A 46 -2.961 10.542 5.864 1.00 0.00 C ATOM 0 HA PRO A 46 -2.114 10.708 8.988 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -0.137 10.593 6.749 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -0.593 9.308 7.851 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.320 9.268 5.240 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.328 8.563 6.488 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.669 11.212 5.056 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.902 10.078 5.569 1.00 0.00 H new ATOM 644 N LYS A 47 -0.716 13.038 7.153 1.00 0.00 N ATOM 645 CA LYS A 47 -0.018 14.351 7.276 1.00 0.00 C ATOM 646 C LYS A 47 -0.389 15.218 6.073 1.00 0.00 C ATOM 647 O LYS A 47 0.175 16.272 5.857 1.00 0.00 O ATOM 648 CB LYS A 47 1.501 14.135 7.313 1.00 0.00 C ATOM 649 CG LYS A 47 1.919 13.171 6.194 1.00 0.00 C ATOM 650 CD LYS A 47 3.457 13.099 6.100 1.00 0.00 C ATOM 651 CE LYS A 47 3.996 14.246 5.235 1.00 0.00 C ATOM 652 NZ LYS A 47 5.464 14.076 5.052 1.00 0.00 N ATOM 0 H LYS A 47 -0.815 12.692 6.199 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.323 14.846 8.198 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.016 15.089 7.195 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.796 13.732 8.282 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.512 12.179 6.388 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.504 13.505 5.243 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.891 13.153 7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.757 12.142 5.673 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.496 14.253 4.267 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.786 15.205 5.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.833 14.852 4.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.933 14.090 5.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 5.652 13.168 4.582 1.00 0.00 H new ATOM 666 N LEU A 48 -1.339 14.779 5.286 1.00 0.00 N ATOM 667 CA LEU A 48 -1.753 15.572 4.095 1.00 0.00 C ATOM 668 C LEU A 48 -2.694 16.691 4.512 1.00 0.00 C ATOM 669 O LEU A 48 -3.108 17.505 3.710 1.00 0.00 O ATOM 670 CB LEU A 48 -2.462 14.666 3.092 1.00 0.00 C ATOM 671 CG LEU A 48 -1.503 13.573 2.595 1.00 0.00 C ATOM 672 CD1 LEU A 48 -2.312 12.454 1.932 1.00 0.00 C ATOM 673 CD2 LEU A 48 -0.513 14.155 1.573 1.00 0.00 C ATOM 0 H LEU A 48 -1.845 13.903 5.420 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.864 16.003 3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.336 14.210 3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.821 15.256 2.249 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.945 13.179 3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.635 11.676 1.578 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.006 12.028 2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.871 12.860 1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.160 13.369 1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.063 14.559 0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.067 14.951 2.041 1.00 0.00 H new ATOM 685 N GLU A 49 -3.032 16.743 5.759 1.00 0.00 N ATOM 686 CA GLU A 49 -3.944 17.806 6.246 1.00 0.00 C ATOM 687 C GLU A 49 -3.101 19.026 6.586 1.00 0.00 C ATOM 688 O GLU A 49 -3.596 20.118 6.777 1.00 0.00 O ATOM 689 CB GLU A 49 -4.670 17.269 7.481 1.00 0.00 C ATOM 690 CG GLU A 49 -5.238 18.415 8.340 1.00 0.00 C ATOM 691 CD GLU A 49 -4.160 18.939 9.297 1.00 0.00 C ATOM 692 OE1 GLU A 49 -3.017 18.542 9.150 1.00 0.00 O ATOM 693 OE2 GLU A 49 -4.501 19.729 10.164 1.00 0.00 O ATOM 0 H GLU A 49 -2.713 16.088 6.473 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.684 18.089 5.498 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -5.480 16.609 7.171 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.982 16.671 8.078 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.589 19.223 7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.099 18.062 8.908 1.00 0.00 H new ATOM 700 N ASP A 50 -1.824 18.834 6.632 1.00 0.00 N ATOM 701 CA ASP A 50 -0.902 19.957 6.920 1.00 0.00 C ATOM 702 C ASP A 50 -0.861 20.855 5.688 1.00 0.00 C ATOM 703 O ASP A 50 -0.062 21.763 5.591 1.00 0.00 O ATOM 704 CB ASP A 50 0.489 19.382 7.187 1.00 0.00 C ATOM 705 CG ASP A 50 0.603 18.935 8.648 1.00 0.00 C ATOM 706 OD1 ASP A 50 -0.059 17.976 9.006 1.00 0.00 O ATOM 707 OD2 ASP A 50 1.352 19.560 9.381 1.00 0.00 O ATOM 0 H ASP A 50 -1.370 17.933 6.480 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.232 20.529 7.788 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.675 18.537 6.524 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.249 20.132 6.968 1.00 0.00 H new ATOM 712 N LYS A 51 -1.703 20.573 4.730 1.00 0.00 N ATOM 713 CA LYS A 51 -1.709 21.362 3.468 1.00 0.00 C ATOM 714 C LYS A 51 -3.137 21.483 2.926 1.00 0.00 C ATOM 715 O LYS A 51 -3.544 22.541 2.490 1.00 0.00 O ATOM 716 CB LYS A 51 -0.837 20.618 2.441 1.00 0.00 C ATOM 717 CG LYS A 51 0.631 21.036 2.583 1.00 0.00 C ATOM 718 CD LYS A 51 1.516 20.049 1.822 1.00 0.00 C ATOM 719 CE LYS A 51 2.983 20.430 2.017 1.00 0.00 C ATOM 720 NZ LYS A 51 3.284 21.659 1.229 1.00 0.00 N ATOM 0 H LYS A 51 -2.393 19.822 4.770 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.322 22.364 3.654 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -0.931 19.542 2.587 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.187 20.835 1.432 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.773 22.044 2.193 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.914 21.059 3.635 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.341 19.035 2.181 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.264 20.060 0.762 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.188 20.603 3.074 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.628 19.612 1.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.313 21.805 1.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 2.916 21.550 0.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.833 22.480 1.681 1.00 0.00 H new ATOM 734 N SER A 52 -3.900 20.425 2.920 1.00 0.00 N ATOM 735 CA SER A 52 -5.269 20.551 2.364 1.00 0.00 C ATOM 736 C SER A 52 -5.107 20.956 0.897 1.00 0.00 C ATOM 737 O SER A 52 -4.004 20.980 0.394 1.00 0.00 O ATOM 738 CB SER A 52 -6.010 21.629 3.171 1.00 0.00 C ATOM 739 OG SER A 52 -7.350 21.218 3.406 1.00 0.00 O ATOM 0 H SER A 52 -3.641 19.502 3.268 1.00 0.00 H new ATOM 0 HA SER A 52 -5.843 19.626 2.425 1.00 0.00 H new ATOM 0 HB2 SER A 52 -5.501 21.801 4.119 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.000 22.574 2.628 1.00 0.00 H new ATOM 0 HG SER A 52 -7.818 21.907 3.922 1.00 0.00 H new ATOM 745 N PRO A 53 -6.173 21.269 0.216 1.00 0.00 N ATOM 746 CA PRO A 53 -6.115 21.691 -1.219 1.00 0.00 C ATOM 747 C PRO A 53 -5.244 22.945 -1.409 1.00 0.00 C ATOM 748 O PRO A 53 -5.641 23.907 -2.034 1.00 0.00 O ATOM 749 CB PRO A 53 -7.587 21.965 -1.570 1.00 0.00 C ATOM 750 CG PRO A 53 -8.361 21.167 -0.573 1.00 0.00 C ATOM 751 CD PRO A 53 -7.555 21.236 0.713 1.00 0.00 C ATOM 0 HA PRO A 53 -5.660 20.938 -1.862 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -7.822 23.027 -1.498 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -7.816 21.657 -2.590 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -9.361 21.578 -0.432 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.483 20.136 -0.905 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -7.798 22.123 1.298 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.736 20.373 1.353 1.00 0.00 H new ATOM 759 N ASP A 54 -4.053 22.920 -0.864 1.00 0.00 N ATOM 760 CA ASP A 54 -3.112 24.067 -0.976 1.00 0.00 C ATOM 761 C ASP A 54 -1.933 23.643 -1.849 1.00 0.00 C ATOM 762 O ASP A 54 -1.070 22.909 -1.411 1.00 0.00 O ATOM 763 CB ASP A 54 -2.592 24.432 0.424 1.00 0.00 C ATOM 764 CG ASP A 54 -1.511 25.509 0.303 1.00 0.00 C ATOM 765 OD1 ASP A 54 -1.861 26.640 0.005 1.00 0.00 O ATOM 766 OD2 ASP A 54 -0.354 25.186 0.514 1.00 0.00 O ATOM 0 H ASP A 54 -3.689 22.129 -0.333 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.618 24.927 -1.415 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.412 24.793 1.045 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.186 23.547 0.915 1.00 0.00 H new ATOM 771 N SER A 55 -1.887 24.099 -3.078 1.00 0.00 N ATOM 772 CA SER A 55 -0.753 23.738 -3.992 1.00 0.00 C ATOM 773 C SER A 55 -1.015 22.338 -4.601 1.00 0.00 C ATOM 774 O SER A 55 -2.077 21.781 -4.405 1.00 0.00 O ATOM 775 CB SER A 55 0.574 23.785 -3.205 1.00 0.00 C ATOM 776 OG SER A 55 1.586 24.369 -4.011 1.00 0.00 O ATOM 0 H SER A 55 -2.591 24.710 -3.491 1.00 0.00 H new ATOM 0 HA SER A 55 -0.679 24.453 -4.812 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.445 24.363 -2.290 1.00 0.00 H new ATOM 0 HB3 SER A 55 0.868 22.778 -2.908 1.00 0.00 H new ATOM 0 HG SER A 55 2.427 24.399 -3.509 1.00 0.00 H new ATOM 782 N PRO A 56 -0.076 21.764 -5.341 1.00 0.00 N ATOM 783 CA PRO A 56 -0.267 20.411 -5.973 1.00 0.00 C ATOM 784 C PRO A 56 -0.696 19.316 -4.981 1.00 0.00 C ATOM 785 O PRO A 56 -0.698 18.147 -5.313 1.00 0.00 O ATOM 786 CB PRO A 56 1.118 20.083 -6.551 1.00 0.00 C ATOM 787 CG PRO A 56 1.735 21.413 -6.813 1.00 0.00 C ATOM 788 CD PRO A 56 1.253 22.320 -5.684 1.00 0.00 C ATOM 0 HA PRO A 56 -1.070 20.439 -6.710 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.714 19.500 -5.849 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.038 19.495 -7.465 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.823 21.345 -6.824 1.00 0.00 H new ATOM 0 HG3 PRO A 56 1.430 21.802 -7.785 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.931 22.295 -4.831 1.00 0.00 H new ATOM 0 HD3 PRO A 56 1.183 23.359 -6.005 1.00 0.00 H new ATOM 796 N GLU A 57 -1.060 19.675 -3.783 1.00 0.00 N ATOM 797 CA GLU A 57 -1.490 18.637 -2.796 1.00 0.00 C ATOM 798 C GLU A 57 -2.484 17.677 -3.468 1.00 0.00 C ATOM 799 O GLU A 57 -2.406 16.475 -3.311 1.00 0.00 O ATOM 800 CB GLU A 57 -2.159 19.323 -1.587 1.00 0.00 C ATOM 801 CG GLU A 57 -2.901 18.291 -0.724 1.00 0.00 C ATOM 802 CD GLU A 57 -1.988 17.095 -0.445 1.00 0.00 C ATOM 803 OE1 GLU A 57 -1.028 17.268 0.288 1.00 0.00 O ATOM 804 OE2 GLU A 57 -2.262 16.029 -0.971 1.00 0.00 O ATOM 0 H GLU A 57 -1.080 20.636 -3.442 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.622 18.074 -2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.405 19.832 -0.987 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.857 20.085 -1.934 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.215 18.747 0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -3.805 17.959 -1.235 1.00 0.00 H new ATOM 811 N MET A 58 -3.419 18.206 -4.210 1.00 0.00 N ATOM 812 CA MET A 58 -4.430 17.343 -4.894 1.00 0.00 C ATOM 813 C MET A 58 -3.749 16.428 -5.920 1.00 0.00 C ATOM 814 O MET A 58 -4.080 15.265 -6.040 1.00 0.00 O ATOM 815 CB MET A 58 -5.444 18.242 -5.614 1.00 0.00 C ATOM 816 CG MET A 58 -6.611 17.403 -6.147 1.00 0.00 C ATOM 817 SD MET A 58 -7.670 16.892 -4.771 1.00 0.00 S ATOM 818 CE MET A 58 -9.210 16.758 -5.714 1.00 0.00 C ATOM 0 H MET A 58 -3.528 19.207 -4.374 1.00 0.00 H new ATOM 0 HA MET A 58 -4.932 16.724 -4.151 1.00 0.00 H new ATOM 0 HB2 MET A 58 -5.817 19.003 -4.929 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.957 18.765 -6.437 1.00 0.00 H new ATOM 0 HG2 MET A 58 -7.188 17.982 -6.868 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.232 16.526 -6.672 1.00 0.00 H new ATOM 0 HE1 MET A 58 -10.010 16.414 -5.058 1.00 0.00 H new ATOM 0 HE2 MET A 58 -9.472 17.733 -6.124 1.00 0.00 H new ATOM 0 HE3 MET A 58 -9.077 16.046 -6.528 1.00 0.00 H new ATOM 828 N LYS A 59 -2.827 16.948 -6.685 1.00 0.00 N ATOM 829 CA LYS A 59 -2.160 16.116 -7.730 1.00 0.00 C ATOM 830 C LYS A 59 -1.264 15.037 -7.108 1.00 0.00 C ATOM 831 O LYS A 59 -1.432 13.865 -7.382 1.00 0.00 O ATOM 832 CB LYS A 59 -1.326 17.020 -8.633 1.00 0.00 C ATOM 833 CG LYS A 59 -2.162 18.236 -9.045 1.00 0.00 C ATOM 834 CD LYS A 59 -1.335 19.150 -9.965 1.00 0.00 C ATOM 835 CE LYS A 59 -1.508 18.724 -11.427 1.00 0.00 C ATOM 836 NZ LYS A 59 -2.936 18.888 -11.824 1.00 0.00 N ATOM 0 H LYS A 59 -2.506 17.915 -6.632 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.933 15.612 -8.310 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.426 17.344 -8.111 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.002 16.471 -9.517 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.066 17.910 -9.559 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.480 18.787 -8.160 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.651 20.186 -9.840 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -0.282 19.102 -9.687 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.868 19.327 -12.071 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.201 17.686 -11.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.992 19.085 -12.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.458 18.014 -11.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.355 19.679 -11.294 1.00 0.00 H new ATOM 850 N ASP A 60 -0.305 15.399 -6.294 1.00 0.00 N ATOM 851 CA ASP A 60 0.579 14.348 -5.706 1.00 0.00 C ATOM 852 C ASP A 60 -0.289 13.264 -5.081 1.00 0.00 C ATOM 853 O ASP A 60 0.071 12.109 -5.059 1.00 0.00 O ATOM 854 CB ASP A 60 1.501 14.955 -4.639 1.00 0.00 C ATOM 855 CG ASP A 60 0.776 16.096 -3.924 1.00 0.00 C ATOM 856 OD1 ASP A 60 -0.140 15.806 -3.170 1.00 0.00 O ATOM 857 OD2 ASP A 60 1.148 17.236 -4.138 1.00 0.00 O ATOM 0 H ASP A 60 -0.098 16.358 -6.015 1.00 0.00 H new ATOM 0 HA ASP A 60 1.200 13.920 -6.493 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.795 14.190 -3.920 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.416 15.325 -5.102 1.00 0.00 H new ATOM 862 N PHE A 61 -1.448 13.614 -4.608 1.00 0.00 N ATOM 863 CA PHE A 61 -2.332 12.586 -4.036 1.00 0.00 C ATOM 864 C PHE A 61 -2.742 11.710 -5.207 1.00 0.00 C ATOM 865 O PHE A 61 -2.639 10.504 -5.172 1.00 0.00 O ATOM 866 CB PHE A 61 -3.533 13.293 -3.377 1.00 0.00 C ATOM 867 CG PHE A 61 -4.800 12.464 -3.454 1.00 0.00 C ATOM 868 CD1 PHE A 61 -4.752 11.076 -3.283 1.00 0.00 C ATOM 869 CD2 PHE A 61 -6.027 13.098 -3.691 1.00 0.00 C ATOM 870 CE1 PHE A 61 -5.931 10.321 -3.349 1.00 0.00 C ATOM 871 CE2 PHE A 61 -7.202 12.346 -3.756 1.00 0.00 C ATOM 872 CZ PHE A 61 -7.156 10.958 -3.587 1.00 0.00 C ATOM 0 H PHE A 61 -1.815 14.566 -4.596 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.861 11.976 -3.266 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.301 13.502 -2.333 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.699 14.253 -3.865 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.807 10.587 -3.100 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -6.064 14.169 -3.824 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.895 9.250 -3.217 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -8.147 12.836 -3.937 1.00 0.00 H new ATOM 0 HZ PHE A 61 -8.065 10.377 -3.640 1.00 0.00 H new ATOM 882 N ARG A 62 -3.174 12.339 -6.262 1.00 0.00 N ATOM 883 CA ARG A 62 -3.574 11.594 -7.475 1.00 0.00 C ATOM 884 C ARG A 62 -2.346 10.930 -8.109 1.00 0.00 C ATOM 885 O ARG A 62 -2.294 9.726 -8.268 1.00 0.00 O ATOM 886 CB ARG A 62 -4.222 12.566 -8.468 1.00 0.00 C ATOM 887 CG ARG A 62 -5.441 13.253 -7.812 1.00 0.00 C ATOM 888 CD ARG A 62 -6.715 12.451 -8.105 1.00 0.00 C ATOM 889 NE ARG A 62 -7.891 13.140 -7.501 1.00 0.00 N ATOM 890 CZ ARG A 62 -9.004 12.484 -7.304 1.00 0.00 C ATOM 891 NH1 ARG A 62 -9.085 11.221 -7.627 1.00 0.00 N ATOM 892 NH2 ARG A 62 -10.038 13.089 -6.780 1.00 0.00 N ATOM 0 H ARG A 62 -3.266 13.352 -6.331 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.290 10.816 -7.209 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.496 13.316 -8.782 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.534 12.030 -9.364 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.290 13.330 -6.735 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.545 14.269 -8.193 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -6.854 12.350 -9.181 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.624 11.443 -7.700 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.827 14.124 -7.241 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.279 10.746 -8.033 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -9.954 10.710 -7.473 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.977 14.075 -6.524 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.906 12.575 -6.627 1.00 0.00 H new ATOM 906 N HIS A 63 -1.359 11.706 -8.483 1.00 0.00 N ATOM 907 CA HIS A 63 -0.143 11.117 -9.120 1.00 0.00 C ATOM 908 C HIS A 63 0.605 10.213 -8.127 1.00 0.00 C ATOM 909 O HIS A 63 1.317 9.308 -8.518 1.00 0.00 O ATOM 910 CB HIS A 63 0.783 12.252 -9.583 1.00 0.00 C ATOM 911 CG HIS A 63 1.723 11.762 -10.660 1.00 0.00 C ATOM 912 ND1 HIS A 63 2.590 12.619 -11.322 1.00 0.00 N ATOM 913 CD2 HIS A 63 1.941 10.518 -11.204 1.00 0.00 C ATOM 914 CE1 HIS A 63 3.280 11.888 -12.217 1.00 0.00 C ATOM 915 NE2 HIS A 63 2.924 10.601 -12.184 1.00 0.00 N ATOM 0 H HIS A 63 -1.344 12.720 -8.375 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.448 10.513 -9.975 1.00 0.00 H new ATOM 0 HB2 HIS A 63 0.188 13.083 -9.962 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.356 12.630 -8.736 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.427 9.614 -10.914 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.030 12.293 -12.881 1.00 0.00 H new ATOM 0 HE2 HIS A 63 3.294 9.841 -12.755 1.00 0.00 H new ATOM 923 N GLY A 64 0.472 10.457 -6.849 1.00 0.00 N ATOM 924 CA GLY A 64 1.200 9.617 -5.846 1.00 0.00 C ATOM 925 C GLY A 64 0.439 8.311 -5.584 1.00 0.00 C ATOM 926 O GLY A 64 0.986 7.235 -5.716 1.00 0.00 O ATOM 0 H GLY A 64 -0.107 11.199 -6.455 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.203 9.393 -6.210 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.315 10.171 -4.914 1.00 0.00 H new ATOM 930 N PHE A 65 -0.813 8.385 -5.211 1.00 0.00 N ATOM 931 CA PHE A 65 -1.576 7.128 -4.945 1.00 0.00 C ATOM 932 C PHE A 65 -1.742 6.362 -6.269 1.00 0.00 C ATOM 933 O PHE A 65 -1.912 5.160 -6.287 1.00 0.00 O ATOM 934 CB PHE A 65 -2.953 7.461 -4.283 1.00 0.00 C ATOM 935 CG PHE A 65 -4.125 7.214 -5.224 1.00 0.00 C ATOM 936 CD1 PHE A 65 -4.485 5.903 -5.563 1.00 0.00 C ATOM 937 CD2 PHE A 65 -4.844 8.292 -5.755 1.00 0.00 C ATOM 938 CE1 PHE A 65 -5.559 5.673 -6.431 1.00 0.00 C ATOM 939 CE2 PHE A 65 -5.915 8.063 -6.623 1.00 0.00 C ATOM 940 CZ PHE A 65 -6.273 6.753 -6.963 1.00 0.00 C ATOM 0 H PHE A 65 -1.336 9.251 -5.080 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.032 6.495 -4.244 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.077 6.855 -3.385 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.958 8.504 -3.967 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.933 5.069 -5.154 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.570 9.303 -5.493 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.837 4.662 -6.690 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.467 8.897 -7.032 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.099 6.576 -7.635 1.00 0.00 H new ATOM 950 N ASP A 66 -1.684 7.054 -7.375 1.00 0.00 N ATOM 951 CA ASP A 66 -1.835 6.368 -8.690 1.00 0.00 C ATOM 952 C ASP A 66 -0.616 5.480 -8.942 1.00 0.00 C ATOM 953 O ASP A 66 -0.737 4.331 -9.317 1.00 0.00 O ATOM 954 CB ASP A 66 -1.952 7.417 -9.803 1.00 0.00 C ATOM 955 CG ASP A 66 -1.921 6.732 -11.173 1.00 0.00 C ATOM 956 OD1 ASP A 66 -2.945 6.207 -11.574 1.00 0.00 O ATOM 957 OD2 ASP A 66 -0.871 6.748 -11.797 1.00 0.00 O ATOM 0 H ASP A 66 -1.539 8.062 -7.425 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.734 5.752 -8.681 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.879 7.979 -9.689 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.134 8.133 -9.727 1.00 0.00 H new ATOM 962 N ILE A 67 0.553 6.007 -8.737 1.00 0.00 N ATOM 963 CA ILE A 67 1.789 5.203 -8.958 1.00 0.00 C ATOM 964 C ILE A 67 1.798 4.002 -8.005 1.00 0.00 C ATOM 965 O ILE A 67 2.119 2.898 -8.387 1.00 0.00 O ATOM 966 CB ILE A 67 3.011 6.109 -8.736 1.00 0.00 C ATOM 967 CG1 ILE A 67 3.020 7.165 -9.849 1.00 0.00 C ATOM 968 CG2 ILE A 67 4.329 5.289 -8.769 1.00 0.00 C ATOM 969 CD1 ILE A 67 4.005 8.279 -9.491 1.00 0.00 C ATOM 0 H ILE A 67 0.711 6.965 -8.424 1.00 0.00 H new ATOM 0 HA ILE A 67 1.820 4.818 -9.977 1.00 0.00 H new ATOM 0 HB ILE A 67 2.945 6.581 -7.756 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.302 6.707 -10.797 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.020 7.578 -9.980 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.176 5.956 -8.609 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.308 4.534 -7.983 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.429 4.800 -9.738 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.010 9.028 -10.283 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.703 8.744 -8.553 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.005 7.859 -9.382 1.00 0.00 H new ATOM 981 N LEU A 68 1.429 4.203 -6.772 1.00 0.00 N ATOM 982 CA LEU A 68 1.405 3.067 -5.802 1.00 0.00 C ATOM 983 C LEU A 68 0.453 1.985 -6.335 1.00 0.00 C ATOM 984 O LEU A 68 0.847 0.860 -6.566 1.00 0.00 O ATOM 985 CB LEU A 68 0.921 3.571 -4.408 1.00 0.00 C ATOM 986 CG LEU A 68 2.025 3.386 -3.345 1.00 0.00 C ATOM 987 CD1 LEU A 68 3.044 4.519 -3.453 1.00 0.00 C ATOM 988 CD2 LEU A 68 1.400 3.406 -1.952 1.00 0.00 C ATOM 0 H LEU A 68 1.142 5.105 -6.391 1.00 0.00 H new ATOM 0 HA LEU A 68 2.406 2.651 -5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.645 4.623 -4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.027 3.024 -4.109 1.00 0.00 H new ATOM 0 HG LEU A 68 2.524 2.432 -3.512 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.821 4.383 -2.700 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.495 4.509 -4.445 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.545 5.474 -3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.180 3.275 -1.202 1.00 0.00 H new ATOM 0 HD22 LEU A 68 0.898 4.360 -1.792 1.00 0.00 H new ATOM 0 HD23 LEU A 68 0.675 2.596 -1.867 1.00 0.00 H new ATOM 1000 N VAL A 69 -0.796 2.312 -6.535 1.00 0.00 N ATOM 1001 CA VAL A 69 -1.750 1.286 -7.052 1.00 0.00 C ATOM 1002 C VAL A 69 -1.256 0.801 -8.423 1.00 0.00 C ATOM 1003 O VAL A 69 -1.387 -0.357 -8.768 1.00 0.00 O ATOM 1004 CB VAL A 69 -3.189 1.888 -7.130 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -3.566 2.286 -8.565 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -4.213 0.863 -6.624 1.00 0.00 C ATOM 0 H VAL A 69 -1.195 3.235 -6.365 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.794 0.431 -6.378 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.199 2.782 -6.506 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.574 2.700 -8.575 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.863 3.034 -8.932 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.529 1.407 -9.208 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.214 1.290 -6.681 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.165 -0.034 -7.241 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.988 0.604 -5.589 1.00 0.00 H new ATOM 1016 N GLY A 70 -0.679 1.678 -9.199 1.00 0.00 N ATOM 1017 CA GLY A 70 -0.167 1.267 -10.538 1.00 0.00 C ATOM 1018 C GLY A 70 0.971 0.257 -10.365 1.00 0.00 C ATOM 1019 O GLY A 70 1.172 -0.609 -11.189 1.00 0.00 O ATOM 0 H GLY A 70 -0.540 2.661 -8.964 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.972 0.826 -11.127 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.188 2.140 -11.086 1.00 0.00 H new ATOM 1023 N GLN A 71 1.721 0.370 -9.300 1.00 0.00 N ATOM 1024 CA GLN A 71 2.858 -0.572 -9.067 1.00 0.00 C ATOM 1025 C GLN A 71 2.376 -1.784 -8.288 1.00 0.00 C ATOM 1026 O GLN A 71 2.711 -2.912 -8.595 1.00 0.00 O ATOM 1027 CB GLN A 71 3.925 0.119 -8.226 1.00 0.00 C ATOM 1028 CG GLN A 71 4.537 1.301 -8.984 1.00 0.00 C ATOM 1029 CD GLN A 71 5.148 2.274 -7.972 1.00 0.00 C ATOM 1030 OE1 GLN A 71 6.350 2.420 -7.910 1.00 0.00 O ATOM 1031 NE2 GLN A 71 4.363 2.952 -7.168 1.00 0.00 N ATOM 0 H GLN A 71 1.595 1.078 -8.577 1.00 0.00 H new ATOM 0 HA GLN A 71 3.260 -0.876 -10.034 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.487 0.469 -7.291 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.706 -0.595 -7.965 1.00 0.00 H new ATOM 0 HG2 GLN A 71 5.301 0.950 -9.678 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.774 1.804 -9.578 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.352 2.830 -7.220 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.764 3.601 -6.491 1.00 0.00 H new ATOM 1040 N ILE A 72 1.603 -1.560 -7.272 1.00 0.00 N ATOM 1041 CA ILE A 72 1.108 -2.691 -6.464 1.00 0.00 C ATOM 1042 C ILE A 72 0.338 -3.615 -7.395 1.00 0.00 C ATOM 1043 O ILE A 72 0.388 -4.823 -7.277 1.00 0.00 O ATOM 1044 CB ILE A 72 0.192 -2.136 -5.375 1.00 0.00 C ATOM 1045 CG1 ILE A 72 1.007 -1.218 -4.440 1.00 0.00 C ATOM 1046 CG2 ILE A 72 -0.406 -3.285 -4.563 1.00 0.00 C ATOM 1047 CD1 ILE A 72 0.070 -0.263 -3.699 1.00 0.00 C ATOM 0 H ILE A 72 1.293 -0.638 -6.967 1.00 0.00 H new ATOM 0 HA ILE A 72 1.921 -3.242 -5.992 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.614 -1.567 -5.839 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.567 -1.819 -3.724 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.736 -0.650 -5.019 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.058 -2.882 -3.788 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.983 -3.934 -5.222 1.00 0.00 H new ATOM 0 HG23 ILE A 72 0.396 -3.859 -4.100 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.653 0.381 -3.041 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.471 0.349 -4.421 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.641 -0.838 -3.106 1.00 0.00 H new ATOM 1059 N ASP A 73 -0.348 -3.053 -8.348 1.00 0.00 N ATOM 1060 CA ASP A 73 -1.092 -3.894 -9.319 1.00 0.00 C ATOM 1061 C ASP A 73 -0.086 -4.603 -10.230 1.00 0.00 C ATOM 1062 O ASP A 73 -0.163 -5.797 -10.437 1.00 0.00 O ATOM 1063 CB ASP A 73 -2.020 -3.017 -10.161 1.00 0.00 C ATOM 1064 CG ASP A 73 -2.748 -3.886 -11.187 1.00 0.00 C ATOM 1065 OD1 ASP A 73 -3.290 -4.907 -10.794 1.00 0.00 O ATOM 1066 OD2 ASP A 73 -2.750 -3.519 -12.351 1.00 0.00 O ATOM 0 H ASP A 73 -0.425 -2.047 -8.496 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.692 -4.630 -8.784 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.741 -2.511 -9.519 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.445 -2.242 -10.667 1.00 0.00 H new ATOM 1071 N ASP A 74 0.865 -3.881 -10.772 1.00 0.00 N ATOM 1072 CA ASP A 74 1.870 -4.540 -11.659 1.00 0.00 C ATOM 1073 C ASP A 74 2.675 -5.545 -10.846 1.00 0.00 C ATOM 1074 O ASP A 74 3.230 -6.488 -11.370 1.00 0.00 O ATOM 1075 CB ASP A 74 2.825 -3.510 -12.244 1.00 0.00 C ATOM 1076 CG ASP A 74 2.029 -2.374 -12.887 1.00 0.00 C ATOM 1077 OD1 ASP A 74 0.811 -2.449 -12.875 1.00 0.00 O ATOM 1078 OD2 ASP A 74 2.650 -1.449 -13.379 1.00 0.00 O ATOM 0 H ASP A 74 0.987 -2.877 -10.640 1.00 0.00 H new ATOM 0 HA ASP A 74 1.342 -5.040 -12.471 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.473 -3.115 -11.461 1.00 0.00 H new ATOM 0 HB3 ASP A 74 3.471 -3.979 -12.986 1.00 0.00 H new ATOM 1083 N ALA A 75 2.765 -5.344 -9.566 1.00 0.00 N ATOM 1084 CA ALA A 75 3.543 -6.285 -8.726 1.00 0.00 C ATOM 1085 C ALA A 75 2.727 -7.565 -8.513 1.00 0.00 C ATOM 1086 O ALA A 75 3.269 -8.646 -8.392 1.00 0.00 O ATOM 1087 CB ALA A 75 3.861 -5.631 -7.380 1.00 0.00 C ATOM 0 H ALA A 75 2.333 -4.568 -9.065 1.00 0.00 H new ATOM 0 HA ALA A 75 4.479 -6.536 -9.224 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.433 -6.325 -6.764 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.445 -4.726 -7.544 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.932 -5.376 -6.871 1.00 0.00 H new ATOM 1093 N LEU A 76 1.422 -7.447 -8.456 1.00 0.00 N ATOM 1094 CA LEU A 76 0.565 -8.652 -8.239 1.00 0.00 C ATOM 1095 C LEU A 76 0.603 -9.541 -9.483 1.00 0.00 C ATOM 1096 O LEU A 76 0.895 -10.716 -9.401 1.00 0.00 O ATOM 1097 CB LEU A 76 -0.885 -8.217 -7.954 1.00 0.00 C ATOM 1098 CG LEU A 76 -1.731 -9.417 -7.429 1.00 0.00 C ATOM 1099 CD1 LEU A 76 -2.738 -8.936 -6.374 1.00 0.00 C ATOM 1100 CD2 LEU A 76 -2.515 -10.070 -8.581 1.00 0.00 C ATOM 0 H LEU A 76 0.915 -6.567 -8.551 1.00 0.00 H new ATOM 0 HA LEU A 76 0.944 -9.213 -7.384 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.890 -7.413 -7.218 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.335 -7.819 -8.863 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.045 -10.142 -6.990 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.322 -9.784 -6.016 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.202 -8.485 -5.539 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.405 -8.197 -6.818 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.100 -10.905 -8.196 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.184 -9.335 -9.028 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.818 -10.433 -9.336 1.00 0.00 H new ATOM 1112 N LYS A 77 0.313 -9.001 -10.639 1.00 0.00 N ATOM 1113 CA LYS A 77 0.345 -9.856 -11.862 1.00 0.00 C ATOM 1114 C LYS A 77 1.736 -10.468 -11.954 1.00 0.00 C ATOM 1115 O LYS A 77 1.901 -11.608 -12.340 1.00 0.00 O ATOM 1116 CB LYS A 77 0.064 -9.019 -13.128 1.00 0.00 C ATOM 1117 CG LYS A 77 0.804 -7.658 -13.057 1.00 0.00 C ATOM 1118 CD LYS A 77 1.548 -7.344 -14.372 1.00 0.00 C ATOM 1119 CE LYS A 77 2.709 -8.334 -14.594 1.00 0.00 C ATOM 1120 NZ LYS A 77 3.785 -7.667 -15.380 1.00 0.00 N ATOM 0 H LYS A 77 0.060 -8.024 -10.788 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.423 -10.627 -11.796 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.386 -9.568 -14.013 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.008 -8.851 -13.229 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.087 -6.864 -12.846 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.515 -7.673 -12.231 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.853 -7.398 -15.210 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.934 -6.325 -14.343 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.101 -8.673 -13.635 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.352 -9.218 -15.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.569 -8.334 -15.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.406 -7.364 -16.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.132 -6.837 -14.859 1.00 0.00 H new ATOM 1134 N LEU A 78 2.738 -9.731 -11.564 1.00 0.00 N ATOM 1135 CA LEU A 78 4.106 -10.295 -11.590 1.00 0.00 C ATOM 1136 C LEU A 78 4.097 -11.498 -10.655 1.00 0.00 C ATOM 1137 O LEU A 78 4.540 -12.568 -10.999 1.00 0.00 O ATOM 1138 CB LEU A 78 5.119 -9.236 -11.112 1.00 0.00 C ATOM 1139 CG LEU A 78 6.507 -9.489 -11.731 1.00 0.00 C ATOM 1140 CD1 LEU A 78 6.960 -10.921 -11.417 1.00 0.00 C ATOM 1141 CD2 LEU A 78 6.473 -9.270 -13.264 1.00 0.00 C ATOM 0 H LEU A 78 2.665 -8.770 -11.231 1.00 0.00 H new ATOM 0 HA LEU A 78 4.398 -10.593 -12.597 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.769 -8.241 -11.387 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.191 -9.259 -10.025 1.00 0.00 H new ATOM 0 HG LEU A 78 7.215 -8.781 -11.299 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.942 -11.097 -11.856 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.016 -11.056 -10.337 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.244 -11.629 -11.834 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.464 -9.454 -13.680 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.757 -9.958 -13.714 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.174 -8.244 -13.478 1.00 0.00 H new ATOM 1153 N ALA A 79 3.549 -11.339 -9.484 1.00 0.00 N ATOM 1154 CA ALA A 79 3.472 -12.490 -8.551 1.00 0.00 C ATOM 1155 C ALA A 79 2.685 -13.597 -9.247 1.00 0.00 C ATOM 1156 O ALA A 79 3.048 -14.751 -9.204 1.00 0.00 O ATOM 1157 CB ALA A 79 2.761 -12.069 -7.265 1.00 0.00 C ATOM 0 H ALA A 79 3.154 -10.466 -9.136 1.00 0.00 H new ATOM 0 HA ALA A 79 4.470 -12.840 -8.289 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.708 -12.918 -6.584 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.315 -11.259 -6.791 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.753 -11.729 -7.501 1.00 0.00 H new ATOM 1163 N ASN A 80 1.622 -13.245 -9.914 1.00 0.00 N ATOM 1164 CA ASN A 80 0.837 -14.273 -10.648 1.00 0.00 C ATOM 1165 C ASN A 80 1.735 -14.899 -11.720 1.00 0.00 C ATOM 1166 O ASN A 80 2.148 -16.037 -11.622 1.00 0.00 O ATOM 1167 CB ASN A 80 -0.370 -13.621 -11.321 1.00 0.00 C ATOM 1168 CG ASN A 80 -1.206 -12.886 -10.275 1.00 0.00 C ATOM 1169 OD1 ASN A 80 -0.697 -12.460 -9.257 1.00 0.00 O ATOM 1170 ND2 ASN A 80 -2.479 -12.726 -10.486 1.00 0.00 N ATOM 0 H ASN A 80 1.264 -12.292 -9.982 1.00 0.00 H new ATOM 0 HA ASN A 80 0.488 -15.036 -9.952 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -0.037 -12.924 -12.090 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -0.975 -14.379 -11.818 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.053 -12.242 -9.796 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -2.903 -13.085 -11.341 1.00 0.00 H new ATOM 1177 N GLU A 81 2.031 -14.144 -12.746 1.00 0.00 N ATOM 1178 CA GLU A 81 2.897 -14.649 -13.852 1.00 0.00 C ATOM 1179 C GLU A 81 4.341 -14.840 -13.351 1.00 0.00 C ATOM 1180 O GLU A 81 5.239 -15.116 -14.120 1.00 0.00 O ATOM 1181 CB GLU A 81 2.860 -13.621 -14.997 1.00 0.00 C ATOM 1182 CG GLU A 81 3.944 -13.929 -16.043 1.00 0.00 C ATOM 1183 CD GLU A 81 3.557 -13.325 -17.398 1.00 0.00 C ATOM 1184 OE1 GLU A 81 3.128 -12.181 -17.414 1.00 0.00 O ATOM 1185 OE2 GLU A 81 3.700 -14.012 -18.394 1.00 0.00 O ATOM 0 H GLU A 81 1.704 -13.185 -12.866 1.00 0.00 H new ATOM 0 HA GLU A 81 2.532 -15.614 -14.205 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.878 -13.632 -15.470 1.00 0.00 H new ATOM 0 HB3 GLU A 81 3.009 -12.618 -14.596 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.901 -13.524 -15.716 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.071 -15.007 -16.140 1.00 0.00 H new ATOM 1192 N GLY A 82 4.574 -14.706 -12.069 1.00 0.00 N ATOM 1193 CA GLY A 82 5.962 -14.879 -11.528 1.00 0.00 C ATOM 1194 C GLY A 82 5.923 -15.710 -10.249 1.00 0.00 C ATOM 1195 O GLY A 82 4.875 -16.048 -9.743 1.00 0.00 O ATOM 0 H GLY A 82 3.864 -14.484 -11.371 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.592 -15.368 -12.270 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.406 -13.905 -11.325 1.00 0.00 H new ATOM 1199 N LYS A 83 7.066 -16.044 -9.727 1.00 0.00 N ATOM 1200 CA LYS A 83 7.112 -16.854 -8.478 1.00 0.00 C ATOM 1201 C LYS A 83 6.877 -15.922 -7.280 1.00 0.00 C ATOM 1202 O LYS A 83 6.418 -14.807 -7.436 1.00 0.00 O ATOM 1203 CB LYS A 83 8.491 -17.538 -8.372 1.00 0.00 C ATOM 1204 CG LYS A 83 8.357 -18.907 -7.691 1.00 0.00 C ATOM 1205 CD LYS A 83 9.749 -19.519 -7.486 1.00 0.00 C ATOM 1206 CE LYS A 83 9.685 -20.624 -6.428 1.00 0.00 C ATOM 1207 NZ LYS A 83 11.068 -21.058 -6.091 1.00 0.00 N ATOM 0 H LYS A 83 7.976 -15.791 -10.112 1.00 0.00 H new ATOM 0 HA LYS A 83 6.340 -17.623 -8.489 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.921 -17.660 -9.366 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.174 -16.907 -7.804 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.851 -18.799 -6.731 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.744 -19.570 -8.302 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.118 -19.926 -8.427 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.453 -18.747 -7.175 1.00 0.00 H new ATOM 0 HE2 LYS A 83 9.177 -20.260 -5.535 1.00 0.00 H new ATOM 0 HE3 LYS A 83 9.107 -21.469 -6.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 11.031 -21.809 -5.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.536 -21.420 -6.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.605 -20.249 -5.719 1.00 0.00 H new ATOM 1221 N VAL A 84 7.196 -16.357 -6.085 1.00 0.00 N ATOM 1222 CA VAL A 84 7.002 -15.487 -4.891 1.00 0.00 C ATOM 1223 C VAL A 84 8.297 -14.694 -4.659 1.00 0.00 C ATOM 1224 O VAL A 84 8.277 -13.509 -4.396 1.00 0.00 O ATOM 1225 CB VAL A 84 6.631 -16.367 -3.669 1.00 0.00 C ATOM 1226 CG1 VAL A 84 7.877 -16.902 -2.933 1.00 0.00 C ATOM 1227 CG2 VAL A 84 5.775 -15.563 -2.682 1.00 0.00 C ATOM 0 H VAL A 84 7.583 -17.280 -5.888 1.00 0.00 H new ATOM 0 HA VAL A 84 6.186 -14.781 -5.044 1.00 0.00 H new ATOM 0 HB VAL A 84 6.071 -17.221 -4.050 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.565 -17.512 -2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.471 -17.508 -3.617 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.476 -16.064 -2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.520 -16.190 -1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 84 6.335 -14.693 -2.339 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.861 -15.234 -3.177 1.00 0.00 H new ATOM 1237 N LYS A 85 9.426 -15.349 -4.781 1.00 0.00 N ATOM 1238 CA LYS A 85 10.725 -14.652 -4.600 1.00 0.00 C ATOM 1239 C LYS A 85 10.901 -13.685 -5.770 1.00 0.00 C ATOM 1240 O LYS A 85 11.354 -12.567 -5.613 1.00 0.00 O ATOM 1241 CB LYS A 85 11.854 -15.695 -4.575 1.00 0.00 C ATOM 1242 CG LYS A 85 13.202 -15.033 -4.889 1.00 0.00 C ATOM 1243 CD LYS A 85 14.364 -15.924 -4.405 1.00 0.00 C ATOM 1244 CE LYS A 85 14.697 -15.611 -2.941 1.00 0.00 C ATOM 1245 NZ LYS A 85 15.767 -16.533 -2.469 1.00 0.00 N ATOM 0 H LYS A 85 9.497 -16.343 -5.000 1.00 0.00 H new ATOM 0 HA LYS A 85 10.752 -14.098 -3.662 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.895 -16.172 -3.596 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.649 -16.480 -5.303 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.289 -14.862 -5.962 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.257 -14.058 -4.405 1.00 0.00 H new ATOM 0 HD2 LYS A 85 14.093 -16.975 -4.507 1.00 0.00 H new ATOM 0 HD3 LYS A 85 15.243 -15.759 -5.029 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.025 -14.576 -2.844 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.807 -15.722 -2.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.994 -16.322 -1.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 15.437 -17.516 -2.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 16.618 -16.405 -3.053 1.00 0.00 H new ATOM 1259 N GLU A 86 10.522 -14.110 -6.940 1.00 0.00 N ATOM 1260 CA GLU A 86 10.633 -13.230 -8.133 1.00 0.00 C ATOM 1261 C GLU A 86 9.808 -11.977 -7.850 1.00 0.00 C ATOM 1262 O GLU A 86 10.253 -10.861 -8.042 1.00 0.00 O ATOM 1263 CB GLU A 86 10.087 -13.998 -9.361 1.00 0.00 C ATOM 1264 CG GLU A 86 9.462 -13.051 -10.398 1.00 0.00 C ATOM 1265 CD GLU A 86 10.465 -11.961 -10.778 1.00 0.00 C ATOM 1266 OE1 GLU A 86 11.439 -12.286 -11.439 1.00 0.00 O ATOM 1267 OE2 GLU A 86 10.243 -10.823 -10.407 1.00 0.00 O ATOM 0 H GLU A 86 10.137 -15.037 -7.122 1.00 0.00 H new ATOM 0 HA GLU A 86 11.664 -12.945 -8.340 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.896 -14.562 -9.825 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.341 -14.722 -9.034 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.168 -13.612 -11.285 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.557 -12.599 -9.992 1.00 0.00 H new ATOM 1274 N ALA A 87 8.606 -12.162 -7.392 1.00 0.00 N ATOM 1275 CA ALA A 87 7.732 -10.997 -7.089 1.00 0.00 C ATOM 1276 C ALA A 87 8.404 -10.109 -6.033 1.00 0.00 C ATOM 1277 O ALA A 87 8.443 -8.900 -6.164 1.00 0.00 O ATOM 1278 CB ALA A 87 6.379 -11.511 -6.562 1.00 0.00 C ATOM 0 H ALA A 87 8.187 -13.075 -7.213 1.00 0.00 H new ATOM 0 HA ALA A 87 7.571 -10.409 -7.992 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.731 -10.664 -6.337 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.908 -12.137 -7.319 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.540 -12.096 -5.656 1.00 0.00 H new ATOM 1284 N GLN A 88 8.929 -10.690 -4.986 1.00 0.00 N ATOM 1285 CA GLN A 88 9.582 -9.860 -3.939 1.00 0.00 C ATOM 1286 C GLN A 88 10.738 -9.073 -4.576 1.00 0.00 C ATOM 1287 O GLN A 88 10.998 -7.940 -4.225 1.00 0.00 O ATOM 1288 CB GLN A 88 10.047 -10.791 -2.784 1.00 0.00 C ATOM 1289 CG GLN A 88 11.575 -10.895 -2.688 1.00 0.00 C ATOM 1290 CD GLN A 88 12.149 -9.583 -2.146 1.00 0.00 C ATOM 1291 OE1 GLN A 88 11.345 -8.577 -1.921 1.00 0.00 O flip ATOM 1292 NE2 GLN A 88 13.338 -9.472 -1.924 1.00 0.00 N flip ATOM 0 H GLN A 88 8.933 -11.695 -4.814 1.00 0.00 H new ATOM 0 HA GLN A 88 8.891 -9.132 -3.515 1.00 0.00 H new ATOM 0 HB2 GLN A 88 9.652 -10.417 -1.839 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.628 -11.786 -2.933 1.00 0.00 H new ATOM 0 HG2 GLN A 88 11.852 -11.722 -2.034 1.00 0.00 H new ATOM 0 HG3 GLN A 88 11.997 -11.109 -3.670 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.965 -10.257 -2.100 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.709 -8.594 -1.562 1.00 0.00 H new ATOM 1301 N ALA A 89 11.426 -9.668 -5.512 1.00 0.00 N ATOM 1302 CA ALA A 89 12.559 -8.958 -6.174 1.00 0.00 C ATOM 1303 C ALA A 89 12.042 -7.672 -6.828 1.00 0.00 C ATOM 1304 O ALA A 89 12.627 -6.615 -6.691 1.00 0.00 O ATOM 1305 CB ALA A 89 13.164 -9.869 -7.245 1.00 0.00 C ATOM 0 H ALA A 89 11.253 -10.616 -5.848 1.00 0.00 H new ATOM 0 HA ALA A 89 13.319 -8.707 -5.434 1.00 0.00 H new ATOM 0 HB1 ALA A 89 13.993 -9.356 -7.733 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.527 -10.785 -6.780 1.00 0.00 H new ATOM 0 HB3 ALA A 89 12.403 -10.115 -7.986 1.00 0.00 H new ATOM 1311 N ALA A 90 10.949 -7.759 -7.535 1.00 0.00 N ATOM 1312 CA ALA A 90 10.386 -6.553 -8.201 1.00 0.00 C ATOM 1313 C ALA A 90 10.078 -5.484 -7.149 1.00 0.00 C ATOM 1314 O ALA A 90 10.210 -4.301 -7.390 1.00 0.00 O ATOM 1315 CB ALA A 90 9.097 -6.933 -8.930 1.00 0.00 C ATOM 0 H ALA A 90 10.420 -8.619 -7.680 1.00 0.00 H new ATOM 0 HA ALA A 90 11.110 -6.161 -8.916 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.682 -6.052 -9.419 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.314 -7.695 -9.679 1.00 0.00 H new ATOM 0 HB3 ALA A 90 8.375 -7.324 -8.213 1.00 0.00 H new ATOM 1321 N ALA A 91 9.660 -5.897 -5.982 1.00 0.00 N ATOM 1322 CA ALA A 91 9.336 -4.913 -4.908 1.00 0.00 C ATOM 1323 C ALA A 91 10.599 -4.153 -4.492 1.00 0.00 C ATOM 1324 O ALA A 91 10.568 -2.960 -4.271 1.00 0.00 O ATOM 1325 CB ALA A 91 8.773 -5.655 -3.693 1.00 0.00 C ATOM 0 H ALA A 91 9.529 -6.876 -5.726 1.00 0.00 H new ATOM 0 HA ALA A 91 8.599 -4.204 -5.286 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.536 -4.938 -2.907 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.868 -6.191 -3.981 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.514 -6.365 -3.325 1.00 0.00 H new ATOM 1331 N GLU A 92 11.704 -4.836 -4.368 1.00 0.00 N ATOM 1332 CA GLU A 92 12.960 -4.154 -3.950 1.00 0.00 C ATOM 1333 C GLU A 92 13.304 -3.042 -4.941 1.00 0.00 C ATOM 1334 O GLU A 92 13.526 -1.906 -4.561 1.00 0.00 O ATOM 1335 CB GLU A 92 14.096 -5.176 -3.893 1.00 0.00 C ATOM 1336 CG GLU A 92 13.696 -6.312 -2.946 1.00 0.00 C ATOM 1337 CD GLU A 92 14.933 -7.123 -2.555 1.00 0.00 C ATOM 1338 OE1 GLU A 92 15.383 -7.912 -3.369 1.00 0.00 O ATOM 1339 OE2 GLU A 92 15.407 -6.944 -1.444 1.00 0.00 O ATOM 0 H GLU A 92 11.791 -5.838 -4.538 1.00 0.00 H new ATOM 0 HA GLU A 92 12.822 -3.712 -2.963 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.299 -5.570 -4.889 1.00 0.00 H new ATOM 0 HB3 GLU A 92 15.013 -4.701 -3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 92 13.221 -5.903 -2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 92 12.964 -6.959 -3.429 1.00 0.00 H new ATOM 1346 N GLN A 93 13.341 -3.342 -6.210 1.00 0.00 N ATOM 1347 CA GLN A 93 13.664 -2.263 -7.183 1.00 0.00 C ATOM 1348 C GLN A 93 12.575 -1.194 -7.096 1.00 0.00 C ATOM 1349 O GLN A 93 12.844 -0.014 -7.195 1.00 0.00 O ATOM 1350 CB GLN A 93 13.760 -2.821 -8.609 1.00 0.00 C ATOM 1351 CG GLN A 93 12.553 -3.704 -8.915 1.00 0.00 C ATOM 1352 CD GLN A 93 12.765 -4.409 -10.255 1.00 0.00 C ATOM 1353 OE1 GLN A 93 13.732 -5.122 -10.435 1.00 0.00 O ATOM 1354 NE2 GLN A 93 11.895 -4.239 -11.212 1.00 0.00 N ATOM 0 H GLN A 93 13.166 -4.265 -6.608 1.00 0.00 H new ATOM 0 HA GLN A 93 14.633 -1.828 -6.938 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.810 -2.001 -9.325 1.00 0.00 H new ATOM 0 HB3 GLN A 93 14.678 -3.397 -8.720 1.00 0.00 H new ATOM 0 HG2 GLN A 93 12.417 -4.440 -8.122 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.646 -3.100 -8.949 1.00 0.00 H new ATOM 0 HE21 GLN A 93 11.083 -3.641 -11.062 1.00 0.00 H new ATOM 0 HE22 GLN A 93 12.027 -4.704 -12.110 1.00 0.00 H new ATOM 1363 N LEU A 94 11.346 -1.591 -6.880 1.00 0.00 N ATOM 1364 CA LEU A 94 10.258 -0.580 -6.751 1.00 0.00 C ATOM 1365 C LEU A 94 10.338 0.056 -5.365 1.00 0.00 C ATOM 1366 O LEU A 94 9.665 1.019 -5.080 1.00 0.00 O ATOM 1367 CB LEU A 94 8.880 -1.229 -6.914 1.00 0.00 C ATOM 1368 CG LEU A 94 8.697 -1.749 -8.348 1.00 0.00 C ATOM 1369 CD1 LEU A 94 7.416 -2.582 -8.417 1.00 0.00 C ATOM 1370 CD2 LEU A 94 8.603 -0.573 -9.338 1.00 0.00 C ATOM 0 H LEU A 94 11.053 -2.564 -6.788 1.00 0.00 H new ATOM 0 HA LEU A 94 10.386 0.169 -7.532 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.772 -2.051 -6.206 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.100 -0.504 -6.681 1.00 0.00 H new ATOM 0 HG LEU A 94 9.556 -2.363 -8.618 1.00 0.00 H new ATOM 0 HD11 LEU A 94 7.279 -2.955 -9.432 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.492 -3.423 -7.728 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.563 -1.962 -8.140 1.00 0.00 H new ATOM 0 HD21 LEU A 94 8.474 -0.958 -10.349 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.751 0.055 -9.077 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.518 0.018 -9.289 1.00 0.00 H new ATOM 1382 N LYS A 95 11.153 -0.468 -4.493 1.00 0.00 N ATOM 1383 CA LYS A 95 11.253 0.135 -3.138 1.00 0.00 C ATOM 1384 C LYS A 95 11.935 1.496 -3.278 1.00 0.00 C ATOM 1385 O LYS A 95 11.460 2.496 -2.776 1.00 0.00 O ATOM 1386 CB LYS A 95 12.081 -0.791 -2.238 1.00 0.00 C ATOM 1387 CG LYS A 95 11.977 -0.356 -0.764 1.00 0.00 C ATOM 1388 CD LYS A 95 12.803 0.924 -0.511 1.00 0.00 C ATOM 1389 CE LYS A 95 13.314 0.951 0.935 1.00 0.00 C ATOM 1390 NZ LYS A 95 12.160 1.022 1.876 1.00 0.00 N ATOM 0 H LYS A 95 11.748 -1.280 -4.658 1.00 0.00 H new ATOM 0 HA LYS A 95 10.267 0.263 -2.691 1.00 0.00 H new ATOM 0 HB2 LYS A 95 11.731 -1.818 -2.345 1.00 0.00 H new ATOM 0 HB3 LYS A 95 13.124 -0.775 -2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 95 10.933 -0.178 -0.505 1.00 0.00 H new ATOM 0 HG3 LYS A 95 12.333 -1.158 -0.117 1.00 0.00 H new ATOM 0 HD2 LYS A 95 13.645 0.964 -1.202 1.00 0.00 H new ATOM 0 HD3 LYS A 95 12.190 1.804 -0.704 1.00 0.00 H new ATOM 0 HE2 LYS A 95 13.906 0.059 1.138 1.00 0.00 H new ATOM 0 HE3 LYS A 95 13.969 1.809 1.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 12.511 1.143 2.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 11.555 1.830 1.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 11.607 0.143 1.814 1.00 0.00 H new ATOM 1404 N THR A 96 13.033 1.545 -3.977 1.00 0.00 N ATOM 1405 CA THR A 96 13.734 2.848 -4.167 1.00 0.00 C ATOM 1406 C THR A 96 12.984 3.714 -5.193 1.00 0.00 C ATOM 1407 O THR A 96 12.996 4.926 -5.113 1.00 0.00 O ATOM 1408 CB THR A 96 15.163 2.598 -4.661 1.00 0.00 C ATOM 1409 OG1 THR A 96 15.698 3.803 -5.189 1.00 0.00 O ATOM 1410 CG2 THR A 96 15.149 1.526 -5.750 1.00 0.00 C ATOM 0 H THR A 96 13.476 0.743 -4.425 1.00 0.00 H new ATOM 0 HA THR A 96 13.762 3.373 -3.212 1.00 0.00 H new ATOM 0 HB THR A 96 15.780 2.259 -3.829 1.00 0.00 H new ATOM 0 HG1 THR A 96 16.612 3.645 -5.504 1.00 0.00 H new ATOM 0 HG21 THR A 96 16.166 1.350 -6.100 1.00 0.00 H new ATOM 0 HG22 THR A 96 14.739 0.601 -5.345 1.00 0.00 H new ATOM 0 HG23 THR A 96 14.532 1.862 -6.583 1.00 0.00 H new ATOM 1418 N THR A 97 12.347 3.108 -6.167 1.00 0.00 N ATOM 1419 CA THR A 97 11.620 3.899 -7.205 1.00 0.00 C ATOM 1420 C THR A 97 10.154 4.107 -6.787 1.00 0.00 C ATOM 1421 O THR A 97 9.522 5.069 -7.172 1.00 0.00 O ATOM 1422 CB THR A 97 11.681 3.126 -8.531 1.00 0.00 C ATOM 1423 OG1 THR A 97 12.997 3.198 -9.062 1.00 0.00 O ATOM 1424 CG2 THR A 97 10.695 3.718 -9.533 1.00 0.00 C ATOM 0 H THR A 97 12.301 2.096 -6.286 1.00 0.00 H new ATOM 0 HA THR A 97 12.085 4.878 -7.318 1.00 0.00 H new ATOM 0 HB THR A 97 11.416 2.085 -8.346 1.00 0.00 H new ATOM 0 HG1 THR A 97 13.036 2.703 -9.907 1.00 0.00 H new ATOM 0 HG21 THR A 97 10.748 3.161 -10.468 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.684 3.654 -9.130 1.00 0.00 H new ATOM 0 HG23 THR A 97 10.947 4.762 -9.718 1.00 0.00 H new ATOM 1432 N GLY A 98 9.608 3.206 -6.020 1.00 0.00 N ATOM 1433 CA GLY A 98 8.187 3.344 -5.595 1.00 0.00 C ATOM 1434 C GLY A 98 8.099 4.320 -4.422 1.00 0.00 C ATOM 1435 O GLY A 98 8.308 3.960 -3.280 1.00 0.00 O ATOM 0 H GLY A 98 10.086 2.377 -5.668 1.00 0.00 H new ATOM 0 HA2 GLY A 98 7.581 3.703 -6.427 1.00 0.00 H new ATOM 0 HA3 GLY A 98 7.787 2.373 -5.305 1.00 0.00 H new