USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 662 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 LYS NZ :NH3+ -132:sc= -3.73! (180deg=0) USER MOD Set 1.2: A 102 ASN : amide:sc= -7.98! K(o=-12!,f=0.38) USER MOD Single : A 22 ASN : amide:sc= -0.913 K(o=-0.91,f=-2.7!) USER MOD Single : A 25 GLN : amide:sc= -0.348 X(o=-0.35,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 158:sc= -0.0231 (180deg=-0.248) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -139:sc= -0.0343 (180deg=-0.522) USER MOD Single : A 41 GLN : amide:sc= -9.5! K(o=-9.5!,f=-3) USER MOD Single : A 42 LYS NZ :NH3+ 137:sc= -0.375 (180deg=-1.47!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 172:sc= -2.72! (180deg=-2.76!) USER MOD Single : A 52 SER OG : rot 180:sc= -0.661 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0785 USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -7.32! C(o=-7.3!,f=-7.9!) USER MOD Single : A 71 GLN : amide:sc= -2.32 K(o=-2.3,f=-4.3!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -0.141 X(o=-0.14,f=-0.14!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 179:sc= -1.84 (180deg=-1.92) USER MOD Single : A 88 GLN : amide:sc= -7.1! C(o=-7.1!,f=-3.8!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 95 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0839) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 69:sc= 0.983 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= -0.261 K(o=-0.26,f=-4.3!) USER MOD Single : A 104 LYS NZ :NH3+ 133:sc= -0.147 (180deg=-0.847) USER MOD Single : A 105 TYR OH : rot 150:sc= -0.438 USER MOD ----------------------------------------------------------------- ATOM 275 N ASN A 22 4.627 -19.526 2.444 1.00 0.00 N ATOM 276 CA ASN A 22 4.601 -19.298 1.003 1.00 0.00 C ATOM 277 C ASN A 22 3.517 -18.290 0.635 1.00 0.00 C ATOM 278 O ASN A 22 3.624 -17.102 0.931 1.00 0.00 O ATOM 279 CB ASN A 22 4.347 -20.634 0.291 1.00 0.00 C ATOM 280 CG ASN A 22 4.603 -20.490 -1.205 1.00 0.00 C ATOM 281 OD1 ASN A 22 5.643 -19.969 -1.603 1.00 0.00 O ATOM 282 ND2 ASN A 22 3.723 -20.934 -2.062 1.00 0.00 N ATOM 0 HA ASN A 22 5.561 -18.889 0.687 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.996 -21.405 0.706 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.320 -20.956 0.462 1.00 0.00 H new ATOM 0 HD21 ASN A 22 3.898 -20.849 -3.063 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.861 -21.366 -1.730 1.00 0.00 H new ATOM 289 N ALA A 23 2.479 -18.782 -0.015 1.00 0.00 N ATOM 290 CA ALA A 23 1.368 -17.942 -0.435 1.00 0.00 C ATOM 291 C ALA A 23 0.874 -17.060 0.710 1.00 0.00 C ATOM 292 O ALA A 23 0.664 -15.861 0.535 1.00 0.00 O ATOM 293 CB ALA A 23 0.225 -18.833 -0.917 1.00 0.00 C ATOM 0 H ALA A 23 2.380 -19.766 -0.266 1.00 0.00 H new ATOM 0 HA ALA A 23 1.711 -17.292 -1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.612 -18.211 -1.234 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.565 -19.439 -1.757 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.095 -19.486 -0.105 1.00 0.00 H new ATOM 299 N ALA A 24 0.677 -17.664 1.878 1.00 0.00 N ATOM 300 CA ALA A 24 0.191 -16.923 3.041 1.00 0.00 C ATOM 301 C ALA A 24 1.061 -15.703 3.317 1.00 0.00 C ATOM 302 O ALA A 24 0.554 -14.613 3.588 1.00 0.00 O ATOM 303 CB ALA A 24 0.180 -17.832 4.271 1.00 0.00 C ATOM 0 H ALA A 24 0.844 -18.656 2.046 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.822 -16.583 2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.183 -17.273 5.133 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.475 -18.684 4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.191 -18.188 4.469 1.00 0.00 H new ATOM 309 N GLN A 25 2.371 -15.897 3.257 1.00 0.00 N ATOM 310 CA GLN A 25 3.312 -14.818 3.511 1.00 0.00 C ATOM 311 C GLN A 25 3.113 -13.664 2.530 1.00 0.00 C ATOM 312 O GLN A 25 3.081 -12.499 2.929 1.00 0.00 O ATOM 313 CB GLN A 25 4.726 -15.378 3.385 1.00 0.00 C ATOM 314 CG GLN A 25 5.768 -14.286 3.663 1.00 0.00 C ATOM 315 CD GLN A 25 7.095 -14.910 4.104 1.00 0.00 C ATOM 316 OE1 GLN A 25 7.850 -14.285 4.849 1.00 0.00 O ATOM 317 NE2 GLN A 25 7.433 -16.109 3.693 1.00 0.00 N ATOM 0 H GLN A 25 2.805 -16.793 3.034 1.00 0.00 H new ATOM 0 HA GLN A 25 3.146 -14.424 4.514 1.00 0.00 H new ATOM 0 HB2 GLN A 25 4.860 -16.202 4.085 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.874 -15.783 2.384 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.922 -13.686 2.766 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.400 -13.613 4.438 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.811 -16.631 3.076 1.00 0.00 H new ATOM 0 HE22 GLN A 25 8.318 -16.520 3.991 1.00 0.00 H new ATOM 326 N VAL A 26 2.987 -13.991 1.248 1.00 0.00 N ATOM 327 CA VAL A 26 2.806 -12.965 0.222 1.00 0.00 C ATOM 328 C VAL A 26 1.464 -12.238 0.408 1.00 0.00 C ATOM 329 O VAL A 26 1.409 -11.010 0.358 1.00 0.00 O ATOM 330 CB VAL A 26 2.929 -13.624 -1.193 1.00 0.00 C ATOM 331 CG1 VAL A 26 1.727 -13.301 -2.091 1.00 0.00 C ATOM 332 CG2 VAL A 26 4.205 -13.137 -1.902 1.00 0.00 C ATOM 0 H VAL A 26 3.006 -14.948 0.895 1.00 0.00 H new ATOM 0 HA VAL A 26 3.586 -12.209 0.316 1.00 0.00 H new ATOM 0 HB VAL A 26 2.966 -14.701 -1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.858 -13.780 -3.061 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.814 -13.671 -1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.653 -12.222 -2.226 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.276 -13.604 -2.884 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.166 -12.054 -2.017 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.078 -13.408 -1.307 1.00 0.00 H new ATOM 342 N LYS A 27 0.390 -12.996 0.607 1.00 0.00 N ATOM 343 CA LYS A 27 -0.929 -12.401 0.780 1.00 0.00 C ATOM 344 C LYS A 27 -0.897 -11.259 1.794 1.00 0.00 C ATOM 345 O LYS A 27 -1.229 -10.116 1.469 1.00 0.00 O ATOM 346 CB LYS A 27 -1.914 -13.470 1.238 1.00 0.00 C ATOM 347 CG LYS A 27 -2.173 -14.440 0.076 1.00 0.00 C ATOM 348 CD LYS A 27 -2.970 -15.664 0.562 1.00 0.00 C ATOM 349 CE LYS A 27 -4.463 -15.336 0.586 1.00 0.00 C ATOM 350 NZ LYS A 27 -4.991 -15.318 -0.808 1.00 0.00 N ATOM 0 H LYS A 27 0.407 -14.015 0.652 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.246 -11.990 -0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.513 -14.009 2.096 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.848 -13.009 1.559 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.724 -13.931 -0.715 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.225 -14.763 -0.354 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.786 -16.513 -0.096 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.636 -15.954 1.558 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.999 -16.076 1.180 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.626 -14.368 1.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.020 -15.469 -0.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.783 -14.398 -1.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.539 -16.075 -1.360 1.00 0.00 H new ATOM 364 N ASP A 28 -0.501 -11.569 3.024 1.00 0.00 N ATOM 365 CA ASP A 28 -0.441 -10.549 4.064 1.00 0.00 C ATOM 366 C ASP A 28 0.461 -9.405 3.627 1.00 0.00 C ATOM 367 O ASP A 28 0.228 -8.246 3.972 1.00 0.00 O ATOM 368 CB ASP A 28 0.090 -11.152 5.364 1.00 0.00 C ATOM 369 CG ASP A 28 1.450 -11.795 5.124 1.00 0.00 C ATOM 370 OD1 ASP A 28 2.349 -11.091 4.693 1.00 0.00 O ATOM 371 OD2 ASP A 28 1.573 -12.980 5.378 1.00 0.00 O ATOM 0 H ASP A 28 -0.221 -12.503 3.322 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.448 -10.166 4.232 1.00 0.00 H new ATOM 0 HB2 ASP A 28 0.175 -10.377 6.126 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.611 -11.896 5.742 1.00 0.00 H new ATOM 376 N ALA A 29 1.493 -9.743 2.865 1.00 0.00 N ATOM 377 CA ALA A 29 2.431 -8.741 2.380 1.00 0.00 C ATOM 378 C ALA A 29 1.841 -7.972 1.200 1.00 0.00 C ATOM 379 O ALA A 29 2.368 -6.933 0.804 1.00 0.00 O ATOM 380 CB ALA A 29 3.736 -9.415 1.948 1.00 0.00 C ATOM 0 H ALA A 29 1.701 -10.697 2.571 1.00 0.00 H new ATOM 0 HA ALA A 29 2.631 -8.040 3.190 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.433 -8.659 1.586 1.00 0.00 H new ATOM 0 HB2 ALA A 29 4.175 -9.936 2.799 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.530 -10.130 1.151 1.00 0.00 H new ATOM 386 N LEU A 30 0.748 -8.484 0.636 1.00 0.00 N ATOM 387 CA LEU A 30 0.113 -7.837 -0.492 1.00 0.00 C ATOM 388 C LEU A 30 -0.673 -6.623 -0.014 1.00 0.00 C ATOM 389 O LEU A 30 -0.563 -5.527 -0.569 1.00 0.00 O ATOM 390 CB LEU A 30 -0.838 -8.855 -1.184 1.00 0.00 C ATOM 391 CG LEU A 30 -0.635 -8.873 -2.725 1.00 0.00 C ATOM 392 CD1 LEU A 30 0.251 -10.060 -3.120 1.00 0.00 C ATOM 393 CD2 LEU A 30 -1.985 -9.004 -3.449 1.00 0.00 C ATOM 0 H LEU A 30 0.291 -9.342 0.946 1.00 0.00 H new ATOM 0 HA LEU A 30 0.868 -7.503 -1.203 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.659 -9.852 -0.781 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.873 -8.600 -0.956 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.159 -7.936 -3.015 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.389 -10.067 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.221 -9.969 -2.631 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.226 -10.989 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.820 -9.015 -4.526 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.471 -9.932 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.622 -8.159 -3.188 1.00 0.00 H new ATOM 405 N THR A 31 -1.478 -6.842 1.012 1.00 0.00 N ATOM 406 CA THR A 31 -2.298 -5.779 1.557 1.00 0.00 C ATOM 407 C THR A 31 -1.455 -4.785 2.328 1.00 0.00 C ATOM 408 O THR A 31 -1.803 -3.612 2.431 1.00 0.00 O ATOM 409 CB THR A 31 -3.367 -6.359 2.464 1.00 0.00 C ATOM 410 OG1 THR A 31 -2.803 -6.670 3.730 1.00 0.00 O ATOM 411 CG2 THR A 31 -3.922 -7.621 1.818 1.00 0.00 C ATOM 0 H THR A 31 -1.580 -7.742 1.481 1.00 0.00 H new ATOM 0 HA THR A 31 -2.773 -5.257 0.726 1.00 0.00 H new ATOM 0 HB THR A 31 -4.169 -5.635 2.606 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.496 -7.043 4.314 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.692 -8.049 2.459 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.354 -7.374 0.848 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.118 -8.345 1.683 1.00 0.00 H new ATOM 419 N LYS A 32 -0.332 -5.245 2.858 1.00 0.00 N ATOM 420 CA LYS A 32 0.545 -4.352 3.592 1.00 0.00 C ATOM 421 C LYS A 32 0.824 -3.139 2.720 1.00 0.00 C ATOM 422 O LYS A 32 0.381 -2.029 3.016 1.00 0.00 O ATOM 423 CB LYS A 32 1.860 -5.059 3.947 1.00 0.00 C ATOM 424 CG LYS A 32 2.573 -4.292 5.073 1.00 0.00 C ATOM 425 CD LYS A 32 4.062 -4.687 5.124 1.00 0.00 C ATOM 426 CE LYS A 32 4.874 -3.831 4.141 1.00 0.00 C ATOM 427 NZ LYS A 32 6.325 -4.126 4.310 1.00 0.00 N ATOM 0 H LYS A 32 -0.013 -6.212 2.795 1.00 0.00 H new ATOM 0 HA LYS A 32 0.067 -4.047 4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.660 -6.083 4.262 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.503 -5.115 3.068 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.479 -3.219 4.908 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.098 -4.510 6.029 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.446 -4.554 6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.174 -5.743 4.876 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.566 -4.042 3.117 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.683 -2.773 4.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.877 -3.547 3.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.613 -3.904 5.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 6.499 -5.133 4.119 1.00 0.00 H new ATOM 441 N MET A 33 1.519 -3.375 1.614 1.00 0.00 N ATOM 442 CA MET A 33 1.813 -2.302 0.677 1.00 0.00 C ATOM 443 C MET A 33 0.529 -1.550 0.349 1.00 0.00 C ATOM 444 O MET A 33 0.407 -0.366 0.646 1.00 0.00 O ATOM 445 CB MET A 33 2.431 -2.872 -0.601 1.00 0.00 C ATOM 446 CG MET A 33 3.755 -3.560 -0.265 1.00 0.00 C ATOM 447 SD MET A 33 4.245 -4.631 -1.639 1.00 0.00 S ATOM 448 CE MET A 33 5.159 -5.848 -0.660 1.00 0.00 C ATOM 0 H MET A 33 1.885 -4.289 1.347 1.00 0.00 H new ATOM 0 HA MET A 33 2.527 -1.615 1.130 1.00 0.00 H new ATOM 0 HB2 MET A 33 1.746 -3.583 -1.063 1.00 0.00 H new ATOM 0 HB3 MET A 33 2.597 -2.074 -1.325 1.00 0.00 H new ATOM 0 HG2 MET A 33 4.527 -2.814 -0.078 1.00 0.00 H new ATOM 0 HG3 MET A 33 3.651 -4.146 0.648 1.00 0.00 H new ATOM 0 HE1 MET A 33 6.070 -6.130 -1.188 1.00 0.00 H new ATOM 0 HE2 MET A 33 5.419 -5.416 0.307 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.540 -6.732 -0.508 1.00 0.00 H new ATOM 458 N ARG A 34 -0.436 -2.243 -0.256 1.00 0.00 N ATOM 459 CA ARG A 34 -1.709 -1.612 -0.596 1.00 0.00 C ATOM 460 C ARG A 34 -2.215 -0.760 0.565 1.00 0.00 C ATOM 461 O ARG A 34 -2.196 0.469 0.506 1.00 0.00 O ATOM 462 CB ARG A 34 -2.764 -2.675 -0.909 1.00 0.00 C ATOM 463 CG ARG A 34 -3.968 -2.017 -1.582 1.00 0.00 C ATOM 464 CD ARG A 34 -5.056 -3.073 -1.800 1.00 0.00 C ATOM 465 NE ARG A 34 -6.322 -2.432 -2.139 1.00 0.00 N ATOM 466 CZ ARG A 34 -7.304 -3.114 -2.719 1.00 0.00 C ATOM 467 NH1 ARG A 34 -7.149 -4.381 -2.992 1.00 0.00 N ATOM 468 NH2 ARG A 34 -8.427 -2.515 -3.015 1.00 0.00 N ATOM 0 H ARG A 34 -0.362 -3.226 -0.517 1.00 0.00 H new ATOM 0 HA ARG A 34 -1.543 -0.982 -1.470 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.342 -3.440 -1.561 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.075 -3.175 0.008 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -4.349 -1.206 -0.962 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -3.673 -1.578 -2.535 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.759 -3.752 -2.599 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.175 -3.674 -0.899 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.456 -1.443 -1.927 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.273 -4.849 -2.760 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.904 -4.903 -3.437 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.549 -1.525 -2.801 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.182 -3.037 -3.460 1.00 0.00 H new ATOM 482 N ALA A 35 -2.685 -1.432 1.614 1.00 0.00 N ATOM 483 CA ALA A 35 -3.215 -0.741 2.780 1.00 0.00 C ATOM 484 C ALA A 35 -2.257 0.343 3.260 1.00 0.00 C ATOM 485 O ALA A 35 -2.684 1.337 3.836 1.00 0.00 O ATOM 486 CB ALA A 35 -3.456 -1.742 3.910 1.00 0.00 C ATOM 0 H ALA A 35 -2.708 -2.450 1.678 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.156 -0.270 2.495 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.853 -1.220 4.780 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.172 -2.496 3.582 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.516 -2.225 4.175 1.00 0.00 H new ATOM 492 N ALA A 36 -0.966 0.147 3.020 1.00 0.00 N ATOM 493 CA ALA A 36 0.033 1.124 3.445 1.00 0.00 C ATOM 494 C ALA A 36 0.067 2.301 2.481 1.00 0.00 C ATOM 495 O ALA A 36 0.329 3.435 2.880 1.00 0.00 O ATOM 496 CB ALA A 36 1.419 0.476 3.516 1.00 0.00 C ATOM 0 H ALA A 36 -0.588 -0.669 2.539 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.242 1.484 4.437 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.152 1.218 3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 36 1.400 -0.346 4.232 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.693 0.094 2.532 1.00 0.00 H new ATOM 502 N ALA A 37 -0.212 2.025 1.215 1.00 0.00 N ATOM 503 CA ALA A 37 -0.222 3.072 0.208 1.00 0.00 C ATOM 504 C ALA A 37 -1.438 3.960 0.408 1.00 0.00 C ATOM 505 O ALA A 37 -1.337 5.187 0.371 1.00 0.00 O ATOM 506 CB ALA A 37 -0.259 2.455 -1.192 1.00 0.00 C ATOM 0 H ALA A 37 -0.432 1.093 0.864 1.00 0.00 H new ATOM 0 HA ALA A 37 0.684 3.670 0.308 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.266 3.249 -1.939 1.00 0.00 H new ATOM 0 HB2 ALA A 37 0.621 1.828 -1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.158 1.848 -1.299 1.00 0.00 H new ATOM 512 N LEU A 38 -2.587 3.333 0.634 1.00 0.00 N ATOM 513 CA LEU A 38 -3.819 4.095 0.851 1.00 0.00 C ATOM 514 C LEU A 38 -3.700 4.933 2.130 1.00 0.00 C ATOM 515 O LEU A 38 -4.030 6.128 2.145 1.00 0.00 O ATOM 516 CB LEU A 38 -5.034 3.145 0.954 1.00 0.00 C ATOM 517 CG LEU A 38 -5.638 2.891 -0.437 1.00 0.00 C ATOM 518 CD1 LEU A 38 -4.603 2.227 -1.348 1.00 0.00 C ATOM 519 CD2 LEU A 38 -6.854 1.972 -0.299 1.00 0.00 C ATOM 0 H LEU A 38 -2.695 2.319 0.672 1.00 0.00 H new ATOM 0 HA LEU A 38 -3.969 4.760 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.727 2.200 1.402 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.788 3.579 1.611 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.939 3.843 -0.875 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.042 2.052 -2.330 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.736 2.879 -1.449 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.293 1.276 -0.914 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.285 1.789 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.546 1.025 0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.598 2.447 0.341 1.00 0.00 H new ATOM 531 N ASP A 39 -3.229 4.300 3.200 1.00 0.00 N ATOM 532 CA ASP A 39 -3.077 4.987 4.477 1.00 0.00 C ATOM 533 C ASP A 39 -2.224 6.243 4.309 1.00 0.00 C ATOM 534 O ASP A 39 -2.667 7.357 4.588 1.00 0.00 O ATOM 535 CB ASP A 39 -2.424 4.048 5.510 1.00 0.00 C ATOM 536 CG ASP A 39 -2.748 4.497 6.931 1.00 0.00 C ATOM 537 OD1 ASP A 39 -3.905 4.413 7.309 1.00 0.00 O ATOM 538 OD2 ASP A 39 -1.834 4.918 7.621 1.00 0.00 O ATOM 0 H ASP A 39 -2.948 3.320 3.209 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.066 5.278 4.832 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.778 3.029 5.356 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.344 4.036 5.365 1.00 0.00 H new ATOM 543 N ALA A 40 -0.995 6.049 3.853 1.00 0.00 N ATOM 544 CA ALA A 40 -0.071 7.157 3.653 1.00 0.00 C ATOM 545 C ALA A 40 -0.725 8.302 2.888 1.00 0.00 C ATOM 546 O ALA A 40 -0.661 9.460 3.303 1.00 0.00 O ATOM 547 CB ALA A 40 1.157 6.659 2.883 1.00 0.00 C ATOM 0 H ALA A 40 -0.614 5.134 3.614 1.00 0.00 H new ATOM 0 HA ALA A 40 0.225 7.535 4.632 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.851 7.486 2.731 1.00 0.00 H new ATOM 0 HB2 ALA A 40 1.650 5.872 3.454 1.00 0.00 H new ATOM 0 HB3 ALA A 40 0.845 6.265 1.916 1.00 0.00 H new ATOM 553 N GLN A 41 -1.336 7.966 1.765 1.00 0.00 N ATOM 554 CA GLN A 41 -1.981 8.955 0.916 1.00 0.00 C ATOM 555 C GLN A 41 -2.758 9.971 1.745 1.00 0.00 C ATOM 556 O GLN A 41 -2.531 11.174 1.618 1.00 0.00 O ATOM 557 CB GLN A 41 -2.889 8.229 -0.123 1.00 0.00 C ATOM 558 CG GLN A 41 -4.167 9.050 -0.498 1.00 0.00 C ATOM 559 CD GLN A 41 -5.430 8.411 0.085 1.00 0.00 C ATOM 560 OE1 GLN A 41 -6.450 8.323 -0.601 1.00 0.00 O ATOM 561 NE2 GLN A 41 -5.426 7.959 1.305 1.00 0.00 N ATOM 0 H GLN A 41 -1.399 7.009 1.417 1.00 0.00 H new ATOM 0 HA GLN A 41 -1.220 9.517 0.375 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -2.312 8.033 -1.027 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.190 7.262 0.279 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.068 10.070 -0.127 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.256 9.113 -1.583 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.582 8.032 1.873 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.267 7.532 1.693 1.00 0.00 H new ATOM 570 N LYS A 42 -3.708 9.507 2.550 1.00 0.00 N ATOM 571 CA LYS A 42 -4.528 10.450 3.323 1.00 0.00 C ATOM 572 C LYS A 42 -4.910 9.912 4.697 1.00 0.00 C ATOM 573 O LYS A 42 -6.079 9.943 5.086 1.00 0.00 O ATOM 574 CB LYS A 42 -5.804 10.793 2.510 1.00 0.00 C ATOM 575 CG LYS A 42 -6.150 12.286 2.651 1.00 0.00 C ATOM 576 CD LYS A 42 -5.339 13.116 1.633 1.00 0.00 C ATOM 577 CE LYS A 42 -6.069 13.163 0.284 1.00 0.00 C ATOM 578 NZ LYS A 42 -7.439 13.720 0.473 1.00 0.00 N ATOM 0 H LYS A 42 -3.929 8.521 2.687 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.932 11.346 3.495 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.649 10.547 1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -6.639 10.186 2.860 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.217 12.437 2.488 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.932 12.624 3.664 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.194 14.128 2.011 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.349 12.679 1.504 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.510 13.778 -0.422 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.129 12.162 -0.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.648 14.394 -0.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -8.134 12.947 0.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.492 14.209 1.389 1.00 0.00 H new ATOM 592 N ALA A 43 -3.924 9.451 5.447 1.00 0.00 N ATOM 593 CA ALA A 43 -4.196 8.944 6.803 1.00 0.00 C ATOM 594 C ALA A 43 -3.100 9.353 7.781 1.00 0.00 C ATOM 595 O ALA A 43 -3.346 10.124 8.707 1.00 0.00 O ATOM 596 CB ALA A 43 -4.331 7.425 6.786 1.00 0.00 C ATOM 0 H ALA A 43 -2.946 9.412 5.160 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.135 9.386 7.137 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.532 7.066 7.795 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.153 7.140 6.129 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.405 6.981 6.421 1.00 0.00 H new ATOM 602 N THR A 44 -1.893 8.825 7.580 1.00 0.00 N ATOM 603 CA THR A 44 -0.762 9.139 8.463 1.00 0.00 C ATOM 604 C THR A 44 0.263 10.031 7.744 1.00 0.00 C ATOM 605 O THR A 44 1.257 9.539 7.214 1.00 0.00 O ATOM 606 CB THR A 44 -0.111 7.831 8.971 1.00 0.00 C ATOM 607 OG1 THR A 44 0.753 8.138 10.055 1.00 0.00 O ATOM 608 CG2 THR A 44 0.700 7.120 7.871 1.00 0.00 C ATOM 0 H THR A 44 -1.670 8.182 6.820 1.00 0.00 H new ATOM 0 HA THR A 44 -1.131 9.696 9.324 1.00 0.00 H new ATOM 0 HB THR A 44 -0.910 7.159 9.283 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.169 7.314 10.385 1.00 0.00 H new ATOM 0 HG21 THR A 44 1.138 6.207 8.275 1.00 0.00 H new ATOM 0 HG22 THR A 44 0.042 6.870 7.038 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.494 7.779 7.521 1.00 0.00 H new ATOM 616 N PRO A 45 0.046 11.337 7.709 1.00 0.00 N ATOM 617 CA PRO A 45 0.980 12.285 7.034 1.00 0.00 C ATOM 618 C PRO A 45 2.441 11.838 7.144 1.00 0.00 C ATOM 619 O PRO A 45 3.082 12.053 8.173 1.00 0.00 O ATOM 620 CB PRO A 45 0.731 13.580 7.795 1.00 0.00 C ATOM 621 CG PRO A 45 -0.736 13.552 8.082 1.00 0.00 C ATOM 622 CD PRO A 45 -1.099 12.070 8.301 1.00 0.00 C ATOM 0 HA PRO A 45 0.808 12.365 5.961 1.00 0.00 H new ATOM 0 HB2 PRO A 45 1.317 13.623 8.713 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.005 14.452 7.201 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -0.972 14.146 8.965 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -1.304 13.974 7.253 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.218 11.839 9.360 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.037 11.811 7.811 1.00 0.00 H new ATOM 630 N PRO A 46 2.976 11.204 6.122 1.00 0.00 N ATOM 631 CA PRO A 46 4.379 10.704 6.133 1.00 0.00 C ATOM 632 C PRO A 46 5.382 11.794 5.751 1.00 0.00 C ATOM 633 O PRO A 46 5.665 12.685 6.552 1.00 0.00 O ATOM 634 CB PRO A 46 4.332 9.576 5.104 1.00 0.00 C ATOM 635 CG PRO A 46 3.349 10.050 4.080 1.00 0.00 C ATOM 636 CD PRO A 46 2.312 10.892 4.839 1.00 0.00 C ATOM 0 HA PRO A 46 4.714 10.376 7.117 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.313 9.400 4.662 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.013 8.637 5.557 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.844 10.643 3.311 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.874 9.208 3.577 1.00 0.00 H new ATOM 0 HD2 PRO A 46 2.056 11.799 4.291 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.385 10.340 4.993 1.00 0.00 H new ATOM 644 N LYS A 47 5.916 11.732 4.531 1.00 0.00 N ATOM 645 CA LYS A 47 6.878 12.738 4.086 1.00 0.00 C ATOM 646 C LYS A 47 6.148 14.009 3.654 1.00 0.00 C ATOM 647 O LYS A 47 6.770 15.056 3.480 1.00 0.00 O ATOM 648 CB LYS A 47 7.750 12.199 2.921 1.00 0.00 C ATOM 649 CG LYS A 47 7.022 11.056 2.185 1.00 0.00 C ATOM 650 CD LYS A 47 7.323 9.707 2.871 1.00 0.00 C ATOM 651 CE LYS A 47 8.618 9.107 2.313 1.00 0.00 C ATOM 652 NZ LYS A 47 9.142 8.093 3.270 1.00 0.00 N ATOM 0 H LYS A 47 5.703 11.009 3.844 1.00 0.00 H new ATOM 0 HA LYS A 47 7.537 12.972 4.922 1.00 0.00 H new ATOM 0 HB2 LYS A 47 7.973 13.006 2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 47 8.704 11.841 3.308 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.948 11.240 2.183 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.341 11.022 1.143 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.414 9.851 3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.495 9.016 2.711 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.431 8.646 1.343 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.358 9.892 2.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.156 8.259 3.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.631 8.171 4.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.005 7.140 2.876 1.00 0.00 H new ATOM 666 N LEU A 48 4.830 13.920 3.478 1.00 0.00 N ATOM 667 CA LEU A 48 4.063 15.094 3.064 1.00 0.00 C ATOM 668 C LEU A 48 3.840 16.039 4.242 1.00 0.00 C ATOM 669 O LEU A 48 2.773 16.640 4.371 1.00 0.00 O ATOM 670 CB LEU A 48 2.706 14.689 2.468 1.00 0.00 C ATOM 671 CG LEU A 48 2.856 13.419 1.622 1.00 0.00 C ATOM 672 CD1 LEU A 48 1.487 13.012 1.072 1.00 0.00 C ATOM 673 CD2 LEU A 48 3.809 13.682 0.453 1.00 0.00 C ATOM 0 H LEU A 48 4.282 13.070 3.612 1.00 0.00 H new ATOM 0 HA LEU A 48 4.643 15.608 2.298 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.986 14.519 3.268 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.314 15.500 1.854 1.00 0.00 H new ATOM 0 HG LEU A 48 3.259 12.620 2.244 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.590 12.109 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.805 12.820 1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.089 13.817 0.454 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.911 12.776 -0.144 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.410 14.483 -0.169 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.786 13.975 0.839 1.00 0.00 H new ATOM 685 N GLU A 49 4.854 16.179 5.090 1.00 0.00 N ATOM 686 CA GLU A 49 4.749 17.070 6.238 1.00 0.00 C ATOM 687 C GLU A 49 4.478 18.491 5.757 1.00 0.00 C ATOM 688 O GLU A 49 3.866 19.294 6.459 1.00 0.00 O ATOM 689 CB GLU A 49 6.047 17.044 7.047 1.00 0.00 C ATOM 690 CG GLU A 49 6.168 15.706 7.780 1.00 0.00 C ATOM 691 CD GLU A 49 7.419 15.701 8.651 1.00 0.00 C ATOM 692 OE1 GLU A 49 8.086 16.721 8.703 1.00 0.00 O ATOM 693 OE2 GLU A 49 7.693 14.675 9.253 1.00 0.00 O ATOM 0 H GLU A 49 5.747 15.693 5.005 1.00 0.00 H new ATOM 0 HA GLU A 49 3.929 16.735 6.873 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.902 17.187 6.386 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.057 17.865 7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.285 15.538 8.396 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.213 14.890 7.059 1.00 0.00 H new ATOM 700 N ASP A 50 4.944 18.784 4.548 1.00 0.00 N ATOM 701 CA ASP A 50 4.759 20.100 3.954 1.00 0.00 C ATOM 702 C ASP A 50 4.893 20.012 2.438 1.00 0.00 C ATOM 703 O ASP A 50 5.720 20.699 1.838 1.00 0.00 O ATOM 704 CB ASP A 50 5.799 21.077 4.503 1.00 0.00 C ATOM 705 CG ASP A 50 5.568 22.467 3.918 1.00 0.00 C ATOM 706 OD1 ASP A 50 4.428 22.904 3.915 1.00 0.00 O ATOM 707 OD2 ASP A 50 6.532 23.073 3.481 1.00 0.00 O ATOM 0 H ASP A 50 5.454 18.125 3.960 1.00 0.00 H new ATOM 0 HA ASP A 50 3.762 20.460 4.207 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.735 21.116 5.590 1.00 0.00 H new ATOM 0 HB3 ASP A 50 6.802 20.731 4.255 1.00 0.00 H new ATOM 712 N LYS A 51 4.074 19.158 1.824 1.00 0.00 N ATOM 713 CA LYS A 51 4.103 18.975 0.373 1.00 0.00 C ATOM 714 C LYS A 51 2.692 18.997 -0.190 1.00 0.00 C ATOM 715 O LYS A 51 2.441 18.419 -1.238 1.00 0.00 O ATOM 716 CB LYS A 51 4.751 17.638 0.019 1.00 0.00 C ATOM 717 CG LYS A 51 6.155 17.558 0.632 1.00 0.00 C ATOM 718 CD LYS A 51 6.878 16.281 0.147 1.00 0.00 C ATOM 719 CE LYS A 51 7.694 16.564 -1.129 1.00 0.00 C ATOM 720 NZ LYS A 51 7.001 17.580 -1.973 1.00 0.00 N ATOM 0 H LYS A 51 3.384 18.583 2.308 1.00 0.00 H new ATOM 0 HA LYS A 51 4.684 19.790 -0.059 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.136 16.817 0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.811 17.529 -1.064 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.732 18.440 0.353 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.085 17.554 1.720 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.538 15.912 0.932 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.147 15.497 -0.050 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.688 16.921 -0.861 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.828 15.642 -1.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.622 17.861 -2.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 6.123 17.174 -2.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 6.774 18.415 -1.395 1.00 0.00 H new ATOM 734 N SER A 52 1.782 19.657 0.525 1.00 0.00 N ATOM 735 CA SER A 52 0.378 19.759 0.107 1.00 0.00 C ATOM 736 C SER A 52 0.256 19.795 -1.422 1.00 0.00 C ATOM 737 O SER A 52 1.227 20.118 -2.089 1.00 0.00 O ATOM 738 CB SER A 52 -0.228 21.041 0.701 1.00 0.00 C ATOM 739 OG SER A 52 -1.083 21.664 -0.251 1.00 0.00 O ATOM 0 H SER A 52 1.991 20.133 1.403 1.00 0.00 H new ATOM 0 HA SER A 52 -0.159 18.882 0.469 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.789 20.803 1.604 1.00 0.00 H new ATOM 0 HB3 SER A 52 0.567 21.728 0.992 1.00 0.00 H new ATOM 0 HG SER A 52 -1.466 22.479 0.137 1.00 0.00 H new ATOM 745 N PRO A 53 -0.910 19.464 -1.969 1.00 0.00 N ATOM 746 CA PRO A 53 -1.172 19.458 -3.456 1.00 0.00 C ATOM 747 C PRO A 53 -0.580 20.652 -4.229 1.00 0.00 C ATOM 748 O PRO A 53 -1.232 21.211 -5.110 1.00 0.00 O ATOM 749 CB PRO A 53 -2.701 19.483 -3.542 1.00 0.00 C ATOM 750 CG PRO A 53 -3.173 18.779 -2.311 1.00 0.00 C ATOM 751 CD PRO A 53 -2.118 19.037 -1.222 1.00 0.00 C ATOM 0 HA PRO A 53 -0.694 18.595 -3.919 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -3.077 20.505 -3.580 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.053 18.980 -4.443 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.149 19.154 -2.001 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.286 17.711 -2.495 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -2.447 19.808 -0.525 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.925 18.139 -0.635 1.00 0.00 H new ATOM 759 N ASP A 54 0.641 21.031 -3.891 1.00 0.00 N ATOM 760 CA ASP A 54 1.320 22.154 -4.540 1.00 0.00 C ATOM 761 C ASP A 54 2.387 21.640 -5.501 1.00 0.00 C ATOM 762 O ASP A 54 2.283 21.807 -6.716 1.00 0.00 O ATOM 763 CB ASP A 54 1.990 23.025 -3.475 1.00 0.00 C ATOM 764 CG ASP A 54 2.640 24.240 -4.129 1.00 0.00 C ATOM 765 OD1 ASP A 54 1.909 25.107 -4.579 1.00 0.00 O ATOM 766 OD2 ASP A 54 3.857 24.284 -4.173 1.00 0.00 O ATOM 0 H ASP A 54 1.192 20.576 -3.164 1.00 0.00 H new ATOM 0 HA ASP A 54 0.585 22.737 -5.095 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.252 23.348 -2.741 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.741 22.445 -2.939 1.00 0.00 H new ATOM 771 N SER A 55 3.407 21.005 -4.933 1.00 0.00 N ATOM 772 CA SER A 55 4.502 20.447 -5.719 1.00 0.00 C ATOM 773 C SER A 55 4.022 19.178 -6.424 1.00 0.00 C ATOM 774 O SER A 55 2.843 18.834 -6.336 1.00 0.00 O ATOM 775 CB SER A 55 5.685 20.136 -4.776 1.00 0.00 C ATOM 776 OG SER A 55 5.509 20.862 -3.566 1.00 0.00 O ATOM 0 H SER A 55 3.498 20.864 -3.927 1.00 0.00 H new ATOM 0 HA SER A 55 4.830 21.160 -6.475 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.733 19.067 -4.571 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.627 20.413 -5.249 1.00 0.00 H new ATOM 0 HG SER A 55 6.254 20.671 -2.959 1.00 0.00 H new ATOM 782 N PRO A 56 4.893 18.467 -7.095 1.00 0.00 N ATOM 783 CA PRO A 56 4.516 17.198 -7.789 1.00 0.00 C ATOM 784 C PRO A 56 3.955 16.158 -6.809 1.00 0.00 C ATOM 785 O PRO A 56 3.950 14.962 -7.097 1.00 0.00 O ATOM 786 CB PRO A 56 5.836 16.721 -8.428 1.00 0.00 C ATOM 787 CG PRO A 56 6.694 17.943 -8.502 1.00 0.00 C ATOM 788 CD PRO A 56 6.317 18.783 -7.286 1.00 0.00 C ATOM 0 HA PRO A 56 3.724 17.345 -8.523 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.307 15.944 -7.827 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.665 16.298 -9.418 1.00 0.00 H new ATOM 0 HG2 PRO A 56 7.752 17.681 -8.485 1.00 0.00 H new ATOM 0 HG3 PRO A 56 6.517 18.491 -9.427 1.00 0.00 H new ATOM 0 HD2 PRO A 56 6.911 18.516 -6.411 1.00 0.00 H new ATOM 0 HD3 PRO A 56 6.474 19.847 -7.466 1.00 0.00 H new ATOM 796 N GLU A 57 3.478 16.617 -5.653 1.00 0.00 N ATOM 797 CA GLU A 57 2.914 15.714 -4.665 1.00 0.00 C ATOM 798 C GLU A 57 1.891 14.812 -5.334 1.00 0.00 C ATOM 799 O GLU A 57 2.100 13.614 -5.457 1.00 0.00 O ATOM 800 CB GLU A 57 2.249 16.514 -3.537 1.00 0.00 C ATOM 801 CG GLU A 57 1.385 15.579 -2.674 1.00 0.00 C ATOM 802 CD GLU A 57 1.034 16.246 -1.350 1.00 0.00 C ATOM 803 OE1 GLU A 57 1.870 16.227 -0.461 1.00 0.00 O ATOM 804 OE2 GLU A 57 -0.065 16.763 -1.242 1.00 0.00 O ATOM 0 H GLU A 57 3.473 17.601 -5.384 1.00 0.00 H new ATOM 0 HA GLU A 57 3.711 15.105 -4.238 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.010 16.993 -2.921 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.633 17.309 -3.957 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.472 15.320 -3.210 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.921 14.648 -2.488 1.00 0.00 H new ATOM 811 N MET A 58 0.792 15.410 -5.778 1.00 0.00 N ATOM 812 CA MET A 58 -0.260 14.658 -6.452 1.00 0.00 C ATOM 813 C MET A 58 0.361 13.720 -7.477 1.00 0.00 C ATOM 814 O MET A 58 0.162 12.507 -7.432 1.00 0.00 O ATOM 815 CB MET A 58 -1.225 15.621 -7.145 1.00 0.00 C ATOM 816 CG MET A 58 -1.682 16.702 -6.156 1.00 0.00 C ATOM 817 SD MET A 58 -2.835 17.824 -6.984 1.00 0.00 S ATOM 818 CE MET A 58 -4.349 16.895 -6.635 1.00 0.00 C ATOM 0 H MET A 58 0.606 16.409 -5.684 1.00 0.00 H new ATOM 0 HA MET A 58 -0.812 14.072 -5.717 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.738 16.083 -8.003 1.00 0.00 H new ATOM 0 HB3 MET A 58 -2.088 15.074 -7.525 1.00 0.00 H new ATOM 0 HG2 MET A 58 -2.162 16.241 -5.293 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.821 17.257 -5.783 1.00 0.00 H new ATOM 0 HE1 MET A 58 -5.204 17.418 -7.064 1.00 0.00 H new ATOM 0 HE2 MET A 58 -4.275 15.900 -7.074 1.00 0.00 H new ATOM 0 HE3 MET A 58 -4.482 16.807 -5.557 1.00 0.00 H new ATOM 828 N LYS A 59 1.140 14.290 -8.385 1.00 0.00 N ATOM 829 CA LYS A 59 1.808 13.492 -9.407 1.00 0.00 C ATOM 830 C LYS A 59 2.452 12.264 -8.767 1.00 0.00 C ATOM 831 O LYS A 59 2.454 11.175 -9.345 1.00 0.00 O ATOM 832 CB LYS A 59 2.887 14.331 -10.105 1.00 0.00 C ATOM 833 CG LYS A 59 2.235 15.367 -11.047 1.00 0.00 C ATOM 834 CD LYS A 59 2.040 14.760 -12.449 1.00 0.00 C ATOM 835 CE LYS A 59 3.348 14.844 -13.258 1.00 0.00 C ATOM 836 NZ LYS A 59 3.429 13.678 -14.183 1.00 0.00 N ATOM 0 H LYS A 59 1.325 15.292 -8.437 1.00 0.00 H new ATOM 0 HA LYS A 59 1.070 13.171 -10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 59 3.499 14.841 -9.361 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.552 13.681 -10.673 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.274 15.683 -10.642 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.862 16.256 -11.111 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.726 13.720 -12.361 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.246 15.290 -12.974 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.380 15.775 -13.824 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.206 14.850 -12.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 4.311 13.731 -14.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.416 12.796 -13.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.616 13.693 -14.832 1.00 0.00 H new ATOM 850 N ASP A 60 2.997 12.454 -7.567 1.00 0.00 N ATOM 851 CA ASP A 60 3.647 11.367 -6.844 1.00 0.00 C ATOM 852 C ASP A 60 2.620 10.486 -6.140 1.00 0.00 C ATOM 853 O ASP A 60 2.724 9.265 -6.174 1.00 0.00 O ATOM 854 CB ASP A 60 4.631 11.940 -5.830 1.00 0.00 C ATOM 855 CG ASP A 60 5.480 10.823 -5.236 1.00 0.00 C ATOM 856 OD1 ASP A 60 5.035 9.687 -5.269 1.00 0.00 O ATOM 857 OD2 ASP A 60 6.561 11.120 -4.754 1.00 0.00 O ATOM 0 H ASP A 60 3.001 13.349 -7.077 1.00 0.00 H new ATOM 0 HA ASP A 60 4.186 10.749 -7.562 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.272 12.678 -6.311 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.089 12.456 -5.038 1.00 0.00 H new ATOM 862 N PHE A 61 1.612 11.098 -5.521 1.00 0.00 N ATOM 863 CA PHE A 61 0.579 10.316 -4.855 1.00 0.00 C ATOM 864 C PHE A 61 -0.226 9.599 -5.928 1.00 0.00 C ATOM 865 O PHE A 61 -0.183 8.377 -6.035 1.00 0.00 O ATOM 866 CB PHE A 61 -0.346 11.217 -3.979 1.00 0.00 C ATOM 867 CG PHE A 61 -1.774 10.677 -3.959 1.00 0.00 C ATOM 868 CD1 PHE A 61 -2.007 9.300 -3.839 1.00 0.00 C ATOM 869 CD2 PHE A 61 -2.859 11.552 -4.103 1.00 0.00 C ATOM 870 CE1 PHE A 61 -3.314 8.804 -3.865 1.00 0.00 C ATOM 871 CE2 PHE A 61 -4.165 11.056 -4.132 1.00 0.00 C ATOM 872 CZ PHE A 61 -4.394 9.684 -4.015 1.00 0.00 C ATOM 0 H PHE A 61 1.491 12.109 -5.468 1.00 0.00 H new ATOM 0 HA PHE A 61 1.042 9.595 -4.181 1.00 0.00 H new ATOM 0 HB2 PHE A 61 0.043 11.264 -2.962 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.344 12.235 -4.369 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -1.175 8.621 -3.726 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.685 12.614 -4.192 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.491 7.743 -3.769 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -4.998 11.734 -4.245 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.403 9.301 -4.040 1.00 0.00 H new ATOM 882 N ARG A 62 -0.975 10.377 -6.705 1.00 0.00 N ATOM 883 CA ARG A 62 -1.809 9.818 -7.764 1.00 0.00 C ATOM 884 C ARG A 62 -1.086 8.661 -8.442 1.00 0.00 C ATOM 885 O ARG A 62 -1.646 7.590 -8.627 1.00 0.00 O ATOM 886 CB ARG A 62 -2.162 10.890 -8.811 1.00 0.00 C ATOM 887 CG ARG A 62 -2.688 12.174 -8.139 1.00 0.00 C ATOM 888 CD ARG A 62 -4.166 12.027 -7.784 1.00 0.00 C ATOM 889 NE ARG A 62 -4.985 12.043 -8.989 1.00 0.00 N ATOM 890 CZ ARG A 62 -6.258 11.666 -8.961 1.00 0.00 C ATOM 891 NH1 ARG A 62 -6.800 11.282 -7.837 1.00 0.00 N ATOM 892 NH2 ARG A 62 -6.968 11.681 -10.055 1.00 0.00 N ATOM 0 H ARG A 62 -1.021 11.393 -6.622 1.00 0.00 H new ATOM 0 HA ARG A 62 -2.733 9.456 -7.312 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -1.280 11.124 -9.408 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.915 10.500 -9.495 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -2.111 12.382 -7.238 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.552 13.023 -8.808 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -4.325 11.095 -7.242 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -4.469 12.837 -7.121 1.00 0.00 H new ATOM 0 HE ARG A 62 -4.573 12.349 -9.870 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.246 11.272 -6.981 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.778 10.992 -7.815 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.546 11.982 -10.933 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -7.946 11.391 -10.032 1.00 0.00 H new ATOM 906 N HIS A 63 0.172 8.867 -8.790 1.00 0.00 N ATOM 907 CA HIS A 63 0.932 7.803 -9.425 1.00 0.00 C ATOM 908 C HIS A 63 1.441 6.822 -8.386 1.00 0.00 C ATOM 909 O HIS A 63 1.052 5.665 -8.388 1.00 0.00 O ATOM 910 CB HIS A 63 2.110 8.386 -10.199 1.00 0.00 C ATOM 911 CG HIS A 63 2.664 7.354 -11.143 1.00 0.00 C ATOM 912 ND1 HIS A 63 4.026 7.140 -11.286 1.00 0.00 N ATOM 913 CD2 HIS A 63 2.054 6.473 -12.003 1.00 0.00 C ATOM 914 CE1 HIS A 63 4.190 6.166 -12.198 1.00 0.00 C ATOM 915 NE2 HIS A 63 3.021 5.724 -12.667 1.00 0.00 N ATOM 0 H HIS A 63 0.680 9.740 -8.648 1.00 0.00 H new ATOM 0 HA HIS A 63 0.274 7.277 -10.116 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.790 9.267 -10.756 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.886 8.712 -9.506 1.00 0.00 H new ATOM 0 HD2 HIS A 63 0.987 6.377 -12.142 1.00 0.00 H new ATOM 0 HE1 HIS A 63 5.151 5.787 -12.513 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.869 4.994 -13.363 1.00 0.00 H new ATOM 924 N GLY A 64 2.317 7.290 -7.508 1.00 0.00 N ATOM 925 CA GLY A 64 2.884 6.435 -6.467 1.00 0.00 C ATOM 926 C GLY A 64 1.868 5.427 -5.936 1.00 0.00 C ATOM 927 O GLY A 64 2.227 4.292 -5.631 1.00 0.00 O ATOM 0 H GLY A 64 2.652 8.253 -7.493 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.748 5.903 -6.866 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.243 7.055 -5.645 1.00 0.00 H new ATOM 931 N PHE A 65 0.599 5.826 -5.828 1.00 0.00 N ATOM 932 CA PHE A 65 -0.415 4.893 -5.329 1.00 0.00 C ATOM 933 C PHE A 65 -0.784 3.924 -6.452 1.00 0.00 C ATOM 934 O PHE A 65 -0.970 2.737 -6.213 1.00 0.00 O ATOM 935 CB PHE A 65 -1.659 5.654 -4.756 1.00 0.00 C ATOM 936 CG PHE A 65 -2.959 5.168 -5.379 1.00 0.00 C ATOM 937 CD1 PHE A 65 -3.268 5.500 -6.702 1.00 0.00 C ATOM 938 CD2 PHE A 65 -3.846 4.381 -4.637 1.00 0.00 C ATOM 939 CE1 PHE A 65 -4.447 5.055 -7.282 1.00 0.00 C ATOM 940 CE2 PHE A 65 -5.036 3.934 -5.221 1.00 0.00 C ATOM 941 CZ PHE A 65 -5.332 4.275 -6.546 1.00 0.00 C ATOM 0 H PHE A 65 0.256 6.756 -6.070 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.011 4.319 -4.495 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -1.701 5.518 -3.675 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.546 6.723 -4.939 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -2.584 6.107 -7.276 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.613 4.119 -3.616 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.677 5.314 -8.305 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.724 3.328 -4.651 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.251 3.931 -6.998 1.00 0.00 H new ATOM 951 N ASP A 66 -0.846 4.439 -7.674 1.00 0.00 N ATOM 952 CA ASP A 66 -1.160 3.612 -8.834 1.00 0.00 C ATOM 953 C ASP A 66 -0.014 2.643 -9.100 1.00 0.00 C ATOM 954 O ASP A 66 -0.228 1.490 -9.478 1.00 0.00 O ATOM 955 CB ASP A 66 -1.370 4.507 -10.061 1.00 0.00 C ATOM 956 CG ASP A 66 -1.601 3.647 -11.298 1.00 0.00 C ATOM 957 OD1 ASP A 66 -2.169 2.577 -11.154 1.00 0.00 O ATOM 958 OD2 ASP A 66 -1.209 4.072 -12.373 1.00 0.00 O ATOM 0 H ASP A 66 -0.684 5.423 -7.888 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.071 3.047 -8.637 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.224 5.165 -9.900 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.499 5.146 -10.209 1.00 0.00 H new ATOM 963 N ILE A 67 1.203 3.128 -8.886 1.00 0.00 N ATOM 964 CA ILE A 67 2.397 2.325 -9.081 1.00 0.00 C ATOM 965 C ILE A 67 2.344 1.105 -8.185 1.00 0.00 C ATOM 966 O ILE A 67 2.314 -0.029 -8.655 1.00 0.00 O ATOM 967 CB ILE A 67 3.633 3.158 -8.734 1.00 0.00 C ATOM 968 CG1 ILE A 67 3.738 4.330 -9.715 1.00 0.00 C ATOM 969 CG2 ILE A 67 4.892 2.290 -8.829 1.00 0.00 C ATOM 970 CD1 ILE A 67 4.861 5.300 -9.301 1.00 0.00 C ATOM 0 H ILE A 67 1.386 4.082 -8.575 1.00 0.00 H new ATOM 0 HA ILE A 67 2.451 2.006 -10.122 1.00 0.00 H new ATOM 0 HB ILE A 67 3.542 3.537 -7.716 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.931 3.952 -10.719 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.788 4.863 -9.753 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.767 2.890 -8.581 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.813 1.457 -8.131 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.992 1.905 -9.844 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.913 6.122 -10.015 1.00 0.00 H new ATOM 0 HD12 ILE A 67 4.652 5.695 -8.307 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.813 4.770 -9.288 1.00 0.00 H new ATOM 982 N LEU A 68 2.316 1.355 -6.888 1.00 0.00 N ATOM 983 CA LEU A 68 2.253 0.274 -5.919 1.00 0.00 C ATOM 984 C LEU A 68 1.030 -0.596 -6.211 1.00 0.00 C ATOM 985 O LEU A 68 1.152 -1.795 -6.462 1.00 0.00 O ATOM 986 CB LEU A 68 2.181 0.856 -4.490 1.00 0.00 C ATOM 987 CG LEU A 68 3.598 0.988 -3.880 1.00 0.00 C ATOM 988 CD1 LEU A 68 4.316 2.190 -4.490 1.00 0.00 C ATOM 989 CD2 LEU A 68 3.507 1.182 -2.364 1.00 0.00 C ATOM 0 H LEU A 68 2.336 2.291 -6.483 1.00 0.00 H new ATOM 0 HA LEU A 68 3.149 -0.342 -5.994 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.698 1.833 -4.514 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.567 0.212 -3.860 1.00 0.00 H new ATOM 0 HG LEU A 68 4.154 0.076 -4.097 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.312 2.277 -4.057 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.400 2.055 -5.568 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.749 3.097 -4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.510 1.273 -1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.940 2.087 -2.146 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.006 0.324 -1.917 1.00 0.00 H new ATOM 1001 N VAL A 69 -0.145 0.022 -6.169 1.00 0.00 N ATOM 1002 CA VAL A 69 -1.390 -0.677 -6.420 1.00 0.00 C ATOM 1003 C VAL A 69 -1.343 -1.428 -7.749 1.00 0.00 C ATOM 1004 O VAL A 69 -2.071 -2.400 -7.947 1.00 0.00 O ATOM 1005 CB VAL A 69 -2.515 0.354 -6.432 1.00 0.00 C ATOM 1006 CG1 VAL A 69 -3.822 -0.310 -6.813 1.00 0.00 C ATOM 1007 CG2 VAL A 69 -2.649 0.981 -5.037 1.00 0.00 C ATOM 0 H VAL A 69 -0.256 1.014 -5.961 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.559 -1.417 -5.637 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.281 1.129 -7.162 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.619 0.433 -6.819 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.730 -0.752 -7.805 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.058 -1.090 -6.089 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.452 1.718 -5.045 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.877 0.203 -4.309 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.713 1.468 -4.766 1.00 0.00 H new ATOM 1017 N GLY A 70 -0.482 -0.976 -8.654 1.00 0.00 N ATOM 1018 CA GLY A 70 -0.351 -1.622 -9.957 1.00 0.00 C ATOM 1019 C GLY A 70 0.580 -2.827 -9.874 1.00 0.00 C ATOM 1020 O GLY A 70 0.337 -3.862 -10.498 1.00 0.00 O ATOM 0 H GLY A 70 0.131 -0.173 -8.513 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.332 -1.939 -10.311 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.035 -0.908 -10.685 1.00 0.00 H new ATOM 1024 N GLN A 71 1.642 -2.688 -9.089 1.00 0.00 N ATOM 1025 CA GLN A 71 2.601 -3.772 -8.921 1.00 0.00 C ATOM 1026 C GLN A 71 2.057 -4.781 -7.926 1.00 0.00 C ATOM 1027 O GLN A 71 2.157 -5.991 -8.127 1.00 0.00 O ATOM 1028 CB GLN A 71 3.935 -3.214 -8.428 1.00 0.00 C ATOM 1029 CG GLN A 71 4.467 -2.212 -9.451 1.00 0.00 C ATOM 1030 CD GLN A 71 5.602 -1.393 -8.853 1.00 0.00 C ATOM 1031 OE1 GLN A 71 6.575 -1.087 -9.542 1.00 0.00 O ATOM 1032 NE2 GLN A 71 5.542 -1.018 -7.608 1.00 0.00 N ATOM 0 H GLN A 71 1.859 -1.842 -8.563 1.00 0.00 H new ATOM 0 HA GLN A 71 2.760 -4.266 -9.880 1.00 0.00 H new ATOM 0 HB2 GLN A 71 3.805 -2.730 -7.460 1.00 0.00 H new ATOM 0 HB3 GLN A 71 4.652 -4.023 -8.286 1.00 0.00 H new ATOM 0 HG2 GLN A 71 4.819 -2.740 -10.337 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.663 -1.550 -9.773 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.736 -1.272 -7.037 1.00 0.00 H new ATOM 0 HE22 GLN A 71 6.301 -0.470 -7.203 1.00 0.00 H new ATOM 1041 N ILE A 72 1.450 -4.267 -6.864 1.00 0.00 N ATOM 1042 CA ILE A 72 0.849 -5.120 -5.840 1.00 0.00 C ATOM 1043 C ILE A 72 0.090 -6.259 -6.530 1.00 0.00 C ATOM 1044 O ILE A 72 0.382 -7.441 -6.322 1.00 0.00 O ATOM 1045 CB ILE A 72 -0.088 -4.249 -4.961 1.00 0.00 C ATOM 1046 CG1 ILE A 72 0.693 -3.689 -3.752 1.00 0.00 C ATOM 1047 CG2 ILE A 72 -1.298 -5.051 -4.451 1.00 0.00 C ATOM 1048 CD1 ILE A 72 0.061 -2.376 -3.291 1.00 0.00 C ATOM 0 H ILE A 72 1.360 -3.267 -6.687 1.00 0.00 H new ATOM 0 HA ILE A 72 1.608 -5.563 -5.195 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.454 -3.432 -5.583 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.687 -4.412 -2.937 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.736 -3.525 -4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.930 -4.407 -3.840 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.872 -5.423 -5.300 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.950 -5.892 -3.852 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.616 -1.985 -2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.091 -1.652 -4.106 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.975 -2.553 -3.000 1.00 0.00 H new ATOM 1060 N ASP A 73 -0.858 -5.888 -7.380 1.00 0.00 N ATOM 1061 CA ASP A 73 -1.614 -6.883 -8.121 1.00 0.00 C ATOM 1062 C ASP A 73 -0.642 -7.742 -8.920 1.00 0.00 C ATOM 1063 O ASP A 73 -0.613 -8.964 -8.776 1.00 0.00 O ATOM 1064 CB ASP A 73 -2.603 -6.201 -9.068 1.00 0.00 C ATOM 1065 CG ASP A 73 -3.418 -7.250 -9.815 1.00 0.00 C ATOM 1066 OD1 ASP A 73 -4.338 -7.792 -9.222 1.00 0.00 O ATOM 1067 OD2 ASP A 73 -3.111 -7.499 -10.969 1.00 0.00 O ATOM 0 H ASP A 73 -1.118 -4.920 -7.570 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.176 -7.506 -7.425 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.267 -5.547 -8.504 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.065 -5.573 -9.778 1.00 0.00 H new ATOM 1072 N ASP A 74 0.170 -7.084 -9.750 1.00 0.00 N ATOM 1073 CA ASP A 74 1.161 -7.780 -10.563 1.00 0.00 C ATOM 1074 C ASP A 74 1.864 -8.859 -9.745 1.00 0.00 C ATOM 1075 O ASP A 74 2.319 -9.867 -10.286 1.00 0.00 O ATOM 1076 CB ASP A 74 2.203 -6.784 -11.079 1.00 0.00 C ATOM 1077 CG ASP A 74 2.965 -7.382 -12.259 1.00 0.00 C ATOM 1078 OD1 ASP A 74 2.320 -7.773 -13.218 1.00 0.00 O ATOM 1079 OD2 ASP A 74 4.181 -7.440 -12.185 1.00 0.00 O ATOM 0 H ASP A 74 0.158 -6.072 -9.875 1.00 0.00 H new ATOM 0 HA ASP A 74 0.648 -8.247 -11.404 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.713 -5.859 -11.384 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.899 -6.528 -10.280 1.00 0.00 H new ATOM 1084 N ALA A 75 1.959 -8.632 -8.437 1.00 0.00 N ATOM 1085 CA ALA A 75 2.618 -9.587 -7.560 1.00 0.00 C ATOM 1086 C ALA A 75 1.792 -10.864 -7.462 1.00 0.00 C ATOM 1087 O ALA A 75 2.196 -11.909 -7.971 1.00 0.00 O ATOM 1088 CB ALA A 75 2.825 -8.978 -6.170 1.00 0.00 C ATOM 0 H ALA A 75 1.592 -7.804 -7.968 1.00 0.00 H new ATOM 0 HA ALA A 75 3.594 -9.832 -7.979 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.319 -9.704 -5.525 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.445 -8.085 -6.253 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.859 -8.711 -5.742 1.00 0.00 H new ATOM 1094 N LEU A 76 0.622 -10.780 -6.826 1.00 0.00 N ATOM 1095 CA LEU A 76 -0.238 -11.960 -6.716 1.00 0.00 C ATOM 1096 C LEU A 76 -0.463 -12.525 -8.104 1.00 0.00 C ATOM 1097 O LEU A 76 -0.394 -13.731 -8.321 1.00 0.00 O ATOM 1098 CB LEU A 76 -1.593 -11.596 -6.108 1.00 0.00 C ATOM 1099 CG LEU A 76 -2.424 -12.873 -5.834 1.00 0.00 C ATOM 1100 CD1 LEU A 76 -2.039 -13.473 -4.475 1.00 0.00 C ATOM 1101 CD2 LEU A 76 -3.914 -12.515 -5.815 1.00 0.00 C ATOM 0 H LEU A 76 0.256 -9.933 -6.391 1.00 0.00 H new ATOM 0 HA LEU A 76 0.249 -12.691 -6.070 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.445 -11.045 -5.179 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.138 -10.939 -6.786 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.223 -13.601 -6.620 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.630 -14.371 -4.293 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -0.980 -13.730 -4.478 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.233 -12.745 -3.688 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.501 -13.413 -5.622 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.102 -11.783 -5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.200 -12.095 -6.779 1.00 0.00 H new ATOM 1113 N LYS A 77 -0.715 -11.622 -9.042 1.00 0.00 N ATOM 1114 CA LYS A 77 -0.935 -11.989 -10.433 1.00 0.00 C ATOM 1115 C LYS A 77 0.060 -13.078 -10.829 1.00 0.00 C ATOM 1116 O LYS A 77 -0.316 -14.131 -11.336 1.00 0.00 O ATOM 1117 CB LYS A 77 -0.744 -10.723 -11.282 1.00 0.00 C ATOM 1118 CG LYS A 77 -1.308 -10.901 -12.700 1.00 0.00 C ATOM 1119 CD LYS A 77 -0.302 -11.674 -13.599 1.00 0.00 C ATOM 1120 CE LYS A 77 -0.935 -12.980 -14.099 1.00 0.00 C ATOM 1121 NZ LYS A 77 -1.960 -12.669 -15.136 1.00 0.00 N ATOM 0 H LYS A 77 -0.772 -10.620 -8.861 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.939 -12.383 -10.589 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.238 -9.881 -10.797 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.317 -10.480 -11.340 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -2.253 -11.442 -12.655 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -1.519 -9.925 -13.138 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -0.010 -11.055 -14.447 1.00 0.00 H new ATOM 0 HD3 LYS A 77 0.606 -11.893 -13.037 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.168 -13.633 -14.515 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -1.394 -13.516 -13.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -2.390 -13.553 -15.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.697 -12.062 -14.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.509 -12.175 -15.932 1.00 0.00 H new ATOM 1135 N LEU A 78 1.329 -12.821 -10.565 1.00 0.00 N ATOM 1136 CA LEU A 78 2.374 -13.793 -10.873 1.00 0.00 C ATOM 1137 C LEU A 78 2.126 -15.097 -10.099 1.00 0.00 C ATOM 1138 O LEU A 78 1.972 -16.159 -10.696 1.00 0.00 O ATOM 1139 CB LEU A 78 3.758 -13.212 -10.520 1.00 0.00 C ATOM 1140 CG LEU A 78 4.831 -13.809 -11.440 1.00 0.00 C ATOM 1141 CD1 LEU A 78 6.203 -13.229 -11.081 1.00 0.00 C ATOM 1142 CD2 LEU A 78 4.856 -15.333 -11.276 1.00 0.00 C ATOM 0 H LEU A 78 1.663 -11.956 -10.141 1.00 0.00 H new ATOM 0 HA LEU A 78 2.351 -14.012 -11.940 1.00 0.00 H new ATOM 0 HB2 LEU A 78 3.742 -12.127 -10.623 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.998 -13.430 -9.479 1.00 0.00 H new ATOM 0 HG LEU A 78 4.597 -13.560 -12.475 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.962 -13.656 -11.737 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.184 -12.146 -11.205 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.441 -13.472 -10.045 1.00 0.00 H new ATOM 0 HD21 LEU A 78 5.618 -15.757 -11.930 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.086 -15.584 -10.240 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.882 -15.744 -11.541 1.00 0.00 H new ATOM 1154 N ALA A 79 2.073 -15.004 -8.771 1.00 0.00 N ATOM 1155 CA ALA A 79 1.823 -16.184 -7.939 1.00 0.00 C ATOM 1156 C ALA A 79 0.516 -16.844 -8.353 1.00 0.00 C ATOM 1157 O ALA A 79 0.283 -18.018 -8.063 1.00 0.00 O ATOM 1158 CB ALA A 79 1.722 -15.779 -6.468 1.00 0.00 C ATOM 0 H ALA A 79 2.198 -14.135 -8.251 1.00 0.00 H new ATOM 0 HA ALA A 79 2.650 -16.882 -8.073 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.536 -16.664 -5.859 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.656 -15.312 -6.154 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.902 -15.072 -6.341 1.00 0.00 H new ATOM 1164 N ASN A 80 -0.334 -16.083 -9.036 1.00 0.00 N ATOM 1165 CA ASN A 80 -1.610 -16.611 -9.485 1.00 0.00 C ATOM 1166 C ASN A 80 -1.380 -17.532 -10.677 1.00 0.00 C ATOM 1167 O ASN A 80 -2.159 -18.448 -10.934 1.00 0.00 O ATOM 1168 CB ASN A 80 -2.560 -15.468 -9.876 1.00 0.00 C ATOM 1169 CG ASN A 80 -4.012 -15.935 -9.797 1.00 0.00 C ATOM 1170 OD1 ASN A 80 -4.292 -17.124 -9.957 1.00 0.00 O ATOM 1171 ND2 ASN A 80 -4.957 -15.067 -9.560 1.00 0.00 N ATOM 0 H ASN A 80 -0.162 -15.109 -9.287 1.00 0.00 H new ATOM 0 HA ASN A 80 -2.070 -17.173 -8.672 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.408 -14.617 -9.212 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -2.335 -15.128 -10.887 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -5.929 -15.373 -9.507 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.724 -14.083 -9.428 1.00 0.00 H new ATOM 1178 N GLU A 81 -0.288 -17.277 -11.399 1.00 0.00 N ATOM 1179 CA GLU A 81 0.054 -18.085 -12.560 1.00 0.00 C ATOM 1180 C GLU A 81 0.572 -19.444 -12.129 1.00 0.00 C ATOM 1181 O GLU A 81 0.082 -20.476 -12.589 1.00 0.00 O ATOM 1182 CB GLU A 81 1.129 -17.404 -13.406 1.00 0.00 C ATOM 1183 CG GLU A 81 0.583 -16.106 -13.986 1.00 0.00 C ATOM 1184 CD GLU A 81 1.684 -15.387 -14.762 1.00 0.00 C ATOM 1185 OE1 GLU A 81 1.989 -15.823 -15.859 1.00 0.00 O ATOM 1186 OE2 GLU A 81 2.202 -14.411 -14.247 1.00 0.00 O ATOM 0 H GLU A 81 0.368 -16.522 -11.199 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.854 -18.203 -13.152 1.00 0.00 H new ATOM 0 HB2 GLU A 81 2.009 -17.199 -12.796 1.00 0.00 H new ATOM 0 HB3 GLU A 81 1.446 -18.068 -14.210 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -0.261 -16.316 -14.643 1.00 0.00 H new ATOM 0 HG3 GLU A 81 0.212 -15.466 -13.185 1.00 0.00 H new ATOM 1193 N GLY A 82 1.587 -19.451 -11.258 1.00 0.00 N ATOM 1194 CA GLY A 82 2.161 -20.709 -10.809 1.00 0.00 C ATOM 1195 C GLY A 82 2.710 -20.647 -9.385 1.00 0.00 C ATOM 1196 O GLY A 82 2.048 -21.080 -8.442 1.00 0.00 O ATOM 0 H GLY A 82 2.016 -18.615 -10.861 1.00 0.00 H new ATOM 0 HA2 GLY A 82 1.401 -21.488 -10.864 1.00 0.00 H new ATOM 0 HA3 GLY A 82 2.963 -20.998 -11.488 1.00 0.00 H new ATOM 1200 N LYS A 83 3.962 -20.195 -9.244 1.00 0.00 N ATOM 1201 CA LYS A 83 4.630 -20.190 -7.929 1.00 0.00 C ATOM 1202 C LYS A 83 4.815 -18.803 -7.299 1.00 0.00 C ATOM 1203 O LYS A 83 5.144 -17.807 -7.960 1.00 0.00 O ATOM 1204 CB LYS A 83 5.996 -20.873 -8.098 1.00 0.00 C ATOM 1205 CG LYS A 83 6.761 -20.975 -6.760 1.00 0.00 C ATOM 1206 CD LYS A 83 6.016 -21.835 -5.717 1.00 0.00 C ATOM 1207 CE LYS A 83 5.581 -23.173 -6.326 1.00 0.00 C ATOM 1208 NZ LYS A 83 5.355 -24.162 -5.234 1.00 0.00 N ATOM 0 H LYS A 83 4.529 -19.832 -10.010 1.00 0.00 H new ATOM 0 HA LYS A 83 3.978 -20.724 -7.237 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.853 -21.872 -8.511 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.595 -20.313 -8.816 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.747 -21.402 -6.941 1.00 0.00 H new ATOM 0 HG3 LYS A 83 6.916 -19.974 -6.357 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.663 -22.014 -4.858 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.142 -21.296 -5.351 1.00 0.00 H new ATOM 0 HE2 LYS A 83 4.668 -23.041 -6.907 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.345 -23.539 -7.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.060 -25.071 -5.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.236 -24.294 -4.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 4.611 -23.812 -4.597 1.00 0.00 H new ATOM 1222 N VAL A 84 4.631 -18.785 -5.978 1.00 0.00 N ATOM 1223 CA VAL A 84 4.791 -17.577 -5.181 1.00 0.00 C ATOM 1224 C VAL A 84 6.261 -17.162 -5.137 1.00 0.00 C ATOM 1225 O VAL A 84 6.587 -15.992 -5.286 1.00 0.00 O ATOM 1226 CB VAL A 84 4.295 -17.847 -3.753 1.00 0.00 C ATOM 1227 CG1 VAL A 84 4.639 -16.658 -2.848 1.00 0.00 C ATOM 1228 CG2 VAL A 84 2.770 -18.077 -3.755 1.00 0.00 C ATOM 0 H VAL A 84 4.368 -19.608 -5.435 1.00 0.00 H new ATOM 0 HA VAL A 84 4.211 -16.772 -5.632 1.00 0.00 H new ATOM 0 HB VAL A 84 4.788 -18.742 -3.373 1.00 0.00 H new ATOM 0 HG11 VAL A 84 4.284 -16.856 -1.837 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.719 -16.514 -2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 84 4.158 -15.758 -3.231 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.429 -18.268 -2.737 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.269 -17.191 -4.145 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.532 -18.935 -4.384 1.00 0.00 H new ATOM 1238 N LYS A 85 7.141 -18.137 -4.927 1.00 0.00 N ATOM 1239 CA LYS A 85 8.576 -17.871 -4.863 1.00 0.00 C ATOM 1240 C LYS A 85 9.008 -16.973 -6.016 1.00 0.00 C ATOM 1241 O LYS A 85 9.884 -16.123 -5.860 1.00 0.00 O ATOM 1242 CB LYS A 85 9.362 -19.188 -4.922 1.00 0.00 C ATOM 1243 CG LYS A 85 8.935 -20.117 -3.767 1.00 0.00 C ATOM 1244 CD LYS A 85 9.736 -19.795 -2.484 1.00 0.00 C ATOM 1245 CE LYS A 85 11.005 -20.657 -2.415 1.00 0.00 C ATOM 1246 NZ LYS A 85 11.677 -20.672 -3.746 1.00 0.00 N ATOM 0 H LYS A 85 6.887 -19.116 -4.798 1.00 0.00 H new ATOM 0 HA LYS A 85 8.786 -17.365 -3.921 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.188 -19.681 -5.878 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.431 -18.985 -4.858 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.868 -20.001 -3.575 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.096 -21.157 -4.051 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.005 -18.739 -2.471 1.00 0.00 H new ATOM 0 HD3 LYS A 85 9.117 -19.977 -1.606 1.00 0.00 H new ATOM 0 HE2 LYS A 85 11.684 -20.262 -1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.750 -21.673 -2.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.545 -21.243 -3.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.036 -21.084 -4.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 11.920 -19.699 -4.023 1.00 0.00 H new ATOM 1260 N GLU A 86 8.372 -17.155 -7.167 1.00 0.00 N ATOM 1261 CA GLU A 86 8.686 -16.339 -8.335 1.00 0.00 C ATOM 1262 C GLU A 86 8.082 -14.965 -8.140 1.00 0.00 C ATOM 1263 O GLU A 86 8.607 -13.957 -8.612 1.00 0.00 O ATOM 1264 CB GLU A 86 8.115 -16.976 -9.604 1.00 0.00 C ATOM 1265 CG GLU A 86 8.732 -18.359 -9.800 1.00 0.00 C ATOM 1266 CD GLU A 86 8.155 -19.016 -11.049 1.00 0.00 C ATOM 1267 OE1 GLU A 86 8.166 -18.379 -12.089 1.00 0.00 O ATOM 1268 OE2 GLU A 86 7.713 -20.149 -10.948 1.00 0.00 O ATOM 0 H GLU A 86 7.643 -17.853 -7.317 1.00 0.00 H new ATOM 0 HA GLU A 86 9.768 -16.265 -8.445 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.031 -17.057 -9.527 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.327 -16.346 -10.468 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.815 -18.273 -9.891 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.534 -18.981 -8.927 1.00 0.00 H new ATOM 1275 N ALA A 87 6.977 -14.947 -7.411 1.00 0.00 N ATOM 1276 CA ALA A 87 6.283 -13.701 -7.107 1.00 0.00 C ATOM 1277 C ALA A 87 6.958 -13.004 -5.929 1.00 0.00 C ATOM 1278 O ALA A 87 7.293 -11.822 -6.007 1.00 0.00 O ATOM 1279 CB ALA A 87 4.823 -13.986 -6.772 1.00 0.00 C ATOM 0 H ALA A 87 6.540 -15.780 -7.018 1.00 0.00 H new ATOM 0 HA ALA A 87 6.327 -13.049 -7.980 1.00 0.00 H new ATOM 0 HB1 ALA A 87 4.312 -13.050 -6.546 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.341 -14.466 -7.624 1.00 0.00 H new ATOM 0 HB3 ALA A 87 4.771 -14.646 -5.906 1.00 0.00 H new ATOM 1285 N GLN A 88 7.175 -13.747 -4.842 1.00 0.00 N ATOM 1286 CA GLN A 88 7.833 -13.189 -3.667 1.00 0.00 C ATOM 1287 C GLN A 88 9.094 -12.458 -4.115 1.00 0.00 C ATOM 1288 O GLN A 88 9.450 -11.409 -3.577 1.00 0.00 O ATOM 1289 CB GLN A 88 8.116 -14.316 -2.634 1.00 0.00 C ATOM 1290 CG GLN A 88 9.551 -14.871 -2.747 1.00 0.00 C ATOM 1291 CD GLN A 88 10.514 -13.980 -1.981 1.00 0.00 C ATOM 1292 OE1 GLN A 88 11.609 -14.405 -1.614 1.00 0.00 O ATOM 1293 NE2 GLN A 88 10.158 -12.763 -1.724 1.00 0.00 N ATOM 0 H GLN A 88 6.906 -14.727 -4.754 1.00 0.00 H new ATOM 0 HA GLN A 88 7.191 -12.465 -3.165 1.00 0.00 H new ATOM 0 HB2 GLN A 88 7.957 -13.930 -1.627 1.00 0.00 H new ATOM 0 HB3 GLN A 88 7.403 -15.127 -2.781 1.00 0.00 H new ATOM 0 HG2 GLN A 88 9.589 -15.886 -2.352 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.847 -14.925 -3.795 1.00 0.00 H new ATOM 0 HE21 GLN A 88 9.248 -12.422 -2.033 1.00 0.00 H new ATOM 0 HE22 GLN A 88 10.787 -12.145 -1.212 1.00 0.00 H new ATOM 1302 N ALA A 89 9.733 -12.997 -5.146 1.00 0.00 N ATOM 1303 CA ALA A 89 10.914 -12.367 -5.701 1.00 0.00 C ATOM 1304 C ALA A 89 10.461 -11.169 -6.514 1.00 0.00 C ATOM 1305 O ALA A 89 11.040 -10.080 -6.435 1.00 0.00 O ATOM 1306 CB ALA A 89 11.676 -13.351 -6.593 1.00 0.00 C ATOM 0 H ALA A 89 9.453 -13.862 -5.608 1.00 0.00 H new ATOM 0 HA ALA A 89 11.584 -12.054 -4.901 1.00 0.00 H new ATOM 0 HB1 ALA A 89 12.560 -12.862 -7.002 1.00 0.00 H new ATOM 0 HB2 ALA A 89 11.980 -14.216 -6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.031 -13.676 -7.409 1.00 0.00 H new ATOM 1312 N ALA A 90 9.385 -11.367 -7.274 1.00 0.00 N ATOM 1313 CA ALA A 90 8.840 -10.279 -8.066 1.00 0.00 C ATOM 1314 C ALA A 90 8.458 -9.135 -7.136 1.00 0.00 C ATOM 1315 O ALA A 90 8.290 -7.997 -7.564 1.00 0.00 O ATOM 1316 CB ALA A 90 7.608 -10.750 -8.846 1.00 0.00 C ATOM 0 H ALA A 90 8.886 -12.253 -7.354 1.00 0.00 H new ATOM 0 HA ALA A 90 9.591 -9.941 -8.781 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.212 -9.923 -9.434 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.889 -11.567 -9.511 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.846 -11.096 -8.148 1.00 0.00 H new ATOM 1322 N ALA A 91 8.327 -9.459 -5.851 1.00 0.00 N ATOM 1323 CA ALA A 91 7.964 -8.465 -4.848 1.00 0.00 C ATOM 1324 C ALA A 91 9.188 -7.654 -4.420 1.00 0.00 C ATOM 1325 O ALA A 91 9.103 -6.439 -4.213 1.00 0.00 O ATOM 1326 CB ALA A 91 7.350 -9.157 -3.628 1.00 0.00 C ATOM 0 H ALA A 91 8.467 -10.400 -5.482 1.00 0.00 H new ATOM 0 HA ALA A 91 7.233 -7.785 -5.286 1.00 0.00 H new ATOM 0 HB1 ALA A 91 7.081 -8.409 -2.882 1.00 0.00 H new ATOM 0 HB2 ALA A 91 6.458 -9.704 -3.931 1.00 0.00 H new ATOM 0 HB3 ALA A 91 8.074 -9.851 -3.201 1.00 0.00 H new ATOM 1332 N GLU A 92 10.323 -8.335 -4.280 1.00 0.00 N ATOM 1333 CA GLU A 92 11.551 -7.667 -3.867 1.00 0.00 C ATOM 1334 C GLU A 92 11.881 -6.509 -4.816 1.00 0.00 C ATOM 1335 O GLU A 92 12.331 -5.439 -4.384 1.00 0.00 O ATOM 1336 CB GLU A 92 12.713 -8.692 -3.795 1.00 0.00 C ATOM 1337 CG GLU A 92 13.545 -8.706 -5.089 1.00 0.00 C ATOM 1338 CD GLU A 92 14.492 -9.900 -5.086 1.00 0.00 C ATOM 1339 OE1 GLU A 92 14.030 -10.998 -4.823 1.00 0.00 O ATOM 1340 OE2 GLU A 92 15.666 -9.700 -5.348 1.00 0.00 O ATOM 0 H GLU A 92 10.416 -9.337 -4.445 1.00 0.00 H new ATOM 0 HA GLU A 92 11.409 -7.244 -2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.359 -8.450 -2.951 1.00 0.00 H new ATOM 0 HB3 GLU A 92 12.308 -9.688 -3.612 1.00 0.00 H new ATOM 0 HG2 GLU A 92 12.885 -8.757 -5.955 1.00 0.00 H new ATOM 0 HG3 GLU A 92 14.114 -7.780 -5.176 1.00 0.00 H new ATOM 1347 N GLN A 93 11.667 -6.732 -6.111 1.00 0.00 N ATOM 1348 CA GLN A 93 11.970 -5.701 -7.100 1.00 0.00 C ATOM 1349 C GLN A 93 11.028 -4.504 -6.978 1.00 0.00 C ATOM 1350 O GLN A 93 11.280 -3.453 -7.570 1.00 0.00 O ATOM 1351 CB GLN A 93 11.888 -6.281 -8.514 1.00 0.00 C ATOM 1352 CG GLN A 93 10.577 -7.042 -8.681 1.00 0.00 C ATOM 1353 CD GLN A 93 10.419 -7.495 -10.128 1.00 0.00 C ATOM 1354 OE1 GLN A 93 11.396 -7.889 -10.765 1.00 0.00 O ATOM 1355 NE2 GLN A 93 9.243 -7.463 -10.689 1.00 0.00 N ATOM 0 H GLN A 93 11.292 -7.600 -6.494 1.00 0.00 H new ATOM 0 HA GLN A 93 12.985 -5.352 -6.907 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.951 -5.480 -9.250 1.00 0.00 H new ATOM 0 HB3 GLN A 93 12.732 -6.947 -8.694 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.561 -7.906 -8.017 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.739 -6.406 -8.397 1.00 0.00 H new ATOM 0 HE21 GLN A 93 8.434 -7.136 -10.160 1.00 0.00 H new ATOM 0 HE22 GLN A 93 9.131 -7.765 -11.657 1.00 0.00 H new ATOM 1364 N LEU A 94 9.957 -4.640 -6.195 1.00 0.00 N ATOM 1365 CA LEU A 94 9.028 -3.526 -6.020 1.00 0.00 C ATOM 1366 C LEU A 94 9.545 -2.620 -4.929 1.00 0.00 C ATOM 1367 O LEU A 94 9.674 -1.411 -5.116 1.00 0.00 O ATOM 1368 CB LEU A 94 7.631 -4.027 -5.642 1.00 0.00 C ATOM 1369 CG LEU A 94 7.156 -5.089 -6.640 1.00 0.00 C ATOM 1370 CD1 LEU A 94 5.704 -5.471 -6.323 1.00 0.00 C ATOM 1371 CD2 LEU A 94 7.244 -4.545 -8.073 1.00 0.00 C ATOM 0 H LEU A 94 9.716 -5.489 -5.684 1.00 0.00 H new ATOM 0 HA LEU A 94 8.955 -2.983 -6.962 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.648 -4.446 -4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.930 -3.193 -5.628 1.00 0.00 H new ATOM 0 HG LEU A 94 7.794 -5.969 -6.557 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.364 -6.226 -7.031 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.646 -5.871 -5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.070 -4.588 -6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.904 -5.308 -8.773 1.00 0.00 H new ATOM 0 HD22 LEU A 94 6.614 -3.661 -8.166 1.00 0.00 H new ATOM 0 HD23 LEU A 94 8.277 -4.280 -8.299 1.00 0.00 H new ATOM 1383 N LYS A 95 9.866 -3.218 -3.791 1.00 0.00 N ATOM 1384 CA LYS A 95 10.394 -2.452 -2.673 1.00 0.00 C ATOM 1385 C LYS A 95 11.506 -1.540 -3.170 1.00 0.00 C ATOM 1386 O LYS A 95 11.651 -0.407 -2.719 1.00 0.00 O ATOM 1387 CB LYS A 95 10.921 -3.395 -1.586 1.00 0.00 C ATOM 1388 CG LYS A 95 9.974 -4.612 -1.437 1.00 0.00 C ATOM 1389 CD LYS A 95 9.888 -5.060 0.022 1.00 0.00 C ATOM 1390 CE LYS A 95 11.232 -5.650 0.481 1.00 0.00 C ATOM 1391 NZ LYS A 95 11.252 -7.113 0.200 1.00 0.00 N ATOM 0 H LYS A 95 9.772 -4.219 -3.619 1.00 0.00 H new ATOM 0 HA LYS A 95 9.598 -1.845 -2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 95 11.925 -3.734 -1.842 1.00 0.00 H new ATOM 0 HB3 LYS A 95 10.996 -2.864 -0.637 1.00 0.00 H new ATOM 0 HG2 LYS A 95 8.980 -4.351 -1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 95 10.334 -5.435 -2.054 1.00 0.00 H new ATOM 0 HD2 LYS A 95 9.620 -4.213 0.654 1.00 0.00 H new ATOM 0 HD3 LYS A 95 9.099 -5.804 0.135 1.00 0.00 H new ATOM 0 HE2 LYS A 95 12.054 -5.158 -0.038 1.00 0.00 H new ATOM 0 HE3 LYS A 95 11.375 -5.471 1.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 12.225 -7.469 0.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 10.642 -7.606 0.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 10.902 -7.286 -0.764 1.00 0.00 H new ATOM 1405 N THR A 96 12.276 -2.037 -4.127 1.00 0.00 N ATOM 1406 CA THR A 96 13.351 -1.236 -4.697 1.00 0.00 C ATOM 1407 C THR A 96 12.761 -0.135 -5.574 1.00 0.00 C ATOM 1408 O THR A 96 13.281 0.978 -5.633 1.00 0.00 O ATOM 1409 CB THR A 96 14.263 -2.114 -5.545 1.00 0.00 C ATOM 1410 OG1 THR A 96 14.517 -3.335 -4.862 1.00 0.00 O ATOM 1411 CG2 THR A 96 15.584 -1.388 -5.810 1.00 0.00 C ATOM 0 H THR A 96 12.181 -2.973 -4.520 1.00 0.00 H new ATOM 0 HA THR A 96 13.928 -0.792 -3.886 1.00 0.00 H new ATOM 0 HB THR A 96 13.775 -2.325 -6.496 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.102 -3.900 -5.409 1.00 0.00 H new ATOM 0 HG21 THR A 96 16.232 -2.021 -6.417 1.00 0.00 H new ATOM 0 HG22 THR A 96 15.387 -0.456 -6.340 1.00 0.00 H new ATOM 0 HG23 THR A 96 16.075 -1.169 -4.862 1.00 0.00 H new ATOM 1419 N THR A 97 11.669 -0.464 -6.260 1.00 0.00 N ATOM 1420 CA THR A 97 11.012 0.494 -7.138 1.00 0.00 C ATOM 1421 C THR A 97 10.454 1.664 -6.335 1.00 0.00 C ATOM 1422 O THR A 97 10.752 2.830 -6.619 1.00 0.00 O ATOM 1423 CB THR A 97 9.874 -0.188 -7.901 1.00 0.00 C ATOM 1424 OG1 THR A 97 10.367 -1.359 -8.538 1.00 0.00 O ATOM 1425 CG2 THR A 97 9.316 0.772 -8.953 1.00 0.00 C ATOM 0 H THR A 97 11.225 -1.381 -6.224 1.00 0.00 H new ATOM 0 HA THR A 97 11.750 0.871 -7.846 1.00 0.00 H new ATOM 0 HB THR A 97 9.081 -0.460 -7.204 1.00 0.00 H new ATOM 0 HG1 THR A 97 10.596 -2.028 -7.860 1.00 0.00 H new ATOM 0 HG21 THR A 97 8.506 0.286 -9.496 1.00 0.00 H new ATOM 0 HG22 THR A 97 8.937 1.669 -8.463 1.00 0.00 H new ATOM 0 HG23 THR A 97 10.107 1.047 -9.651 1.00 0.00 H new ATOM 1433 N ILE A 98 9.647 1.357 -5.324 1.00 0.00 N ATOM 1434 CA ILE A 98 9.079 2.413 -4.511 1.00 0.00 C ATOM 1435 C ILE A 98 10.202 3.206 -3.869 1.00 0.00 C ATOM 1436 O ILE A 98 10.026 4.373 -3.525 1.00 0.00 O ATOM 1437 CB ILE A 98 8.123 1.849 -3.432 1.00 0.00 C ATOM 1438 CG1 ILE A 98 8.898 1.395 -2.181 1.00 0.00 C ATOM 1439 CG2 ILE A 98 7.356 0.654 -4.007 1.00 0.00 C ATOM 1440 CD1 ILE A 98 7.935 0.725 -1.199 1.00 0.00 C ATOM 0 H ILE A 98 9.380 0.409 -5.057 1.00 0.00 H new ATOM 0 HA ILE A 98 8.489 3.068 -5.152 1.00 0.00 H new ATOM 0 HB ILE A 98 7.432 2.641 -3.142 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.689 0.700 -2.463 1.00 0.00 H new ATOM 0 HG13 ILE A 98 9.379 2.251 -1.708 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.682 0.255 -3.249 1.00 0.00 H new ATOM 0 HG22 ILE A 98 6.778 0.975 -4.873 1.00 0.00 H new ATOM 0 HG23 ILE A 98 8.062 -0.120 -4.309 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.483 0.404 -0.314 1.00 0.00 H new ATOM 0 HD12 ILE A 98 7.160 1.434 -0.908 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.474 -0.141 -1.675 1.00 0.00 H new ATOM 1452 N ARG A 99 11.359 2.566 -3.693 1.00 0.00 N ATOM 1453 CA ARG A 99 12.467 3.260 -3.071 1.00 0.00 C ATOM 1454 C ARG A 99 12.941 4.373 -3.974 1.00 0.00 C ATOM 1455 O ARG A 99 13.434 5.392 -3.505 1.00 0.00 O ATOM 1456 CB ARG A 99 13.609 2.294 -2.733 1.00 0.00 C ATOM 1457 CG ARG A 99 14.682 3.013 -1.894 1.00 0.00 C ATOM 1458 CD ARG A 99 14.089 3.563 -0.577 1.00 0.00 C ATOM 1459 NE ARG A 99 15.009 3.316 0.530 1.00 0.00 N ATOM 1460 CZ ARG A 99 16.151 3.985 0.641 1.00 0.00 C ATOM 1461 NH1 ARG A 99 16.473 4.879 -0.251 1.00 0.00 N ATOM 1462 NH2 ARG A 99 16.954 3.745 1.642 1.00 0.00 N ATOM 0 H ARG A 99 11.543 1.600 -3.965 1.00 0.00 H new ATOM 0 HA ARG A 99 12.125 3.693 -2.131 1.00 0.00 H new ATOM 0 HB2 ARG A 99 13.220 1.438 -2.182 1.00 0.00 H new ATOM 0 HB3 ARG A 99 14.053 1.908 -3.651 1.00 0.00 H new ATOM 0 HG2 ARG A 99 15.494 2.322 -1.669 1.00 0.00 H new ATOM 0 HG3 ARG A 99 15.111 3.832 -2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.902 4.633 -0.672 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.129 3.088 -0.375 1.00 0.00 H new ATOM 0 HE ARG A 99 14.770 2.616 1.232 1.00 0.00 H new ATOM 0 HH11 ARG A 99 15.848 5.065 -1.035 1.00 0.00 H new ATOM 0 HH12 ARG A 99 17.350 5.392 -0.165 1.00 0.00 H new ATOM 0 HH21 ARG A 99 16.704 3.043 2.339 1.00 0.00 H new ATOM 0 HH22 ARG A 99 17.831 4.259 1.727 1.00 0.00 H new ATOM 1476 N ALA A 100 12.737 4.209 -5.269 1.00 0.00 N ATOM 1477 CA ALA A 100 13.104 5.259 -6.192 1.00 0.00 C ATOM 1478 C ALA A 100 12.170 6.427 -5.942 1.00 0.00 C ATOM 1479 O ALA A 100 12.588 7.581 -5.933 1.00 0.00 O ATOM 1480 CB ALA A 100 12.975 4.776 -7.639 1.00 0.00 C ATOM 0 H ALA A 100 12.328 3.377 -5.695 1.00 0.00 H new ATOM 0 HA ALA A 100 14.142 5.554 -6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 100 13.256 5.581 -8.318 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.633 3.922 -7.797 1.00 0.00 H new ATOM 0 HB3 ALA A 100 11.944 4.481 -7.833 1.00 0.00 H new ATOM 1486 N TYR A 101 10.901 6.107 -5.693 1.00 0.00 N ATOM 1487 CA TYR A 101 9.906 7.134 -5.406 1.00 0.00 C ATOM 1488 C TYR A 101 10.101 7.652 -3.972 1.00 0.00 C ATOM 1489 O TYR A 101 10.221 8.860 -3.740 1.00 0.00 O ATOM 1490 CB TYR A 101 8.483 6.541 -5.621 1.00 0.00 C ATOM 1491 CG TYR A 101 7.551 6.894 -4.474 1.00 0.00 C ATOM 1492 CD1 TYR A 101 7.190 8.227 -4.259 1.00 0.00 C ATOM 1493 CD2 TYR A 101 7.069 5.893 -3.622 1.00 0.00 C ATOM 1494 CE1 TYR A 101 6.346 8.561 -3.193 1.00 0.00 C ATOM 1495 CE2 TYR A 101 6.224 6.225 -2.557 1.00 0.00 C ATOM 1496 CZ TYR A 101 5.862 7.559 -2.342 1.00 0.00 C ATOM 1497 OH TYR A 101 5.030 7.888 -1.291 1.00 0.00 O ATOM 0 H TYR A 101 10.542 5.152 -5.685 1.00 0.00 H new ATOM 0 HA TYR A 101 10.025 7.980 -6.083 1.00 0.00 H new ATOM 0 HB2 TYR A 101 8.069 6.918 -6.556 1.00 0.00 H new ATOM 0 HB3 TYR A 101 8.550 5.457 -5.716 1.00 0.00 H new ATOM 0 HD1 TYR A 101 7.562 9.000 -4.915 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.350 4.863 -3.787 1.00 0.00 H new ATOM 0 HE1 TYR A 101 6.068 9.591 -3.027 1.00 0.00 H new ATOM 0 HE2 TYR A 101 5.852 5.452 -1.901 1.00 0.00 H new ATOM 0 HH TYR A 101 4.785 7.075 -0.801 1.00 0.00 H new ATOM 1507 N ASN A 102 10.125 6.727 -3.021 1.00 0.00 N ATOM 1508 CA ASN A 102 10.296 7.088 -1.621 1.00 0.00 C ATOM 1509 C ASN A 102 11.581 7.881 -1.423 1.00 0.00 C ATOM 1510 O ASN A 102 11.612 8.851 -0.668 1.00 0.00 O ATOM 1511 CB ASN A 102 10.332 5.824 -0.749 1.00 0.00 C ATOM 1512 CG ASN A 102 10.074 6.190 0.702 1.00 0.00 C ATOM 1513 OD1 ASN A 102 9.360 5.479 1.410 1.00 0.00 O ATOM 1514 ND2 ASN A 102 10.616 7.265 1.185 1.00 0.00 N ATOM 0 H ASN A 102 10.029 5.726 -3.193 1.00 0.00 H new ATOM 0 HA ASN A 102 9.451 7.708 -1.323 1.00 0.00 H new ATOM 0 HB2 ASN A 102 9.581 5.113 -1.093 1.00 0.00 H new ATOM 0 HB3 ASN A 102 11.301 5.334 -0.843 1.00 0.00 H new ATOM 0 HD21 ASN A 102 10.452 7.526 2.157 1.00 0.00 H new ATOM 0 HD22 ASN A 102 11.206 7.849 0.593 1.00 0.00 H new ATOM 1521 N GLN A 103 12.643 7.462 -2.105 1.00 0.00 N ATOM 1522 CA GLN A 103 13.926 8.144 -1.986 1.00 0.00 C ATOM 1523 C GLN A 103 13.945 9.400 -2.832 1.00 0.00 C ATOM 1524 O GLN A 103 14.540 10.405 -2.445 1.00 0.00 O ATOM 1525 CB GLN A 103 15.054 7.232 -2.452 1.00 0.00 C ATOM 1526 CG GLN A 103 16.411 7.850 -2.095 1.00 0.00 C ATOM 1527 CD GLN A 103 17.510 6.801 -2.227 1.00 0.00 C ATOM 1528 OE1 GLN A 103 18.255 6.558 -1.277 1.00 0.00 O ATOM 1529 NE2 GLN A 103 17.657 6.159 -3.354 1.00 0.00 N ATOM 0 H GLN A 103 12.641 6.663 -2.739 1.00 0.00 H new ATOM 0 HA GLN A 103 14.067 8.407 -0.938 1.00 0.00 H new ATOM 0 HB2 GLN A 103 14.957 6.252 -1.984 1.00 0.00 H new ATOM 0 HB3 GLN A 103 14.987 7.079 -3.529 1.00 0.00 H new ATOM 0 HG2 GLN A 103 16.621 8.694 -2.753 1.00 0.00 H new ATOM 0 HG3 GLN A 103 16.387 8.238 -1.077 1.00 0.00 H new ATOM 0 HE21 GLN A 103 17.039 6.361 -4.140 1.00 0.00 H new ATOM 0 HE22 GLN A 103 18.389 5.455 -3.448 1.00 0.00 H new ATOM 1538 N LYS A 104 13.298 9.338 -3.998 1.00 0.00 N ATOM 1539 CA LYS A 104 13.266 10.501 -4.891 1.00 0.00 C ATOM 1540 C LYS A 104 13.017 11.752 -4.063 1.00 0.00 C ATOM 1541 O LYS A 104 13.725 12.750 -4.186 1.00 0.00 O ATOM 1542 CB LYS A 104 12.166 10.347 -5.969 1.00 0.00 C ATOM 1543 CG LYS A 104 11.743 11.731 -6.527 1.00 0.00 C ATOM 1544 CD LYS A 104 11.187 11.595 -7.951 1.00 0.00 C ATOM 1545 CE LYS A 104 9.839 10.874 -7.906 1.00 0.00 C ATOM 1546 NZ LYS A 104 8.873 11.680 -7.108 1.00 0.00 N ATOM 0 H LYS A 104 12.800 8.517 -4.341 1.00 0.00 H new ATOM 0 HA LYS A 104 14.224 10.579 -5.405 1.00 0.00 H new ATOM 0 HB2 LYS A 104 12.532 9.719 -6.781 1.00 0.00 H new ATOM 0 HB3 LYS A 104 11.300 9.842 -5.541 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.989 12.175 -5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.599 12.405 -6.529 1.00 0.00 H new ATOM 0 HD2 LYS A 104 11.070 12.580 -8.402 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.888 11.040 -8.575 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.459 10.727 -8.917 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.958 9.885 -7.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 7.972 11.751 -7.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.712 11.220 -6.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.260 12.633 -6.955 1.00 0.00 H new ATOM 1560 N TYR A 105 11.992 11.679 -3.222 1.00 0.00 N ATOM 1561 CA TYR A 105 11.632 12.813 -2.366 1.00 0.00 C ATOM 1562 C TYR A 105 12.118 12.576 -0.937 1.00 0.00 C ATOM 1563 O TYR A 105 12.324 13.524 -0.178 1.00 0.00 O ATOM 1564 CB TYR A 105 10.093 13.013 -2.384 1.00 0.00 C ATOM 1565 CG TYR A 105 9.746 14.250 -3.194 1.00 0.00 C ATOM 1566 CD1 TYR A 105 10.173 15.510 -2.756 1.00 0.00 C ATOM 1567 CD2 TYR A 105 9.029 14.134 -4.392 1.00 0.00 C ATOM 1568 CE1 TYR A 105 9.878 16.650 -3.512 1.00 0.00 C ATOM 1569 CE2 TYR A 105 8.741 15.270 -5.147 1.00 0.00 C ATOM 1570 CZ TYR A 105 9.162 16.531 -4.709 1.00 0.00 C ATOM 1571 OH TYR A 105 8.878 17.653 -5.458 1.00 0.00 O ATOM 0 H TYR A 105 11.398 10.857 -3.112 1.00 0.00 H new ATOM 0 HA TYR A 105 12.113 13.713 -2.748 1.00 0.00 H new ATOM 0 HB2 TYR A 105 9.608 12.137 -2.815 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.718 13.117 -1.366 1.00 0.00 H new ATOM 0 HD1 TYR A 105 10.730 15.602 -1.835 1.00 0.00 H new ATOM 0 HD2 TYR A 105 8.699 13.163 -4.731 1.00 0.00 H new ATOM 0 HE1 TYR A 105 10.203 17.622 -3.172 1.00 0.00 H new ATOM 0 HE2 TYR A 105 8.192 15.177 -6.072 1.00 0.00 H new ATOM 0 HH TYR A 105 8.830 17.410 -6.406 1.00 0.00 H new ATOM 1581 N GLY A 106 12.292 11.311 -0.578 1.00 0.00 N ATOM 1582 CA GLY A 106 12.746 10.969 0.763 1.00 0.00 C ATOM 1583 C GLY A 106 13.883 11.883 1.209 1.00 0.00 C ATOM 1584 O GLY A 106 14.086 12.002 2.406 1.00 0.00 O ATOM 1585 OXT GLY A 106 14.533 12.449 0.347 1.00 0.00 O ATOM 0 H GLY A 106 12.128 10.512 -1.190 1.00 0.00 H new ATOM 0 HA2 GLY A 106 11.915 11.050 1.463 1.00 0.00 H new ATOM 0 HA3 GLY A 106 13.080 9.932 0.783 1.00 0.00 H new