USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=14 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 Single : A 22 ASN : amide:sc= -7.5! K(o=-7.5!,f=-3.3) USER MOD Single : A 25 GLN : amide:sc= -0.0987 X(o=-0.099,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot -29:sc= 1.02 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 177:sc= 0 (180deg=-0.0041) USER MOD Single : A 41 GLN : amide:sc= -5.27! K(o=-5.3!,f=-4.6) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 138:sc= 0.509 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ -178:sc= -3.62 (180deg=-3.71) USER MOD Single : A 52 SER OG : rot 180:sc= -1.86 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0941 USER MOD Single : A 58 MET CE :methyl -146:sc= 0 (180deg=-1.09) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= -4.81! C(o=-4.8!,f=-6.1!) USER MOD Single : A 71 GLN : amide:sc= -1.13 X(o=-1.1,f=-0.83) USER MOD Single : A 77 LYS NZ :NH3+ 173:sc= 0.115 (180deg=0.105) USER MOD Single : A 80 ASN : amide:sc= -3.23! C(o=-3.2!,f=-3.6!) USER MOD Single : A 83 LYS NZ :NH3+ -113:sc= -0.758 (180deg=-2.39!) USER MOD Single : A 85 LYS NZ :NH3+ 161:sc= -0.007 (180deg=-0.199) USER MOD Single : A 88 GLN : amide:sc= -7.27! C(o=-7.3!,f=-3.7!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 82:sc= 1.22 USER MOD Single : A 97 THR OG1 : rot 77:sc= 1 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -2.47! K(o=-2.5!,f=-0.13) USER MOD Single : A 103 GLN : amide:sc= -0.0201 X(o=-0.02,f=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 130:sc= -0.458 USER MOD ----------------------------------------------------------------- ATOM 275 N ASN A 22 9.486 -17.686 7.347 1.00 0.00 N ATOM 276 CA ASN A 22 9.263 -17.184 5.990 1.00 0.00 C ATOM 277 C ASN A 22 8.006 -16.321 5.928 1.00 0.00 C ATOM 278 O ASN A 22 8.057 -15.121 6.184 1.00 0.00 O ATOM 279 CB ASN A 22 9.142 -18.356 4.998 1.00 0.00 C ATOM 280 CG ASN A 22 9.346 -17.854 3.573 1.00 0.00 C ATOM 281 OD1 ASN A 22 9.746 -18.620 2.698 1.00 0.00 O ATOM 282 ND2 ASN A 22 9.094 -16.608 3.287 1.00 0.00 N ATOM 0 HA ASN A 22 10.120 -16.569 5.713 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.883 -19.120 5.233 1.00 0.00 H new ATOM 0 HB3 ASN A 22 8.161 -18.823 5.091 1.00 0.00 H new ATOM 0 HD21 ASN A 22 9.228 -16.266 2.336 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.762 -15.975 4.015 1.00 0.00 H new ATOM 289 N ALA A 23 6.889 -16.942 5.580 1.00 0.00 N ATOM 290 CA ALA A 23 5.617 -16.236 5.466 1.00 0.00 C ATOM 291 C ALA A 23 5.424 -15.266 6.619 1.00 0.00 C ATOM 292 O ALA A 23 5.097 -14.098 6.412 1.00 0.00 O ATOM 293 CB ALA A 23 4.462 -17.239 5.444 1.00 0.00 C ATOM 0 H ALA A 23 6.836 -17.939 5.370 1.00 0.00 H new ATOM 0 HA ALA A 23 5.629 -15.669 4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.517 -16.703 5.359 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.578 -17.909 4.592 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.468 -17.821 6.366 1.00 0.00 H new ATOM 299 N ALA A 24 5.626 -15.754 7.831 1.00 0.00 N ATOM 300 CA ALA A 24 5.468 -14.912 9.009 1.00 0.00 C ATOM 301 C ALA A 24 6.428 -13.730 8.942 1.00 0.00 C ATOM 302 O ALA A 24 6.039 -12.611 8.609 1.00 0.00 O ATOM 303 CB ALA A 24 5.739 -15.725 10.276 1.00 0.00 C ATOM 0 H ALA A 24 5.897 -16.718 8.027 1.00 0.00 H new ATOM 0 HA ALA A 24 4.444 -14.538 9.036 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.618 -15.086 11.151 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.035 -16.555 10.333 1.00 0.00 H new ATOM 0 HB3 ALA A 24 6.757 -16.114 10.248 1.00 0.00 H new ATOM 309 N GLN A 25 7.687 -13.992 9.254 1.00 0.00 N ATOM 310 CA GLN A 25 8.712 -12.958 9.230 1.00 0.00 C ATOM 311 C GLN A 25 8.545 -12.035 8.023 1.00 0.00 C ATOM 312 O GLN A 25 8.883 -10.852 8.082 1.00 0.00 O ATOM 313 CB GLN A 25 10.082 -13.636 9.165 1.00 0.00 C ATOM 314 CG GLN A 25 11.188 -12.676 9.620 1.00 0.00 C ATOM 315 CD GLN A 25 12.438 -13.467 10.002 1.00 0.00 C ATOM 316 OE1 GLN A 25 13.502 -13.266 9.418 1.00 0.00 O ATOM 317 NE2 GLN A 25 12.372 -14.362 10.956 1.00 0.00 N ATOM 0 H GLN A 25 8.026 -14.914 9.528 1.00 0.00 H new ATOM 0 HA GLN A 25 8.621 -12.351 10.131 1.00 0.00 H new ATOM 0 HB2 GLN A 25 10.083 -14.524 9.796 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.280 -13.969 8.146 1.00 0.00 H new ATOM 0 HG2 GLN A 25 11.422 -11.972 8.821 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.844 -12.089 10.471 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.489 -14.528 11.440 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.203 -14.893 11.215 1.00 0.00 H new ATOM 326 N VAL A 26 8.050 -12.593 6.925 1.00 0.00 N ATOM 327 CA VAL A 26 7.875 -11.821 5.699 1.00 0.00 C ATOM 328 C VAL A 26 6.642 -10.920 5.760 1.00 0.00 C ATOM 329 O VAL A 26 6.700 -9.764 5.341 1.00 0.00 O ATOM 330 CB VAL A 26 7.798 -12.776 4.494 1.00 0.00 C ATOM 331 CG1 VAL A 26 7.298 -12.022 3.257 1.00 0.00 C ATOM 332 CG2 VAL A 26 9.205 -13.341 4.226 1.00 0.00 C ATOM 0 H VAL A 26 7.764 -13.570 6.857 1.00 0.00 H new ATOM 0 HA VAL A 26 8.738 -11.165 5.585 1.00 0.00 H new ATOM 0 HB VAL A 26 7.104 -13.588 4.710 1.00 0.00 H new ATOM 0 HG11 VAL A 26 7.247 -12.706 2.410 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.306 -11.615 3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.985 -11.208 3.025 1.00 0.00 H new ATOM 0 HG21 VAL A 26 9.168 -14.020 3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.890 -12.522 4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 26 9.554 -13.881 5.106 1.00 0.00 H new ATOM 342 N LYS A 27 5.530 -11.434 6.266 1.00 0.00 N ATOM 343 CA LYS A 27 4.325 -10.620 6.335 1.00 0.00 C ATOM 344 C LYS A 27 4.612 -9.316 7.074 1.00 0.00 C ATOM 345 O LYS A 27 4.180 -8.247 6.650 1.00 0.00 O ATOM 346 CB LYS A 27 3.177 -11.405 6.992 1.00 0.00 C ATOM 347 CG LYS A 27 3.154 -11.202 8.515 1.00 0.00 C ATOM 348 CD LYS A 27 2.216 -12.228 9.157 1.00 0.00 C ATOM 349 CE LYS A 27 0.775 -11.971 8.703 1.00 0.00 C ATOM 350 NZ LYS A 27 -0.166 -12.665 9.628 1.00 0.00 N ATOM 0 H LYS A 27 5.436 -12.384 6.626 1.00 0.00 H new ATOM 0 HA LYS A 27 4.009 -10.368 5.323 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.226 -11.084 6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 27 3.285 -12.466 6.767 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.160 -11.310 8.921 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.821 -10.192 8.752 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.520 -13.237 8.878 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.281 -12.164 10.243 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.570 -10.900 8.694 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.633 -12.331 7.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.145 -12.492 9.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.025 -13.687 9.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.036 -12.301 10.593 1.00 0.00 H new ATOM 364 N ASP A 28 5.362 -9.406 8.166 1.00 0.00 N ATOM 365 CA ASP A 28 5.710 -8.211 8.918 1.00 0.00 C ATOM 366 C ASP A 28 6.573 -7.314 8.042 1.00 0.00 C ATOM 367 O ASP A 28 6.535 -6.085 8.145 1.00 0.00 O ATOM 368 CB ASP A 28 6.475 -8.586 10.189 1.00 0.00 C ATOM 369 CG ASP A 28 5.594 -9.438 11.096 1.00 0.00 C ATOM 370 OD1 ASP A 28 4.495 -9.002 11.401 1.00 0.00 O ATOM 371 OD2 ASP A 28 6.030 -10.513 11.474 1.00 0.00 O ATOM 0 H ASP A 28 5.734 -10.277 8.544 1.00 0.00 H new ATOM 0 HA ASP A 28 4.799 -7.686 9.206 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.381 -9.134 9.930 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.787 -7.684 10.715 1.00 0.00 H new ATOM 376 N ALA A 29 7.345 -7.951 7.167 1.00 0.00 N ATOM 377 CA ALA A 29 8.219 -7.229 6.257 1.00 0.00 C ATOM 378 C ALA A 29 7.404 -6.532 5.170 1.00 0.00 C ATOM 379 O ALA A 29 7.886 -5.595 4.535 1.00 0.00 O ATOM 380 CB ALA A 29 9.224 -8.195 5.623 1.00 0.00 C ATOM 0 H ALA A 29 7.381 -8.966 7.071 1.00 0.00 H new ATOM 0 HA ALA A 29 8.760 -6.470 6.822 1.00 0.00 H new ATOM 0 HB1 ALA A 29 9.876 -7.647 4.942 1.00 0.00 H new ATOM 0 HB2 ALA A 29 9.825 -8.660 6.405 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.688 -8.966 5.070 1.00 0.00 H new ATOM 386 N LEU A 30 6.162 -6.980 4.962 1.00 0.00 N ATOM 387 CA LEU A 30 5.308 -6.361 3.954 1.00 0.00 C ATOM 388 C LEU A 30 4.669 -5.109 4.542 1.00 0.00 C ATOM 389 O LEU A 30 4.447 -4.112 3.843 1.00 0.00 O ATOM 390 CB LEU A 30 4.231 -7.363 3.498 1.00 0.00 C ATOM 391 CG LEU A 30 4.779 -8.237 2.344 1.00 0.00 C ATOM 392 CD1 LEU A 30 4.090 -9.609 2.346 1.00 0.00 C ATOM 393 CD2 LEU A 30 4.524 -7.537 1.002 1.00 0.00 C ATOM 0 H LEU A 30 5.735 -7.755 5.470 1.00 0.00 H new ATOM 0 HA LEU A 30 5.902 -6.079 3.085 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.933 -7.995 4.334 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.340 -6.828 3.169 1.00 0.00 H new ATOM 0 HG LEU A 30 5.851 -8.378 2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.484 -10.215 1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.281 -10.110 3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.016 -9.477 2.215 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.911 -8.154 0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.453 -7.389 0.867 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.028 -6.570 0.994 1.00 0.00 H new ATOM 405 N THR A 31 4.402 -5.158 5.840 1.00 0.00 N ATOM 406 CA THR A 31 3.819 -4.019 6.518 1.00 0.00 C ATOM 407 C THR A 31 4.824 -2.888 6.549 1.00 0.00 C ATOM 408 O THR A 31 4.454 -1.720 6.611 1.00 0.00 O ATOM 409 CB THR A 31 3.415 -4.392 7.936 1.00 0.00 C ATOM 410 OG1 THR A 31 4.570 -4.737 8.687 1.00 0.00 O ATOM 411 CG2 THR A 31 2.463 -5.578 7.874 1.00 0.00 C ATOM 0 H THR A 31 4.579 -5.967 6.435 1.00 0.00 H new ATOM 0 HA THR A 31 2.927 -3.702 5.978 1.00 0.00 H new ATOM 0 HB THR A 31 2.922 -3.548 8.419 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.252 -5.105 8.087 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.164 -5.858 8.884 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.580 -5.306 7.296 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.963 -6.421 7.397 1.00 0.00 H new ATOM 419 N LYS A 32 6.107 -3.235 6.471 1.00 0.00 N ATOM 420 CA LYS A 32 7.138 -2.211 6.456 1.00 0.00 C ATOM 421 C LYS A 32 6.769 -1.191 5.386 1.00 0.00 C ATOM 422 O LYS A 32 6.515 -0.026 5.686 1.00 0.00 O ATOM 423 CB LYS A 32 8.515 -2.829 6.153 1.00 0.00 C ATOM 424 CG LYS A 32 9.638 -1.929 6.713 1.00 0.00 C ATOM 425 CD LYS A 32 10.927 -2.105 5.888 1.00 0.00 C ATOM 426 CE LYS A 32 10.895 -1.188 4.655 1.00 0.00 C ATOM 427 NZ LYS A 32 11.361 0.174 5.040 1.00 0.00 N ATOM 0 H LYS A 32 6.448 -4.195 6.419 1.00 0.00 H new ATOM 0 HA LYS A 32 7.201 -1.731 7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.581 -3.823 6.595 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.639 -2.950 5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 32 9.323 -0.886 6.689 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.829 -2.181 7.756 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.796 -1.871 6.503 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.029 -3.144 5.575 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.532 -1.594 3.869 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.884 -1.138 4.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.340 0.796 4.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 10.736 0.560 5.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.333 0.118 5.406 1.00 0.00 H new ATOM 441 N MET A 33 6.689 -1.661 4.142 1.00 0.00 N ATOM 442 CA MET A 33 6.298 -0.798 3.038 1.00 0.00 C ATOM 443 C MET A 33 5.036 -0.046 3.431 1.00 0.00 C ATOM 444 O MET A 33 5.061 1.168 3.615 1.00 0.00 O ATOM 445 CB MET A 33 6.035 -1.641 1.785 1.00 0.00 C ATOM 446 CG MET A 33 7.265 -2.524 1.461 1.00 0.00 C ATOM 447 SD MET A 33 8.259 -1.738 0.160 1.00 0.00 S ATOM 448 CE MET A 33 9.612 -1.142 1.206 1.00 0.00 C ATOM 0 H MET A 33 6.888 -2.626 3.879 1.00 0.00 H new ATOM 0 HA MET A 33 7.098 -0.090 2.820 1.00 0.00 H new ATOM 0 HB2 MET A 33 5.158 -2.270 1.939 1.00 0.00 H new ATOM 0 HB3 MET A 33 5.815 -0.989 0.940 1.00 0.00 H new ATOM 0 HG2 MET A 33 7.869 -2.666 2.357 1.00 0.00 H new ATOM 0 HG3 MET A 33 6.940 -3.512 1.136 1.00 0.00 H new ATOM 0 HE1 MET A 33 10.371 -0.667 0.584 1.00 0.00 H new ATOM 0 HE2 MET A 33 9.226 -0.418 1.923 1.00 0.00 H new ATOM 0 HE3 MET A 33 10.055 -1.982 1.741 1.00 0.00 H new ATOM 458 N ARG A 34 3.934 -0.781 3.585 1.00 0.00 N ATOM 459 CA ARG A 34 2.670 -0.168 3.993 1.00 0.00 C ATOM 460 C ARG A 34 2.906 0.916 5.041 1.00 0.00 C ATOM 461 O ARG A 34 2.808 2.109 4.751 1.00 0.00 O ATOM 462 CB ARG A 34 1.752 -1.230 4.587 1.00 0.00 C ATOM 463 CG ARG A 34 0.358 -0.642 4.774 1.00 0.00 C ATOM 464 CD ARG A 34 -0.593 -1.732 5.268 1.00 0.00 C ATOM 465 NE ARG A 34 -1.876 -1.147 5.640 1.00 0.00 N ATOM 466 CZ ARG A 34 -2.819 -1.874 6.231 1.00 0.00 C ATOM 467 NH1 ARG A 34 -2.607 -3.135 6.491 1.00 0.00 N ATOM 468 NH2 ARG A 34 -3.958 -1.324 6.551 1.00 0.00 N ATOM 0 H ARG A 34 3.890 -1.789 3.436 1.00 0.00 H new ATOM 0 HA ARG A 34 2.210 0.280 3.112 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.708 -2.098 3.930 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.146 -1.574 5.543 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.391 0.179 5.491 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.003 -0.229 3.832 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.738 -2.480 4.488 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.157 -2.245 6.125 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.053 -0.162 5.443 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -1.716 -3.565 6.241 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -3.332 -3.691 6.945 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -4.123 -0.338 6.348 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.683 -1.880 7.005 1.00 0.00 H new ATOM 482 N ALA A 35 3.216 0.488 6.261 1.00 0.00 N ATOM 483 CA ALA A 35 3.464 1.425 7.350 1.00 0.00 C ATOM 484 C ALA A 35 4.315 2.606 6.881 1.00 0.00 C ATOM 485 O ALA A 35 4.232 3.697 7.441 1.00 0.00 O ATOM 486 CB ALA A 35 4.174 0.708 8.499 1.00 0.00 C ATOM 0 H ALA A 35 3.301 -0.495 6.519 1.00 0.00 H new ATOM 0 HA ALA A 35 2.503 1.809 7.692 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.357 1.413 9.310 1.00 0.00 H new ATOM 0 HB2 ALA A 35 3.548 -0.107 8.861 1.00 0.00 H new ATOM 0 HB3 ALA A 35 5.124 0.307 8.146 1.00 0.00 H new ATOM 492 N ALA A 36 5.127 2.385 5.848 1.00 0.00 N ATOM 493 CA ALA A 36 5.979 3.451 5.322 1.00 0.00 C ATOM 494 C ALA A 36 5.168 4.363 4.413 1.00 0.00 C ATOM 495 O ALA A 36 5.270 5.587 4.494 1.00 0.00 O ATOM 496 CB ALA A 36 7.171 2.866 4.549 1.00 0.00 C ATOM 0 H ALA A 36 5.213 1.491 5.364 1.00 0.00 H new ATOM 0 HA ALA A 36 6.364 4.029 6.162 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.791 3.677 4.167 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.764 2.239 5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.805 2.266 3.716 1.00 0.00 H new ATOM 502 N ALA A 37 4.351 3.760 3.556 1.00 0.00 N ATOM 503 CA ALA A 37 3.515 4.533 2.651 1.00 0.00 C ATOM 504 C ALA A 37 2.760 5.590 3.440 1.00 0.00 C ATOM 505 O ALA A 37 2.705 6.756 3.047 1.00 0.00 O ATOM 506 CB ALA A 37 2.522 3.616 1.935 1.00 0.00 C ATOM 0 H ALA A 37 4.252 2.748 3.471 1.00 0.00 H new ATOM 0 HA ALA A 37 4.147 5.015 1.906 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.902 4.207 1.261 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.067 2.865 1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 37 1.888 3.121 2.671 1.00 0.00 H new ATOM 512 N LEU A 38 2.186 5.175 4.565 1.00 0.00 N ATOM 513 CA LEU A 38 1.442 6.104 5.411 1.00 0.00 C ATOM 514 C LEU A 38 2.398 7.087 6.088 1.00 0.00 C ATOM 515 O LEU A 38 2.117 8.288 6.196 1.00 0.00 O ATOM 516 CB LEU A 38 0.669 5.328 6.484 1.00 0.00 C ATOM 517 CG LEU A 38 -0.438 4.473 5.831 1.00 0.00 C ATOM 518 CD1 LEU A 38 -0.791 3.298 6.749 1.00 0.00 C ATOM 519 CD2 LEU A 38 -1.698 5.321 5.602 1.00 0.00 C ATOM 0 H LEU A 38 2.220 4.215 4.909 1.00 0.00 H new ATOM 0 HA LEU A 38 0.742 6.658 4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.352 4.687 7.042 1.00 0.00 H new ATOM 0 HB3 LEU A 38 0.228 6.023 7.199 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.072 4.101 4.874 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.573 2.696 6.285 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.094 2.682 6.909 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.146 3.678 7.707 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.471 4.707 5.141 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.059 5.702 6.557 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.459 6.157 4.945 1.00 0.00 H new ATOM 531 N ASP A 39 3.526 6.560 6.553 1.00 0.00 N ATOM 532 CA ASP A 39 4.524 7.372 7.238 1.00 0.00 C ATOM 533 C ASP A 39 4.920 8.597 6.416 1.00 0.00 C ATOM 534 O ASP A 39 4.852 9.726 6.896 1.00 0.00 O ATOM 535 CB ASP A 39 5.771 6.535 7.523 1.00 0.00 C ATOM 536 CG ASP A 39 6.713 7.302 8.446 1.00 0.00 C ATOM 537 OD1 ASP A 39 7.419 8.167 7.953 1.00 0.00 O ATOM 538 OD2 ASP A 39 6.715 7.014 9.631 1.00 0.00 O ATOM 0 H ASP A 39 3.771 5.574 6.468 1.00 0.00 H new ATOM 0 HA ASP A 39 4.080 7.716 8.172 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.487 5.589 7.984 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.279 6.295 6.589 1.00 0.00 H new ATOM 543 N ALA A 40 5.355 8.367 5.183 1.00 0.00 N ATOM 544 CA ALA A 40 5.783 9.464 4.320 1.00 0.00 C ATOM 545 C ALA A 40 4.607 10.349 3.916 1.00 0.00 C ATOM 546 O ALA A 40 4.697 11.576 3.959 1.00 0.00 O ATOM 547 CB ALA A 40 6.454 8.902 3.065 1.00 0.00 C ATOM 0 H ALA A 40 5.421 7.441 4.760 1.00 0.00 H new ATOM 0 HA ALA A 40 6.491 10.075 4.880 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.772 9.724 2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.322 8.308 3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.746 8.273 2.525 1.00 0.00 H new ATOM 553 N GLN A 41 3.508 9.716 3.528 1.00 0.00 N ATOM 554 CA GLN A 41 2.312 10.419 3.108 1.00 0.00 C ATOM 555 C GLN A 41 2.088 11.685 3.931 1.00 0.00 C ATOM 556 O GLN A 41 1.833 12.751 3.370 1.00 0.00 O ATOM 557 CB GLN A 41 1.142 9.432 3.241 1.00 0.00 C ATOM 558 CG GLN A 41 -0.191 10.122 3.559 1.00 0.00 C ATOM 559 CD GLN A 41 -1.284 9.062 3.582 1.00 0.00 C ATOM 560 OE1 GLN A 41 -2.417 9.337 3.977 1.00 0.00 O ATOM 561 NE2 GLN A 41 -0.994 7.847 3.195 1.00 0.00 N ATOM 0 H GLN A 41 3.425 8.700 3.497 1.00 0.00 H new ATOM 0 HA GLN A 41 2.406 10.755 2.075 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.041 8.869 2.313 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.369 8.712 4.027 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.135 10.631 4.521 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -0.414 10.881 2.809 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.053 7.627 2.869 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.709 7.120 3.219 1.00 0.00 H new ATOM 570 N LYS A 42 2.169 11.570 5.256 1.00 0.00 N ATOM 571 CA LYS A 42 1.938 12.751 6.109 1.00 0.00 C ATOM 572 C LYS A 42 2.727 12.707 7.424 1.00 0.00 C ATOM 573 O LYS A 42 2.610 13.627 8.234 1.00 0.00 O ATOM 574 CB LYS A 42 0.432 12.864 6.431 1.00 0.00 C ATOM 575 CG LYS A 42 -0.317 13.534 5.268 1.00 0.00 C ATOM 576 CD LYS A 42 -1.801 13.717 5.630 1.00 0.00 C ATOM 577 CE LYS A 42 -2.573 12.415 5.379 1.00 0.00 C ATOM 578 NZ LYS A 42 -4.029 12.650 5.595 1.00 0.00 N ATOM 0 H LYS A 42 2.384 10.707 5.755 1.00 0.00 H new ATOM 0 HA LYS A 42 2.287 13.619 5.550 1.00 0.00 H new ATOM 0 HB2 LYS A 42 0.018 11.873 6.615 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.291 13.443 7.344 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.133 14.501 5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.227 12.925 4.368 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -1.894 14.007 6.676 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -2.231 14.523 5.036 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -2.397 12.066 4.361 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.217 11.633 6.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -4.552 11.767 5.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -4.189 12.964 6.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.364 13.383 4.937 1.00 0.00 H new ATOM 592 N ALA A 43 3.509 11.653 7.657 1.00 0.00 N ATOM 593 CA ALA A 43 4.274 11.550 8.916 1.00 0.00 C ATOM 594 C ALA A 43 5.750 11.911 8.722 1.00 0.00 C ATOM 595 O ALA A 43 6.496 12.009 9.696 1.00 0.00 O ATOM 596 CB ALA A 43 4.151 10.126 9.490 1.00 0.00 C ATOM 0 H ALA A 43 3.634 10.872 7.013 1.00 0.00 H new ATOM 0 HA ALA A 43 3.850 12.267 9.619 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.718 10.058 10.419 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.103 9.903 9.688 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.545 9.408 8.771 1.00 0.00 H new ATOM 602 N THR A 44 6.176 12.099 7.476 1.00 0.00 N ATOM 603 CA THR A 44 7.571 12.437 7.212 1.00 0.00 C ATOM 604 C THR A 44 7.731 13.098 5.844 1.00 0.00 C ATOM 605 O THR A 44 7.987 12.410 4.857 1.00 0.00 O ATOM 606 CB THR A 44 8.420 11.167 7.265 1.00 0.00 C ATOM 607 OG1 THR A 44 8.328 10.593 8.562 1.00 0.00 O ATOM 608 CG2 THR A 44 9.879 11.507 6.958 1.00 0.00 C ATOM 0 H THR A 44 5.587 12.025 6.646 1.00 0.00 H new ATOM 0 HA THR A 44 7.902 13.143 7.974 1.00 0.00 H new ATOM 0 HB THR A 44 8.054 10.456 6.524 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.231 9.621 8.483 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.480 10.599 6.997 1.00 0.00 H new ATOM 0 HG22 THR A 44 9.949 11.946 5.963 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.250 12.219 7.695 1.00 0.00 H new ATOM 616 N PRO A 45 7.596 14.406 5.757 1.00 0.00 N ATOM 617 CA PRO A 45 7.737 15.132 4.463 1.00 0.00 C ATOM 618 C PRO A 45 8.887 14.566 3.621 1.00 0.00 C ATOM 619 O PRO A 45 10.054 14.840 3.901 1.00 0.00 O ATOM 620 CB PRO A 45 8.022 16.566 4.909 1.00 0.00 C ATOM 621 CG PRO A 45 7.242 16.713 6.173 1.00 0.00 C ATOM 622 CD PRO A 45 7.304 15.343 6.865 1.00 0.00 C ATOM 0 HA PRO A 45 6.858 15.046 3.825 1.00 0.00 H new ATOM 0 HB2 PRO A 45 9.087 16.728 5.076 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.704 17.288 4.157 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.668 17.491 6.807 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.211 17.000 5.965 1.00 0.00 H new ATOM 0 HD2 PRO A 45 8.081 15.315 7.629 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.363 15.100 7.358 1.00 0.00 H new ATOM 630 N PRO A 46 8.594 13.769 2.616 1.00 0.00 N ATOM 631 CA PRO A 46 9.642 13.151 1.757 1.00 0.00 C ATOM 632 C PRO A 46 10.117 14.097 0.656 1.00 0.00 C ATOM 633 O PRO A 46 10.931 14.986 0.900 1.00 0.00 O ATOM 634 CB PRO A 46 8.927 11.926 1.183 1.00 0.00 C ATOM 635 CG PRO A 46 7.499 12.356 1.049 1.00 0.00 C ATOM 636 CD PRO A 46 7.242 13.368 2.178 1.00 0.00 C ATOM 0 HA PRO A 46 10.551 12.904 2.306 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.347 11.636 0.220 1.00 0.00 H new ATOM 0 HB3 PRO A 46 9.022 11.065 1.844 1.00 0.00 H new ATOM 0 HG2 PRO A 46 7.320 12.809 0.074 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.827 11.502 1.133 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.668 14.224 1.823 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.675 12.920 2.994 1.00 0.00 H new ATOM 644 N LYS A 47 9.604 13.901 -0.555 1.00 0.00 N ATOM 645 CA LYS A 47 9.984 14.745 -1.683 1.00 0.00 C ATOM 646 C LYS A 47 9.113 15.993 -1.728 1.00 0.00 C ATOM 647 O LYS A 47 9.392 16.927 -2.479 1.00 0.00 O ATOM 648 CB LYS A 47 9.835 13.968 -2.994 1.00 0.00 C ATOM 649 CG LYS A 47 10.552 12.619 -2.879 1.00 0.00 C ATOM 650 CD LYS A 47 12.045 12.842 -2.590 1.00 0.00 C ATOM 651 CE LYS A 47 12.840 11.592 -2.977 1.00 0.00 C ATOM 652 NZ LYS A 47 14.283 11.808 -2.677 1.00 0.00 N ATOM 0 H LYS A 47 8.929 13.170 -0.780 1.00 0.00 H new ATOM 0 HA LYS A 47 11.025 15.043 -1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.780 13.812 -3.218 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.254 14.544 -3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.103 12.026 -2.082 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.432 12.054 -3.803 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.409 13.703 -3.150 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.191 13.064 -1.533 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.469 10.727 -2.427 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.706 11.377 -4.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.823 10.959 -2.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.632 12.623 -3.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.402 11.993 -1.661 1.00 0.00 H new ATOM 666 N LEU A 48 8.059 16.007 -0.917 1.00 0.00 N ATOM 667 CA LEU A 48 7.162 17.159 -0.880 1.00 0.00 C ATOM 668 C LEU A 48 7.785 18.295 -0.076 1.00 0.00 C ATOM 669 O LEU A 48 7.085 19.037 0.612 1.00 0.00 O ATOM 670 CB LEU A 48 5.812 16.774 -0.260 1.00 0.00 C ATOM 671 CG LEU A 48 5.355 15.406 -0.792 1.00 0.00 C ATOM 672 CD1 LEU A 48 4.097 14.955 -0.042 1.00 0.00 C ATOM 673 CD2 LEU A 48 5.051 15.509 -2.291 1.00 0.00 C ATOM 0 H LEU A 48 7.807 15.247 -0.286 1.00 0.00 H new ATOM 0 HA LEU A 48 7.000 17.492 -1.905 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.899 16.740 0.826 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.065 17.532 -0.496 1.00 0.00 H new ATOM 0 HG LEU A 48 6.150 14.677 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.775 13.985 -0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.318 14.873 1.022 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.302 15.685 -0.193 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.727 14.537 -2.664 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.260 16.241 -2.452 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.949 15.822 -2.824 1.00 0.00 H new ATOM 685 N GLU A 49 9.104 18.431 -0.172 1.00 0.00 N ATOM 686 CA GLU A 49 9.803 19.489 0.547 1.00 0.00 C ATOM 687 C GLU A 49 9.301 20.850 0.084 1.00 0.00 C ATOM 688 O GLU A 49 9.418 21.847 0.797 1.00 0.00 O ATOM 689 CB GLU A 49 11.310 19.387 0.299 1.00 0.00 C ATOM 690 CG GLU A 49 11.868 18.172 1.041 1.00 0.00 C ATOM 691 CD GLU A 49 11.852 18.424 2.544 1.00 0.00 C ATOM 692 OE1 GLU A 49 11.644 19.562 2.932 1.00 0.00 O ATOM 693 OE2 GLU A 49 12.048 17.476 3.286 1.00 0.00 O ATOM 0 H GLU A 49 9.705 17.828 -0.735 1.00 0.00 H new ATOM 0 HA GLU A 49 9.608 19.376 1.613 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.508 19.297 -0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.808 20.295 0.640 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.274 17.288 0.806 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.886 17.969 0.709 1.00 0.00 H new ATOM 700 N ASP A 50 8.738 20.878 -1.120 1.00 0.00 N ATOM 701 CA ASP A 50 8.212 22.113 -1.686 1.00 0.00 C ATOM 702 C ASP A 50 7.189 21.803 -2.773 1.00 0.00 C ATOM 703 O ASP A 50 7.193 22.422 -3.836 1.00 0.00 O ATOM 704 CB ASP A 50 9.351 22.946 -2.276 1.00 0.00 C ATOM 705 CG ASP A 50 10.049 22.163 -3.383 1.00 0.00 C ATOM 706 OD1 ASP A 50 10.344 20.999 -3.164 1.00 0.00 O ATOM 707 OD2 ASP A 50 10.277 22.738 -4.435 1.00 0.00 O ATOM 0 H ASP A 50 8.635 20.060 -1.721 1.00 0.00 H new ATOM 0 HA ASP A 50 7.726 22.679 -0.892 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.960 23.883 -2.673 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.066 23.204 -1.495 1.00 0.00 H new ATOM 712 N LYS A 51 6.309 20.839 -2.496 1.00 0.00 N ATOM 713 CA LYS A 51 5.273 20.449 -3.453 1.00 0.00 C ATOM 714 C LYS A 51 3.956 20.210 -2.727 1.00 0.00 C ATOM 715 O LYS A 51 3.299 19.205 -2.955 1.00 0.00 O ATOM 716 CB LYS A 51 5.675 19.165 -4.199 1.00 0.00 C ATOM 717 CG LYS A 51 7.159 19.217 -4.606 1.00 0.00 C ATOM 718 CD LYS A 51 7.396 18.343 -5.848 1.00 0.00 C ATOM 719 CE LYS A 51 6.979 16.895 -5.561 1.00 0.00 C ATOM 720 NZ LYS A 51 7.736 16.383 -4.384 1.00 0.00 N ATOM 0 H LYS A 51 6.293 20.316 -1.620 1.00 0.00 H new ATOM 0 HA LYS A 51 5.156 21.258 -4.174 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.497 18.298 -3.563 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.053 19.043 -5.086 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.451 20.246 -4.815 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.783 18.869 -3.782 1.00 0.00 H new ATOM 0 HD2 LYS A 51 6.826 18.733 -6.691 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.448 18.377 -6.131 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.908 16.846 -5.367 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.174 16.270 -6.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.478 15.391 -4.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.757 16.448 -4.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.502 16.953 -3.546 1.00 0.00 H new ATOM 734 N SER A 52 3.591 21.130 -1.844 1.00 0.00 N ATOM 735 CA SER A 52 2.354 21.007 -1.076 1.00 0.00 C ATOM 736 C SER A 52 1.178 20.607 -1.985 1.00 0.00 C ATOM 737 O SER A 52 1.362 20.419 -3.186 1.00 0.00 O ATOM 738 CB SER A 52 2.070 22.340 -0.360 1.00 0.00 C ATOM 739 OG SER A 52 1.739 22.083 0.998 1.00 0.00 O ATOM 0 H SER A 52 4.132 21.970 -1.640 1.00 0.00 H new ATOM 0 HA SER A 52 2.470 20.219 -0.332 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.943 22.990 -0.417 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.251 22.863 -0.853 1.00 0.00 H new ATOM 0 HG SER A 52 1.559 22.930 1.457 1.00 0.00 H new ATOM 745 N PRO A 53 -0.013 20.458 -1.434 1.00 0.00 N ATOM 746 CA PRO A 53 -1.238 20.057 -2.215 1.00 0.00 C ATOM 747 C PRO A 53 -1.556 21.004 -3.379 1.00 0.00 C ATOM 748 O PRO A 53 -2.718 21.316 -3.639 1.00 0.00 O ATOM 749 CB PRO A 53 -2.366 20.077 -1.165 1.00 0.00 C ATOM 750 CG PRO A 53 -1.674 19.935 0.151 1.00 0.00 C ATOM 751 CD PRO A 53 -0.335 20.648 -0.006 1.00 0.00 C ATOM 0 HA PRO A 53 -1.101 19.087 -2.692 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.934 21.006 -1.214 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.072 19.263 -1.329 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -2.263 20.381 0.953 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -1.531 18.885 0.406 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -0.409 21.704 0.252 1.00 0.00 H new ATOM 0 HD3 PRO A 53 0.429 20.215 0.640 1.00 0.00 H new ATOM 759 N ASP A 54 -0.517 21.454 -4.068 1.00 0.00 N ATOM 760 CA ASP A 54 -0.668 22.365 -5.203 1.00 0.00 C ATOM 761 C ASP A 54 -0.490 21.599 -6.507 1.00 0.00 C ATOM 762 O ASP A 54 -1.431 21.436 -7.283 1.00 0.00 O ATOM 763 CB ASP A 54 0.391 23.466 -5.119 1.00 0.00 C ATOM 764 CG ASP A 54 0.194 24.467 -6.253 1.00 0.00 C ATOM 765 OD1 ASP A 54 -0.605 25.373 -6.083 1.00 0.00 O ATOM 766 OD2 ASP A 54 0.846 24.312 -7.272 1.00 0.00 O ATOM 0 H ASP A 54 0.450 21.202 -3.861 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.664 22.808 -5.175 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.323 23.975 -4.158 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.388 23.029 -5.178 1.00 0.00 H new ATOM 771 N SER A 55 0.729 21.119 -6.723 1.00 0.00 N ATOM 772 CA SER A 55 1.046 20.349 -7.918 1.00 0.00 C ATOM 773 C SER A 55 0.362 18.986 -7.828 1.00 0.00 C ATOM 774 O SER A 55 -0.383 18.730 -6.880 1.00 0.00 O ATOM 775 CB SER A 55 2.578 20.197 -8.024 1.00 0.00 C ATOM 776 OG SER A 55 3.194 21.183 -7.206 1.00 0.00 O ATOM 0 H SER A 55 1.514 21.250 -6.085 1.00 0.00 H new ATOM 0 HA SER A 55 0.685 20.858 -8.812 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.881 19.200 -7.706 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.898 20.312 -9.060 1.00 0.00 H new ATOM 0 HG SER A 55 4.168 21.094 -7.264 1.00 0.00 H new ATOM 782 N PRO A 56 0.593 18.105 -8.766 1.00 0.00 N ATOM 783 CA PRO A 56 -0.026 16.745 -8.748 1.00 0.00 C ATOM 784 C PRO A 56 0.289 15.979 -7.456 1.00 0.00 C ATOM 785 O PRO A 56 0.020 14.782 -7.360 1.00 0.00 O ATOM 786 CB PRO A 56 0.582 16.053 -9.980 1.00 0.00 C ATOM 787 CG PRO A 56 0.997 17.173 -10.877 1.00 0.00 C ATOM 788 CD PRO A 56 1.452 18.291 -9.946 1.00 0.00 C ATOM 0 HA PRO A 56 -1.115 16.787 -8.779 1.00 0.00 H new ATOM 0 HB2 PRO A 56 1.433 15.430 -9.705 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.144 15.403 -10.468 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.803 16.865 -11.543 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.169 17.499 -11.507 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.509 18.202 -9.694 1.00 0.00 H new ATOM 0 HD3 PRO A 56 1.313 19.274 -10.396 1.00 0.00 H new ATOM 796 N GLU A 57 0.850 16.678 -6.461 1.00 0.00 N ATOM 797 CA GLU A 57 1.183 16.054 -5.180 1.00 0.00 C ATOM 798 C GLU A 57 0.092 15.080 -4.772 1.00 0.00 C ATOM 799 O GLU A 57 0.345 13.900 -4.582 1.00 0.00 O ATOM 800 CB GLU A 57 1.341 17.133 -4.095 1.00 0.00 C ATOM 801 CG GLU A 57 1.339 16.497 -2.688 1.00 0.00 C ATOM 802 CD GLU A 57 1.699 17.529 -1.627 1.00 0.00 C ATOM 803 OE1 GLU A 57 0.793 18.183 -1.138 1.00 0.00 O ATOM 804 OE2 GLU A 57 2.868 17.638 -1.304 1.00 0.00 O ATOM 0 H GLU A 57 1.081 17.670 -6.520 1.00 0.00 H new ATOM 0 HA GLU A 57 2.122 15.512 -5.290 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.271 17.679 -4.251 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.529 17.856 -4.174 1.00 0.00 H new ATOM 0 HG2 GLU A 57 0.356 16.078 -2.475 1.00 0.00 H new ATOM 0 HG3 GLU A 57 2.051 15.672 -2.656 1.00 0.00 H new ATOM 811 N MET A 58 -1.118 15.599 -4.634 1.00 0.00 N ATOM 812 CA MET A 58 -2.251 14.779 -4.244 1.00 0.00 C ATOM 813 C MET A 58 -2.457 13.657 -5.259 1.00 0.00 C ATOM 814 O MET A 58 -2.613 12.493 -4.894 1.00 0.00 O ATOM 815 CB MET A 58 -3.504 15.647 -4.155 1.00 0.00 C ATOM 816 CG MET A 58 -3.214 16.898 -3.308 1.00 0.00 C ATOM 817 SD MET A 58 -4.664 17.981 -3.322 1.00 0.00 S ATOM 818 CE MET A 58 -5.510 17.249 -1.899 1.00 0.00 C ATOM 0 H MET A 58 -1.339 16.583 -4.786 1.00 0.00 H new ATOM 0 HA MET A 58 -2.056 14.335 -3.268 1.00 0.00 H new ATOM 0 HB2 MET A 58 -3.826 15.940 -5.154 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.321 15.078 -3.711 1.00 0.00 H new ATOM 0 HG2 MET A 58 -2.971 16.610 -2.285 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.347 17.427 -3.705 1.00 0.00 H new ATOM 0 HE1 MET A 58 -6.588 17.293 -2.055 1.00 0.00 H new ATOM 0 HE2 MET A 58 -5.201 16.210 -1.787 1.00 0.00 H new ATOM 0 HE3 MET A 58 -5.251 17.803 -0.997 1.00 0.00 H new ATOM 828 N LYS A 59 -2.438 14.007 -6.537 1.00 0.00 N ATOM 829 CA LYS A 59 -2.614 13.008 -7.586 1.00 0.00 C ATOM 830 C LYS A 59 -1.566 11.907 -7.440 1.00 0.00 C ATOM 831 O LYS A 59 -1.866 10.722 -7.602 1.00 0.00 O ATOM 832 CB LYS A 59 -2.486 13.664 -8.967 1.00 0.00 C ATOM 833 CG LYS A 59 -3.680 14.604 -9.229 1.00 0.00 C ATOM 834 CD LYS A 59 -4.855 13.819 -9.823 1.00 0.00 C ATOM 835 CE LYS A 59 -6.018 14.773 -10.092 1.00 0.00 C ATOM 836 NZ LYS A 59 -7.032 14.093 -10.946 1.00 0.00 N ATOM 0 H LYS A 59 -2.305 14.961 -6.872 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.608 12.571 -7.490 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.554 14.226 -9.025 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -2.444 12.896 -9.739 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.986 15.082 -8.298 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.382 15.399 -9.913 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -4.550 13.330 -10.748 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.167 13.033 -9.135 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.471 15.086 -9.151 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.656 15.674 -10.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.823 14.742 -11.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.596 13.816 -11.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.385 13.246 -10.457 1.00 0.00 H new ATOM 850 N ASP A 60 -0.336 12.308 -7.132 1.00 0.00 N ATOM 851 CA ASP A 60 0.758 11.356 -6.965 1.00 0.00 C ATOM 852 C ASP A 60 0.675 10.667 -5.605 1.00 0.00 C ATOM 853 O ASP A 60 0.964 9.480 -5.484 1.00 0.00 O ATOM 854 CB ASP A 60 2.097 12.082 -7.094 1.00 0.00 C ATOM 855 CG ASP A 60 3.248 11.093 -6.955 1.00 0.00 C ATOM 856 OD1 ASP A 60 2.981 9.942 -6.652 1.00 0.00 O ATOM 857 OD2 ASP A 60 4.380 11.502 -7.154 1.00 0.00 O ATOM 0 H ASP A 60 -0.072 13.283 -6.993 1.00 0.00 H new ATOM 0 HA ASP A 60 0.677 10.597 -7.743 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.155 12.585 -8.059 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.176 12.853 -6.328 1.00 0.00 H new ATOM 862 N PHE A 61 0.257 11.414 -4.589 1.00 0.00 N ATOM 863 CA PHE A 61 0.121 10.853 -3.248 1.00 0.00 C ATOM 864 C PHE A 61 -1.129 9.989 -3.214 1.00 0.00 C ATOM 865 O PHE A 61 -1.046 8.768 -3.089 1.00 0.00 O ATOM 866 CB PHE A 61 0.039 11.979 -2.176 1.00 0.00 C ATOM 867 CG PHE A 61 -0.799 11.538 -0.978 1.00 0.00 C ATOM 868 CD1 PHE A 61 -0.673 10.239 -0.464 1.00 0.00 C ATOM 869 CD2 PHE A 61 -1.724 12.422 -0.408 1.00 0.00 C ATOM 870 CE1 PHE A 61 -1.468 9.831 0.612 1.00 0.00 C ATOM 871 CE2 PHE A 61 -2.521 12.012 0.665 1.00 0.00 C ATOM 872 CZ PHE A 61 -2.395 10.718 1.174 1.00 0.00 C ATOM 0 H PHE A 61 0.008 12.400 -4.666 1.00 0.00 H new ATOM 0 HA PHE A 61 0.998 10.249 -3.015 1.00 0.00 H new ATOM 0 HB2 PHE A 61 1.043 12.243 -1.844 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -0.396 12.875 -2.618 1.00 0.00 H new ATOM 0 HD1 PHE A 61 0.039 9.553 -0.900 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -1.822 13.424 -0.799 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -1.367 8.832 1.010 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -3.234 12.696 1.100 1.00 0.00 H new ATOM 0 HZ PHE A 61 -3.013 10.401 2.001 1.00 0.00 H new ATOM 882 N ARG A 62 -2.284 10.640 -3.313 1.00 0.00 N ATOM 883 CA ARG A 62 -3.556 9.933 -3.282 1.00 0.00 C ATOM 884 C ARG A 62 -3.444 8.628 -4.059 1.00 0.00 C ATOM 885 O ARG A 62 -3.927 7.591 -3.621 1.00 0.00 O ATOM 886 CB ARG A 62 -4.671 10.809 -3.877 1.00 0.00 C ATOM 887 CG ARG A 62 -4.724 12.176 -3.163 1.00 0.00 C ATOM 888 CD ARG A 62 -5.574 12.089 -1.897 1.00 0.00 C ATOM 889 NE ARG A 62 -6.991 12.024 -2.236 1.00 0.00 N ATOM 890 CZ ARG A 62 -7.661 13.110 -2.607 1.00 0.00 C ATOM 891 NH1 ARG A 62 -7.050 14.261 -2.672 1.00 0.00 N ATOM 892 NH2 ARG A 62 -8.929 13.025 -2.904 1.00 0.00 N ATOM 0 H ARG A 62 -2.364 11.652 -3.415 1.00 0.00 H new ATOM 0 HA ARG A 62 -3.807 9.709 -2.245 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.497 10.955 -4.943 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.631 10.303 -3.778 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.714 12.499 -2.908 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.139 12.927 -3.835 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.291 11.207 -1.322 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -5.385 12.956 -1.265 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.477 11.128 -2.187 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -6.059 14.326 -2.438 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.563 15.095 -2.957 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.406 12.125 -2.851 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.443 13.859 -3.189 1.00 0.00 H new ATOM 906 N HIS A 63 -2.773 8.667 -5.203 1.00 0.00 N ATOM 907 CA HIS A 63 -2.597 7.455 -5.988 1.00 0.00 C ATOM 908 C HIS A 63 -1.436 6.646 -5.440 1.00 0.00 C ATOM 909 O HIS A 63 -1.572 5.463 -5.161 1.00 0.00 O ATOM 910 CB HIS A 63 -2.322 7.801 -7.451 1.00 0.00 C ATOM 911 CG HIS A 63 -2.511 6.579 -8.308 1.00 0.00 C ATOM 912 ND1 HIS A 63 -1.545 6.148 -9.203 1.00 0.00 N ATOM 913 CD2 HIS A 63 -3.550 5.688 -8.420 1.00 0.00 C ATOM 914 CE1 HIS A 63 -2.017 5.044 -9.809 1.00 0.00 C ATOM 915 NE2 HIS A 63 -3.237 4.720 -9.368 1.00 0.00 N ATOM 0 H HIS A 63 -2.350 9.506 -5.601 1.00 0.00 H new ATOM 0 HA HIS A 63 -3.514 6.869 -5.925 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.994 8.594 -7.779 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -1.306 8.179 -7.560 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -4.471 5.732 -7.857 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -1.477 4.487 -10.560 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -3.814 3.932 -9.663 1.00 0.00 H new ATOM 924 N GLY A 64 -0.293 7.302 -5.297 1.00 0.00 N ATOM 925 CA GLY A 64 0.902 6.643 -4.788 1.00 0.00 C ATOM 926 C GLY A 64 0.576 5.715 -3.626 1.00 0.00 C ATOM 927 O GLY A 64 1.114 4.611 -3.543 1.00 0.00 O ATOM 0 H GLY A 64 -0.168 8.288 -5.526 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.373 6.073 -5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.623 7.394 -4.464 1.00 0.00 H new ATOM 931 N PHE A 65 -0.311 6.151 -2.726 1.00 0.00 N ATOM 932 CA PHE A 65 -0.669 5.301 -1.590 1.00 0.00 C ATOM 933 C PHE A 65 -1.666 4.246 -2.071 1.00 0.00 C ATOM 934 O PHE A 65 -1.702 3.133 -1.557 1.00 0.00 O ATOM 935 CB PHE A 65 -1.212 6.156 -0.395 1.00 0.00 C ATOM 936 CG PHE A 65 -2.611 5.726 0.016 1.00 0.00 C ATOM 937 CD1 PHE A 65 -3.677 5.892 -0.869 1.00 0.00 C ATOM 938 CD2 PHE A 65 -2.837 5.156 1.276 1.00 0.00 C ATOM 939 CE1 PHE A 65 -4.956 5.496 -0.515 1.00 0.00 C ATOM 940 CE2 PHE A 65 -4.130 4.758 1.636 1.00 0.00 C ATOM 941 CZ PHE A 65 -5.187 4.931 0.734 1.00 0.00 C ATOM 0 H PHE A 65 -0.780 7.056 -2.759 1.00 0.00 H new ATOM 0 HA PHE A 65 0.214 4.790 -1.206 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.538 6.061 0.456 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.223 7.209 -0.677 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.503 6.333 -1.839 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.017 5.024 1.967 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.773 5.626 -1.209 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.312 4.319 2.606 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.185 4.624 1.010 1.00 0.00 H new ATOM 951 N ASP A 66 -2.445 4.599 -3.089 1.00 0.00 N ATOM 952 CA ASP A 66 -3.407 3.669 -3.654 1.00 0.00 C ATOM 953 C ASP A 66 -2.654 2.579 -4.408 1.00 0.00 C ATOM 954 O ASP A 66 -3.112 1.441 -4.517 1.00 0.00 O ATOM 955 CB ASP A 66 -4.348 4.402 -4.613 1.00 0.00 C ATOM 956 CG ASP A 66 -5.561 3.530 -4.918 1.00 0.00 C ATOM 957 OD1 ASP A 66 -6.448 3.470 -4.083 1.00 0.00 O ATOM 958 OD2 ASP A 66 -5.585 2.937 -5.985 1.00 0.00 O ATOM 0 H ASP A 66 -2.427 5.516 -3.534 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.999 3.227 -2.853 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.669 5.345 -4.171 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.823 4.645 -5.537 1.00 0.00 H new ATOM 963 N ILE A 67 -1.482 2.953 -4.914 1.00 0.00 N ATOM 964 CA ILE A 67 -0.628 2.035 -5.653 1.00 0.00 C ATOM 965 C ILE A 67 0.049 1.071 -4.696 1.00 0.00 C ATOM 966 O ILE A 67 -0.054 -0.146 -4.832 1.00 0.00 O ATOM 967 CB ILE A 67 0.439 2.841 -6.407 1.00 0.00 C ATOM 968 CG1 ILE A 67 -0.251 3.643 -7.511 1.00 0.00 C ATOM 969 CG2 ILE A 67 1.483 1.899 -7.024 1.00 0.00 C ATOM 970 CD1 ILE A 67 0.734 4.610 -8.191 1.00 0.00 C ATOM 0 H ILE A 67 -1.102 3.895 -4.823 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.233 1.467 -6.359 1.00 0.00 H new ATOM 0 HB ILE A 67 0.949 3.512 -5.716 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.668 2.962 -8.253 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.085 4.205 -7.090 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.233 2.485 -7.555 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.965 1.323 -6.234 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.993 1.219 -7.721 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.216 5.167 -8.972 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.131 5.305 -7.451 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.554 4.043 -8.632 1.00 0.00 H new ATOM 982 N LEU A 68 0.756 1.640 -3.736 1.00 0.00 N ATOM 983 CA LEU A 68 1.482 0.846 -2.751 1.00 0.00 C ATOM 984 C LEU A 68 0.552 -0.154 -2.049 1.00 0.00 C ATOM 985 O LEU A 68 0.875 -1.338 -1.951 1.00 0.00 O ATOM 986 CB LEU A 68 2.156 1.787 -1.727 1.00 0.00 C ATOM 987 CG LEU A 68 3.638 2.013 -2.107 1.00 0.00 C ATOM 988 CD1 LEU A 68 3.722 2.817 -3.406 1.00 0.00 C ATOM 989 CD2 LEU A 68 4.365 2.776 -0.999 1.00 0.00 C ATOM 0 H LEU A 68 0.845 2.649 -3.614 1.00 0.00 H new ATOM 0 HA LEU A 68 2.251 0.268 -3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.630 2.741 -1.698 1.00 0.00 H new ATOM 0 HB3 LEU A 68 2.090 1.356 -0.728 1.00 0.00 H new ATOM 0 HG LEU A 68 4.112 1.041 -2.241 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.768 2.974 -3.670 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.224 2.269 -4.206 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.234 3.782 -3.269 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.406 2.926 -1.283 1.00 0.00 H new ATOM 0 HD22 LEU A 68 3.887 3.744 -0.850 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.321 2.203 -0.073 1.00 0.00 H new ATOM 1001 N VAL A 69 -0.586 0.320 -1.552 1.00 0.00 N ATOM 1002 CA VAL A 69 -1.523 -0.563 -0.854 1.00 0.00 C ATOM 1003 C VAL A 69 -2.082 -1.624 -1.799 1.00 0.00 C ATOM 1004 O VAL A 69 -2.484 -2.704 -1.365 1.00 0.00 O ATOM 1005 CB VAL A 69 -2.687 0.240 -0.252 1.00 0.00 C ATOM 1006 CG1 VAL A 69 -2.156 1.407 0.611 1.00 0.00 C ATOM 1007 CG2 VAL A 69 -3.563 0.784 -1.385 1.00 0.00 C ATOM 0 H VAL A 69 -0.882 1.294 -1.616 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.972 -1.054 -0.052 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.278 -0.416 0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.996 1.963 1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.545 1.011 1.422 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.552 2.071 -0.007 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.390 1.355 -0.963 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.966 1.431 -2.028 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.956 -0.046 -1.971 1.00 0.00 H new ATOM 1017 N GLY A 70 -2.116 -1.308 -3.090 1.00 0.00 N ATOM 1018 CA GLY A 70 -2.639 -2.243 -4.080 1.00 0.00 C ATOM 1019 C GLY A 70 -1.636 -3.350 -4.373 1.00 0.00 C ATOM 1020 O GLY A 70 -2.015 -4.486 -4.666 1.00 0.00 O ATOM 0 H GLY A 70 -1.791 -0.420 -3.473 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.570 -2.678 -3.717 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.875 -1.709 -5.000 1.00 0.00 H new ATOM 1024 N GLN A 71 -0.353 -3.016 -4.286 1.00 0.00 N ATOM 1025 CA GLN A 71 0.703 -3.991 -4.541 1.00 0.00 C ATOM 1026 C GLN A 71 1.017 -4.757 -3.266 1.00 0.00 C ATOM 1027 O GLN A 71 1.106 -5.985 -3.270 1.00 0.00 O ATOM 1028 CB GLN A 71 1.957 -3.279 -5.043 1.00 0.00 C ATOM 1029 CG GLN A 71 1.618 -2.485 -6.304 1.00 0.00 C ATOM 1030 CD GLN A 71 2.753 -1.532 -6.649 1.00 0.00 C ATOM 1031 OE1 GLN A 71 3.064 -1.338 -7.824 1.00 0.00 O ATOM 1032 NE2 GLN A 71 3.394 -0.923 -5.695 1.00 0.00 N ATOM 0 H GLN A 71 -0.020 -2.083 -4.042 1.00 0.00 H new ATOM 0 HA GLN A 71 0.364 -4.693 -5.303 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.343 -2.612 -4.272 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.741 -4.006 -5.257 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.442 -3.168 -7.135 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.696 -1.924 -6.152 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.135 -1.085 -4.722 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.156 -0.283 -5.920 1.00 0.00 H new ATOM 1041 N ILE A 72 1.163 -4.021 -2.170 1.00 0.00 N ATOM 1042 CA ILE A 72 1.443 -4.633 -0.872 1.00 0.00 C ATOM 1043 C ILE A 72 0.538 -5.852 -0.689 1.00 0.00 C ATOM 1044 O ILE A 72 0.981 -6.917 -0.254 1.00 0.00 O ATOM 1045 CB ILE A 72 1.216 -3.571 0.236 1.00 0.00 C ATOM 1046 CG1 ILE A 72 2.526 -2.787 0.480 1.00 0.00 C ATOM 1047 CG2 ILE A 72 0.754 -4.214 1.556 1.00 0.00 C ATOM 1048 CD1 ILE A 72 2.204 -1.368 0.952 1.00 0.00 C ATOM 0 H ILE A 72 1.093 -3.004 -2.152 1.00 0.00 H new ATOM 0 HA ILE A 72 2.477 -4.973 -0.812 1.00 0.00 H new ATOM 0 HB ILE A 72 0.430 -2.897 -0.105 1.00 0.00 H new ATOM 0 HG12 ILE A 72 3.133 -3.299 1.227 1.00 0.00 H new ATOM 0 HG13 ILE A 72 3.114 -2.750 -0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.606 -3.438 2.307 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.184 -4.745 1.393 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.512 -4.915 1.904 1.00 0.00 H new ATOM 0 HD11 ILE A 72 3.132 -0.822 1.122 1.00 0.00 H new ATOM 0 HD12 ILE A 72 1.616 -0.856 0.191 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.635 -1.414 1.880 1.00 0.00 H new ATOM 1060 N ASP A 73 -0.726 -5.691 -1.058 1.00 0.00 N ATOM 1061 CA ASP A 73 -1.672 -6.787 -0.967 1.00 0.00 C ATOM 1062 C ASP A 73 -1.332 -7.819 -2.033 1.00 0.00 C ATOM 1063 O ASP A 73 -1.099 -8.988 -1.731 1.00 0.00 O ATOM 1064 CB ASP A 73 -3.098 -6.275 -1.173 1.00 0.00 C ATOM 1065 CG ASP A 73 -4.097 -7.404 -0.943 1.00 0.00 C ATOM 1066 OD1 ASP A 73 -4.375 -7.696 0.208 1.00 0.00 O ATOM 1067 OD2 ASP A 73 -4.567 -7.959 -1.922 1.00 0.00 O ATOM 0 H ASP A 73 -1.114 -4.820 -1.419 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.609 -7.241 0.022 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.301 -5.454 -0.486 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.209 -5.881 -2.183 1.00 0.00 H new ATOM 1072 N ASP A 74 -1.282 -7.362 -3.285 1.00 0.00 N ATOM 1073 CA ASP A 74 -0.952 -8.233 -4.405 1.00 0.00 C ATOM 1074 C ASP A 74 0.215 -9.142 -4.042 1.00 0.00 C ATOM 1075 O ASP A 74 0.276 -10.295 -4.469 1.00 0.00 O ATOM 1076 CB ASP A 74 -0.574 -7.393 -5.627 1.00 0.00 C ATOM 1077 CG ASP A 74 -0.645 -8.242 -6.893 1.00 0.00 C ATOM 1078 OD1 ASP A 74 -1.687 -8.830 -7.129 1.00 0.00 O ATOM 1079 OD2 ASP A 74 0.343 -8.291 -7.605 1.00 0.00 O ATOM 0 H ASP A 74 -1.466 -6.393 -3.545 1.00 0.00 H new ATOM 0 HA ASP A 74 -1.825 -8.843 -4.637 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.248 -6.541 -5.714 1.00 0.00 H new ATOM 0 HB3 ASP A 74 0.432 -6.993 -5.505 1.00 0.00 H new ATOM 1084 N ALA A 75 1.137 -8.615 -3.245 1.00 0.00 N ATOM 1085 CA ALA A 75 2.290 -9.390 -2.829 1.00 0.00 C ATOM 1086 C ALA A 75 1.837 -10.524 -1.923 1.00 0.00 C ATOM 1087 O ALA A 75 1.872 -11.690 -2.317 1.00 0.00 O ATOM 1088 CB ALA A 75 3.299 -8.505 -2.100 1.00 0.00 C ATOM 0 H ALA A 75 1.106 -7.663 -2.879 1.00 0.00 H new ATOM 0 HA ALA A 75 2.776 -9.804 -3.713 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.157 -9.105 -1.796 1.00 0.00 H new ATOM 0 HB2 ALA A 75 3.631 -7.708 -2.765 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.830 -8.069 -1.218 1.00 0.00 H new ATOM 1094 N LEU A 76 1.386 -10.185 -0.714 1.00 0.00 N ATOM 1095 CA LEU A 76 0.912 -11.224 0.196 1.00 0.00 C ATOM 1096 C LEU A 76 -0.116 -12.084 -0.517 1.00 0.00 C ATOM 1097 O LEU A 76 -0.075 -13.302 -0.441 1.00 0.00 O ATOM 1098 CB LEU A 76 0.264 -10.632 1.449 1.00 0.00 C ATOM 1099 CG LEU A 76 0.088 -11.746 2.515 1.00 0.00 C ATOM 1100 CD1 LEU A 76 1.356 -11.859 3.370 1.00 0.00 C ATOM 1101 CD2 LEU A 76 -1.095 -11.404 3.428 1.00 0.00 C ATOM 0 H LEU A 76 1.340 -9.232 -0.352 1.00 0.00 H new ATOM 0 HA LEU A 76 1.775 -11.816 0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.883 -9.828 1.846 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.703 -10.196 1.200 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.096 -12.692 2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.224 -12.643 4.115 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.205 -12.105 2.732 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.542 -10.909 3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -1.216 -12.188 4.176 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.907 -10.453 3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.004 -11.327 2.832 1.00 0.00 H new ATOM 1113 N LYS A 77 -1.030 -11.428 -1.227 1.00 0.00 N ATOM 1114 CA LYS A 77 -2.069 -12.126 -1.980 1.00 0.00 C ATOM 1115 C LYS A 77 -1.478 -13.377 -2.624 1.00 0.00 C ATOM 1116 O LYS A 77 -1.991 -14.483 -2.463 1.00 0.00 O ATOM 1117 CB LYS A 77 -2.623 -11.159 -3.042 1.00 0.00 C ATOM 1118 CG LYS A 77 -3.897 -11.716 -3.702 1.00 0.00 C ATOM 1119 CD LYS A 77 -3.545 -12.770 -4.796 1.00 0.00 C ATOM 1120 CE LYS A 77 -4.077 -14.167 -4.415 1.00 0.00 C ATOM 1121 NZ LYS A 77 -5.472 -14.316 -4.918 1.00 0.00 N ATOM 0 H LYS A 77 -1.072 -10.411 -1.297 1.00 0.00 H new ATOM 0 HA LYS A 77 -2.881 -12.441 -1.324 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -2.842 -10.196 -2.580 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.865 -10.981 -3.805 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.534 -12.172 -2.944 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.466 -10.900 -4.148 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.972 -12.463 -5.751 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.464 -12.813 -4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.439 -14.941 -4.842 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -4.053 -14.296 -3.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -5.792 -15.294 -4.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -6.098 -13.664 -4.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -5.500 -14.094 -5.934 1.00 0.00 H new ATOM 1135 N LEU A 78 -0.374 -13.188 -3.321 1.00 0.00 N ATOM 1136 CA LEU A 78 0.316 -14.297 -3.973 1.00 0.00 C ATOM 1137 C LEU A 78 0.899 -15.267 -2.937 1.00 0.00 C ATOM 1138 O LEU A 78 0.590 -16.456 -2.936 1.00 0.00 O ATOM 1139 CB LEU A 78 1.427 -13.736 -4.855 1.00 0.00 C ATOM 1140 CG LEU A 78 2.276 -14.867 -5.465 1.00 0.00 C ATOM 1141 CD1 LEU A 78 1.393 -15.992 -6.022 1.00 0.00 C ATOM 1142 CD2 LEU A 78 3.106 -14.294 -6.607 1.00 0.00 C ATOM 0 H LEU A 78 0.069 -12.279 -3.453 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.397 -14.852 -4.583 1.00 0.00 H new ATOM 0 HB2 LEU A 78 0.993 -13.133 -5.652 1.00 0.00 H new ATOM 0 HB3 LEU A 78 2.064 -13.076 -4.267 1.00 0.00 H new ATOM 0 HG LEU A 78 2.912 -15.280 -4.682 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.024 -16.774 -6.445 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.786 -16.410 -5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.741 -15.592 -6.799 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.713 -15.085 -7.048 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.443 -13.879 -7.366 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.757 -13.508 -6.225 1.00 0.00 H new ATOM 1154 N ALA A 79 1.744 -14.749 -2.054 1.00 0.00 N ATOM 1155 CA ALA A 79 2.371 -15.572 -1.019 1.00 0.00 C ATOM 1156 C ALA A 79 1.343 -16.398 -0.251 1.00 0.00 C ATOM 1157 O ALA A 79 1.547 -17.591 -0.022 1.00 0.00 O ATOM 1158 CB ALA A 79 3.107 -14.673 -0.034 1.00 0.00 C ATOM 0 H ALA A 79 2.013 -13.765 -2.031 1.00 0.00 H new ATOM 0 HA ALA A 79 3.062 -16.255 -1.513 1.00 0.00 H new ATOM 0 HB1 ALA A 79 3.575 -15.285 0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.874 -14.106 -0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 79 2.400 -13.984 0.428 1.00 0.00 H new ATOM 1164 N ASN A 80 0.246 -15.767 0.157 1.00 0.00 N ATOM 1165 CA ASN A 80 -0.772 -16.477 0.906 1.00 0.00 C ATOM 1166 C ASN A 80 -1.391 -17.544 0.014 1.00 0.00 C ATOM 1167 O ASN A 80 -1.926 -18.544 0.493 1.00 0.00 O ATOM 1168 CB ASN A 80 -1.848 -15.501 1.450 1.00 0.00 C ATOM 1169 CG ASN A 80 -3.065 -15.393 0.524 1.00 0.00 C ATOM 1170 OD1 ASN A 80 -3.705 -16.398 0.211 1.00 0.00 O ATOM 1171 ND2 ASN A 80 -3.436 -14.225 0.082 1.00 0.00 N ATOM 0 H ASN A 80 0.045 -14.782 -0.017 1.00 0.00 H new ATOM 0 HA ASN A 80 -0.314 -16.958 1.771 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -2.173 -15.836 2.435 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.406 -14.513 1.580 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.254 -14.144 -0.521 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -2.908 -13.391 0.339 1.00 0.00 H new ATOM 1178 N GLU A 81 -1.315 -17.308 -1.293 1.00 0.00 N ATOM 1179 CA GLU A 81 -1.874 -18.240 -2.256 1.00 0.00 C ATOM 1180 C GLU A 81 -0.993 -19.475 -2.386 1.00 0.00 C ATOM 1181 O GLU A 81 -1.482 -20.600 -2.274 1.00 0.00 O ATOM 1182 CB GLU A 81 -2.033 -17.570 -3.627 1.00 0.00 C ATOM 1183 CG GLU A 81 -3.023 -18.368 -4.483 1.00 0.00 C ATOM 1184 CD GLU A 81 -4.439 -18.206 -3.938 1.00 0.00 C ATOM 1185 OE1 GLU A 81 -4.881 -17.076 -3.818 1.00 0.00 O ATOM 1186 OE2 GLU A 81 -5.061 -19.216 -3.652 1.00 0.00 O ATOM 0 H GLU A 81 -0.874 -16.485 -1.703 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.856 -18.545 -1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.388 -16.547 -3.503 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.067 -17.514 -4.129 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.981 -18.024 -5.516 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.745 -19.422 -4.487 1.00 0.00 H new ATOM 1193 N GLY A 82 0.309 -19.276 -2.633 1.00 0.00 N ATOM 1194 CA GLY A 82 1.221 -20.402 -2.781 1.00 0.00 C ATOM 1195 C GLY A 82 2.525 -20.182 -2.022 1.00 0.00 C ATOM 1196 O GLY A 82 2.640 -20.551 -0.852 1.00 0.00 O ATOM 0 H GLY A 82 0.743 -18.358 -2.732 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.739 -21.310 -2.418 1.00 0.00 H new ATOM 0 HA3 GLY A 82 1.438 -20.557 -3.838 1.00 0.00 H new ATOM 1200 N LYS A 83 3.532 -19.657 -2.718 1.00 0.00 N ATOM 1201 CA LYS A 83 4.867 -19.482 -2.127 1.00 0.00 C ATOM 1202 C LYS A 83 5.251 -18.020 -1.873 1.00 0.00 C ATOM 1203 O LYS A 83 4.960 -17.124 -2.674 1.00 0.00 O ATOM 1204 CB LYS A 83 5.884 -20.136 -3.078 1.00 0.00 C ATOM 1205 CG LYS A 83 7.272 -20.251 -2.424 1.00 0.00 C ATOM 1206 CD LYS A 83 7.369 -21.496 -1.526 1.00 0.00 C ATOM 1207 CE LYS A 83 7.219 -22.788 -2.354 1.00 0.00 C ATOM 1208 NZ LYS A 83 5.803 -23.252 -2.295 1.00 0.00 N ATOM 0 H LYS A 83 3.455 -19.346 -3.686 1.00 0.00 H new ATOM 0 HA LYS A 83 4.863 -19.953 -1.144 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.532 -21.127 -3.364 1.00 0.00 H new ATOM 0 HB3 LYS A 83 5.959 -19.548 -3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 83 8.038 -20.299 -3.198 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.472 -19.358 -1.832 1.00 0.00 H new ATOM 0 HD2 LYS A 83 8.328 -21.501 -1.008 1.00 0.00 H new ATOM 0 HD3 LYS A 83 6.594 -21.458 -0.761 1.00 0.00 H new ATOM 0 HE2 LYS A 83 7.511 -22.606 -3.388 1.00 0.00 H new ATOM 0 HE3 LYS A 83 7.883 -23.561 -1.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.753 -24.150 -1.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.223 -22.537 -1.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 5.443 -23.393 -3.261 1.00 0.00 H new ATOM 1222 N VAL A 84 5.938 -17.806 -0.746 1.00 0.00 N ATOM 1223 CA VAL A 84 6.397 -16.474 -0.362 1.00 0.00 C ATOM 1224 C VAL A 84 7.606 -16.059 -1.200 1.00 0.00 C ATOM 1225 O VAL A 84 7.855 -14.870 -1.403 1.00 0.00 O ATOM 1226 CB VAL A 84 6.794 -16.468 1.121 1.00 0.00 C ATOM 1227 CG1 VAL A 84 7.383 -15.092 1.496 1.00 0.00 C ATOM 1228 CG2 VAL A 84 5.567 -16.773 2.011 1.00 0.00 C ATOM 0 H VAL A 84 6.187 -18.542 -0.085 1.00 0.00 H new ATOM 0 HA VAL A 84 5.583 -15.769 -0.533 1.00 0.00 H new ATOM 0 HB VAL A 84 7.545 -17.241 1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.664 -15.091 2.549 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.264 -14.895 0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.638 -14.317 1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.867 -16.765 3.059 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.801 -16.015 1.847 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.167 -17.754 1.756 1.00 0.00 H new ATOM 1238 N LYS A 85 8.347 -17.050 -1.688 1.00 0.00 N ATOM 1239 CA LYS A 85 9.523 -16.800 -2.508 1.00 0.00 C ATOM 1240 C LYS A 85 9.076 -16.294 -3.859 1.00 0.00 C ATOM 1241 O LYS A 85 9.745 -15.484 -4.496 1.00 0.00 O ATOM 1242 CB LYS A 85 10.330 -18.088 -2.687 1.00 0.00 C ATOM 1243 CG LYS A 85 10.573 -18.748 -1.326 1.00 0.00 C ATOM 1244 CD LYS A 85 11.470 -17.849 -0.463 1.00 0.00 C ATOM 1245 CE LYS A 85 12.090 -18.673 0.668 1.00 0.00 C ATOM 1246 NZ LYS A 85 13.190 -19.515 0.120 1.00 0.00 N ATOM 0 H LYS A 85 8.150 -18.038 -1.527 1.00 0.00 H new ATOM 0 HA LYS A 85 10.154 -16.058 -2.018 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.794 -18.774 -3.343 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.283 -17.866 -3.168 1.00 0.00 H new ATOM 0 HG2 LYS A 85 9.623 -18.921 -0.821 1.00 0.00 H new ATOM 0 HG3 LYS A 85 11.043 -19.722 -1.463 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.255 -17.406 -1.076 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.887 -17.026 -0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 85 12.475 -18.013 1.445 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.331 -19.303 1.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 13.812 -19.821 0.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 12.787 -20.350 -0.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 13.740 -18.962 -0.568 1.00 0.00 H new ATOM 1260 N GLU A 86 7.916 -16.766 -4.276 1.00 0.00 N ATOM 1261 CA GLU A 86 7.356 -16.342 -5.537 1.00 0.00 C ATOM 1262 C GLU A 86 6.919 -14.890 -5.399 1.00 0.00 C ATOM 1263 O GLU A 86 6.948 -14.115 -6.356 1.00 0.00 O ATOM 1264 CB GLU A 86 6.156 -17.221 -5.896 1.00 0.00 C ATOM 1265 CG GLU A 86 5.711 -16.906 -7.318 1.00 0.00 C ATOM 1266 CD GLU A 86 6.642 -17.579 -8.324 1.00 0.00 C ATOM 1267 OE1 GLU A 86 6.552 -18.787 -8.469 1.00 0.00 O ATOM 1268 OE2 GLU A 86 7.429 -16.875 -8.935 1.00 0.00 O ATOM 0 H GLU A 86 7.349 -17.439 -3.760 1.00 0.00 H new ATOM 0 HA GLU A 86 8.098 -16.435 -6.330 1.00 0.00 H new ATOM 0 HB2 GLU A 86 6.423 -18.274 -5.811 1.00 0.00 H new ATOM 0 HB3 GLU A 86 5.338 -17.042 -5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.688 -17.250 -7.471 1.00 0.00 H new ATOM 0 HG3 GLU A 86 5.711 -15.828 -7.476 1.00 0.00 H new ATOM 1275 N ALA A 87 6.532 -14.541 -4.180 1.00 0.00 N ATOM 1276 CA ALA A 87 6.097 -13.192 -3.860 1.00 0.00 C ATOM 1277 C ALA A 87 7.305 -12.308 -3.576 1.00 0.00 C ATOM 1278 O ALA A 87 7.410 -11.200 -4.102 1.00 0.00 O ATOM 1279 CB ALA A 87 5.183 -13.217 -2.637 1.00 0.00 C ATOM 0 H ALA A 87 6.511 -15.184 -3.388 1.00 0.00 H new ATOM 0 HA ALA A 87 5.549 -12.788 -4.711 1.00 0.00 H new ATOM 0 HB1 ALA A 87 4.861 -12.202 -2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 87 4.310 -13.835 -2.847 1.00 0.00 H new ATOM 0 HB3 ALA A 87 5.725 -13.631 -1.786 1.00 0.00 H new ATOM 1285 N GLN A 88 8.230 -12.807 -2.747 1.00 0.00 N ATOM 1286 CA GLN A 88 9.434 -12.045 -2.423 1.00 0.00 C ATOM 1287 C GLN A 88 10.027 -11.499 -3.719 1.00 0.00 C ATOM 1288 O GLN A 88 10.541 -10.381 -3.767 1.00 0.00 O ATOM 1289 CB GLN A 88 10.428 -12.932 -1.622 1.00 0.00 C ATOM 1290 CG GLN A 88 11.488 -13.588 -2.528 1.00 0.00 C ATOM 1291 CD GLN A 88 12.628 -12.616 -2.779 1.00 0.00 C ATOM 1292 OE1 GLN A 88 13.735 -13.019 -3.137 1.00 0.00 O ATOM 1293 NE2 GLN A 88 12.409 -11.351 -2.607 1.00 0.00 N ATOM 0 H GLN A 88 8.167 -13.720 -2.297 1.00 0.00 H new ATOM 0 HA GLN A 88 9.198 -11.196 -1.781 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.925 -12.325 -0.866 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.874 -13.708 -1.094 1.00 0.00 H new ATOM 0 HG2 GLN A 88 11.869 -14.495 -2.059 1.00 0.00 H new ATOM 0 HG3 GLN A 88 11.036 -13.884 -3.475 1.00 0.00 H new ATOM 0 HE21 GLN A 88 11.488 -11.029 -2.310 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.158 -10.677 -2.768 1.00 0.00 H new ATOM 1302 N ALA A 89 9.894 -12.282 -4.781 1.00 0.00 N ATOM 1303 CA ALA A 89 10.362 -11.856 -6.085 1.00 0.00 C ATOM 1304 C ALA A 89 9.347 -10.876 -6.644 1.00 0.00 C ATOM 1305 O ALA A 89 9.698 -9.809 -7.164 1.00 0.00 O ATOM 1306 CB ALA A 89 10.502 -13.058 -7.022 1.00 0.00 C ATOM 0 H ALA A 89 9.468 -13.209 -4.762 1.00 0.00 H new ATOM 0 HA ALA A 89 11.341 -11.385 -5.997 1.00 0.00 H new ATOM 0 HB1 ALA A 89 10.854 -12.720 -7.997 1.00 0.00 H new ATOM 0 HB2 ALA A 89 11.218 -13.765 -6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 89 9.534 -13.546 -7.135 1.00 0.00 H new ATOM 1312 N ALA A 90 8.070 -11.222 -6.493 1.00 0.00 N ATOM 1313 CA ALA A 90 7.024 -10.332 -6.959 1.00 0.00 C ATOM 1314 C ALA A 90 7.121 -9.023 -6.186 1.00 0.00 C ATOM 1315 O ALA A 90 6.514 -8.023 -6.556 1.00 0.00 O ATOM 1316 CB ALA A 90 5.641 -10.968 -6.762 1.00 0.00 C ATOM 0 H ALA A 90 7.746 -12.089 -6.063 1.00 0.00 H new ATOM 0 HA ALA A 90 7.153 -10.144 -8.025 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.871 -10.283 -7.118 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.586 -11.900 -7.324 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.482 -11.173 -5.703 1.00 0.00 H new ATOM 1322 N ALA A 91 7.902 -9.049 -5.107 1.00 0.00 N ATOM 1323 CA ALA A 91 8.091 -7.867 -4.272 1.00 0.00 C ATOM 1324 C ALA A 91 9.154 -6.946 -4.870 1.00 0.00 C ATOM 1325 O ALA A 91 9.029 -5.718 -4.819 1.00 0.00 O ATOM 1326 CB ALA A 91 8.505 -8.286 -2.856 1.00 0.00 C ATOM 0 H ALA A 91 8.412 -9.874 -4.792 1.00 0.00 H new ATOM 0 HA ALA A 91 7.147 -7.324 -4.227 1.00 0.00 H new ATOM 0 HB1 ALA A 91 8.644 -7.398 -2.240 1.00 0.00 H new ATOM 0 HB2 ALA A 91 7.727 -8.912 -2.420 1.00 0.00 H new ATOM 0 HB3 ALA A 91 9.439 -8.846 -2.901 1.00 0.00 H new ATOM 1332 N GLU A 92 10.202 -7.541 -5.430 1.00 0.00 N ATOM 1333 CA GLU A 92 11.277 -6.754 -6.021 1.00 0.00 C ATOM 1334 C GLU A 92 10.740 -5.875 -7.155 1.00 0.00 C ATOM 1335 O GLU A 92 11.189 -4.739 -7.343 1.00 0.00 O ATOM 1336 CB GLU A 92 12.411 -7.683 -6.516 1.00 0.00 C ATOM 1337 CG GLU A 92 12.183 -8.123 -7.973 1.00 0.00 C ATOM 1338 CD GLU A 92 12.667 -7.042 -8.936 1.00 0.00 C ATOM 1339 OE1 GLU A 92 13.019 -5.972 -8.466 1.00 0.00 O ATOM 1340 OE2 GLU A 92 12.678 -7.298 -10.128 1.00 0.00 O ATOM 0 H GLU A 92 10.329 -8.551 -5.487 1.00 0.00 H new ATOM 0 HA GLU A 92 11.691 -6.094 -5.259 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.367 -7.166 -6.436 1.00 0.00 H new ATOM 0 HB3 GLU A 92 12.469 -8.562 -5.874 1.00 0.00 H new ATOM 0 HG2 GLU A 92 12.714 -9.055 -8.166 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.124 -8.319 -8.139 1.00 0.00 H new ATOM 1347 N GLN A 93 9.780 -6.395 -7.915 1.00 0.00 N ATOM 1348 CA GLN A 93 9.228 -5.613 -9.016 1.00 0.00 C ATOM 1349 C GLN A 93 8.451 -4.415 -8.482 1.00 0.00 C ATOM 1350 O GLN A 93 8.141 -3.484 -9.225 1.00 0.00 O ATOM 1351 CB GLN A 93 8.320 -6.476 -9.896 1.00 0.00 C ATOM 1352 CG GLN A 93 7.362 -7.275 -9.021 1.00 0.00 C ATOM 1353 CD GLN A 93 6.379 -8.047 -9.894 1.00 0.00 C ATOM 1354 OE1 GLN A 93 6.758 -9.020 -10.545 1.00 0.00 O ATOM 1355 NE2 GLN A 93 5.132 -7.668 -9.948 1.00 0.00 N ATOM 0 H GLN A 93 9.379 -7.325 -7.795 1.00 0.00 H new ATOM 0 HA GLN A 93 10.058 -5.253 -9.624 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.758 -5.844 -10.584 1.00 0.00 H new ATOM 0 HB3 GLN A 93 8.922 -7.152 -10.503 1.00 0.00 H new ATOM 0 HG2 GLN A 93 7.922 -7.966 -8.391 1.00 0.00 H new ATOM 0 HG3 GLN A 93 6.820 -6.604 -8.354 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.820 -6.861 -9.407 1.00 0.00 H new ATOM 0 HE22 GLN A 93 4.469 -8.179 -10.531 1.00 0.00 H new ATOM 1364 N LEU A 94 8.150 -4.431 -7.183 1.00 0.00 N ATOM 1365 CA LEU A 94 7.416 -3.324 -6.572 1.00 0.00 C ATOM 1366 C LEU A 94 8.355 -2.179 -6.242 1.00 0.00 C ATOM 1367 O LEU A 94 8.217 -1.083 -6.784 1.00 0.00 O ATOM 1368 CB LEU A 94 6.709 -3.768 -5.288 1.00 0.00 C ATOM 1369 CG LEU A 94 5.832 -4.995 -5.556 1.00 0.00 C ATOM 1370 CD1 LEU A 94 5.033 -5.324 -4.289 1.00 0.00 C ATOM 1371 CD2 LEU A 94 4.868 -4.711 -6.721 1.00 0.00 C ATOM 0 H LEU A 94 8.398 -5.185 -6.543 1.00 0.00 H new ATOM 0 HA LEU A 94 6.670 -2.993 -7.294 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.448 -4.002 -4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.097 -2.953 -4.902 1.00 0.00 H new ATOM 0 HG LEU A 94 6.464 -5.842 -5.824 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.406 -6.197 -4.471 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.720 -5.536 -3.470 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.404 -4.474 -4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.249 -5.589 -6.904 1.00 0.00 H new ATOM 0 HD22 LEU A 94 4.230 -3.864 -6.467 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.441 -4.478 -7.619 1.00 0.00 H new ATOM 1383 N LYS A 95 9.315 -2.421 -5.348 1.00 0.00 N ATOM 1384 CA LYS A 95 10.255 -1.366 -4.978 1.00 0.00 C ATOM 1385 C LYS A 95 10.741 -0.646 -6.230 1.00 0.00 C ATOM 1386 O LYS A 95 11.060 0.539 -6.199 1.00 0.00 O ATOM 1387 CB LYS A 95 11.441 -1.937 -4.194 1.00 0.00 C ATOM 1388 CG LYS A 95 12.213 -2.944 -5.047 1.00 0.00 C ATOM 1389 CD LYS A 95 13.415 -3.459 -4.256 1.00 0.00 C ATOM 1390 CE LYS A 95 14.371 -4.196 -5.196 1.00 0.00 C ATOM 1391 NZ LYS A 95 15.509 -4.752 -4.411 1.00 0.00 N ATOM 0 H LYS A 95 9.460 -3.315 -4.878 1.00 0.00 H new ATOM 0 HA LYS A 95 9.740 -0.653 -4.333 1.00 0.00 H new ATOM 0 HB2 LYS A 95 12.104 -1.128 -3.886 1.00 0.00 H new ATOM 0 HB3 LYS A 95 11.084 -2.420 -3.284 1.00 0.00 H new ATOM 0 HG2 LYS A 95 11.564 -3.774 -5.327 1.00 0.00 H new ATOM 0 HG3 LYS A 95 12.546 -2.474 -5.972 1.00 0.00 H new ATOM 0 HD2 LYS A 95 13.930 -2.627 -3.776 1.00 0.00 H new ATOM 0 HD3 LYS A 95 13.081 -4.128 -3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 95 13.844 -4.999 -5.711 1.00 0.00 H new ATOM 0 HE3 LYS A 95 14.742 -3.515 -5.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 16.159 -5.253 -5.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 16.017 -3.977 -3.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 15.147 -5.415 -3.696 1.00 0.00 H new ATOM 1405 N THR A 96 10.764 -1.368 -7.341 1.00 0.00 N ATOM 1406 CA THR A 96 11.183 -0.772 -8.602 1.00 0.00 C ATOM 1407 C THR A 96 10.071 0.118 -9.151 1.00 0.00 C ATOM 1408 O THR A 96 10.326 1.190 -9.700 1.00 0.00 O ATOM 1409 CB THR A 96 11.497 -1.867 -9.618 1.00 0.00 C ATOM 1410 OG1 THR A 96 12.243 -2.899 -8.988 1.00 0.00 O ATOM 1411 CG2 THR A 96 12.304 -1.281 -10.779 1.00 0.00 C ATOM 0 H THR A 96 10.502 -2.352 -7.396 1.00 0.00 H new ATOM 0 HA THR A 96 12.076 -0.173 -8.426 1.00 0.00 H new ATOM 0 HB THR A 96 10.565 -2.279 -10.004 1.00 0.00 H new ATOM 0 HG1 THR A 96 11.632 -3.501 -8.513 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.525 -2.067 -11.501 1.00 0.00 H new ATOM 0 HG22 THR A 96 11.725 -0.495 -11.264 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.237 -0.864 -10.400 1.00 0.00 H new ATOM 1419 N THR A 97 8.833 -0.345 -8.997 1.00 0.00 N ATOM 1420 CA THR A 97 7.679 0.402 -9.478 1.00 0.00 C ATOM 1421 C THR A 97 7.541 1.721 -8.726 1.00 0.00 C ATOM 1422 O THR A 97 7.377 2.785 -9.336 1.00 0.00 O ATOM 1423 CB THR A 97 6.405 -0.426 -9.291 1.00 0.00 C ATOM 1424 OG1 THR A 97 6.586 -1.707 -9.877 1.00 0.00 O ATOM 1425 CG2 THR A 97 5.230 0.286 -9.964 1.00 0.00 C ATOM 0 H THR A 97 8.606 -1.230 -8.545 1.00 0.00 H new ATOM 0 HA THR A 97 7.825 0.613 -10.537 1.00 0.00 H new ATOM 0 HB THR A 97 6.196 -0.540 -8.227 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.139 -2.261 -9.288 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.323 -0.303 -9.831 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.094 1.269 -9.513 1.00 0.00 H new ATOM 0 HG23 THR A 97 5.435 0.401 -11.028 1.00 0.00 H new ATOM 1433 N ILE A 98 7.616 1.660 -7.400 1.00 0.00 N ATOM 1434 CA ILE A 98 7.501 2.876 -6.618 1.00 0.00 C ATOM 1435 C ILE A 98 8.635 3.809 -6.999 1.00 0.00 C ATOM 1436 O ILE A 98 8.518 5.027 -6.865 1.00 0.00 O ATOM 1437 CB ILE A 98 7.509 2.574 -5.099 1.00 0.00 C ATOM 1438 CG1 ILE A 98 8.946 2.548 -4.539 1.00 0.00 C ATOM 1439 CG2 ILE A 98 6.852 1.215 -4.850 1.00 0.00 C ATOM 1440 CD1 ILE A 98 8.915 2.115 -3.071 1.00 0.00 C ATOM 0 H ILE A 98 7.752 0.805 -6.861 1.00 0.00 H new ATOM 0 HA ILE A 98 6.547 3.356 -6.836 1.00 0.00 H new ATOM 0 HB ILE A 98 6.956 3.365 -4.592 1.00 0.00 H new ATOM 0 HG12 ILE A 98 9.561 1.860 -5.119 1.00 0.00 H new ATOM 0 HG13 ILE A 98 9.400 3.535 -4.628 1.00 0.00 H new ATOM 0 HG21 ILE A 98 6.856 0.999 -3.782 1.00 0.00 H new ATOM 0 HG22 ILE A 98 5.824 1.236 -5.212 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.407 0.440 -5.379 1.00 0.00 H new ATOM 0 HD11 ILE A 98 9.931 2.097 -2.676 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.314 2.820 -2.496 1.00 0.00 H new ATOM 0 HD13 ILE A 98 8.478 1.119 -2.994 1.00 0.00 H new ATOM 1452 N ARG A 99 9.741 3.233 -7.474 1.00 0.00 N ATOM 1453 CA ARG A 99 10.870 4.067 -7.856 1.00 0.00 C ATOM 1454 C ARG A 99 10.487 4.889 -9.073 1.00 0.00 C ATOM 1455 O ARG A 99 11.006 5.979 -9.278 1.00 0.00 O ATOM 1456 CB ARG A 99 12.153 3.231 -8.123 1.00 0.00 C ATOM 1457 CG ARG A 99 13.127 3.332 -6.927 1.00 0.00 C ATOM 1458 CD ARG A 99 13.515 4.805 -6.653 1.00 0.00 C ATOM 1459 NE ARG A 99 14.941 4.904 -6.355 1.00 0.00 N ATOM 1460 CZ ARG A 99 15.466 4.301 -5.293 1.00 0.00 C ATOM 1461 NH1 ARG A 99 14.704 3.610 -4.491 1.00 0.00 N ATOM 1462 NH2 ARG A 99 16.744 4.402 -5.053 1.00 0.00 N ATOM 0 H ARG A 99 9.874 2.229 -7.599 1.00 0.00 H new ATOM 0 HA ARG A 99 11.107 4.732 -7.026 1.00 0.00 H new ATOM 0 HB2 ARG A 99 11.885 2.188 -8.294 1.00 0.00 H new ATOM 0 HB3 ARG A 99 12.643 3.587 -9.029 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.664 2.903 -6.039 1.00 0.00 H new ATOM 0 HG3 ARG A 99 14.024 2.748 -7.133 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.274 5.420 -7.520 1.00 0.00 H new ATOM 0 HD3 ARG A 99 12.933 5.192 -5.816 1.00 0.00 H new ATOM 0 HE ARG A 99 15.545 5.446 -6.973 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.704 3.532 -4.679 1.00 0.00 H new ATOM 0 HH12 ARG A 99 15.108 3.148 -3.676 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.339 4.943 -5.680 1.00 0.00 H new ATOM 0 HH22 ARG A 99 17.148 3.940 -4.238 1.00 0.00 H new ATOM 1476 N ALA A 100 9.548 4.384 -9.856 1.00 0.00 N ATOM 1477 CA ALA A 100 9.093 5.132 -11.009 1.00 0.00 C ATOM 1478 C ALA A 100 8.357 6.358 -10.504 1.00 0.00 C ATOM 1479 O ALA A 100 8.502 7.452 -11.044 1.00 0.00 O ATOM 1480 CB ALA A 100 8.165 4.277 -11.874 1.00 0.00 C ATOM 0 H ALA A 100 9.096 3.480 -9.717 1.00 0.00 H new ATOM 0 HA ALA A 100 9.943 5.424 -11.626 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.834 4.857 -12.735 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.700 3.392 -12.217 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.299 3.972 -11.287 1.00 0.00 H new ATOM 1486 N TYR A 101 7.591 6.168 -9.432 1.00 0.00 N ATOM 1487 CA TYR A 101 6.855 7.271 -8.829 1.00 0.00 C ATOM 1488 C TYR A 101 7.827 8.147 -8.023 1.00 0.00 C ATOM 1489 O TYR A 101 7.893 9.369 -8.204 1.00 0.00 O ATOM 1490 CB TYR A 101 5.706 6.696 -7.946 1.00 0.00 C ATOM 1491 CG TYR A 101 5.658 7.369 -6.587 1.00 0.00 C ATOM 1492 CD1 TYR A 101 5.348 8.729 -6.499 1.00 0.00 C ATOM 1493 CD2 TYR A 101 5.930 6.637 -5.423 1.00 0.00 C ATOM 1494 CE1 TYR A 101 5.312 9.361 -5.250 1.00 0.00 C ATOM 1495 CE2 TYR A 101 5.893 7.267 -4.176 1.00 0.00 C ATOM 1496 CZ TYR A 101 5.583 8.629 -4.088 1.00 0.00 C ATOM 1497 OH TYR A 101 5.549 9.251 -2.856 1.00 0.00 O ATOM 0 H TYR A 101 7.466 5.268 -8.968 1.00 0.00 H new ATOM 0 HA TYR A 101 6.402 7.900 -9.595 1.00 0.00 H new ATOM 0 HB2 TYR A 101 4.752 6.833 -8.455 1.00 0.00 H new ATOM 0 HB3 TYR A 101 5.847 5.623 -7.817 1.00 0.00 H new ATOM 0 HD1 TYR A 101 5.136 9.293 -7.395 1.00 0.00 H new ATOM 0 HD2 TYR A 101 6.168 5.586 -5.490 1.00 0.00 H new ATOM 0 HE1 TYR A 101 5.075 10.413 -5.183 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.104 6.702 -3.280 1.00 0.00 H new ATOM 0 HH TYR A 101 5.760 8.600 -2.155 1.00 0.00 H new ATOM 1507 N ASN A 102 8.580 7.504 -7.138 1.00 0.00 N ATOM 1508 CA ASN A 102 9.544 8.213 -6.308 1.00 0.00 C ATOM 1509 C ASN A 102 10.531 8.992 -7.175 1.00 0.00 C ATOM 1510 O ASN A 102 10.893 10.125 -6.858 1.00 0.00 O ATOM 1511 CB ASN A 102 10.311 7.211 -5.426 1.00 0.00 C ATOM 1512 CG ASN A 102 10.871 7.911 -4.199 1.00 0.00 C ATOM 1513 OD1 ASN A 102 10.776 7.395 -3.085 1.00 0.00 O ATOM 1514 ND2 ASN A 102 11.448 9.063 -4.342 1.00 0.00 N ATOM 0 H ASN A 102 8.541 6.497 -6.978 1.00 0.00 H new ATOM 0 HA ASN A 102 9.003 8.917 -5.675 1.00 0.00 H new ATOM 0 HB2 ASN A 102 9.647 6.402 -5.121 1.00 0.00 H new ATOM 0 HB3 ASN A 102 11.122 6.759 -5.997 1.00 0.00 H new ATOM 0 HD21 ASN A 102 11.827 9.548 -3.529 1.00 0.00 H new ATOM 0 HD22 ASN A 102 11.523 9.484 -5.268 1.00 0.00 H new ATOM 1521 N GLN A 103 10.967 8.371 -8.266 1.00 0.00 N ATOM 1522 CA GLN A 103 11.923 9.009 -9.165 1.00 0.00 C ATOM 1523 C GLN A 103 11.221 9.974 -10.102 1.00 0.00 C ATOM 1524 O GLN A 103 11.782 11.008 -10.462 1.00 0.00 O ATOM 1525 CB GLN A 103 12.649 7.953 -9.997 1.00 0.00 C ATOM 1526 CG GLN A 103 13.831 8.585 -10.750 1.00 0.00 C ATOM 1527 CD GLN A 103 14.835 7.506 -11.152 1.00 0.00 C ATOM 1528 OE1 GLN A 103 16.039 7.675 -10.956 1.00 0.00 O ATOM 1529 NE2 GLN A 103 14.411 6.402 -11.702 1.00 0.00 N ATOM 0 H GLN A 103 10.677 7.435 -8.548 1.00 0.00 H new ATOM 0 HA GLN A 103 12.640 9.559 -8.556 1.00 0.00 H new ATOM 0 HB2 GLN A 103 13.008 7.153 -9.349 1.00 0.00 H new ATOM 0 HB3 GLN A 103 11.957 7.501 -10.707 1.00 0.00 H new ATOM 0 HG2 GLN A 103 13.470 9.106 -11.637 1.00 0.00 H new ATOM 0 HG3 GLN A 103 14.318 9.329 -10.119 1.00 0.00 H new ATOM 0 HE21 GLN A 103 13.414 6.263 -11.864 1.00 0.00 H new ATOM 0 HE22 GLN A 103 15.077 5.677 -11.970 1.00 0.00 H new ATOM 1538 N LYS A 104 9.991 9.636 -10.500 1.00 0.00 N ATOM 1539 CA LYS A 104 9.236 10.509 -11.404 1.00 0.00 C ATOM 1540 C LYS A 104 9.417 11.951 -10.956 1.00 0.00 C ATOM 1541 O LYS A 104 9.696 12.837 -11.764 1.00 0.00 O ATOM 1542 CB LYS A 104 7.737 10.128 -11.415 1.00 0.00 C ATOM 1543 CG LYS A 104 6.862 11.331 -11.840 1.00 0.00 C ATOM 1544 CD LYS A 104 5.539 10.837 -12.434 1.00 0.00 C ATOM 1545 CE LYS A 104 4.601 12.028 -12.646 1.00 0.00 C ATOM 1546 NZ LYS A 104 3.341 11.560 -13.291 1.00 0.00 N ATOM 0 H LYS A 104 9.505 8.784 -10.219 1.00 0.00 H new ATOM 0 HA LYS A 104 9.613 10.389 -12.420 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.575 9.296 -12.100 1.00 0.00 H new ATOM 0 HB3 LYS A 104 7.437 9.788 -10.424 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.667 11.970 -10.979 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.395 11.937 -12.573 1.00 0.00 H new ATOM 0 HD2 LYS A 104 5.720 10.329 -13.381 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.077 10.110 -11.766 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.378 12.504 -11.691 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.085 12.779 -13.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 2.704 12.369 -13.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 3.562 11.125 -14.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 2.877 10.859 -12.679 1.00 0.00 H new ATOM 1560 N TYR A 105 9.254 12.174 -9.655 1.00 0.00 N ATOM 1561 CA TYR A 105 9.402 13.524 -9.098 1.00 0.00 C ATOM 1562 C TYR A 105 10.765 13.668 -8.417 1.00 0.00 C ATOM 1563 O TYR A 105 11.290 14.774 -8.288 1.00 0.00 O ATOM 1564 CB TYR A 105 8.256 13.813 -8.093 1.00 0.00 C ATOM 1565 CG TYR A 105 7.232 14.734 -8.734 1.00 0.00 C ATOM 1566 CD1 TYR A 105 7.611 16.021 -9.137 1.00 0.00 C ATOM 1567 CD2 TYR A 105 5.922 14.294 -8.952 1.00 0.00 C ATOM 1568 CE1 TYR A 105 6.681 16.866 -9.751 1.00 0.00 C ATOM 1569 CE2 TYR A 105 4.994 15.135 -9.571 1.00 0.00 C ATOM 1570 CZ TYR A 105 5.372 16.423 -9.970 1.00 0.00 C ATOM 1571 OH TYR A 105 4.457 17.252 -10.584 1.00 0.00 O ATOM 0 H TYR A 105 9.023 11.453 -8.972 1.00 0.00 H new ATOM 0 HA TYR A 105 9.344 14.250 -9.909 1.00 0.00 H new ATOM 0 HB2 TYR A 105 7.781 12.880 -7.790 1.00 0.00 H new ATOM 0 HB3 TYR A 105 8.658 14.273 -7.190 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.623 16.361 -8.973 1.00 0.00 H new ATOM 0 HD2 TYR A 105 5.628 13.302 -8.641 1.00 0.00 H new ATOM 0 HE1 TYR A 105 6.973 17.860 -10.056 1.00 0.00 H new ATOM 0 HE2 TYR A 105 3.984 14.792 -9.742 1.00 0.00 H new ATOM 0 HH TYR A 105 4.019 16.770 -11.316 1.00 0.00 H new ATOM 1581 N GLY A 106 11.329 12.545 -7.987 1.00 0.00 N ATOM 1582 CA GLY A 106 12.626 12.566 -7.324 1.00 0.00 C ATOM 1583 C GLY A 106 12.645 13.590 -6.195 1.00 0.00 C ATOM 1584 O GLY A 106 11.712 13.594 -5.410 1.00 0.00 O ATOM 1585 OXT GLY A 106 13.592 14.357 -6.132 1.00 0.00 O ATOM 0 H GLY A 106 10.914 11.619 -8.084 1.00 0.00 H new ATOM 0 HA2 GLY A 106 12.851 11.576 -6.926 1.00 0.00 H new ATOM 0 HA3 GLY A 106 13.405 12.803 -8.048 1.00 0.00 H new