USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 629 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 88 GLN : amide:sc= -0.762 K(o=-5.4,f=-6.4) USER MOD Set 1.2: A 89 GLN : amide:sc= -4.63! C(o=-5.4!,f=-4.8!) USER MOD Set 2.1: A 78 THR OG1 : rot -168:sc= -2.34 USER MOD Set 2.2: A 80 GLN : amide:sc= 0.571 K(o=-4.2,f=-1.8) USER MOD Set 2.3: A 81 GLN : amide:sc= -2.42 K(o=-4.2,f=-1.8!) USER MOD Set 3.1: A 65 GLN : amide:sc= -0.513 X(o=-1.1,f=-1.4) USER MOD Set 3.2: A 100 ASN : amide:sc= -0.622 X(o=-1.1,f=-1.4) USER MOD Set 4.1: A 35 SER OG : rot -131:sc= 0.0336 USER MOD Set 4.2: A 47 SER OG : rot 27:sc= 0.258! USER MOD Single : A 22 HIS : no HD1:sc= -4.23! C(o=-4.2!,f=-5.6!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0147 X(o=-0.015,f=-0.4) USER MOD Single : A 27 LYS NZ :NH3+ -101:sc= -2.14 (180deg=-5.33!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 170:sc= 0 USER MOD Single : A 56 HIS : no HD1:sc= -5.68! C(o=-5.7!,f=-6.4!) USER MOD Single : A 57 GLN : amide:sc= -0.0122 K(o=-0.012,f=-1.5) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -4.98! C(o=-5!,f=-8.9!) USER MOD Single : A 73 ASN : amide:sc= -0.671 K(o=-0.67,f=-3.1) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 90 CYS SG : rot 74:sc= -0.929 USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -1.14 K(o=-1.1,f=-2.3!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 17 -1.339 -8.907 -1.091 1.00 0.00 N ATOM 230 CA VAL A 17 -0.934 -7.594 -0.619 1.00 0.00 C ATOM 231 C VAL A 17 -2.041 -7.007 0.258 1.00 0.00 C ATOM 232 O VAL A 17 -3.224 -7.206 -0.014 1.00 0.00 O ATOM 233 CB VAL A 17 -0.575 -6.699 -1.808 1.00 0.00 C ATOM 234 CG1 VAL A 17 -1.806 -6.411 -2.669 1.00 0.00 C ATOM 235 CG2 VAL A 17 0.081 -5.400 -1.337 1.00 0.00 C ATOM 0 HA VAL A 17 -0.038 -7.669 -0.003 1.00 0.00 H new ATOM 0 HB VAL A 17 0.147 -7.234 -2.425 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.523 -5.773 -3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.212 -7.349 -3.048 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.561 -5.905 -2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.326 -4.782 -2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.608 -4.859 -0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 17 0.993 -5.632 -0.786 1.00 0.00 H new ATOM 245 N GLU A 18 -1.618 -6.294 1.292 1.00 0.00 N ATOM 246 CA GLU A 18 -2.560 -5.677 2.210 1.00 0.00 C ATOM 247 C GLU A 18 -3.706 -5.024 1.436 1.00 0.00 C ATOM 248 O GLU A 18 -3.520 -3.985 0.803 1.00 0.00 O ATOM 249 CB GLU A 18 -1.859 -4.661 3.114 1.00 0.00 C ATOM 250 CG GLU A 18 -0.551 -5.230 3.667 1.00 0.00 C ATOM 251 CD GLU A 18 -0.352 -4.824 5.129 1.00 0.00 C ATOM 252 OE1 GLU A 18 -0.641 -3.648 5.436 1.00 0.00 O ATOM 253 OE2 GLU A 18 0.086 -5.700 5.906 1.00 0.00 O ATOM 0 H GLU A 18 -0.636 -6.130 1.514 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.977 -6.455 2.849 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.655 -3.749 2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.518 -4.387 3.938 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.560 -6.317 3.586 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.287 -4.872 3.069 1.00 0.00 H new ATOM 260 N GLU A 19 -4.867 -5.659 1.511 1.00 0.00 N ATOM 261 CA GLU A 19 -6.043 -5.152 0.825 1.00 0.00 C ATOM 262 C GLU A 19 -6.085 -3.624 0.902 1.00 0.00 C ATOM 263 O GLU A 19 -5.490 -3.028 1.798 1.00 0.00 O ATOM 264 CB GLU A 19 -7.321 -5.766 1.401 1.00 0.00 C ATOM 265 CG GLU A 19 -7.351 -7.279 1.178 1.00 0.00 C ATOM 266 CD GLU A 19 -7.417 -8.029 2.510 1.00 0.00 C ATOM 267 OE1 GLU A 19 -8.236 -7.611 3.356 1.00 0.00 O ATOM 268 OE2 GLU A 19 -6.647 -9.003 2.652 1.00 0.00 O ATOM 0 H GLU A 19 -5.018 -6.520 2.037 1.00 0.00 H new ATOM 0 HA GLU A 19 -5.981 -5.442 -0.224 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -7.383 -5.551 2.468 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.192 -5.308 0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.213 -7.543 0.565 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.462 -7.587 0.627 1.00 0.00 H new ATOM 275 N PRO A 20 -6.814 -3.020 -0.074 1.00 0.00 N ATOM 276 CA PRO A 20 -6.942 -1.573 -0.125 1.00 0.00 C ATOM 277 C PRO A 20 -7.904 -1.070 0.953 1.00 0.00 C ATOM 278 O PRO A 20 -8.965 -1.654 1.166 1.00 0.00 O ATOM 279 CB PRO A 20 -7.420 -1.270 -1.536 1.00 0.00 C ATOM 280 CG PRO A 20 -7.986 -2.575 -2.073 1.00 0.00 C ATOM 281 CD PRO A 20 -7.533 -3.694 -1.151 1.00 0.00 C ATOM 0 HA PRO A 20 -6.003 -1.060 0.082 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -8.179 -0.487 -1.532 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.599 -0.915 -2.159 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.074 -2.531 -2.114 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -7.636 -2.753 -3.090 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -8.383 -4.259 -0.767 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -6.890 -4.402 -1.674 1.00 0.00 H new ATOM 289 N ARG A 21 -7.498 0.010 1.606 1.00 0.00 N ATOM 290 CA ARG A 21 -8.310 0.599 2.657 1.00 0.00 C ATOM 291 C ARG A 21 -8.699 2.032 2.287 1.00 0.00 C ATOM 292 O ARG A 21 -8.176 2.592 1.325 1.00 0.00 O ATOM 293 CB ARG A 21 -7.561 0.609 3.991 1.00 0.00 C ATOM 294 CG ARG A 21 -6.486 1.697 4.008 1.00 0.00 C ATOM 295 CD ARG A 21 -5.445 1.422 5.095 1.00 0.00 C ATOM 296 NE ARG A 21 -5.754 2.219 6.304 1.00 0.00 N ATOM 297 CZ ARG A 21 -4.941 2.321 7.365 1.00 0.00 C ATOM 298 NH1 ARG A 21 -3.766 1.677 7.372 1.00 0.00 N ATOM 299 NH2 ARG A 21 -5.304 3.066 8.417 1.00 0.00 N ATOM 0 H ARG A 21 -6.617 0.492 1.427 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.208 -0.009 2.762 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.265 0.776 4.806 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.101 -0.364 4.161 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -5.997 1.745 3.035 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -6.949 2.668 4.181 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.436 0.360 5.342 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.449 1.673 4.729 1.00 0.00 H new ATOM 0 HE ARG A 21 -6.641 2.722 6.331 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -3.491 1.110 6.570 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.147 1.754 8.179 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.199 3.556 8.411 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -4.686 3.144 9.224 1.00 0.00 H new ATOM 313 N HIS A 22 -9.614 2.583 3.071 1.00 0.00 N ATOM 314 CA HIS A 22 -10.079 3.940 2.838 1.00 0.00 C ATOM 315 C HIS A 22 -9.716 4.820 4.036 1.00 0.00 C ATOM 316 O HIS A 22 -10.197 4.593 5.145 1.00 0.00 O ATOM 317 CB HIS A 22 -11.576 3.955 2.523 1.00 0.00 C ATOM 318 CG HIS A 22 -11.983 2.997 1.429 1.00 0.00 C ATOM 319 ND1 HIS A 22 -11.539 1.687 1.376 1.00 0.00 N ATOM 320 CD2 HIS A 22 -12.797 3.171 0.349 1.00 0.00 C ATOM 321 CE1 HIS A 22 -12.068 1.109 0.308 1.00 0.00 C ATOM 322 NE2 HIS A 22 -12.846 2.031 -0.328 1.00 0.00 N ATOM 0 H HIS A 22 -10.046 2.115 3.868 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.579 4.354 1.963 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -12.130 3.712 3.430 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -11.866 4.965 2.234 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -13.314 4.083 0.089 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.911 0.087 -0.004 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -13.378 1.871 -1.183 1.00 0.00 H new ATOM 330 N VAL A 23 -8.871 5.805 3.772 1.00 0.00 N ATOM 331 CA VAL A 23 -8.438 6.720 4.814 1.00 0.00 C ATOM 332 C VAL A 23 -9.078 8.090 4.583 1.00 0.00 C ATOM 333 O VAL A 23 -8.849 8.720 3.551 1.00 0.00 O ATOM 334 CB VAL A 23 -6.910 6.774 4.862 1.00 0.00 C ATOM 335 CG1 VAL A 23 -6.430 7.873 5.812 1.00 0.00 C ATOM 336 CG2 VAL A 23 -6.325 5.416 5.253 1.00 0.00 C ATOM 0 H VAL A 23 -8.474 5.990 2.851 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.768 6.368 5.792 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.552 7.016 3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.340 7.890 5.828 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.803 8.838 5.470 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.804 7.675 6.816 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.237 5.482 5.280 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.695 5.130 6.238 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -6.625 4.666 4.521 1.00 0.00 H new ATOM 346 N LYS A 24 -9.868 8.511 5.559 1.00 0.00 N ATOM 347 CA LYS A 24 -10.543 9.795 5.475 1.00 0.00 C ATOM 348 C LYS A 24 -9.556 10.910 5.827 1.00 0.00 C ATOM 349 O LYS A 24 -8.558 10.669 6.505 1.00 0.00 O ATOM 350 CB LYS A 24 -11.805 9.796 6.341 1.00 0.00 C ATOM 351 CG LYS A 24 -13.062 9.668 5.478 1.00 0.00 C ATOM 352 CD LYS A 24 -14.320 9.973 6.293 1.00 0.00 C ATOM 353 CE LYS A 24 -15.457 10.453 5.389 1.00 0.00 C ATOM 354 NZ LYS A 24 -16.732 10.499 6.139 1.00 0.00 N ATOM 0 H LYS A 24 -10.056 7.986 6.413 1.00 0.00 H new ATOM 0 HA LYS A 24 -10.883 9.979 4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -11.763 8.972 7.053 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -11.851 10.717 6.922 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -12.998 10.352 4.632 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.125 8.660 5.069 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -14.633 9.080 6.833 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -14.098 10.735 7.040 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.224 11.443 4.996 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -15.556 9.785 4.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.493 10.827 5.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -16.961 9.548 6.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -16.639 11.154 6.941 1.00 0.00 H new ATOM 368 N VAL A 25 -9.868 12.106 5.349 1.00 0.00 N ATOM 369 CA VAL A 25 -9.020 13.258 5.605 1.00 0.00 C ATOM 370 C VAL A 25 -9.892 14.444 6.022 1.00 0.00 C ATOM 371 O VAL A 25 -10.923 14.709 5.406 1.00 0.00 O ATOM 372 CB VAL A 25 -8.156 13.554 4.377 1.00 0.00 C ATOM 373 CG1 VAL A 25 -7.125 14.643 4.683 1.00 0.00 C ATOM 374 CG2 VAL A 25 -7.476 12.283 3.866 1.00 0.00 C ATOM 0 H VAL A 25 -10.696 12.302 4.786 1.00 0.00 H new ATOM 0 HA VAL A 25 -8.334 13.053 6.427 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.810 13.924 3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.524 14.835 3.794 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.639 15.558 4.978 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.477 14.313 5.495 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.868 12.521 2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -6.840 11.871 4.649 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.234 11.550 3.591 1.00 0.00 H new ATOM 384 N GLN A 26 -9.446 15.126 7.067 1.00 0.00 N ATOM 385 CA GLN A 26 -10.172 16.278 7.574 1.00 0.00 C ATOM 386 C GLN A 26 -9.412 17.567 7.257 1.00 0.00 C ATOM 387 O GLN A 26 -8.899 18.228 8.158 1.00 0.00 O ATOM 388 CB GLN A 26 -10.426 16.147 9.077 1.00 0.00 C ATOM 389 CG GLN A 26 -11.913 15.928 9.365 1.00 0.00 C ATOM 390 CD GLN A 26 -12.332 16.637 10.654 1.00 0.00 C ATOM 391 OE1 GLN A 26 -11.555 16.812 11.578 1.00 0.00 O ATOM 392 NE2 GLN A 26 -13.602 17.033 10.665 1.00 0.00 N ATOM 0 H GLN A 26 -8.591 14.903 7.576 1.00 0.00 H new ATOM 0 HA GLN A 26 -11.141 16.320 7.077 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.848 15.313 9.476 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.082 17.046 9.587 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.507 16.301 8.531 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.117 14.861 9.450 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -14.199 16.855 9.857 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.979 17.515 11.481 1.00 0.00 H new ATOM 401 N LYS A 27 -9.364 17.887 5.972 1.00 0.00 N ATOM 402 CA LYS A 27 -8.675 19.085 5.524 1.00 0.00 C ATOM 403 C LYS A 27 -9.249 20.301 6.254 1.00 0.00 C ATOM 404 O LYS A 27 -8.653 20.792 7.212 1.00 0.00 O ATOM 405 CB LYS A 27 -8.734 19.199 3.999 1.00 0.00 C ATOM 406 CG LYS A 27 -7.348 19.483 3.416 1.00 0.00 C ATOM 407 CD LYS A 27 -6.645 18.184 3.017 1.00 0.00 C ATOM 408 CE LYS A 27 -6.364 18.153 1.514 1.00 0.00 C ATOM 409 NZ LYS A 27 -6.643 16.808 0.962 1.00 0.00 N ATOM 0 H LYS A 27 -9.791 17.337 5.227 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.616 19.032 5.776 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.128 18.274 3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.421 19.996 3.717 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.442 20.132 2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.744 20.018 4.149 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.709 18.089 3.568 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -7.265 17.331 3.292 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.981 18.896 1.007 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.324 18.421 1.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.749 16.291 0.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.257 16.284 1.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.119 16.902 0.042 1.00 0.00 H new ATOM 423 N GLY A 28 -10.398 20.752 5.774 1.00 0.00 N ATOM 424 CA GLY A 28 -11.059 21.901 6.370 1.00 0.00 C ATOM 425 C GLY A 28 -10.351 23.201 5.984 1.00 0.00 C ATOM 426 O GLY A 28 -10.014 24.008 6.849 1.00 0.00 O ATOM 0 H GLY A 28 -10.889 20.343 4.979 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.098 21.938 6.043 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.070 21.797 7.455 1.00 0.00 H new ATOM 430 N SER A 29 -10.146 23.363 4.686 1.00 0.00 N ATOM 431 CA SER A 29 -9.484 24.552 4.175 1.00 0.00 C ATOM 432 C SER A 29 -8.015 24.557 4.604 1.00 0.00 C ATOM 433 O SER A 29 -7.522 25.553 5.132 1.00 0.00 O ATOM 434 CB SER A 29 -10.183 25.823 4.661 1.00 0.00 C ATOM 435 OG SER A 29 -11.012 26.395 3.652 1.00 0.00 O ATOM 0 H SER A 29 -10.426 22.691 3.972 1.00 0.00 H new ATOM 0 HA SER A 29 -9.539 24.533 3.087 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.787 25.592 5.538 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.435 26.552 4.972 1.00 0.00 H new ATOM 0 HG SER A 29 -11.442 27.203 4.001 1.00 0.00 H new ATOM 441 N GLU A 30 -7.356 23.434 4.360 1.00 0.00 N ATOM 442 CA GLU A 30 -5.954 23.297 4.714 1.00 0.00 C ATOM 443 C GLU A 30 -5.238 22.393 3.707 1.00 0.00 C ATOM 444 O GLU A 30 -5.881 21.649 2.969 1.00 0.00 O ATOM 445 CB GLU A 30 -5.798 22.761 6.139 1.00 0.00 C ATOM 446 CG GLU A 30 -5.738 23.907 7.151 1.00 0.00 C ATOM 447 CD GLU A 30 -4.314 24.451 7.281 1.00 0.00 C ATOM 448 OE1 GLU A 30 -3.488 23.738 7.890 1.00 0.00 O ATOM 449 OE2 GLU A 30 -4.085 25.567 6.768 1.00 0.00 O ATOM 0 H GLU A 30 -7.767 22.610 3.921 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.493 24.284 4.679 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.634 22.103 6.378 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.890 22.161 6.209 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.410 24.707 6.840 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.087 23.557 8.122 1.00 0.00 H new ATOM 456 N PRO A 31 -3.882 22.491 3.710 1.00 0.00 N ATOM 457 CA PRO A 31 -3.072 21.692 2.807 1.00 0.00 C ATOM 458 C PRO A 31 -3.002 20.237 3.274 1.00 0.00 C ATOM 459 O PRO A 31 -3.508 19.900 4.344 1.00 0.00 O ATOM 460 CB PRO A 31 -1.714 22.375 2.787 1.00 0.00 C ATOM 461 CG PRO A 31 -1.671 23.252 4.028 1.00 0.00 C ATOM 462 CD PRO A 31 -3.086 23.362 4.571 1.00 0.00 C ATOM 0 HA PRO A 31 -3.491 21.639 1.802 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -0.908 21.642 2.799 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.590 22.971 1.883 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -1.007 22.821 4.777 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.278 24.239 3.784 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -3.137 23.043 5.612 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -3.445 24.390 4.535 1.00 0.00 H new ATOM 470 N LEU A 32 -2.372 19.413 2.450 1.00 0.00 N ATOM 471 CA LEU A 32 -2.230 18.002 2.765 1.00 0.00 C ATOM 472 C LEU A 32 -0.812 17.738 3.277 1.00 0.00 C ATOM 473 O LEU A 32 -0.628 17.053 4.281 1.00 0.00 O ATOM 474 CB LEU A 32 -2.619 17.142 1.562 1.00 0.00 C ATOM 475 CG LEU A 32 -2.998 15.692 1.868 1.00 0.00 C ATOM 476 CD1 LEU A 32 -4.083 15.625 2.945 1.00 0.00 C ATOM 477 CD2 LEU A 32 -3.409 14.951 0.594 1.00 0.00 C ATOM 0 H LEU A 32 -1.954 19.696 1.564 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.916 17.720 3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.460 17.618 1.057 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.786 17.138 0.859 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.118 15.186 2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.334 14.583 3.144 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.717 16.091 3.860 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.972 16.153 2.599 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.673 13.923 0.840 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.268 15.449 0.145 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.579 14.953 -0.112 1.00 0.00 H new ATOM 489 N GLY A 33 0.154 18.297 2.562 1.00 0.00 N ATOM 490 CA GLY A 33 1.549 18.130 2.931 1.00 0.00 C ATOM 491 C GLY A 33 1.997 16.680 2.742 1.00 0.00 C ATOM 492 O GLY A 33 2.328 15.997 3.711 1.00 0.00 O ATOM 0 H GLY A 33 -0.002 18.866 1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.171 18.788 2.324 1.00 0.00 H new ATOM 0 HA3 GLY A 33 1.692 18.426 3.970 1.00 0.00 H new ATOM 496 N ILE A 34 1.994 16.251 1.488 1.00 0.00 N ATOM 497 CA ILE A 34 2.396 14.894 1.160 1.00 0.00 C ATOM 498 C ILE A 34 3.147 14.897 -0.173 1.00 0.00 C ATOM 499 O ILE A 34 2.952 15.790 -0.997 1.00 0.00 O ATOM 500 CB ILE A 34 1.187 13.957 1.183 1.00 0.00 C ATOM 501 CG1 ILE A 34 0.085 14.461 0.249 1.00 0.00 C ATOM 502 CG2 ILE A 34 0.679 13.752 2.612 1.00 0.00 C ATOM 503 CD1 ILE A 34 -0.406 13.343 -0.673 1.00 0.00 C ATOM 0 H ILE A 34 1.719 16.820 0.687 1.00 0.00 H new ATOM 0 HA ILE A 34 3.084 14.508 1.912 1.00 0.00 H new ATOM 0 HB ILE A 34 1.503 12.982 0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -0.749 14.844 0.838 1.00 0.00 H new ATOM 0 HG13 ILE A 34 0.461 15.291 -0.349 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.181 13.082 2.600 1.00 0.00 H new ATOM 0 HG22 ILE A 34 1.471 13.315 3.221 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.384 14.713 3.035 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.189 13.728 -1.326 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.425 12.979 -1.277 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -0.804 12.525 -0.073 1.00 0.00 H new ATOM 515 N SER A 35 3.988 13.889 -0.345 1.00 0.00 N ATOM 516 CA SER A 35 4.769 13.764 -1.564 1.00 0.00 C ATOM 517 C SER A 35 4.339 12.514 -2.335 1.00 0.00 C ATOM 518 O SER A 35 3.975 11.504 -1.734 1.00 0.00 O ATOM 519 CB SER A 35 6.266 13.709 -1.256 1.00 0.00 C ATOM 520 OG SER A 35 7.053 14.185 -2.345 1.00 0.00 O ATOM 0 H SER A 35 4.146 13.150 0.340 1.00 0.00 H new ATOM 0 HA SER A 35 4.585 14.644 -2.180 1.00 0.00 H new ATOM 0 HB2 SER A 35 6.476 14.306 -0.369 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.551 12.683 -1.024 1.00 0.00 H new ATOM 0 HG SER A 35 7.764 13.540 -2.541 1.00 0.00 H new ATOM 526 N ILE A 36 4.395 12.623 -3.654 1.00 0.00 N ATOM 527 CA ILE A 36 4.016 11.514 -4.513 1.00 0.00 C ATOM 528 C ILE A 36 5.010 11.410 -5.672 1.00 0.00 C ATOM 529 O ILE A 36 5.626 12.402 -6.057 1.00 0.00 O ATOM 530 CB ILE A 36 2.561 11.658 -4.963 1.00 0.00 C ATOM 531 CG1 ILE A 36 2.382 12.887 -5.856 1.00 0.00 C ATOM 532 CG2 ILE A 36 1.615 11.680 -3.760 1.00 0.00 C ATOM 533 CD1 ILE A 36 2.521 12.516 -7.334 1.00 0.00 C ATOM 0 H ILE A 36 4.697 13.462 -4.149 1.00 0.00 H new ATOM 0 HA ILE A 36 4.065 10.573 -3.964 1.00 0.00 H new ATOM 0 HB ILE A 36 2.300 10.785 -5.562 1.00 0.00 H new ATOM 0 HG12 ILE A 36 1.402 13.330 -5.679 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.124 13.641 -5.595 1.00 0.00 H new ATOM 0 HG21 ILE A 36 0.587 11.783 -4.107 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.717 10.751 -3.200 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.866 12.522 -3.115 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.389 13.408 -7.947 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.511 12.096 -7.512 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.762 11.780 -7.597 1.00 0.00 H new ATOM 545 N VAL A 37 5.135 10.199 -6.195 1.00 0.00 N ATOM 546 CA VAL A 37 6.044 9.952 -7.301 1.00 0.00 C ATOM 547 C VAL A 37 5.395 8.970 -8.279 1.00 0.00 C ATOM 548 O VAL A 37 4.611 8.113 -7.875 1.00 0.00 O ATOM 549 CB VAL A 37 7.393 9.463 -6.772 1.00 0.00 C ATOM 550 CG1 VAL A 37 7.860 10.316 -5.590 1.00 0.00 C ATOM 551 CG2 VAL A 37 7.328 7.983 -6.388 1.00 0.00 C ATOM 0 H VAL A 37 4.622 9.378 -5.873 1.00 0.00 H new ATOM 0 HA VAL A 37 6.240 10.875 -7.847 1.00 0.00 H new ATOM 0 HB VAL A 37 8.125 9.569 -7.572 1.00 0.00 H new ATOM 0 HG11 VAL A 37 8.821 9.947 -5.233 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.965 11.353 -5.909 1.00 0.00 H new ATOM 0 HG13 VAL A 37 7.127 10.256 -4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.300 7.661 -6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.576 7.841 -5.612 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.061 7.391 -7.264 1.00 0.00 H new ATOM 561 N SER A 38 5.745 9.129 -9.547 1.00 0.00 N ATOM 562 CA SER A 38 5.206 8.268 -10.586 1.00 0.00 C ATOM 563 C SER A 38 6.221 7.181 -10.944 1.00 0.00 C ATOM 564 O SER A 38 7.428 7.415 -10.899 1.00 0.00 O ATOM 565 CB SER A 38 4.831 9.075 -11.831 1.00 0.00 C ATOM 566 OG SER A 38 4.306 8.247 -12.865 1.00 0.00 O ATOM 0 H SER A 38 6.395 9.841 -9.878 1.00 0.00 H new ATOM 0 HA SER A 38 4.300 7.798 -10.204 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.094 9.833 -11.564 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.711 9.602 -12.200 1.00 0.00 H new ATOM 0 HG SER A 38 4.077 8.799 -13.642 1.00 0.00 H new ATOM 572 N GLY A 39 5.696 6.015 -11.291 1.00 0.00 N ATOM 573 CA GLY A 39 6.541 4.892 -11.656 1.00 0.00 C ATOM 574 C GLY A 39 6.419 4.576 -13.148 1.00 0.00 C ATOM 575 O GLY A 39 5.850 3.552 -13.525 1.00 0.00 O ATOM 0 H GLY A 39 4.695 5.824 -11.327 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.579 5.119 -11.412 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.261 4.016 -11.071 1.00 0.00 H new ATOM 623 N GLY A 43 1.349 3.900 -11.583 1.00 0.00 N ATOM 624 CA GLY A 43 0.539 4.373 -10.473 1.00 0.00 C ATOM 625 C GLY A 43 1.237 5.516 -9.733 1.00 0.00 C ATOM 626 O GLY A 43 2.140 6.151 -10.275 1.00 0.00 O ATOM 0 HA2 GLY A 43 -0.429 4.712 -10.843 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.347 3.552 -9.783 1.00 0.00 H new ATOM 630 N ILE A 44 0.791 5.743 -8.506 1.00 0.00 N ATOM 631 CA ILE A 44 1.361 6.798 -7.686 1.00 0.00 C ATOM 632 C ILE A 44 1.739 6.227 -6.318 1.00 0.00 C ATOM 633 O ILE A 44 0.970 5.475 -5.721 1.00 0.00 O ATOM 634 CB ILE A 44 0.409 7.993 -7.612 1.00 0.00 C ATOM 635 CG1 ILE A 44 0.117 8.549 -9.008 1.00 0.00 C ATOM 636 CG2 ILE A 44 0.951 9.069 -6.669 1.00 0.00 C ATOM 637 CD1 ILE A 44 1.323 9.313 -9.557 1.00 0.00 C ATOM 0 H ILE A 44 0.041 5.214 -8.060 1.00 0.00 H new ATOM 0 HA ILE A 44 2.277 7.178 -8.137 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.539 7.649 -7.197 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.138 7.732 -9.683 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.749 9.210 -8.966 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.255 9.907 -6.635 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.066 8.652 -5.669 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.919 9.416 -7.031 1.00 0.00 H new ATOM 0 HD11 ILE A 44 1.089 9.697 -10.550 1.00 0.00 H new ATOM 0 HD12 ILE A 44 1.560 10.144 -8.893 1.00 0.00 H new ATOM 0 HD13 ILE A 44 2.180 8.643 -9.620 1.00 0.00 H new ATOM 649 N TYR A 45 2.924 6.606 -5.861 1.00 0.00 N ATOM 650 CA TYR A 45 3.413 6.141 -4.574 1.00 0.00 C ATOM 651 C TYR A 45 3.845 7.316 -3.694 1.00 0.00 C ATOM 652 O TYR A 45 4.555 8.210 -4.152 1.00 0.00 O ATOM 653 CB TYR A 45 4.633 5.270 -4.876 1.00 0.00 C ATOM 654 CG TYR A 45 4.383 4.194 -5.935 1.00 0.00 C ATOM 655 CD1 TYR A 45 4.381 4.530 -7.273 1.00 0.00 C ATOM 656 CD2 TYR A 45 4.161 2.887 -5.551 1.00 0.00 C ATOM 657 CE1 TYR A 45 4.145 3.518 -8.269 1.00 0.00 C ATOM 658 CE2 TYR A 45 3.925 1.875 -6.547 1.00 0.00 C ATOM 659 CZ TYR A 45 3.929 2.240 -7.857 1.00 0.00 C ATOM 660 OH TYR A 45 3.707 1.283 -8.798 1.00 0.00 O ATOM 0 H TYR A 45 3.559 7.230 -6.359 1.00 0.00 H new ATOM 0 HA TYR A 45 2.633 5.597 -4.041 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.450 5.910 -5.209 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.960 4.789 -3.954 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.557 5.552 -7.573 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.164 2.624 -4.504 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.140 3.768 -9.320 1.00 0.00 H new ATOM 0 HE2 TYR A 45 3.749 0.849 -6.260 1.00 0.00 H new ATOM 0 HH TYR A 45 3.570 0.418 -8.359 1.00 0.00 H new ATOM 670 N VAL A 46 3.398 7.276 -2.447 1.00 0.00 N ATOM 671 CA VAL A 46 3.729 8.327 -1.500 1.00 0.00 C ATOM 672 C VAL A 46 5.247 8.384 -1.319 1.00 0.00 C ATOM 673 O VAL A 46 5.884 7.364 -1.061 1.00 0.00 O ATOM 674 CB VAL A 46 2.979 8.102 -0.186 1.00 0.00 C ATOM 675 CG1 VAL A 46 3.408 9.121 0.872 1.00 0.00 C ATOM 676 CG2 VAL A 46 1.465 8.144 -0.405 1.00 0.00 C ATOM 0 H VAL A 46 2.810 6.532 -2.071 1.00 0.00 H new ATOM 0 HA VAL A 46 3.410 9.298 -1.879 1.00 0.00 H new ATOM 0 HB VAL A 46 3.237 7.109 0.181 1.00 0.00 H new ATOM 0 HG11 VAL A 46 2.860 8.939 1.796 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.477 9.023 1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.193 10.128 0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.955 7.981 0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.182 9.117 -0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.177 7.363 -1.109 1.00 0.00 H new ATOM 686 N SER A 47 5.784 9.587 -1.461 1.00 0.00 N ATOM 687 CA SER A 47 7.215 9.791 -1.317 1.00 0.00 C ATOM 688 C SER A 47 7.521 10.406 0.050 1.00 0.00 C ATOM 689 O SER A 47 8.678 10.465 0.464 1.00 0.00 O ATOM 690 CB SER A 47 7.760 10.682 -2.434 1.00 0.00 C ATOM 691 OG SER A 47 8.784 11.557 -1.968 1.00 0.00 O ATOM 0 H SER A 47 5.253 10.431 -1.675 1.00 0.00 H new ATOM 0 HA SER A 47 7.707 8.821 -1.390 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.154 10.058 -3.236 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.946 11.270 -2.858 1.00 0.00 H new ATOM 0 HG SER A 47 9.234 11.152 -1.197 1.00 0.00 H new ATOM 697 N LYS A 48 6.463 10.848 0.714 1.00 0.00 N ATOM 698 CA LYS A 48 6.604 11.457 2.026 1.00 0.00 C ATOM 699 C LYS A 48 5.237 11.951 2.504 1.00 0.00 C ATOM 700 O LYS A 48 4.259 11.901 1.758 1.00 0.00 O ATOM 701 CB LYS A 48 7.676 12.548 1.999 1.00 0.00 C ATOM 702 CG LYS A 48 8.693 12.346 3.124 1.00 0.00 C ATOM 703 CD LYS A 48 8.966 13.660 3.858 1.00 0.00 C ATOM 704 CE LYS A 48 10.466 13.860 4.084 1.00 0.00 C ATOM 705 NZ LYS A 48 10.752 14.055 5.523 1.00 0.00 N ATOM 0 H LYS A 48 5.505 10.797 0.368 1.00 0.00 H new ATOM 0 HA LYS A 48 6.950 10.721 2.752 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.187 12.537 1.036 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.207 13.527 2.100 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.319 11.603 3.828 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.623 11.955 2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 48 8.567 14.493 3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.447 13.660 4.816 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.014 12.994 3.712 1.00 0.00 H new ATOM 0 HE3 LYS A 48 10.813 14.724 3.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.774 14.189 5.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 10.244 14.895 5.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.439 13.218 6.056 1.00 0.00 H new ATOM 719 N VAL A 49 5.211 12.417 3.744 1.00 0.00 N ATOM 720 CA VAL A 49 3.980 12.919 4.330 1.00 0.00 C ATOM 721 C VAL A 49 4.319 13.900 5.454 1.00 0.00 C ATOM 722 O VAL A 49 4.651 13.488 6.564 1.00 0.00 O ATOM 723 CB VAL A 49 3.109 11.752 4.798 1.00 0.00 C ATOM 724 CG1 VAL A 49 3.913 10.780 5.664 1.00 0.00 C ATOM 725 CG2 VAL A 49 1.871 12.256 5.543 1.00 0.00 C ATOM 0 H VAL A 49 6.023 12.457 4.359 1.00 0.00 H new ATOM 0 HA VAL A 49 3.398 13.464 3.587 1.00 0.00 H new ATOM 0 HB VAL A 49 2.771 11.211 3.914 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.270 9.960 5.983 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.748 10.383 5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 49 4.295 11.304 6.540 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.269 11.406 5.865 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.181 12.832 6.415 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.280 12.889 4.881 1.00 0.00 H new ATOM 735 N THR A 50 4.223 15.181 5.127 1.00 0.00 N ATOM 736 CA THR A 50 4.515 16.224 6.095 1.00 0.00 C ATOM 737 C THR A 50 3.920 15.868 7.459 1.00 0.00 C ATOM 738 O THR A 50 2.898 15.187 7.535 1.00 0.00 O ATOM 739 CB THR A 50 3.996 17.549 5.533 1.00 0.00 C ATOM 740 OG1 THR A 50 4.849 17.812 4.422 1.00 0.00 O ATOM 741 CG2 THR A 50 4.246 18.725 6.480 1.00 0.00 C ATOM 0 H THR A 50 3.947 15.520 4.205 1.00 0.00 H new ATOM 0 HA THR A 50 5.588 16.322 6.259 1.00 0.00 H new ATOM 0 HB THR A 50 2.928 17.465 5.333 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.582 18.654 3.997 1.00 0.00 H new ATOM 0 HG21 THR A 50 3.859 19.641 6.033 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.741 18.542 7.428 1.00 0.00 H new ATOM 0 HG23 THR A 50 5.317 18.831 6.654 1.00 0.00 H new ATOM 749 N VAL A 51 4.583 16.345 8.501 1.00 0.00 N ATOM 750 CA VAL A 51 4.133 16.086 9.858 1.00 0.00 C ATOM 751 C VAL A 51 3.346 17.295 10.369 1.00 0.00 C ATOM 752 O VAL A 51 3.739 18.437 10.140 1.00 0.00 O ATOM 753 CB VAL A 51 5.326 15.730 10.747 1.00 0.00 C ATOM 754 CG1 VAL A 51 6.077 16.988 11.187 1.00 0.00 C ATOM 755 CG2 VAL A 51 4.882 14.905 11.957 1.00 0.00 C ATOM 0 H VAL A 51 5.429 16.910 8.433 1.00 0.00 H new ATOM 0 HA VAL A 51 3.462 15.228 9.880 1.00 0.00 H new ATOM 0 HB VAL A 51 6.011 15.120 10.159 1.00 0.00 H new ATOM 0 HG11 VAL A 51 6.920 16.706 11.818 1.00 0.00 H new ATOM 0 HG12 VAL A 51 6.443 17.519 10.308 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.404 17.636 11.749 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.749 14.666 12.572 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.167 15.479 12.546 1.00 0.00 H new ATOM 0 HG23 VAL A 51 4.413 13.982 11.616 1.00 0.00 H new ATOM 765 N GLY A 52 2.250 17.001 11.053 1.00 0.00 N ATOM 766 CA GLY A 52 1.405 18.049 11.599 1.00 0.00 C ATOM 767 C GLY A 52 0.361 18.500 10.575 1.00 0.00 C ATOM 768 O GLY A 52 -0.658 19.085 10.939 1.00 0.00 O ATOM 0 H GLY A 52 1.928 16.052 11.241 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.906 17.687 12.498 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.019 18.899 11.896 1.00 0.00 H new ATOM 772 N SER A 53 0.651 18.211 9.315 1.00 0.00 N ATOM 773 CA SER A 53 -0.250 18.580 8.236 1.00 0.00 C ATOM 774 C SER A 53 -1.441 17.619 8.198 1.00 0.00 C ATOM 775 O SER A 53 -1.393 16.542 8.789 1.00 0.00 O ATOM 776 CB SER A 53 0.475 18.581 6.889 1.00 0.00 C ATOM 777 OG SER A 53 0.318 19.818 6.200 1.00 0.00 O ATOM 0 H SER A 53 1.497 17.726 9.017 1.00 0.00 H new ATOM 0 HA SER A 53 -0.612 19.591 8.423 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.536 18.386 7.048 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.091 17.770 6.270 1.00 0.00 H new ATOM 0 HG SER A 53 0.921 19.841 5.428 1.00 0.00 H new ATOM 783 N ILE A 54 -2.481 18.045 7.495 1.00 0.00 N ATOM 784 CA ILE A 54 -3.681 17.236 7.372 1.00 0.00 C ATOM 785 C ILE A 54 -3.287 15.768 7.194 1.00 0.00 C ATOM 786 O ILE A 54 -3.684 14.915 7.986 1.00 0.00 O ATOM 787 CB ILE A 54 -4.576 17.772 6.252 1.00 0.00 C ATOM 788 CG1 ILE A 54 -5.040 19.198 6.556 1.00 0.00 C ATOM 789 CG2 ILE A 54 -5.752 16.829 5.991 1.00 0.00 C ATOM 790 CD1 ILE A 54 -6.001 19.219 7.747 1.00 0.00 C ATOM 0 H ILE A 54 -2.517 18.939 7.005 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.276 17.298 8.283 1.00 0.00 H new ATOM 0 HB ILE A 54 -3.988 17.814 5.335 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.176 19.828 6.770 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -5.532 19.619 5.679 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.372 17.233 5.191 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.375 15.849 5.698 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -6.348 16.731 6.898 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.316 20.244 7.942 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.875 18.608 7.520 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.498 18.820 8.628 1.00 0.00 H new ATOM 802 N ALA A 55 -2.510 15.520 6.150 1.00 0.00 N ATOM 803 CA ALA A 55 -2.057 14.170 5.859 1.00 0.00 C ATOM 804 C ALA A 55 -1.733 13.451 7.170 1.00 0.00 C ATOM 805 O ALA A 55 -2.428 12.513 7.556 1.00 0.00 O ATOM 806 CB ALA A 55 -0.855 14.228 4.913 1.00 0.00 C ATOM 0 H ALA A 55 -2.183 16.230 5.495 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.840 13.602 5.357 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -0.515 13.216 4.694 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -1.145 14.721 3.985 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.048 14.788 5.385 1.00 0.00 H new ATOM 812 N HIS A 56 -0.676 13.919 7.819 1.00 0.00 N ATOM 813 CA HIS A 56 -0.251 13.332 9.078 1.00 0.00 C ATOM 814 C HIS A 56 -1.479 12.970 9.915 1.00 0.00 C ATOM 815 O HIS A 56 -1.600 11.842 10.390 1.00 0.00 O ATOM 816 CB HIS A 56 0.714 14.265 9.814 1.00 0.00 C ATOM 817 CG HIS A 56 1.635 13.558 10.778 1.00 0.00 C ATOM 818 ND1 HIS A 56 1.480 13.628 12.152 1.00 0.00 N ATOM 819 CD2 HIS A 56 2.722 12.765 10.554 1.00 0.00 C ATOM 820 CE1 HIS A 56 2.437 12.908 12.718 1.00 0.00 C ATOM 821 NE2 HIS A 56 3.206 12.374 11.727 1.00 0.00 N ATOM 0 H HIS A 56 -0.102 14.698 7.496 1.00 0.00 H new ATOM 0 HA HIS A 56 0.300 12.411 8.887 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.315 14.802 9.080 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.137 15.011 10.360 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.121 12.500 9.586 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.583 12.768 13.779 1.00 0.00 H new ATOM 0 HE2 HIS A 56 4.019 11.773 11.864 1.00 0.00 H new ATOM 829 N GLN A 57 -2.360 13.948 10.071 1.00 0.00 N ATOM 830 CA GLN A 57 -3.574 13.746 10.843 1.00 0.00 C ATOM 831 C GLN A 57 -4.365 12.560 10.288 1.00 0.00 C ATOM 832 O GLN A 57 -4.834 11.712 11.046 1.00 0.00 O ATOM 833 CB GLN A 57 -4.429 15.015 10.861 1.00 0.00 C ATOM 834 CG GLN A 57 -3.566 16.254 11.106 1.00 0.00 C ATOM 835 CD GLN A 57 -4.407 17.406 11.661 1.00 0.00 C ATOM 836 OE1 GLN A 57 -5.616 17.317 11.797 1.00 0.00 O ATOM 837 NE2 GLN A 57 -3.701 18.490 11.972 1.00 0.00 N ATOM 0 H GLN A 57 -2.257 14.883 9.676 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.294 13.521 11.872 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.956 15.116 9.912 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.187 14.936 11.640 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -2.766 16.012 11.806 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -3.091 16.561 10.174 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -2.691 18.498 11.833 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -4.170 19.313 12.349 1.00 0.00 H new ATOM 846 N ALA A 58 -4.488 12.537 8.969 1.00 0.00 N ATOM 847 CA ALA A 58 -5.214 11.469 8.303 1.00 0.00 C ATOM 848 C ALA A 58 -4.547 10.129 8.622 1.00 0.00 C ATOM 849 O ALA A 58 -5.223 9.109 8.745 1.00 0.00 O ATOM 850 CB ALA A 58 -5.270 11.748 6.800 1.00 0.00 C ATOM 0 H ALA A 58 -4.097 13.241 8.343 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.241 11.421 8.664 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -5.815 10.946 6.301 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -5.778 12.696 6.625 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.257 11.801 6.402 1.00 0.00 H new ATOM 856 N GLY A 59 -3.229 10.176 8.747 1.00 0.00 N ATOM 857 CA GLY A 59 -2.463 8.979 9.050 1.00 0.00 C ATOM 858 C GLY A 59 -1.847 8.386 7.780 1.00 0.00 C ATOM 859 O GLY A 59 -1.874 7.173 7.581 1.00 0.00 O ATOM 0 H GLY A 59 -2.672 11.024 8.644 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.674 9.218 9.763 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -3.109 8.240 9.525 1.00 0.00 H new ATOM 863 N LEU A 60 -1.307 9.270 6.954 1.00 0.00 N ATOM 864 CA LEU A 60 -0.686 8.850 5.710 1.00 0.00 C ATOM 865 C LEU A 60 0.774 8.477 5.974 1.00 0.00 C ATOM 866 O LEU A 60 1.403 9.020 6.881 1.00 0.00 O ATOM 867 CB LEU A 60 -0.861 9.924 4.634 1.00 0.00 C ATOM 868 CG LEU A 60 -2.230 9.974 3.953 1.00 0.00 C ATOM 869 CD1 LEU A 60 -2.299 11.123 2.945 1.00 0.00 C ATOM 870 CD2 LEU A 60 -2.572 8.628 3.311 1.00 0.00 C ATOM 0 H LEU A 60 -1.287 10.276 7.122 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.178 7.959 5.321 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.666 10.897 5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.101 9.770 3.868 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.984 10.168 4.716 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.282 11.136 2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.130 12.069 3.459 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.534 10.984 2.181 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.550 8.691 2.834 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.819 8.380 2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.591 7.854 4.078 1.00 0.00 H new ATOM 882 N GLU A 61 1.270 7.552 5.166 1.00 0.00 N ATOM 883 CA GLU A 61 2.645 7.099 5.301 1.00 0.00 C ATOM 884 C GLU A 61 3.230 6.762 3.928 1.00 0.00 C ATOM 885 O GLU A 61 2.496 6.650 2.947 1.00 0.00 O ATOM 886 CB GLU A 61 2.736 5.900 6.246 1.00 0.00 C ATOM 887 CG GLU A 61 2.045 4.674 5.645 1.00 0.00 C ATOM 888 CD GLU A 61 0.917 4.181 6.553 1.00 0.00 C ATOM 889 OE1 GLU A 61 -0.204 4.715 6.407 1.00 0.00 O ATOM 890 OE2 GLU A 61 1.201 3.281 7.373 1.00 0.00 O ATOM 0 H GLU A 61 0.745 7.103 4.415 1.00 0.00 H new ATOM 0 HA GLU A 61 3.233 7.907 5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 61 3.782 5.670 6.447 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.275 6.150 7.202 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.643 4.923 4.663 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.774 3.877 5.498 1.00 0.00 H new ATOM 897 N TYR A 62 4.545 6.609 3.902 1.00 0.00 N ATOM 898 CA TYR A 62 5.237 6.287 2.666 1.00 0.00 C ATOM 899 C TYR A 62 5.080 4.804 2.320 1.00 0.00 C ATOM 900 O TYR A 62 4.870 3.976 3.205 1.00 0.00 O ATOM 901 CB TYR A 62 6.716 6.585 2.920 1.00 0.00 C ATOM 902 CG TYR A 62 7.606 6.417 1.687 1.00 0.00 C ATOM 903 CD1 TYR A 62 7.866 5.156 1.190 1.00 0.00 C ATOM 904 CD2 TYR A 62 8.148 7.527 1.071 1.00 0.00 C ATOM 905 CE1 TYR A 62 8.703 4.999 0.029 1.00 0.00 C ATOM 906 CE2 TYR A 62 8.986 7.370 -0.090 1.00 0.00 C ATOM 907 CZ TYR A 62 9.222 6.113 -0.554 1.00 0.00 C ATOM 908 OH TYR A 62 10.012 5.964 -1.650 1.00 0.00 O ATOM 0 H TYR A 62 5.150 6.702 4.718 1.00 0.00 H new ATOM 0 HA TYR A 62 4.830 6.866 1.837 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.812 7.606 3.288 1.00 0.00 H new ATOM 0 HB3 TYR A 62 7.078 5.926 3.709 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.442 4.287 1.672 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.944 8.514 1.460 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.914 4.018 -0.370 1.00 0.00 H new ATOM 0 HE2 TYR A 62 9.417 8.230 -0.581 1.00 0.00 H new ATOM 0 HH TYR A 62 10.310 6.844 -1.960 1.00 0.00 H new ATOM 918 N GLY A 63 5.189 4.515 1.032 1.00 0.00 N ATOM 919 CA GLY A 63 5.062 3.148 0.558 1.00 0.00 C ATOM 920 C GLY A 63 3.601 2.806 0.256 1.00 0.00 C ATOM 921 O GLY A 63 3.321 1.877 -0.501 1.00 0.00 O ATOM 0 H GLY A 63 5.364 5.205 0.301 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.664 3.013 -0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.452 2.461 1.309 1.00 0.00 H new ATOM 925 N ASP A 64 2.709 3.574 0.864 1.00 0.00 N ATOM 926 CA ASP A 64 1.284 3.364 0.670 1.00 0.00 C ATOM 927 C ASP A 64 0.895 3.812 -0.740 1.00 0.00 C ATOM 928 O ASP A 64 0.687 4.999 -0.983 1.00 0.00 O ATOM 929 CB ASP A 64 0.466 4.183 1.669 1.00 0.00 C ATOM 930 CG ASP A 64 -0.140 3.380 2.822 1.00 0.00 C ATOM 931 OD1 ASP A 64 0.594 3.165 3.811 1.00 0.00 O ATOM 932 OD2 ASP A 64 -1.323 2.998 2.688 1.00 0.00 O ATOM 0 H ASP A 64 2.945 4.343 1.491 1.00 0.00 H new ATOM 0 HA ASP A 64 1.076 2.304 0.817 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.104 4.963 2.085 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -0.340 4.683 1.132 1.00 0.00 H new ATOM 937 N GLN A 65 0.808 2.837 -1.633 1.00 0.00 N ATOM 938 CA GLN A 65 0.447 3.116 -3.013 1.00 0.00 C ATOM 939 C GLN A 65 -0.991 3.630 -3.092 1.00 0.00 C ATOM 940 O GLN A 65 -1.923 2.948 -2.667 1.00 0.00 O ATOM 941 CB GLN A 65 0.635 1.876 -3.890 1.00 0.00 C ATOM 942 CG GLN A 65 0.615 2.247 -5.375 1.00 0.00 C ATOM 943 CD GLN A 65 -0.323 1.325 -6.157 1.00 0.00 C ATOM 944 OE1 GLN A 65 -0.456 0.146 -5.873 1.00 0.00 O ATOM 945 NE2 GLN A 65 -0.963 1.927 -7.156 1.00 0.00 N ATOM 0 H GLN A 65 0.981 1.853 -1.428 1.00 0.00 H new ATOM 0 HA GLN A 65 1.111 3.893 -3.392 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.581 1.393 -3.645 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -0.155 1.155 -3.681 1.00 0.00 H new ATOM 0 HG2 GLN A 65 0.293 3.282 -5.491 1.00 0.00 H new ATOM 0 HG3 GLN A 65 1.623 2.179 -5.784 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.805 2.918 -7.339 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.612 1.398 -7.739 1.00 0.00 H new ATOM 954 N LEU A 66 -1.128 4.829 -3.638 1.00 0.00 N ATOM 955 CA LEU A 66 -2.438 5.443 -3.778 1.00 0.00 C ATOM 956 C LEU A 66 -3.149 4.845 -4.993 1.00 0.00 C ATOM 957 O LEU A 66 -2.591 4.809 -6.089 1.00 0.00 O ATOM 958 CB LEU A 66 -2.312 6.967 -3.827 1.00 0.00 C ATOM 959 CG LEU A 66 -1.400 7.600 -2.775 1.00 0.00 C ATOM 960 CD1 LEU A 66 -1.060 9.046 -3.141 1.00 0.00 C ATOM 961 CD2 LEU A 66 -2.016 7.492 -1.378 1.00 0.00 C ATOM 0 H LEU A 66 -0.353 5.392 -3.989 1.00 0.00 H new ATOM 0 HA LEU A 66 -3.057 5.225 -2.907 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -1.945 7.250 -4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.308 7.397 -3.722 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.463 7.044 -2.758 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.411 9.472 -2.376 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.549 9.067 -4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.978 9.631 -3.204 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.347 7.950 -0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -2.976 8.007 -1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.164 6.442 -1.126 1.00 0.00 H new ATOM 973 N LEU A 67 -4.372 4.390 -4.758 1.00 0.00 N ATOM 974 CA LEU A 67 -5.165 3.796 -5.820 1.00 0.00 C ATOM 975 C LEU A 67 -6.184 4.820 -6.324 1.00 0.00 C ATOM 976 O LEU A 67 -6.169 5.190 -7.497 1.00 0.00 O ATOM 977 CB LEU A 67 -5.795 2.483 -5.348 1.00 0.00 C ATOM 978 CG LEU A 67 -4.822 1.338 -5.060 1.00 0.00 C ATOM 979 CD1 LEU A 67 -5.558 0.122 -4.495 1.00 0.00 C ATOM 980 CD2 LEU A 67 -4.006 0.986 -6.306 1.00 0.00 C ATOM 0 H LEU A 67 -4.832 4.421 -3.848 1.00 0.00 H new ATOM 0 HA LEU A 67 -4.531 3.533 -6.667 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.368 2.683 -4.443 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.503 2.150 -6.106 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.118 1.671 -4.297 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.843 -0.677 -4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.057 0.398 -3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.299 -0.223 -5.217 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.322 0.169 -6.074 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.679 0.680 -7.107 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.435 1.858 -6.625 1.00 0.00 H new ATOM 992 N GLU A 68 -7.045 5.248 -5.413 1.00 0.00 N ATOM 993 CA GLU A 68 -8.069 6.222 -5.751 1.00 0.00 C ATOM 994 C GLU A 68 -8.105 7.339 -4.705 1.00 0.00 C ATOM 995 O GLU A 68 -7.887 7.091 -3.520 1.00 0.00 O ATOM 996 CB GLU A 68 -9.439 5.554 -5.886 1.00 0.00 C ATOM 997 CG GLU A 68 -9.535 4.760 -7.191 1.00 0.00 C ATOM 998 CD GLU A 68 -10.043 3.340 -6.933 1.00 0.00 C ATOM 999 OE1 GLU A 68 -11.005 3.216 -6.144 1.00 0.00 O ATOM 1000 OE2 GLU A 68 -9.459 2.411 -7.530 1.00 0.00 O ATOM 0 H GLU A 68 -7.055 4.938 -4.441 1.00 0.00 H new ATOM 0 HA GLU A 68 -7.819 6.662 -6.716 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -9.609 4.890 -5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.222 6.312 -5.859 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -10.206 5.270 -7.883 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -8.556 4.719 -7.669 1.00 0.00 H new ATOM 1007 N PHE A 69 -8.382 8.544 -5.181 1.00 0.00 N ATOM 1008 CA PHE A 69 -8.449 9.699 -4.302 1.00 0.00 C ATOM 1009 C PHE A 69 -9.843 10.329 -4.331 1.00 0.00 C ATOM 1010 O PHE A 69 -10.242 10.917 -5.335 1.00 0.00 O ATOM 1011 CB PHE A 69 -7.432 10.716 -4.822 1.00 0.00 C ATOM 1012 CG PHE A 69 -7.371 12.008 -4.005 1.00 0.00 C ATOM 1013 CD1 PHE A 69 -8.352 12.941 -4.134 1.00 0.00 C ATOM 1014 CD2 PHE A 69 -6.335 12.224 -3.151 1.00 0.00 C ATOM 1015 CE1 PHE A 69 -8.295 14.140 -3.375 1.00 0.00 C ATOM 1016 CE2 PHE A 69 -6.278 13.423 -2.392 1.00 0.00 C ATOM 1017 CZ PHE A 69 -7.260 14.356 -2.521 1.00 0.00 C ATOM 0 H PHE A 69 -8.563 8.746 -6.164 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.236 9.399 -3.276 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -6.444 10.256 -4.829 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.676 10.963 -5.855 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.174 12.770 -4.813 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -5.555 11.484 -3.050 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.075 14.881 -3.476 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.456 13.594 -1.713 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.217 15.268 -1.945 1.00 0.00 H new ATOM 1027 N ASN A 70 -10.546 10.184 -3.217 1.00 0.00 N ATOM 1028 CA ASN A 70 -11.887 10.732 -3.102 1.00 0.00 C ATOM 1029 C ASN A 70 -12.707 10.323 -4.326 1.00 0.00 C ATOM 1030 O ASN A 70 -13.682 10.987 -4.675 1.00 0.00 O ATOM 1031 CB ASN A 70 -11.854 12.261 -3.043 1.00 0.00 C ATOM 1032 CG ASN A 70 -12.695 12.783 -1.876 1.00 0.00 C ATOM 1033 OD1 ASN A 70 -13.347 12.037 -1.165 1.00 0.00 O ATOM 1034 ND2 ASN A 70 -12.643 14.103 -1.721 1.00 0.00 N ATOM 0 H ASN A 70 -10.212 9.695 -2.386 1.00 0.00 H new ATOM 0 HA ASN A 70 -12.332 10.346 -2.185 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.824 12.602 -2.935 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -12.230 12.673 -3.980 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -13.170 14.549 -0.970 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.076 14.669 -2.353 1.00 0.00 H new ATOM 1041 N GLY A 71 -12.283 9.231 -4.945 1.00 0.00 N ATOM 1042 CA GLY A 71 -12.966 8.725 -6.124 1.00 0.00 C ATOM 1043 C GLY A 71 -12.060 8.795 -7.355 1.00 0.00 C ATOM 1044 O GLY A 71 -12.135 7.938 -8.234 1.00 0.00 O ATOM 0 H GLY A 71 -11.475 8.682 -4.652 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -13.276 7.694 -5.954 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.872 9.305 -6.301 1.00 0.00 H new ATOM 1048 N ILE A 72 -11.226 9.824 -7.379 1.00 0.00 N ATOM 1049 CA ILE A 72 -10.307 10.017 -8.488 1.00 0.00 C ATOM 1050 C ILE A 72 -9.403 8.789 -8.614 1.00 0.00 C ATOM 1051 O ILE A 72 -8.629 8.487 -7.706 1.00 0.00 O ATOM 1052 CB ILE A 72 -9.541 11.331 -8.326 1.00 0.00 C ATOM 1053 CG1 ILE A 72 -10.321 12.499 -8.933 1.00 0.00 C ATOM 1054 CG2 ILE A 72 -8.131 11.219 -8.910 1.00 0.00 C ATOM 1055 CD1 ILE A 72 -10.270 13.726 -8.021 1.00 0.00 C ATOM 0 H ILE A 72 -11.167 10.533 -6.648 1.00 0.00 H new ATOM 0 HA ILE A 72 -10.855 10.108 -9.426 1.00 0.00 H new ATOM 0 HB ILE A 72 -9.434 11.534 -7.261 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -9.906 12.750 -9.909 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -11.358 12.204 -9.094 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.608 12.167 -8.782 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.585 10.430 -8.393 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -8.195 10.980 -9.972 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -10.832 14.541 -8.476 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -10.708 13.479 -7.054 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -9.233 14.033 -7.882 1.00 0.00 H new ATOM 1067 N ASN A 73 -9.529 8.114 -9.747 1.00 0.00 N ATOM 1068 CA ASN A 73 -8.733 6.926 -10.004 1.00 0.00 C ATOM 1069 C ASN A 73 -7.289 7.339 -10.297 1.00 0.00 C ATOM 1070 O ASN A 73 -6.944 7.636 -11.439 1.00 0.00 O ATOM 1071 CB ASN A 73 -9.261 6.161 -11.218 1.00 0.00 C ATOM 1072 CG ASN A 73 -9.540 4.698 -10.866 1.00 0.00 C ATOM 1073 OD1 ASN A 73 -8.928 4.118 -9.985 1.00 0.00 O ATOM 1074 ND2 ASN A 73 -10.496 4.138 -11.602 1.00 0.00 N ATOM 0 H ASN A 73 -10.171 8.367 -10.498 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.788 6.286 -9.123 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -10.175 6.632 -11.580 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -8.534 6.211 -12.028 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -10.757 3.165 -11.444 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -10.968 4.682 -12.324 1.00 0.00 H new ATOM 1081 N LEU A 74 -6.484 7.344 -9.244 1.00 0.00 N ATOM 1082 CA LEU A 74 -5.085 7.715 -9.374 1.00 0.00 C ATOM 1083 C LEU A 74 -4.408 6.789 -10.386 1.00 0.00 C ATOM 1084 O LEU A 74 -3.594 7.234 -11.193 1.00 0.00 O ATOM 1085 CB LEU A 74 -4.405 7.731 -8.004 1.00 0.00 C ATOM 1086 CG LEU A 74 -4.463 9.057 -7.242 1.00 0.00 C ATOM 1087 CD1 LEU A 74 -3.803 8.929 -5.867 1.00 0.00 C ATOM 1088 CD2 LEU A 74 -3.853 10.191 -8.067 1.00 0.00 C ATOM 0 H LEU A 74 -6.774 7.097 -8.298 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.995 8.730 -9.760 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.861 6.959 -7.385 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.359 7.456 -8.137 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.510 9.309 -7.074 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -3.858 9.885 -5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -4.322 8.168 -5.284 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.759 8.642 -5.990 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.907 11.122 -7.502 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -2.811 9.961 -8.288 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.406 10.300 -9.000 1.00 0.00 H new ATOM 1100 N ARG A 75 -4.769 5.516 -10.309 1.00 0.00 N ATOM 1101 CA ARG A 75 -4.206 4.523 -11.207 1.00 0.00 C ATOM 1102 C ARG A 75 -4.096 5.091 -12.624 1.00 0.00 C ATOM 1103 O ARG A 75 -5.070 5.611 -13.165 1.00 0.00 O ATOM 1104 CB ARG A 75 -5.065 3.258 -11.238 1.00 0.00 C ATOM 1105 CG ARG A 75 -4.440 2.149 -10.389 1.00 0.00 C ATOM 1106 CD ARG A 75 -3.498 1.282 -11.227 1.00 0.00 C ATOM 1107 NE ARG A 75 -2.263 0.993 -10.464 1.00 0.00 N ATOM 1108 CZ ARG A 75 -1.255 0.239 -10.924 1.00 0.00 C ATOM 1109 NH1 ARG A 75 -1.329 -0.306 -12.146 1.00 0.00 N ATOM 1110 NH2 ARG A 75 -0.173 0.030 -10.162 1.00 0.00 N ATOM 0 H ARG A 75 -5.445 5.150 -9.638 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.214 4.266 -10.836 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.065 3.484 -10.868 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.176 2.915 -12.267 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.891 2.589 -9.557 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.226 1.528 -9.960 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.994 0.350 -11.499 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.250 1.794 -12.157 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.174 1.393 -9.530 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.153 -0.147 -12.726 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.562 -0.880 -12.496 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.116 0.445 -9.232 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.594 -0.544 -10.512 1.00 0.00 H new ATOM 1124 N SER A 76 -2.901 4.971 -13.184 1.00 0.00 N ATOM 1125 CA SER A 76 -2.651 5.466 -14.527 1.00 0.00 C ATOM 1126 C SER A 76 -2.212 6.930 -14.472 1.00 0.00 C ATOM 1127 O SER A 76 -1.332 7.347 -15.224 1.00 0.00 O ATOM 1128 CB SER A 76 -3.893 5.317 -15.409 1.00 0.00 C ATOM 1129 OG SER A 76 -3.555 5.152 -16.783 1.00 0.00 O ATOM 0 H SER A 76 -2.095 4.538 -12.732 1.00 0.00 H new ATOM 0 HA SER A 76 -1.852 4.870 -14.968 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.475 4.459 -15.073 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.527 6.197 -15.295 1.00 0.00 H new ATOM 0 HG SER A 76 -4.374 5.059 -17.312 1.00 0.00 H new ATOM 1135 N ALA A 77 -2.845 7.672 -13.575 1.00 0.00 N ATOM 1136 CA ALA A 77 -2.530 9.081 -13.412 1.00 0.00 C ATOM 1137 C ALA A 77 -1.014 9.251 -13.300 1.00 0.00 C ATOM 1138 O ALA A 77 -0.276 8.267 -13.267 1.00 0.00 O ATOM 1139 CB ALA A 77 -3.271 9.632 -12.191 1.00 0.00 C ATOM 0 H ALA A 77 -3.575 7.324 -12.953 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.862 9.651 -14.280 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -3.035 10.689 -12.068 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -4.345 9.514 -12.334 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -2.961 9.085 -11.300 1.00 0.00 H new ATOM 1145 N THR A 78 -0.594 10.506 -13.244 1.00 0.00 N ATOM 1146 CA THR A 78 0.821 10.817 -13.136 1.00 0.00 C ATOM 1147 C THR A 78 1.118 11.497 -11.798 1.00 0.00 C ATOM 1148 O THR A 78 0.325 11.404 -10.862 1.00 0.00 O ATOM 1149 CB THR A 78 1.212 11.666 -14.348 1.00 0.00 C ATOM 1150 OG1 THR A 78 0.518 12.895 -14.150 1.00 0.00 O ATOM 1151 CG2 THR A 78 0.637 11.119 -15.656 1.00 0.00 C ATOM 0 H THR A 78 -1.209 11.319 -13.271 1.00 0.00 H new ATOM 0 HA THR A 78 1.426 9.911 -13.146 1.00 0.00 H new ATOM 0 HB THR A 78 2.298 11.714 -14.422 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.558 13.429 -14.971 1.00 0.00 H new ATOM 0 HG21 THR A 78 0.944 11.758 -16.484 1.00 0.00 H new ATOM 0 HG22 THR A 78 1.008 10.107 -15.821 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.451 11.101 -15.596 1.00 0.00 H new ATOM 1159 N GLU A 79 2.261 12.164 -11.749 1.00 0.00 N ATOM 1160 CA GLU A 79 2.672 12.858 -10.541 1.00 0.00 C ATOM 1161 C GLU A 79 2.107 14.280 -10.528 1.00 0.00 C ATOM 1162 O GLU A 79 1.695 14.778 -9.482 1.00 0.00 O ATOM 1163 CB GLU A 79 4.196 12.872 -10.408 1.00 0.00 C ATOM 1164 CG GLU A 79 4.863 13.091 -11.767 1.00 0.00 C ATOM 1165 CD GLU A 79 6.251 13.714 -11.603 1.00 0.00 C ATOM 1166 OE1 GLU A 79 6.348 14.684 -10.820 1.00 0.00 O ATOM 1167 OE2 GLU A 79 7.183 13.207 -12.264 1.00 0.00 O ATOM 0 H GLU A 79 2.916 12.239 -12.527 1.00 0.00 H new ATOM 0 HA GLU A 79 2.271 12.320 -9.682 1.00 0.00 H new ATOM 0 HB2 GLU A 79 4.497 13.662 -9.720 1.00 0.00 H new ATOM 0 HB3 GLU A 79 4.536 11.929 -9.980 1.00 0.00 H new ATOM 0 HG2 GLU A 79 4.947 12.140 -12.292 1.00 0.00 H new ATOM 0 HG3 GLU A 79 4.239 13.740 -12.382 1.00 0.00 H new ATOM 1174 N GLN A 80 2.107 14.893 -11.702 1.00 0.00 N ATOM 1175 CA GLN A 80 1.600 16.248 -11.839 1.00 0.00 C ATOM 1176 C GLN A 80 0.101 16.286 -11.539 1.00 0.00 C ATOM 1177 O GLN A 80 -0.384 17.217 -10.897 1.00 0.00 O ATOM 1178 CB GLN A 80 1.894 16.805 -13.233 1.00 0.00 C ATOM 1179 CG GLN A 80 1.039 16.109 -14.294 1.00 0.00 C ATOM 1180 CD GLN A 80 1.654 16.268 -15.686 1.00 0.00 C ATOM 1181 OE1 GLN A 80 2.644 16.954 -15.880 1.00 0.00 O ATOM 1182 NE2 GLN A 80 1.014 15.598 -16.640 1.00 0.00 N ATOM 0 H GLN A 80 2.450 14.476 -12.568 1.00 0.00 H new ATOM 0 HA GLN A 80 2.112 16.882 -11.115 1.00 0.00 H new ATOM 0 HB2 GLN A 80 1.698 17.877 -13.249 1.00 0.00 H new ATOM 0 HB3 GLN A 80 2.950 16.671 -13.467 1.00 0.00 H new ATOM 0 HG2 GLN A 80 0.945 15.050 -14.053 1.00 0.00 H new ATOM 0 HG3 GLN A 80 0.033 16.528 -14.287 1.00 0.00 H new ATOM 0 HE21 GLN A 80 0.191 15.042 -16.408 1.00 0.00 H new ATOM 0 HE22 GLN A 80 1.346 15.640 -17.603 1.00 0.00 H new ATOM 1191 N GLN A 81 -0.593 15.263 -12.016 1.00 0.00 N ATOM 1192 CA GLN A 81 -2.027 15.168 -11.806 1.00 0.00 C ATOM 1193 C GLN A 81 -2.330 14.852 -10.340 1.00 0.00 C ATOM 1194 O GLN A 81 -3.260 15.410 -9.760 1.00 0.00 O ATOM 1195 CB GLN A 81 -2.648 14.120 -12.732 1.00 0.00 C ATOM 1196 CG GLN A 81 -3.080 14.748 -14.059 1.00 0.00 C ATOM 1197 CD GLN A 81 -2.002 14.562 -15.129 1.00 0.00 C ATOM 1198 OE1 GLN A 81 -1.422 15.509 -15.634 1.00 0.00 O ATOM 1199 NE2 GLN A 81 -1.767 13.292 -15.446 1.00 0.00 N ATOM 0 H GLN A 81 -0.188 14.492 -12.548 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.474 16.132 -12.049 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -1.928 13.323 -12.920 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -3.509 13.663 -12.244 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.013 14.294 -14.394 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -3.276 15.811 -13.916 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.288 12.546 -14.985 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -1.065 13.064 -16.150 1.00 0.00 H new ATOM 1208 N ALA A 82 -1.526 13.958 -9.782 1.00 0.00 N ATOM 1209 CA ALA A 82 -1.696 13.562 -8.395 1.00 0.00 C ATOM 1210 C ALA A 82 -1.386 14.753 -7.487 1.00 0.00 C ATOM 1211 O ALA A 82 -2.061 14.964 -6.480 1.00 0.00 O ATOM 1212 CB ALA A 82 -0.806 12.354 -8.096 1.00 0.00 C ATOM 0 H ALA A 82 -0.755 13.497 -10.266 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.727 13.263 -8.205 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.934 12.057 -7.055 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -1.086 11.526 -8.747 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.237 12.618 -8.273 1.00 0.00 H new ATOM 1218 N ARG A 83 -0.364 15.502 -7.875 1.00 0.00 N ATOM 1219 CA ARG A 83 0.044 16.667 -7.109 1.00 0.00 C ATOM 1220 C ARG A 83 -1.050 17.737 -7.146 1.00 0.00 C ATOM 1221 O ARG A 83 -0.983 18.724 -6.415 1.00 0.00 O ATOM 1222 CB ARG A 83 1.345 17.259 -7.655 1.00 0.00 C ATOM 1223 CG ARG A 83 2.548 16.403 -7.253 1.00 0.00 C ATOM 1224 CD ARG A 83 3.808 16.843 -8.001 1.00 0.00 C ATOM 1225 NE ARG A 83 4.958 16.890 -7.070 1.00 0.00 N ATOM 1226 CZ ARG A 83 6.141 17.446 -7.365 1.00 0.00 C ATOM 1227 NH1 ARG A 83 6.337 18.005 -8.567 1.00 0.00 N ATOM 1228 NH2 ARG A 83 7.127 17.443 -6.459 1.00 0.00 N ATOM 0 H ARG A 83 0.194 15.324 -8.710 1.00 0.00 H new ATOM 0 HA ARG A 83 0.208 16.345 -6.081 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.290 17.328 -8.741 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.474 18.273 -7.278 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.712 16.482 -6.178 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.341 15.355 -7.467 1.00 0.00 H new ATOM 0 HD2 ARG A 83 4.017 16.151 -8.816 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.651 17.824 -8.449 1.00 0.00 H new ATOM 0 HE ARG A 83 4.843 16.473 -6.146 1.00 0.00 H new ATOM 0 HH11 ARG A 83 5.586 18.007 -9.257 1.00 0.00 H new ATOM 0 HH12 ARG A 83 7.237 18.428 -8.792 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.978 17.017 -5.544 1.00 0.00 H new ATOM 0 HH22 ARG A 83 8.027 17.866 -6.684 1.00 0.00 H new ATOM 1242 N LEU A 84 -2.032 17.504 -8.004 1.00 0.00 N ATOM 1243 CA LEU A 84 -3.138 18.435 -8.146 1.00 0.00 C ATOM 1244 C LEU A 84 -4.349 17.903 -7.376 1.00 0.00 C ATOM 1245 O LEU A 84 -4.899 18.595 -6.522 1.00 0.00 O ATOM 1246 CB LEU A 84 -3.422 18.709 -9.625 1.00 0.00 C ATOM 1247 CG LEU A 84 -4.777 18.230 -10.148 1.00 0.00 C ATOM 1248 CD1 LEU A 84 -5.925 18.935 -9.422 1.00 0.00 C ATOM 1249 CD2 LEU A 84 -4.869 18.398 -11.666 1.00 0.00 C ATOM 0 H LEU A 84 -2.085 16.684 -8.608 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.881 19.401 -7.710 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.348 19.783 -9.796 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.639 18.237 -10.218 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.868 17.165 -9.936 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -6.877 18.576 -9.813 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.867 18.721 -8.355 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.850 20.011 -9.581 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.842 18.050 -12.012 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.747 19.450 -11.924 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.083 17.814 -12.145 1.00 0.00 H new ATOM 1261 N ILE A 85 -4.729 16.677 -7.708 1.00 0.00 N ATOM 1262 CA ILE A 85 -5.864 16.044 -7.058 1.00 0.00 C ATOM 1263 C ILE A 85 -5.719 16.180 -5.541 1.00 0.00 C ATOM 1264 O ILE A 85 -6.665 16.563 -4.855 1.00 0.00 O ATOM 1265 CB ILE A 85 -6.016 14.598 -7.535 1.00 0.00 C ATOM 1266 CG1 ILE A 85 -6.169 14.535 -9.056 1.00 0.00 C ATOM 1267 CG2 ILE A 85 -7.172 13.902 -6.813 1.00 0.00 C ATOM 1268 CD1 ILE A 85 -5.629 13.214 -9.607 1.00 0.00 C ATOM 0 H ILE A 85 -4.271 16.106 -8.418 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.791 16.546 -7.335 1.00 0.00 H new ATOM 0 HB ILE A 85 -5.105 14.057 -7.281 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.220 14.642 -9.324 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -5.636 15.369 -9.514 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.259 12.876 -7.170 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -6.981 13.898 -5.740 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.101 14.436 -7.014 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -5.750 13.195 -10.690 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.572 13.121 -9.358 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.180 12.383 -9.166 1.00 0.00 H new ATOM 1280 N ILE A 86 -4.526 15.858 -5.062 1.00 0.00 N ATOM 1281 CA ILE A 86 -4.245 15.938 -3.638 1.00 0.00 C ATOM 1282 C ILE A 86 -4.228 17.407 -3.209 1.00 0.00 C ATOM 1283 O ILE A 86 -4.614 17.734 -2.088 1.00 0.00 O ATOM 1284 CB ILE A 86 -2.957 15.184 -3.303 1.00 0.00 C ATOM 1285 CG1 ILE A 86 -1.731 15.928 -3.836 1.00 0.00 C ATOM 1286 CG2 ILE A 86 -3.018 13.742 -3.810 1.00 0.00 C ATOM 1287 CD1 ILE A 86 -0.537 14.983 -3.984 1.00 0.00 C ATOM 0 H ILE A 86 -3.743 15.541 -5.634 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.032 15.447 -3.065 1.00 0.00 H new ATOM 0 HB ILE A 86 -2.860 15.140 -2.218 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.965 16.378 -4.801 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.473 16.742 -3.159 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.090 13.228 -3.559 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.856 13.227 -3.341 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.151 13.742 -4.892 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.321 15.537 -4.365 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.290 14.554 -3.013 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.790 14.183 -4.680 1.00 0.00 H new ATOM 1299 N GLY A 87 -3.776 18.252 -4.123 1.00 0.00 N ATOM 1300 CA GLY A 87 -3.703 19.678 -3.854 1.00 0.00 C ATOM 1301 C GLY A 87 -4.989 20.384 -4.285 1.00 0.00 C ATOM 1302 O GLY A 87 -4.943 21.478 -4.847 1.00 0.00 O ATOM 0 H GLY A 87 -3.456 17.977 -5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -3.533 19.843 -2.790 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -2.853 20.108 -4.383 1.00 0.00 H new ATOM 1306 N GLN A 88 -6.108 19.730 -4.007 1.00 0.00 N ATOM 1307 CA GLN A 88 -7.405 20.282 -4.359 1.00 0.00 C ATOM 1308 C GLN A 88 -8.119 20.798 -3.109 1.00 0.00 C ATOM 1309 O GLN A 88 -7.540 20.825 -2.024 1.00 0.00 O ATOM 1310 CB GLN A 88 -8.260 19.246 -5.091 1.00 0.00 C ATOM 1311 CG GLN A 88 -7.984 19.272 -6.596 1.00 0.00 C ATOM 1312 CD GLN A 88 -9.290 19.327 -7.392 1.00 0.00 C ATOM 1313 OE1 GLN A 88 -10.018 20.306 -7.374 1.00 0.00 O ATOM 1314 NE2 GLN A 88 -9.545 18.224 -8.090 1.00 0.00 N ATOM 0 H GLN A 88 -6.143 18.823 -3.542 1.00 0.00 H new ATOM 0 HA GLN A 88 -7.250 21.121 -5.037 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.050 18.252 -4.696 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.316 19.446 -4.908 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -7.368 20.137 -6.841 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -7.417 18.386 -6.881 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -8.893 17.440 -8.061 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -10.392 18.162 -8.654 1.00 0.00 H new ATOM 1323 N GLN A 89 -9.368 21.197 -3.302 1.00 0.00 N ATOM 1324 CA GLN A 89 -10.168 21.711 -2.203 1.00 0.00 C ATOM 1325 C GLN A 89 -11.242 20.695 -1.808 1.00 0.00 C ATOM 1326 O GLN A 89 -11.759 19.971 -2.656 1.00 0.00 O ATOM 1327 CB GLN A 89 -10.795 23.058 -2.565 1.00 0.00 C ATOM 1328 CG GLN A 89 -11.114 23.131 -4.060 1.00 0.00 C ATOM 1329 CD GLN A 89 -11.998 21.959 -4.490 1.00 0.00 C ATOM 1330 OE1 GLN A 89 -13.064 21.720 -3.946 1.00 0.00 O ATOM 1331 NE2 GLN A 89 -11.498 21.243 -5.493 1.00 0.00 N ATOM 0 H GLN A 89 -9.845 21.175 -4.203 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.513 21.871 -1.346 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.708 23.205 -1.987 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.113 23.865 -2.295 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -11.618 24.072 -4.282 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -10.187 23.122 -4.634 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -10.600 21.498 -5.903 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -12.013 20.439 -5.852 1.00 0.00 H new ATOM 1340 N CYS A 90 -11.545 20.674 -0.518 1.00 0.00 N ATOM 1341 CA CYS A 90 -12.547 19.759 0.001 1.00 0.00 C ATOM 1342 C CYS A 90 -12.338 19.622 1.510 1.00 0.00 C ATOM 1343 O CYS A 90 -11.380 18.989 1.952 1.00 0.00 O ATOM 1344 CB CYS A 90 -12.497 18.404 -0.708 1.00 0.00 C ATOM 1345 SG CYS A 90 -13.861 18.282 -1.922 1.00 0.00 S ATOM 0 H CYS A 90 -11.114 21.276 0.183 1.00 0.00 H new ATOM 0 HA CYS A 90 -13.542 20.159 -0.191 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -11.538 18.283 -1.212 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -12.576 17.599 0.023 1.00 0.00 H new ATOM 0 HG CYS A 90 -13.587 19.019 -2.958 1.00 0.00 H new ATOM 1351 N ASP A 91 -13.249 20.226 2.259 1.00 0.00 N ATOM 1352 CA ASP A 91 -13.176 20.179 3.710 1.00 0.00 C ATOM 1353 C ASP A 91 -12.763 18.773 4.150 1.00 0.00 C ATOM 1354 O ASP A 91 -11.864 18.616 4.975 1.00 0.00 O ATOM 1355 CB ASP A 91 -14.534 20.491 4.340 1.00 0.00 C ATOM 1356 CG ASP A 91 -14.908 21.975 4.369 1.00 0.00 C ATOM 1357 OD1 ASP A 91 -13.974 22.792 4.519 1.00 0.00 O ATOM 1358 OD2 ASP A 91 -16.118 22.258 4.240 1.00 0.00 O ATOM 0 H ASP A 91 -14.042 20.750 1.889 1.00 0.00 H new ATOM 0 HA ASP A 91 -12.448 20.922 4.035 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -15.305 19.948 3.793 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -14.540 20.110 5.361 1.00 0.00 H new ATOM 1363 N THR A 92 -13.439 17.786 3.580 1.00 0.00 N ATOM 1364 CA THR A 92 -13.154 16.399 3.903 1.00 0.00 C ATOM 1365 C THR A 92 -13.042 15.565 2.625 1.00 0.00 C ATOM 1366 O THR A 92 -13.968 15.537 1.815 1.00 0.00 O ATOM 1367 CB THR A 92 -14.241 15.903 4.859 1.00 0.00 C ATOM 1368 OG1 THR A 92 -14.035 16.667 6.044 1.00 0.00 O ATOM 1369 CG2 THR A 92 -14.014 14.456 5.304 1.00 0.00 C ATOM 0 H THR A 92 -14.184 17.920 2.896 1.00 0.00 H new ATOM 0 HA THR A 92 -12.191 16.300 4.403 1.00 0.00 H new ATOM 0 HB THR A 92 -15.215 15.985 4.376 1.00 0.00 H new ATOM 0 HG1 THR A 92 -14.699 16.411 6.718 1.00 0.00 H new ATOM 0 HG21 THR A 92 -14.813 14.154 5.981 1.00 0.00 H new ATOM 0 HG22 THR A 92 -14.011 13.803 4.431 1.00 0.00 H new ATOM 0 HG23 THR A 92 -13.055 14.379 5.817 1.00 0.00 H new ATOM 1377 N ILE A 93 -11.901 14.907 2.484 1.00 0.00 N ATOM 1378 CA ILE A 93 -11.657 14.075 1.318 1.00 0.00 C ATOM 1379 C ILE A 93 -11.188 12.691 1.773 1.00 0.00 C ATOM 1380 O ILE A 93 -10.504 12.566 2.787 1.00 0.00 O ATOM 1381 CB ILE A 93 -10.687 14.768 0.359 1.00 0.00 C ATOM 1382 CG1 ILE A 93 -9.937 13.745 -0.497 1.00 0.00 C ATOM 1383 CG2 ILE A 93 -9.731 15.691 1.118 1.00 0.00 C ATOM 1384 CD1 ILE A 93 -8.647 13.294 0.191 1.00 0.00 C ATOM 0 H ILE A 93 -11.135 14.933 3.158 1.00 0.00 H new ATOM 0 HA ILE A 93 -12.578 13.930 0.754 1.00 0.00 H new ATOM 0 HB ILE A 93 -11.267 15.393 -0.320 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -10.576 12.881 -0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -9.702 14.181 -1.468 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -9.052 16.171 0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -10.304 16.453 1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -9.155 15.107 1.836 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.134 12.567 -0.439 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.000 14.156 0.352 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -8.887 12.837 1.151 1.00 0.00 H new ATOM 1396 N THR A 94 -11.575 11.687 1.001 1.00 0.00 N ATOM 1397 CA THR A 94 -11.203 10.317 1.312 1.00 0.00 C ATOM 1398 C THR A 94 -10.067 9.853 0.399 1.00 0.00 C ATOM 1399 O THR A 94 -9.853 10.421 -0.671 1.00 0.00 O ATOM 1400 CB THR A 94 -12.460 9.450 1.206 1.00 0.00 C ATOM 1401 OG1 THR A 94 -13.480 10.243 1.808 1.00 0.00 O ATOM 1402 CG2 THR A 94 -12.387 8.203 2.090 1.00 0.00 C ATOM 0 H THR A 94 -12.143 11.794 0.160 1.00 0.00 H new ATOM 0 HA THR A 94 -10.817 10.233 2.328 1.00 0.00 H new ATOM 0 HB THR A 94 -12.609 9.151 0.168 1.00 0.00 H new ATOM 0 HG1 THR A 94 -14.331 9.757 1.781 1.00 0.00 H new ATOM 0 HG21 THR A 94 -13.303 7.623 1.978 1.00 0.00 H new ATOM 0 HG22 THR A 94 -11.533 7.595 1.791 1.00 0.00 H new ATOM 0 HG23 THR A 94 -12.272 8.502 3.132 1.00 0.00 H new ATOM 1410 N ILE A 95 -9.366 8.825 0.856 1.00 0.00 N ATOM 1411 CA ILE A 95 -8.257 8.278 0.094 1.00 0.00 C ATOM 1412 C ILE A 95 -8.291 6.750 0.176 1.00 0.00 C ATOM 1413 O ILE A 95 -8.572 6.188 1.233 1.00 0.00 O ATOM 1414 CB ILE A 95 -6.934 8.889 0.560 1.00 0.00 C ATOM 1415 CG1 ILE A 95 -6.949 10.411 0.407 1.00 0.00 C ATOM 1416 CG2 ILE A 95 -5.749 8.251 -0.168 1.00 0.00 C ATOM 1417 CD1 ILE A 95 -5.643 11.026 0.913 1.00 0.00 C ATOM 0 H ILE A 95 -9.545 8.357 1.744 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.351 8.543 -0.959 1.00 0.00 H new ATOM 0 HB ILE A 95 -6.813 8.674 1.622 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.097 10.673 -0.641 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.790 10.827 0.961 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -4.821 8.703 0.182 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -5.730 7.180 0.036 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -5.850 8.414 -1.241 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.680 12.109 0.793 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.511 10.782 1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.806 10.626 0.340 1.00 0.00 H new ATOM 1429 N LEU A 96 -8.002 6.122 -0.955 1.00 0.00 N ATOM 1430 CA LEU A 96 -7.997 4.671 -1.024 1.00 0.00 C ATOM 1431 C LEU A 96 -6.573 4.183 -1.298 1.00 0.00 C ATOM 1432 O LEU A 96 -6.183 4.011 -2.452 1.00 0.00 O ATOM 1433 CB LEU A 96 -9.023 4.179 -2.047 1.00 0.00 C ATOM 1434 CG LEU A 96 -8.926 2.703 -2.438 1.00 0.00 C ATOM 1435 CD1 LEU A 96 -9.285 1.799 -1.258 1.00 0.00 C ATOM 1436 CD2 LEU A 96 -9.783 2.405 -3.670 1.00 0.00 C ATOM 0 H LEU A 96 -7.770 6.592 -1.830 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.303 4.243 -0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -10.021 4.364 -1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.923 4.781 -2.950 1.00 0.00 H new ATOM 0 HG LEU A 96 -7.892 2.488 -2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -9.208 0.755 -1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -8.598 1.988 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -10.305 2.009 -0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -9.696 1.349 -3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -10.825 2.642 -3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -9.439 3.012 -4.508 1.00 0.00 H new ATOM 1448 N ALA A 97 -5.835 3.973 -0.218 1.00 0.00 N ATOM 1449 CA ALA A 97 -4.463 3.509 -0.327 1.00 0.00 C ATOM 1450 C ALA A 97 -4.428 1.989 -0.156 1.00 0.00 C ATOM 1451 O ALA A 97 -5.414 1.385 0.265 1.00 0.00 O ATOM 1452 CB ALA A 97 -3.595 4.232 0.705 1.00 0.00 C ATOM 0 H ALA A 97 -6.162 4.116 0.738 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.058 3.739 -1.312 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -2.566 3.883 0.623 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -3.630 5.306 0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -3.970 4.022 1.707 1.00 0.00 H new ATOM 1458 N GLN A 98 -3.283 1.413 -0.490 1.00 0.00 N ATOM 1459 CA GLN A 98 -3.107 -0.025 -0.378 1.00 0.00 C ATOM 1460 C GLN A 98 -1.636 -0.362 -0.128 1.00 0.00 C ATOM 1461 O GLN A 98 -0.880 -0.598 -1.070 1.00 0.00 O ATOM 1462 CB GLN A 98 -3.628 -0.740 -1.627 1.00 0.00 C ATOM 1463 CG GLN A 98 -3.746 -2.246 -1.387 1.00 0.00 C ATOM 1464 CD GLN A 98 -3.919 -3.000 -2.707 1.00 0.00 C ATOM 1465 OE1 GLN A 98 -3.466 -2.576 -3.758 1.00 0.00 O ATOM 1466 NE2 GLN A 98 -4.597 -4.138 -2.596 1.00 0.00 N ATOM 0 H GLN A 98 -2.467 1.916 -0.839 1.00 0.00 H new ATOM 0 HA GLN A 98 -3.690 -0.377 0.473 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -4.601 -0.335 -1.903 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -2.956 -0.553 -2.464 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -2.855 -2.607 -0.872 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -4.595 -2.448 -0.735 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -4.949 -4.435 -1.686 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -4.765 -4.714 -3.421 1.00 0.00 H new ATOM 1475 N TYR A 99 -1.273 -0.373 1.146 1.00 0.00 N ATOM 1476 CA TYR A 99 0.095 -0.678 1.532 1.00 0.00 C ATOM 1477 C TYR A 99 0.690 -1.761 0.631 1.00 0.00 C ATOM 1478 O TYR A 99 0.273 -2.917 0.685 1.00 0.00 O ATOM 1479 CB TYR A 99 0.020 -1.207 2.966 1.00 0.00 C ATOM 1480 CG TYR A 99 1.386 -1.447 3.612 1.00 0.00 C ATOM 1481 CD1 TYR A 99 2.115 -2.573 3.288 1.00 0.00 C ATOM 1482 CD2 TYR A 99 1.889 -0.536 4.520 1.00 0.00 C ATOM 1483 CE1 TYR A 99 3.401 -2.798 3.897 1.00 0.00 C ATOM 1484 CE2 TYR A 99 3.175 -0.762 5.128 1.00 0.00 C ATOM 1485 CZ TYR A 99 3.867 -1.882 4.786 1.00 0.00 C ATOM 1486 OH TYR A 99 5.081 -2.094 5.361 1.00 0.00 O ATOM 0 H TYR A 99 -1.902 -0.176 1.924 1.00 0.00 H new ATOM 0 HA TYR A 99 0.725 0.207 1.446 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -0.539 -0.497 3.576 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -0.541 -2.141 2.969 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.722 -3.285 2.578 1.00 0.00 H new ATOM 0 HD2 TYR A 99 1.319 0.345 4.774 1.00 0.00 H new ATOM 0 HE1 TYR A 99 3.982 -3.675 3.652 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.581 -0.058 5.839 1.00 0.00 H new ATOM 0 HH TYR A 99 5.286 -1.357 5.974 1.00 0.00 H new ATOM 1496 N ASN A 100 1.657 -1.349 -0.176 1.00 0.00 N ATOM 1497 CA ASN A 100 2.315 -2.270 -1.087 1.00 0.00 C ATOM 1498 C ASN A 100 3.808 -2.325 -0.760 1.00 0.00 C ATOM 1499 O ASN A 100 4.529 -1.350 -0.966 1.00 0.00 O ATOM 1500 CB ASN A 100 2.165 -1.810 -2.538 1.00 0.00 C ATOM 1501 CG ASN A 100 1.780 -2.979 -3.447 1.00 0.00 C ATOM 1502 OD1 ASN A 100 2.360 -4.051 -3.403 1.00 0.00 O ATOM 1503 ND2 ASN A 100 0.770 -2.713 -4.271 1.00 0.00 N ATOM 0 H ASN A 100 2.001 -0.390 -0.218 1.00 0.00 H new ATOM 0 HA ASN A 100 1.851 -3.249 -0.969 1.00 0.00 H new ATOM 0 HB2 ASN A 100 1.405 -1.031 -2.600 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.101 -1.370 -2.882 1.00 0.00 H new ATOM 0 HD21 ASN A 100 0.437 -3.428 -4.917 1.00 0.00 H new ATOM 0 HD22 ASN A 100 0.328 -1.794 -4.256 1.00 0.00 H new ATOM 1510 N PRO A 101 4.240 -3.506 -0.243 1.00 0.00 N ATOM 1511 CA PRO A 101 5.635 -3.701 0.115 1.00 0.00 C ATOM 1512 C PRO A 101 6.499 -3.892 -1.133 1.00 0.00 C ATOM 1513 O PRO A 101 6.164 -3.395 -2.207 1.00 0.00 O ATOM 1514 CB PRO A 101 5.641 -4.913 1.032 1.00 0.00 C ATOM 1515 CG PRO A 101 4.323 -5.629 0.784 1.00 0.00 C ATOM 1516 CD PRO A 101 3.416 -4.683 0.015 1.00 0.00 C ATOM 0 HA PRO A 101 6.065 -2.835 0.619 1.00 0.00 H new ATOM 0 HB2 PRO A 101 6.487 -5.565 0.813 1.00 0.00 H new ATOM 0 HB3 PRO A 101 5.732 -4.613 2.076 1.00 0.00 H new ATOM 0 HG2 PRO A 101 4.487 -6.545 0.217 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.861 -5.917 1.729 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.069 -5.135 -0.914 1.00 0.00 H new ATOM 0 HD3 PRO A 101 2.529 -4.426 0.595 1.00 0.00 H new