USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 625 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 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 80 TYR OH : rot 180:sc= -1.24 USER MOD Set 2.1: A 60 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 61 SER OG : rot 42:sc=-0.00638 USER MOD Set 2.3: A 89 GLN :FLIP amide:sc= -0.599 F(o=-1.1,f=-0.6) USER MOD Set 2.4: A 92 SER OG : rot 180:sc= 0.00408 USER MOD Set 3.1: A 29 THR OG1 : rot 55:sc= 1.09 USER MOD Set 3.2: A 43 TYR OH : rot -3:sc= -4.1! USER MOD Single : A 20 MET CE :methyl -117:sc= -3.02! (180deg=-3.93!) USER MOD Single : A 22 LYS NZ :NH3+ -157:sc= 0.566 (180deg=0.28) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 CYS SG : rot 81:sc= -0.266 USER MOD Single : A 32 CYS SG : rot 84:sc= 0.22 USER MOD Single : A 33 LYS NZ :NH3+ 139:sc= 0.157 (180deg=-0.00831) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.465 X(o=-0.47,f=-0.054) USER MOD Single : A 45 ASN : amide:sc= -0.303 X(o=-0.3,f=-0.7) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0337 USER MOD Single : A 51 THR OG1 : rot -38:sc= 1.3 USER MOD Single : A 53 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.00286) USER MOD Single : A 54 LYS NZ :NH3+ -139:sc= -0.418 (180deg=-2.07!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -2.06 USER MOD Single : A 76 LYS NZ :NH3+ 164:sc= 1.43 (180deg=1.17) USER MOD Single : A 86 SER OG : rot -44:sc= 1.21 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot 150:sc= -3.07 USER MOD ----------------------------------------------------------------- ATOM 260 N ARG A 17 -13.287 -2.084 -0.283 1.00 0.00 N ATOM 261 CA ARG A 17 -12.234 -1.083 -0.170 1.00 0.00 C ATOM 262 C ARG A 17 -11.826 -0.881 1.286 1.00 0.00 C ATOM 263 O ARG A 17 -10.642 -0.916 1.618 1.00 0.00 O ATOM 264 CB ARG A 17 -12.696 0.247 -0.771 1.00 0.00 C ATOM 265 CG ARG A 17 -12.564 0.307 -2.285 1.00 0.00 C ATOM 266 CD ARG A 17 -12.237 1.715 -2.758 1.00 0.00 C ATOM 267 NE ARG A 17 -11.435 1.709 -3.979 1.00 0.00 N ATOM 268 CZ ARG A 17 -11.937 1.524 -5.197 1.00 0.00 C ATOM 269 NH1 ARG A 17 -13.240 1.327 -5.363 1.00 0.00 N ATOM 270 NH2 ARG A 17 -11.135 1.535 -6.254 1.00 0.00 N ATOM 0 HA ARG A 17 -11.367 -1.443 -0.725 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.737 0.418 -0.498 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.114 1.057 -0.331 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.782 -0.379 -2.611 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.493 -0.027 -2.746 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.163 2.262 -2.935 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.698 2.245 -1.973 1.00 0.00 H new ATOM 0 HE ARG A 17 -10.429 1.856 -3.892 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.861 1.317 -4.554 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.619 1.186 -6.299 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.133 1.685 -6.133 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.520 1.393 -7.188 1.00 0.00 H new ATOM 284 N GLU A 18 -12.814 -0.670 2.150 1.00 0.00 N ATOM 285 CA GLU A 18 -12.557 -0.463 3.571 1.00 0.00 C ATOM 286 C GLU A 18 -11.789 -1.641 4.164 1.00 0.00 C ATOM 287 O GLU A 18 -10.951 -1.468 5.049 1.00 0.00 O ATOM 288 CB GLU A 18 -13.874 -0.263 4.327 1.00 0.00 C ATOM 289 CG GLU A 18 -14.114 1.175 4.757 1.00 0.00 C ATOM 290 CD GLU A 18 -13.263 1.577 5.945 1.00 0.00 C ATOM 291 OE1 GLU A 18 -12.240 0.906 6.196 1.00 0.00 O ATOM 292 OE2 GLU A 18 -13.617 2.565 6.622 1.00 0.00 O ATOM 0 H GLU A 18 -13.800 -0.638 1.891 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.947 0.434 3.676 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.700 -0.587 3.694 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -13.878 -0.903 5.209 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.902 1.841 3.921 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -15.167 1.305 5.008 1.00 0.00 H new ATOM 299 N GLU A 19 -12.079 -2.837 3.667 1.00 0.00 N ATOM 300 CA GLU A 19 -11.414 -4.045 4.145 1.00 0.00 C ATOM 301 C GLU A 19 -10.002 -4.158 3.576 1.00 0.00 C ATOM 302 O GLU A 19 -9.173 -4.908 4.095 1.00 0.00 O ATOM 303 CB GLU A 19 -12.229 -5.283 3.765 1.00 0.00 C ATOM 304 CG GLU A 19 -13.408 -5.543 4.689 1.00 0.00 C ATOM 305 CD GLU A 19 -13.094 -6.563 5.764 1.00 0.00 C ATOM 306 OE1 GLU A 19 -12.553 -7.637 5.423 1.00 0.00 O ATOM 307 OE2 GLU A 19 -13.386 -6.290 6.946 1.00 0.00 O ATOM 0 H GLU A 19 -12.770 -2.997 2.934 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.342 -3.982 5.231 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.596 -5.167 2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.574 -6.155 3.771 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.709 -4.607 5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.256 -5.891 4.100 1.00 0.00 H new ATOM 314 N MET A 20 -9.731 -3.414 2.507 1.00 0.00 N ATOM 315 CA MET A 20 -8.419 -3.436 1.871 1.00 0.00 C ATOM 316 C MET A 20 -7.444 -2.503 2.581 1.00 0.00 C ATOM 317 O MET A 20 -6.260 -2.812 2.710 1.00 0.00 O ATOM 318 CB MET A 20 -8.536 -3.043 0.398 1.00 0.00 C ATOM 319 CG MET A 20 -9.330 -4.036 -0.436 1.00 0.00 C ATOM 320 SD MET A 20 -8.325 -4.858 -1.689 1.00 0.00 S ATOM 321 CE MET A 20 -6.859 -5.255 -0.741 1.00 0.00 C ATOM 0 H MET A 20 -10.404 -2.788 2.064 1.00 0.00 H new ATOM 0 HA MET A 20 -8.032 -4.452 1.942 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.009 -2.063 0.329 1.00 0.00 H new ATOM 0 HB3 MET A 20 -7.536 -2.945 -0.024 1.00 0.00 H new ATOM 0 HG2 MET A 20 -9.769 -4.787 0.221 1.00 0.00 H new ATOM 0 HG3 MET A 20 -10.156 -3.517 -0.922 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.002 -4.727 -1.158 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.003 -4.951 0.296 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.679 -6.329 -0.782 1.00 0.00 H new ATOM 331 N VAL A 21 -7.944 -1.358 3.039 1.00 0.00 N ATOM 332 CA VAL A 21 -7.102 -0.388 3.731 1.00 0.00 C ATOM 333 C VAL A 21 -6.703 -0.898 5.111 1.00 0.00 C ATOM 334 O VAL A 21 -5.591 -0.652 5.579 1.00 0.00 O ATOM 335 CB VAL A 21 -7.793 0.990 3.868 1.00 0.00 C ATOM 336 CG1 VAL A 21 -8.459 1.390 2.563 1.00 0.00 C ATOM 337 CG2 VAL A 21 -8.810 0.989 5.002 1.00 0.00 C ATOM 0 H VAL A 21 -8.921 -1.081 2.944 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.208 -0.260 3.121 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.022 1.723 4.106 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.938 2.362 2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.708 1.450 1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.209 0.646 2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.278 1.971 5.072 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.574 0.237 4.805 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.307 0.759 5.941 1.00 0.00 H new ATOM 347 N LYS A 22 -7.619 -1.611 5.758 1.00 0.00 N ATOM 348 CA LYS A 22 -7.362 -2.156 7.083 1.00 0.00 C ATOM 349 C LYS A 22 -6.315 -3.263 7.018 1.00 0.00 C ATOM 350 O LYS A 22 -5.285 -3.199 7.693 1.00 0.00 O ATOM 351 CB LYS A 22 -8.655 -2.694 7.697 1.00 0.00 C ATOM 352 CG LYS A 22 -9.748 -1.646 7.832 1.00 0.00 C ATOM 353 CD LYS A 22 -9.488 -0.718 9.006 1.00 0.00 C ATOM 354 CE LYS A 22 -10.771 -0.056 9.486 1.00 0.00 C ATOM 355 NZ LYS A 22 -10.949 1.301 8.901 1.00 0.00 N ATOM 0 H LYS A 22 -8.544 -1.824 5.386 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.979 -1.353 7.713 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.025 -3.515 7.083 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.435 -3.106 8.682 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.810 -1.063 6.913 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.712 -2.139 7.963 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -9.039 -1.281 9.824 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -8.769 0.048 8.714 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.623 -0.681 9.219 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.757 0.017 10.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -11.578 1.862 9.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.025 1.772 8.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.369 1.218 7.953 1.00 0.00 H new ATOM 369 N LYS A 23 -6.583 -4.276 6.200 1.00 0.00 N ATOM 370 CA LYS A 23 -5.662 -5.396 6.043 1.00 0.00 C ATOM 371 C LYS A 23 -4.291 -4.906 5.588 1.00 0.00 C ATOM 372 O LYS A 23 -3.265 -5.492 5.929 1.00 0.00 O ATOM 373 CB LYS A 23 -6.218 -6.406 5.038 1.00 0.00 C ATOM 374 CG LYS A 23 -5.320 -7.614 4.827 1.00 0.00 C ATOM 375 CD LYS A 23 -5.405 -8.582 5.997 1.00 0.00 C ATOM 376 CE LYS A 23 -6.721 -9.345 5.999 1.00 0.00 C ATOM 377 NZ LYS A 23 -6.515 -10.811 6.162 1.00 0.00 N ATOM 0 H LYS A 23 -7.430 -4.344 5.636 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.552 -5.885 7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.195 -6.746 5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.372 -5.907 4.081 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -5.607 -8.126 3.908 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.289 -7.285 4.700 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.575 -9.287 5.947 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.301 -8.033 6.933 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.353 -8.976 6.807 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.252 -9.155 5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.436 -11.294 6.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.933 -11.169 5.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.031 -10.995 7.064 1.00 0.00 H new ATOM 391 N CYS A 24 -4.286 -3.823 4.818 1.00 0.00 N ATOM 392 CA CYS A 24 -3.043 -3.246 4.319 1.00 0.00 C ATOM 393 C CYS A 24 -2.158 -2.798 5.479 1.00 0.00 C ATOM 394 O CYS A 24 -0.951 -3.039 5.480 1.00 0.00 O ATOM 395 CB CYS A 24 -3.347 -2.062 3.391 1.00 0.00 C ATOM 396 SG CYS A 24 -1.927 -0.997 3.034 1.00 0.00 S ATOM 0 H CYS A 24 -5.128 -3.327 4.526 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.507 -4.008 3.753 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.741 -2.447 2.450 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.133 -1.457 3.842 1.00 0.00 H new ATOM 0 HG CYS A 24 -1.199 -1.541 2.104 1.00 0.00 H new ATOM 402 N LEU A 25 -2.768 -2.147 6.463 1.00 0.00 N ATOM 403 CA LEU A 25 -2.039 -1.665 7.628 1.00 0.00 C ATOM 404 C LEU A 25 -1.347 -2.815 8.351 1.00 0.00 C ATOM 405 O LEU A 25 -0.215 -2.678 8.813 1.00 0.00 O ATOM 406 CB LEU A 25 -2.986 -0.942 8.586 1.00 0.00 C ATOM 407 CG LEU A 25 -2.318 0.095 9.490 1.00 0.00 C ATOM 408 CD1 LEU A 25 -3.143 1.370 9.544 1.00 0.00 C ATOM 409 CD2 LEU A 25 -2.111 -0.470 10.887 1.00 0.00 C ATOM 0 H LEU A 25 -3.767 -1.941 6.476 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.278 -0.965 7.284 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.762 -0.448 8.002 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.482 -1.684 9.213 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.342 0.339 9.070 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.651 2.095 10.192 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.237 1.785 8.541 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.134 1.146 9.938 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.635 0.282 11.517 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.075 -0.744 11.315 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.475 -1.353 10.832 1.00 0.00 H new ATOM 421 N GLY A 26 -2.035 -3.949 8.446 1.00 0.00 N ATOM 422 CA GLY A 26 -1.468 -5.106 9.116 1.00 0.00 C ATOM 423 C GLY A 26 -0.382 -5.780 8.300 1.00 0.00 C ATOM 424 O GLY A 26 0.638 -6.206 8.843 1.00 0.00 O ATOM 0 H GLY A 26 -2.974 -4.087 8.072 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.057 -4.799 10.077 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.260 -5.825 9.323 1.00 0.00 H new ATOM 428 N GLU A 27 -0.600 -5.880 6.993 1.00 0.00 N ATOM 429 CA GLU A 27 0.368 -6.511 6.103 1.00 0.00 C ATOM 430 C GLU A 27 1.692 -5.752 6.111 1.00 0.00 C ATOM 431 O GLU A 27 2.752 -6.335 6.345 1.00 0.00 O ATOM 432 CB GLU A 27 -0.187 -6.578 4.679 1.00 0.00 C ATOM 433 CG GLU A 27 -0.984 -7.841 4.397 1.00 0.00 C ATOM 434 CD GLU A 27 -0.128 -9.093 4.444 1.00 0.00 C ATOM 435 OE1 GLU A 27 0.770 -9.230 3.587 1.00 0.00 O ATOM 436 OE2 GLU A 27 -0.356 -9.934 5.338 1.00 0.00 O ATOM 0 H GLU A 27 -1.438 -5.532 6.527 1.00 0.00 H new ATOM 0 HA GLU A 27 0.550 -7.524 6.463 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.823 -5.710 4.504 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.640 -6.515 3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.790 -7.928 5.126 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.450 -7.761 3.415 1.00 0.00 H new ATOM 443 N LEU A 28 1.627 -4.450 5.850 1.00 0.00 N ATOM 444 CA LEU A 28 2.824 -3.617 5.827 1.00 0.00 C ATOM 445 C LEU A 28 3.547 -3.661 7.170 1.00 0.00 C ATOM 446 O LEU A 28 4.759 -3.461 7.238 1.00 0.00 O ATOM 447 CB LEU A 28 2.467 -2.172 5.470 1.00 0.00 C ATOM 448 CG LEU A 28 1.917 -1.965 4.056 1.00 0.00 C ATOM 449 CD1 LEU A 28 1.539 -0.509 3.842 1.00 0.00 C ATOM 450 CD2 LEU A 28 2.933 -2.406 3.012 1.00 0.00 C ATOM 0 H LEU A 28 0.760 -3.950 5.652 1.00 0.00 H new ATOM 0 HA LEU A 28 3.493 -4.014 5.063 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.729 -1.810 6.186 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.357 -1.555 5.590 1.00 0.00 H new ATOM 0 HG LEU A 28 1.023 -2.578 3.945 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.150 -0.379 2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.776 -0.221 4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.420 0.119 3.975 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.521 -2.250 2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.846 -1.821 3.123 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.160 -3.463 3.149 1.00 0.00 H new ATOM 462 N THR A 29 2.801 -3.930 8.238 1.00 0.00 N ATOM 463 CA THR A 29 3.385 -4.005 9.571 1.00 0.00 C ATOM 464 C THR A 29 4.375 -5.163 9.651 1.00 0.00 C ATOM 465 O THR A 29 5.412 -5.062 10.303 1.00 0.00 O ATOM 466 CB THR A 29 2.292 -4.173 10.628 1.00 0.00 C ATOM 467 OG1 THR A 29 1.406 -3.068 10.614 1.00 0.00 O ATOM 468 CG2 THR A 29 2.833 -4.304 12.037 1.00 0.00 C ATOM 0 H THR A 29 1.796 -4.099 8.206 1.00 0.00 H new ATOM 0 HA THR A 29 3.916 -3.074 9.766 1.00 0.00 H new ATOM 0 HB THR A 29 1.779 -5.098 10.364 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.049 -2.946 9.709 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.004 -4.420 12.736 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.483 -5.177 12.097 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.401 -3.410 12.293 1.00 0.00 H new ATOM 476 N GLU A 30 4.047 -6.260 8.975 1.00 0.00 N ATOM 477 CA GLU A 30 4.908 -7.436 8.964 1.00 0.00 C ATOM 478 C GLU A 30 6.210 -7.141 8.227 1.00 0.00 C ATOM 479 O GLU A 30 7.297 -7.289 8.785 1.00 0.00 O ATOM 480 CB GLU A 30 4.190 -8.616 8.303 1.00 0.00 C ATOM 481 CG GLU A 30 3.442 -9.498 9.287 1.00 0.00 C ATOM 482 CD GLU A 30 2.312 -8.768 9.986 1.00 0.00 C ATOM 483 OE1 GLU A 30 2.582 -8.087 10.998 1.00 0.00 O ATOM 484 OE2 GLU A 30 1.158 -8.875 9.523 1.00 0.00 O ATOM 0 H GLU A 30 3.192 -6.358 8.428 1.00 0.00 H new ATOM 0 HA GLU A 30 5.142 -7.697 9.996 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.487 -8.235 7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 30 4.921 -9.222 7.767 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.039 -10.363 8.760 1.00 0.00 H new ATOM 0 HG3 GLU A 30 4.141 -9.877 10.033 1.00 0.00 H new ATOM 491 N VAL A 31 6.093 -6.716 6.971 1.00 0.00 N ATOM 492 CA VAL A 31 7.263 -6.395 6.162 1.00 0.00 C ATOM 493 C VAL A 31 8.118 -5.327 6.838 1.00 0.00 C ATOM 494 O VAL A 31 9.336 -5.291 6.664 1.00 0.00 O ATOM 495 CB VAL A 31 6.860 -5.910 4.759 1.00 0.00 C ATOM 496 CG1 VAL A 31 5.962 -4.692 4.860 1.00 0.00 C ATOM 497 CG2 VAL A 31 8.090 -5.608 3.915 1.00 0.00 C ATOM 0 H VAL A 31 5.201 -6.587 6.493 1.00 0.00 H new ATOM 0 HA VAL A 31 7.844 -7.312 6.063 1.00 0.00 H new ATOM 0 HB VAL A 31 6.304 -6.708 4.266 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.685 -4.360 3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 31 5.062 -4.949 5.419 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.492 -3.891 5.374 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.779 -5.267 2.928 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.681 -4.830 4.398 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.692 -6.511 3.814 1.00 0.00 H new ATOM 507 N CYS A 32 7.471 -4.462 7.613 1.00 0.00 N ATOM 508 CA CYS A 32 8.171 -3.397 8.320 1.00 0.00 C ATOM 509 C CYS A 32 9.105 -3.974 9.381 1.00 0.00 C ATOM 510 O CYS A 32 10.229 -3.503 9.555 1.00 0.00 O ATOM 511 CB CYS A 32 7.166 -2.445 8.971 1.00 0.00 C ATOM 512 SG CYS A 32 6.558 -1.147 7.869 1.00 0.00 S ATOM 0 H CYS A 32 6.463 -4.478 7.767 1.00 0.00 H new ATOM 0 HA CYS A 32 8.769 -2.843 7.597 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.318 -3.024 9.336 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.632 -1.980 9.840 1.00 0.00 H new ATOM 0 HG CYS A 32 5.578 -1.611 7.152 1.00 0.00 H new ATOM 518 N LYS A 33 8.630 -4.997 10.085 1.00 0.00 N ATOM 519 CA LYS A 33 9.422 -5.642 11.127 1.00 0.00 C ATOM 520 C LYS A 33 10.560 -6.456 10.518 1.00 0.00 C ATOM 521 O LYS A 33 11.700 -6.385 10.976 1.00 0.00 O ATOM 522 CB LYS A 33 8.536 -6.548 11.984 1.00 0.00 C ATOM 523 CG LYS A 33 7.309 -5.847 12.544 1.00 0.00 C ATOM 524 CD LYS A 33 7.066 -6.224 13.998 1.00 0.00 C ATOM 525 CE LYS A 33 6.310 -5.132 14.739 1.00 0.00 C ATOM 526 NZ LYS A 33 7.012 -4.723 15.987 1.00 0.00 N ATOM 0 H LYS A 33 7.701 -5.397 9.953 1.00 0.00 H new ATOM 0 HA LYS A 33 9.851 -4.863 11.757 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.215 -7.400 11.385 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.127 -6.943 12.810 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.437 -4.768 12.464 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.435 -6.110 11.948 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.500 -7.155 14.044 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.020 -6.406 14.492 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.192 -4.266 14.088 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.309 -5.486 14.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.964 -3.689 16.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.555 -5.173 16.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.007 -5.020 15.939 1.00 0.00 H new ATOM 540 N SER A 34 10.238 -7.228 9.485 1.00 0.00 N ATOM 541 CA SER A 34 11.233 -8.058 8.812 1.00 0.00 C ATOM 542 C SER A 34 12.410 -7.215 8.331 1.00 0.00 C ATOM 543 O SER A 34 13.568 -7.594 8.501 1.00 0.00 O ATOM 544 CB SER A 34 10.598 -8.790 7.628 1.00 0.00 C ATOM 545 OG SER A 34 10.144 -10.078 8.008 1.00 0.00 O ATOM 0 H SER A 34 9.298 -7.297 9.096 1.00 0.00 H new ATOM 0 HA SER A 34 11.604 -8.791 9.529 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.763 -8.206 7.241 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.325 -8.881 6.821 1.00 0.00 H new ATOM 0 HG SER A 34 9.741 -10.524 7.234 1.00 0.00 H new ATOM 551 N LEU A 35 12.103 -6.069 7.733 1.00 0.00 N ATOM 552 CA LEU A 35 13.135 -5.170 7.231 1.00 0.00 C ATOM 553 C LEU A 35 14.039 -4.702 8.367 1.00 0.00 C ATOM 554 O LEU A 35 15.233 -4.478 8.170 1.00 0.00 O ATOM 555 CB LEU A 35 12.499 -3.963 6.537 1.00 0.00 C ATOM 556 CG LEU A 35 11.869 -4.258 5.173 1.00 0.00 C ATOM 557 CD1 LEU A 35 11.230 -3.002 4.596 1.00 0.00 C ATOM 558 CD2 LEU A 35 12.912 -4.822 4.215 1.00 0.00 C ATOM 0 H LEU A 35 11.149 -5.741 7.584 1.00 0.00 H new ATOM 0 HA LEU A 35 13.740 -5.715 6.507 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.733 -3.548 7.192 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.260 -3.193 6.410 1.00 0.00 H new ATOM 0 HG LEU A 35 11.088 -5.006 5.308 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.788 -3.231 3.627 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.455 -2.644 5.273 1.00 0.00 H new ATOM 0 HD13 LEU A 35 11.990 -2.230 4.475 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.447 -5.026 3.250 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.716 -4.097 4.085 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.320 -5.746 4.624 1.00 0.00 H new ATOM 570 N GLY A 36 13.460 -4.560 9.554 1.00 0.00 N ATOM 571 CA GLY A 36 14.226 -4.121 10.706 1.00 0.00 C ATOM 572 C GLY A 36 15.154 -5.200 11.234 1.00 0.00 C ATOM 573 O GLY A 36 16.124 -4.903 11.932 1.00 0.00 O ATOM 0 H GLY A 36 12.473 -4.741 9.739 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.812 -3.243 10.435 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.542 -3.815 11.498 1.00 0.00 H new ATOM 577 N LYS A 37 14.856 -6.452 10.903 1.00 0.00 N ATOM 578 CA LYS A 37 15.669 -7.575 11.351 1.00 0.00 C ATOM 579 C LYS A 37 16.836 -7.822 10.398 1.00 0.00 C ATOM 580 O LYS A 37 17.883 -8.326 10.804 1.00 0.00 O ATOM 581 CB LYS A 37 14.813 -8.838 11.463 1.00 0.00 C ATOM 582 CG LYS A 37 13.599 -8.673 12.362 1.00 0.00 C ATOM 583 CD LYS A 37 12.645 -9.849 12.231 1.00 0.00 C ATOM 584 CE LYS A 37 11.197 -9.413 12.390 1.00 0.00 C ATOM 585 NZ LYS A 37 10.674 -9.706 13.754 1.00 0.00 N ATOM 0 H LYS A 37 14.057 -6.714 10.326 1.00 0.00 H new ATOM 0 HA LYS A 37 16.073 -7.327 12.333 1.00 0.00 H new ATOM 0 HB2 LYS A 37 14.480 -9.131 10.467 1.00 0.00 H new ATOM 0 HB3 LYS A 37 15.429 -9.652 11.845 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.923 -8.579 13.399 1.00 0.00 H new ATOM 0 HG3 LYS A 37 13.078 -7.750 12.106 1.00 0.00 H new ATOM 0 HD2 LYS A 37 12.779 -10.321 11.258 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.885 -10.599 12.985 1.00 0.00 H new ATOM 0 HE2 LYS A 37 11.116 -8.344 12.192 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.581 -9.922 11.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.684 -9.394 13.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.727 -10.729 13.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.245 -9.200 14.461 1.00 0.00 H new ATOM 599 N VAL A 38 16.648 -7.467 9.131 1.00 0.00 N ATOM 600 CA VAL A 38 17.686 -7.654 8.123 1.00 0.00 C ATOM 601 C VAL A 38 18.583 -6.426 8.012 1.00 0.00 C ATOM 602 O VAL A 38 19.798 -6.546 7.861 1.00 0.00 O ATOM 603 CB VAL A 38 17.083 -7.965 6.743 1.00 0.00 C ATOM 604 CG1 VAL A 38 16.302 -9.269 6.781 1.00 0.00 C ATOM 605 CG2 VAL A 38 16.201 -6.822 6.278 1.00 0.00 C ATOM 0 H VAL A 38 15.787 -7.049 8.778 1.00 0.00 H new ATOM 0 HA VAL A 38 18.285 -8.505 8.448 1.00 0.00 H new ATOM 0 HB VAL A 38 17.898 -8.079 6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 38 15.883 -9.471 5.795 1.00 0.00 H new ATOM 0 HG12 VAL A 38 16.968 -10.084 7.067 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.494 -9.188 7.509 1.00 0.00 H new ATOM 0 HG21 VAL A 38 15.783 -7.060 5.300 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.391 -6.673 6.992 1.00 0.00 H new ATOM 0 HG23 VAL A 38 16.794 -5.910 6.207 1.00 0.00 H new ATOM 615 N PHE A 39 17.978 -5.244 8.086 1.00 0.00 N ATOM 616 CA PHE A 39 18.727 -3.997 7.992 1.00 0.00 C ATOM 617 C PHE A 39 19.326 -3.613 9.341 1.00 0.00 C ATOM 618 O PHE A 39 20.350 -2.933 9.405 1.00 0.00 O ATOM 619 CB PHE A 39 17.823 -2.872 7.483 1.00 0.00 C ATOM 620 CG PHE A 39 17.618 -2.894 5.995 1.00 0.00 C ATOM 621 CD1 PHE A 39 18.618 -2.464 5.139 1.00 0.00 C ATOM 622 CD2 PHE A 39 16.424 -3.347 5.454 1.00 0.00 C ATOM 623 CE1 PHE A 39 18.432 -2.484 3.769 1.00 0.00 C ATOM 624 CE2 PHE A 39 16.232 -3.368 4.086 1.00 0.00 C ATOM 625 CZ PHE A 39 17.238 -2.936 3.242 1.00 0.00 C ATOM 0 H PHE A 39 16.973 -5.125 8.211 1.00 0.00 H new ATOM 0 HA PHE A 39 19.543 -4.148 7.285 1.00 0.00 H new ATOM 0 HB2 PHE A 39 16.854 -2.944 7.976 1.00 0.00 H new ATOM 0 HB3 PHE A 39 18.255 -1.913 7.768 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.553 -2.109 5.546 1.00 0.00 H new ATOM 0 HD2 PHE A 39 15.636 -3.687 6.109 1.00 0.00 H new ATOM 0 HE1 PHE A 39 19.220 -2.146 3.112 1.00 0.00 H new ATOM 0 HE2 PHE A 39 15.297 -3.721 3.677 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.091 -2.952 2.172 1.00 0.00 H new ATOM 635 N GLY A 40 18.683 -4.054 10.418 1.00 0.00 N ATOM 636 CA GLY A 40 19.170 -3.749 11.750 1.00 0.00 C ATOM 637 C GLY A 40 18.535 -2.499 12.332 1.00 0.00 C ATOM 638 O GLY A 40 19.113 -1.851 13.203 1.00 0.00 O ATOM 0 H GLY A 40 17.833 -4.617 10.391 1.00 0.00 H new ATOM 0 HA2 GLY A 40 18.969 -4.594 12.408 1.00 0.00 H new ATOM 0 HA3 GLY A 40 20.252 -3.621 11.717 1.00 0.00 H new ATOM 642 N VAL A 41 17.342 -2.164 11.852 1.00 0.00 N ATOM 643 CA VAL A 41 16.630 -0.987 12.335 1.00 0.00 C ATOM 644 C VAL A 41 15.405 -1.385 13.150 1.00 0.00 C ATOM 645 O VAL A 41 15.069 -2.566 13.250 1.00 0.00 O ATOM 646 CB VAL A 41 16.186 -0.078 11.172 1.00 0.00 C ATOM 647 CG1 VAL A 41 17.395 0.535 10.484 1.00 0.00 C ATOM 648 CG2 VAL A 41 15.337 -0.855 10.179 1.00 0.00 C ATOM 0 H VAL A 41 16.849 -2.690 11.130 1.00 0.00 H new ATOM 0 HA VAL A 41 17.324 -0.436 12.969 1.00 0.00 H new ATOM 0 HB VAL A 41 15.578 0.730 11.579 1.00 0.00 H new ATOM 0 HG11 VAL A 41 17.063 1.174 9.666 1.00 0.00 H new ATOM 0 HG12 VAL A 41 17.960 1.130 11.202 1.00 0.00 H new ATOM 0 HG13 VAL A 41 18.031 -0.258 10.090 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.034 -0.196 9.366 1.00 0.00 H new ATOM 0 HG22 VAL A 41 15.917 -1.685 9.776 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.451 -1.242 10.682 1.00 0.00 H new ATOM 658 N HIS A 42 14.741 -0.394 13.737 1.00 0.00 N ATOM 659 CA HIS A 42 13.555 -0.643 14.546 1.00 0.00 C ATOM 660 C HIS A 42 12.298 -0.684 13.683 1.00 0.00 C ATOM 661 O HIS A 42 12.296 -0.206 12.548 1.00 0.00 O ATOM 662 CB HIS A 42 13.412 0.435 15.624 1.00 0.00 C ATOM 663 CG HIS A 42 12.639 -0.019 16.823 1.00 0.00 C ATOM 664 ND1 HIS A 42 11.946 0.846 17.643 1.00 0.00 N ATOM 665 CD2 HIS A 42 12.450 -1.256 17.339 1.00 0.00 C ATOM 666 CE1 HIS A 42 11.365 0.161 18.613 1.00 0.00 C ATOM 667 NE2 HIS A 42 11.655 -1.117 18.449 1.00 0.00 N ATOM 0 H HIS A 42 15.005 0.589 13.667 1.00 0.00 H new ATOM 0 HA HIS A 42 13.674 -1.615 15.024 1.00 0.00 H new ATOM 0 HB2 HIS A 42 14.405 0.755 15.941 1.00 0.00 H new ATOM 0 HB3 HIS A 42 12.919 1.306 15.192 1.00 0.00 H new ATOM 0 HD2 HIS A 42 12.850 -2.180 16.950 1.00 0.00 H new ATOM 0 HE1 HIS A 42 10.757 0.575 19.404 1.00 0.00 H new ATOM 0 HE2 HIS A 42 11.339 -1.878 19.050 1.00 0.00 H new ATOM 676 N TYR A 43 11.231 -1.256 14.231 1.00 0.00 N ATOM 677 CA TYR A 43 9.963 -1.362 13.518 1.00 0.00 C ATOM 678 C TYR A 43 9.484 0.012 13.052 1.00 0.00 C ATOM 679 O TYR A 43 9.312 0.248 11.856 1.00 0.00 O ATOM 680 CB TYR A 43 8.909 -2.014 14.420 1.00 0.00 C ATOM 681 CG TYR A 43 7.495 -1.923 13.887 1.00 0.00 C ATOM 682 CD1 TYR A 43 7.227 -2.106 12.538 1.00 0.00 C ATOM 683 CD2 TYR A 43 6.429 -1.652 14.737 1.00 0.00 C ATOM 684 CE1 TYR A 43 5.937 -2.022 12.048 1.00 0.00 C ATOM 685 CE2 TYR A 43 5.137 -1.568 14.256 1.00 0.00 C ATOM 686 CZ TYR A 43 4.896 -1.752 12.911 1.00 0.00 C ATOM 687 OH TYR A 43 3.611 -1.668 12.429 1.00 0.00 O ATOM 0 H TYR A 43 11.219 -1.655 15.170 1.00 0.00 H new ATOM 0 HA TYR A 43 10.113 -1.986 12.637 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.166 -3.064 14.560 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.946 -1.543 15.402 1.00 0.00 H new ATOM 0 HD1 TYR A 43 8.040 -2.318 11.859 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.614 -1.505 15.791 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.746 -2.167 10.995 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.320 -1.359 14.930 1.00 0.00 H new ATOM 0 HH TYR A 43 3.619 -1.776 11.455 1.00 0.00 H new ATOM 697 N PHE A 44 9.273 0.913 14.004 1.00 0.00 N ATOM 698 CA PHE A 44 8.816 2.262 13.693 1.00 0.00 C ATOM 699 C PHE A 44 9.800 2.976 12.766 1.00 0.00 C ATOM 700 O PHE A 44 9.439 3.939 12.089 1.00 0.00 O ATOM 701 CB PHE A 44 8.633 3.071 14.978 1.00 0.00 C ATOM 702 CG PHE A 44 7.334 2.796 15.680 1.00 0.00 C ATOM 703 CD1 PHE A 44 6.151 3.350 15.215 1.00 0.00 C ATOM 704 CD2 PHE A 44 7.295 1.986 16.802 1.00 0.00 C ATOM 705 CE1 PHE A 44 4.953 3.100 15.858 1.00 0.00 C ATOM 706 CE2 PHE A 44 6.100 1.733 17.449 1.00 0.00 C ATOM 707 CZ PHE A 44 4.927 2.291 16.976 1.00 0.00 C ATOM 0 H PHE A 44 9.411 0.734 14.999 1.00 0.00 H new ATOM 0 HA PHE A 44 7.857 2.181 13.181 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.457 2.851 15.657 1.00 0.00 H new ATOM 0 HB3 PHE A 44 8.691 4.133 14.740 1.00 0.00 H new ATOM 0 HD1 PHE A 44 6.166 3.984 14.341 1.00 0.00 H new ATOM 0 HD2 PHE A 44 8.208 1.547 17.176 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.038 3.537 15.486 1.00 0.00 H new ATOM 0 HE2 PHE A 44 6.083 1.100 18.324 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.992 2.094 17.480 1.00 0.00 H new ATOM 717 N ASN A 45 11.042 2.500 12.743 1.00 0.00 N ATOM 718 CA ASN A 45 12.075 3.096 11.901 1.00 0.00 C ATOM 719 C ASN A 45 11.655 3.094 10.433 1.00 0.00 C ATOM 720 O ASN A 45 11.863 4.074 9.718 1.00 0.00 O ATOM 721 CB ASN A 45 13.395 2.340 12.070 1.00 0.00 C ATOM 722 CG ASN A 45 14.583 3.273 12.187 1.00 0.00 C ATOM 723 OD1 ASN A 45 15.484 3.050 12.997 1.00 0.00 O ATOM 724 ND2 ASN A 45 14.592 4.327 11.380 1.00 0.00 N ATOM 0 H ASN A 45 11.357 1.704 13.297 1.00 0.00 H new ATOM 0 HA ASN A 45 12.213 4.131 12.215 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.340 1.713 12.960 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.541 1.675 11.219 1.00 0.00 H new ATOM 0 HD21 ASN A 45 15.366 4.990 11.416 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.825 4.473 10.724 1.00 0.00 H new ATOM 731 N ILE A 46 11.067 1.986 9.989 1.00 0.00 N ATOM 732 CA ILE A 46 10.624 1.864 8.604 1.00 0.00 C ATOM 733 C ILE A 46 9.564 2.907 8.273 1.00 0.00 C ATOM 734 O ILE A 46 9.801 3.815 7.476 1.00 0.00 O ATOM 735 CB ILE A 46 10.048 0.463 8.318 1.00 0.00 C ATOM 736 CG1 ILE A 46 11.023 -0.624 8.773 1.00 0.00 C ATOM 737 CG2 ILE A 46 9.731 0.309 6.837 1.00 0.00 C ATOM 738 CD1 ILE A 46 12.408 -0.483 8.177 1.00 0.00 C ATOM 0 H ILE A 46 10.887 1.164 10.565 1.00 0.00 H new ATOM 0 HA ILE A 46 11.502 2.025 7.978 1.00 0.00 H new ATOM 0 HB ILE A 46 9.122 0.351 8.883 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.100 -0.600 9.860 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.618 -1.600 8.504 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.325 -0.686 6.653 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.998 1.060 6.542 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.642 0.443 6.254 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.046 -1.288 8.544 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.344 -0.538 7.090 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.833 0.478 8.468 1.00 0.00 H new ATOM 750 N PHE A 47 8.394 2.770 8.886 1.00 0.00 N ATOM 751 CA PHE A 47 7.295 3.696 8.652 1.00 0.00 C ATOM 752 C PHE A 47 6.595 4.054 9.958 1.00 0.00 C ATOM 753 O PHE A 47 6.707 3.337 10.953 1.00 0.00 O ATOM 754 CB PHE A 47 6.289 3.086 7.672 1.00 0.00 C ATOM 755 CG PHE A 47 6.845 2.866 6.292 1.00 0.00 C ATOM 756 CD1 PHE A 47 7.721 3.778 5.726 1.00 0.00 C ATOM 757 CD2 PHE A 47 6.488 1.744 5.560 1.00 0.00 C ATOM 758 CE1 PHE A 47 8.231 3.577 4.458 1.00 0.00 C ATOM 759 CE2 PHE A 47 6.995 1.537 4.291 1.00 0.00 C ATOM 760 CZ PHE A 47 7.868 2.454 3.740 1.00 0.00 C ATOM 0 H PHE A 47 8.183 2.025 9.550 1.00 0.00 H new ATOM 0 HA PHE A 47 7.707 4.608 8.221 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.940 2.133 8.070 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.420 3.740 7.604 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.009 4.657 6.283 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.806 1.023 5.986 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.912 4.297 4.029 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.709 0.659 3.731 1.00 0.00 H new ATOM 0 HZ PHE A 47 8.266 2.294 2.749 1.00 0.00 H new ATOM 770 N ASN A 48 5.871 5.168 9.947 1.00 0.00 N ATOM 771 CA ASN A 48 5.149 5.623 11.130 1.00 0.00 C ATOM 772 C ASN A 48 3.671 5.256 11.036 1.00 0.00 C ATOM 773 O ASN A 48 3.176 4.902 9.966 1.00 0.00 O ATOM 774 CB ASN A 48 5.304 7.137 11.295 1.00 0.00 C ATOM 775 CG ASN A 48 5.741 7.523 12.694 1.00 0.00 C ATOM 776 OD1 ASN A 48 6.930 7.511 13.012 1.00 0.00 O ATOM 777 ND2 ASN A 48 4.778 7.867 13.541 1.00 0.00 N ATOM 0 H ASN A 48 5.768 5.773 9.132 1.00 0.00 H new ATOM 0 HA ASN A 48 5.574 5.125 12.002 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.034 7.506 10.574 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.356 7.624 11.066 1.00 0.00 H new ATOM 0 HD21 ASN A 48 5.011 8.135 14.497 1.00 0.00 H new ATOM 0 HD22 ASN A 48 3.805 7.863 13.236 1.00 0.00 H new ATOM 784 N THR A 49 2.971 5.341 12.164 1.00 0.00 N ATOM 785 CA THR A 49 1.548 5.015 12.211 1.00 0.00 C ATOM 786 C THR A 49 0.781 5.745 11.111 1.00 0.00 C ATOM 787 O THR A 49 -0.072 5.161 10.442 1.00 0.00 O ATOM 788 CB THR A 49 0.968 5.377 13.578 1.00 0.00 C ATOM 789 OG1 THR A 49 1.876 5.044 14.613 1.00 0.00 O ATOM 790 CG2 THR A 49 -0.342 4.679 13.877 1.00 0.00 C ATOM 0 H THR A 49 3.366 5.633 13.058 1.00 0.00 H new ATOM 0 HA THR A 49 1.442 3.942 12.049 1.00 0.00 H new ATOM 0 HB THR A 49 0.789 6.452 13.539 1.00 0.00 H new ATOM 0 HG1 THR A 49 1.487 5.285 15.480 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.698 4.980 14.862 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.081 4.954 13.124 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.191 3.600 13.860 1.00 0.00 H new ATOM 798 N VAL A 50 1.090 7.024 10.929 1.00 0.00 N ATOM 799 CA VAL A 50 0.430 7.832 9.910 1.00 0.00 C ATOM 800 C VAL A 50 0.769 7.337 8.508 1.00 0.00 C ATOM 801 O VAL A 50 -0.021 7.490 7.577 1.00 0.00 O ATOM 802 CB VAL A 50 0.823 9.315 10.023 1.00 0.00 C ATOM 803 CG1 VAL A 50 0.118 9.971 11.200 1.00 0.00 C ATOM 804 CG2 VAL A 50 2.330 9.452 10.152 1.00 0.00 C ATOM 0 H VAL A 50 1.793 7.524 11.474 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.642 7.734 10.080 1.00 0.00 H new ATOM 0 HB VAL A 50 0.507 9.827 9.114 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.410 11.019 11.261 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.961 9.903 11.062 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.399 9.462 12.122 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.594 10.507 10.231 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.668 8.925 11.044 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.811 9.023 9.273 1.00 0.00 H new ATOM 814 N THR A 51 1.951 6.746 8.366 1.00 0.00 N ATOM 815 CA THR A 51 2.400 6.230 7.077 1.00 0.00 C ATOM 816 C THR A 51 1.584 5.012 6.655 1.00 0.00 C ATOM 817 O THR A 51 0.967 5.005 5.590 1.00 0.00 O ATOM 818 CB THR A 51 3.885 5.865 7.144 1.00 0.00 C ATOM 819 OG1 THR A 51 4.662 6.994 7.503 1.00 0.00 O ATOM 820 CG2 THR A 51 4.430 5.329 5.838 1.00 0.00 C ATOM 0 H THR A 51 2.616 6.612 9.128 1.00 0.00 H new ATOM 0 HA THR A 51 2.254 7.012 6.332 1.00 0.00 H new ATOM 0 HB THR A 51 3.956 5.080 7.897 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.301 7.793 7.065 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.487 5.090 5.955 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.884 4.428 5.558 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.313 6.082 5.058 1.00 0.00 H new ATOM 828 N LEU A 52 1.593 3.980 7.493 1.00 0.00 N ATOM 829 CA LEU A 52 0.860 2.750 7.205 1.00 0.00 C ATOM 830 C LEU A 52 -0.604 3.042 6.881 1.00 0.00 C ATOM 831 O LEU A 52 -1.136 2.561 5.880 1.00 0.00 O ATOM 832 CB LEU A 52 0.948 1.790 8.392 1.00 0.00 C ATOM 833 CG LEU A 52 2.369 1.453 8.847 1.00 0.00 C ATOM 834 CD1 LEU A 52 2.401 1.187 10.345 1.00 0.00 C ATOM 835 CD2 LEU A 52 2.901 0.252 8.080 1.00 0.00 C ATOM 0 H LEU A 52 2.100 3.970 8.378 1.00 0.00 H new ATOM 0 HA LEU A 52 1.318 2.285 6.332 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.407 2.225 9.232 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.437 0.864 8.129 1.00 0.00 H new ATOM 0 HG LEU A 52 3.011 2.309 8.637 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.420 0.949 10.651 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.060 2.074 10.879 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.746 0.348 10.580 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.913 0.025 8.415 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.257 -0.609 8.260 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.914 0.478 7.014 1.00 0.00 H new ATOM 847 N LYS A 53 -1.249 3.832 7.733 1.00 0.00 N ATOM 848 CA LYS A 53 -2.651 4.183 7.535 1.00 0.00 C ATOM 849 C LYS A 53 -2.850 4.910 6.208 1.00 0.00 C ATOM 850 O LYS A 53 -3.863 4.725 5.535 1.00 0.00 O ATOM 851 CB LYS A 53 -3.147 5.056 8.689 1.00 0.00 C ATOM 852 CG LYS A 53 -2.459 6.409 8.768 1.00 0.00 C ATOM 853 CD LYS A 53 -3.114 7.308 9.804 1.00 0.00 C ATOM 854 CE LYS A 53 -2.767 6.871 11.219 1.00 0.00 C ATOM 855 NZ LYS A 53 -3.888 6.130 11.862 1.00 0.00 N ATOM 0 H LYS A 53 -0.825 4.241 8.566 1.00 0.00 H new ATOM 0 HA LYS A 53 -3.231 3.260 7.511 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.221 5.210 8.582 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.993 4.524 9.628 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.407 6.269 9.019 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.492 6.893 7.792 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.791 8.338 9.650 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.196 7.290 9.671 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.880 6.239 11.196 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.519 7.747 11.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.577 5.762 12.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.695 6.772 11.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.176 5.338 11.252 1.00 0.00 H new ATOM 869 N LYS A 54 -1.880 5.743 5.842 1.00 0.00 N ATOM 870 CA LYS A 54 -1.954 6.500 4.597 1.00 0.00 C ATOM 871 C LYS A 54 -1.904 5.571 3.388 1.00 0.00 C ATOM 872 O LYS A 54 -2.837 5.537 2.584 1.00 0.00 O ATOM 873 CB LYS A 54 -0.813 7.518 4.528 1.00 0.00 C ATOM 874 CG LYS A 54 -1.284 8.961 4.586 1.00 0.00 C ATOM 875 CD LYS A 54 -2.037 9.250 5.873 1.00 0.00 C ATOM 876 CE LYS A 54 -1.690 10.623 6.426 1.00 0.00 C ATOM 877 NZ LYS A 54 -0.219 10.815 6.548 1.00 0.00 N ATOM 0 H LYS A 54 -1.035 5.911 6.389 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.906 7.031 4.579 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.124 7.336 5.352 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.254 7.363 3.605 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.426 9.628 4.508 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.928 9.169 3.732 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.110 9.191 5.689 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.799 8.487 6.614 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.104 11.392 5.774 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.155 10.749 7.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.006 11.305 7.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.254 9.889 6.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.124 11.385 5.749 1.00 0.00 H new ATOM 891 N LEU A 55 -0.816 4.816 3.263 1.00 0.00 N ATOM 892 CA LEU A 55 -0.656 3.886 2.149 1.00 0.00 C ATOM 893 C LEU A 55 -1.859 2.952 2.032 1.00 0.00 C ATOM 894 O LEU A 55 -2.152 2.435 0.953 1.00 0.00 O ATOM 895 CB LEU A 55 0.627 3.066 2.309 1.00 0.00 C ATOM 896 CG LEU A 55 1.888 3.715 1.728 1.00 0.00 C ATOM 897 CD1 LEU A 55 2.788 4.248 2.832 1.00 0.00 C ATOM 898 CD2 LEU A 55 2.647 2.721 0.864 1.00 0.00 C ATOM 0 H LEU A 55 -0.034 4.830 3.918 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.588 4.476 1.235 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.790 2.878 3.370 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.483 2.097 1.832 1.00 0.00 H new ATOM 0 HG LEU A 55 1.578 4.556 1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.675 4.703 2.391 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.248 4.995 3.413 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.088 3.428 3.485 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.540 3.198 0.459 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.937 1.861 1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.009 2.390 0.044 1.00 0.00 H new ATOM 910 N ALA A 56 -2.555 2.741 3.145 1.00 0.00 N ATOM 911 CA ALA A 56 -3.726 1.873 3.159 1.00 0.00 C ATOM 912 C ALA A 56 -4.960 2.607 2.648 1.00 0.00 C ATOM 913 O ALA A 56 -5.617 2.158 1.711 1.00 0.00 O ATOM 914 CB ALA A 56 -3.970 1.338 4.561 1.00 0.00 C ATOM 0 H ALA A 56 -2.328 3.159 4.047 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.533 1.034 2.491 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.848 0.691 4.556 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.101 0.768 4.889 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.137 2.171 5.244 1.00 0.00 H new ATOM 920 N GLU A 57 -5.270 3.742 3.270 1.00 0.00 N ATOM 921 CA GLU A 57 -6.429 4.540 2.878 1.00 0.00 C ATOM 922 C GLU A 57 -6.478 4.729 1.362 1.00 0.00 C ATOM 923 O GLU A 57 -7.553 4.869 0.779 1.00 0.00 O ATOM 924 CB GLU A 57 -6.393 5.903 3.572 1.00 0.00 C ATOM 925 CG GLU A 57 -6.632 5.828 5.072 1.00 0.00 C ATOM 926 CD GLU A 57 -7.644 6.849 5.553 1.00 0.00 C ATOM 927 OE1 GLU A 57 -8.690 7.009 4.891 1.00 0.00 O ATOM 928 OE2 GLU A 57 -7.389 7.491 6.594 1.00 0.00 O ATOM 0 H GLU A 57 -4.735 4.130 4.047 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.327 4.004 3.187 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.425 6.369 3.390 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.147 6.550 3.124 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.979 4.828 5.331 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.688 5.983 5.595 1.00 0.00 H new ATOM 935 N SER A 58 -5.306 4.728 0.731 1.00 0.00 N ATOM 936 CA SER A 58 -5.217 4.894 -0.715 1.00 0.00 C ATOM 937 C SER A 58 -5.402 3.556 -1.426 1.00 0.00 C ATOM 938 O SER A 58 -6.095 3.471 -2.440 1.00 0.00 O ATOM 939 CB SER A 58 -3.867 5.505 -1.097 1.00 0.00 C ATOM 940 OG SER A 58 -3.954 6.916 -1.190 1.00 0.00 O ATOM 0 H SER A 58 -4.407 4.614 1.199 1.00 0.00 H new ATOM 0 HA SER A 58 -6.014 5.567 -1.030 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.117 5.232 -0.354 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.535 5.094 -2.051 1.00 0.00 H new ATOM 0 HG SER A 58 -3.078 7.282 -1.434 1.00 0.00 H new ATOM 946 N LEU A 59 -4.784 2.512 -0.881 1.00 0.00 N ATOM 947 CA LEU A 59 -4.885 1.173 -1.457 1.00 0.00 C ATOM 948 C LEU A 59 -4.247 1.122 -2.844 1.00 0.00 C ATOM 949 O LEU A 59 -4.807 0.542 -3.775 1.00 0.00 O ATOM 950 CB LEU A 59 -6.352 0.739 -1.528 1.00 0.00 C ATOM 951 CG LEU A 59 -6.672 -0.587 -0.837 1.00 0.00 C ATOM 952 CD1 LEU A 59 -5.993 -1.743 -1.554 1.00 0.00 C ATOM 953 CD2 LEU A 59 -6.251 -0.542 0.624 1.00 0.00 C ATOM 0 H LEU A 59 -4.208 2.567 -0.041 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.342 0.482 -0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.968 1.520 -1.083 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.642 0.664 -2.576 1.00 0.00 H new ATOM 0 HG LEU A 59 -7.750 -0.745 -0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -6.233 -2.677 -1.047 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.345 -1.789 -2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.913 -1.593 -1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.486 -1.494 1.100 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.178 -0.360 0.688 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.786 0.260 1.132 1.00 0.00 H new ATOM 965 N SER A 60 -3.069 1.726 -2.974 1.00 0.00 N ATOM 966 CA SER A 60 -2.356 1.743 -4.247 1.00 0.00 C ATOM 967 C SER A 60 -0.859 1.527 -4.038 1.00 0.00 C ATOM 968 O SER A 60 -0.281 2.018 -3.069 1.00 0.00 O ATOM 969 CB SER A 60 -2.594 3.069 -4.971 1.00 0.00 C ATOM 970 OG SER A 60 -2.629 2.886 -6.375 1.00 0.00 O ATOM 0 H SER A 60 -2.589 2.209 -2.215 1.00 0.00 H new ATOM 0 HA SER A 60 -2.740 0.927 -4.859 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.534 3.506 -4.635 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.804 3.774 -4.713 1.00 0.00 H new ATOM 0 HG SER A 60 -2.784 3.749 -6.814 1.00 0.00 H new ATOM 976 N SER A 61 -0.237 0.790 -4.953 1.00 0.00 N ATOM 977 CA SER A 61 1.192 0.512 -4.870 1.00 0.00 C ATOM 978 C SER A 61 1.983 1.465 -5.759 1.00 0.00 C ATOM 979 O SER A 61 2.304 1.142 -6.904 1.00 0.00 O ATOM 980 CB SER A 61 1.477 -0.934 -5.275 1.00 0.00 C ATOM 981 OG SER A 61 1.110 -1.169 -6.624 1.00 0.00 O ATOM 0 H SER A 61 -0.701 0.374 -5.761 1.00 0.00 H new ATOM 0 HA SER A 61 1.506 0.661 -3.837 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.537 -1.150 -5.140 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.928 -1.613 -4.622 1.00 0.00 H new ATOM 0 HG SER A 61 1.383 -0.406 -7.175 1.00 0.00 H new ATOM 987 N ASP A 62 2.296 2.640 -5.226 1.00 0.00 N ATOM 988 CA ASP A 62 3.052 3.644 -5.966 1.00 0.00 C ATOM 989 C ASP A 62 4.299 4.057 -5.189 1.00 0.00 C ATOM 990 O ASP A 62 4.351 3.913 -3.970 1.00 0.00 O ATOM 991 CB ASP A 62 2.178 4.867 -6.248 1.00 0.00 C ATOM 992 CG ASP A 62 1.587 4.845 -7.644 1.00 0.00 C ATOM 993 OD1 ASP A 62 1.276 3.741 -8.140 1.00 0.00 O ATOM 994 OD2 ASP A 62 1.434 5.932 -8.241 1.00 0.00 O ATOM 0 H ASP A 62 2.037 2.922 -4.281 1.00 0.00 H new ATOM 0 HA ASP A 62 3.363 3.208 -6.915 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.372 4.911 -5.516 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.772 5.772 -6.122 1.00 0.00 H new ATOM 999 N PRO A 63 5.326 4.569 -5.887 1.00 0.00 N ATOM 1000 CA PRO A 63 6.574 4.993 -5.260 1.00 0.00 C ATOM 1001 C PRO A 63 6.529 6.438 -4.764 1.00 0.00 C ATOM 1002 O PRO A 63 6.921 6.727 -3.633 1.00 0.00 O ATOM 1003 CB PRO A 63 7.580 4.847 -6.396 1.00 0.00 C ATOM 1004 CG PRO A 63 6.798 5.122 -7.640 1.00 0.00 C ATOM 1005 CD PRO A 63 5.359 4.763 -7.349 1.00 0.00 C ATOM 0 HA PRO A 63 6.809 4.408 -4.371 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.406 5.550 -6.285 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.013 3.847 -6.414 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.883 6.171 -7.925 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.181 4.533 -8.474 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.679 5.556 -7.662 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.059 3.859 -7.878 1.00 0.00 H new ATOM 1013 N GLU A 64 6.058 7.345 -5.616 1.00 0.00 N ATOM 1014 CA GLU A 64 5.973 8.758 -5.262 1.00 0.00 C ATOM 1015 C GLU A 64 4.787 9.027 -4.343 1.00 0.00 C ATOM 1016 O GLU A 64 4.862 9.868 -3.445 1.00 0.00 O ATOM 1017 CB GLU A 64 5.855 9.617 -6.523 1.00 0.00 C ATOM 1018 CG GLU A 64 4.809 9.116 -7.506 1.00 0.00 C ATOM 1019 CD GLU A 64 4.398 10.174 -8.511 1.00 0.00 C ATOM 1020 OE1 GLU A 64 4.063 11.299 -8.085 1.00 0.00 O ATOM 1021 OE2 GLU A 64 4.415 9.879 -9.724 1.00 0.00 O ATOM 0 H GLU A 64 5.729 7.126 -6.556 1.00 0.00 H new ATOM 0 HA GLU A 64 6.887 9.022 -4.730 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.610 10.639 -6.234 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.824 9.650 -7.022 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.201 8.249 -8.037 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.929 8.782 -6.956 1.00 0.00 H new ATOM 1028 N VAL A 65 3.690 8.312 -4.574 1.00 0.00 N ATOM 1029 CA VAL A 65 2.487 8.476 -3.765 1.00 0.00 C ATOM 1030 C VAL A 65 2.790 8.312 -2.279 1.00 0.00 C ATOM 1031 O VAL A 65 2.059 8.820 -1.429 1.00 0.00 O ATOM 1032 CB VAL A 65 1.392 7.468 -4.173 1.00 0.00 C ATOM 1033 CG1 VAL A 65 0.134 7.675 -3.343 1.00 0.00 C ATOM 1034 CG2 VAL A 65 1.080 7.587 -5.658 1.00 0.00 C ATOM 0 H VAL A 65 3.609 7.614 -5.314 1.00 0.00 H new ATOM 0 HA VAL A 65 2.124 9.488 -3.945 1.00 0.00 H new ATOM 0 HB VAL A 65 1.766 6.462 -3.981 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.625 6.954 -3.647 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.367 7.533 -2.288 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.243 8.686 -3.499 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.306 6.868 -5.926 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.730 8.596 -5.877 1.00 0.00 H new ATOM 0 HG23 VAL A 65 1.981 7.382 -6.237 1.00 0.00 H new ATOM 1044 N LEU A 66 3.870 7.600 -1.969 1.00 0.00 N ATOM 1045 CA LEU A 66 4.258 7.373 -0.583 1.00 0.00 C ATOM 1046 C LEU A 66 5.130 8.516 -0.075 1.00 0.00 C ATOM 1047 O LEU A 66 5.083 8.872 1.102 1.00 0.00 O ATOM 1048 CB LEU A 66 5.009 6.047 -0.446 1.00 0.00 C ATOM 1049 CG LEU A 66 4.546 4.930 -1.388 1.00 0.00 C ATOM 1050 CD1 LEU A 66 5.069 3.579 -0.919 1.00 0.00 C ATOM 1051 CD2 LEU A 66 3.025 4.903 -1.496 1.00 0.00 C ATOM 0 H LEU A 66 4.489 7.172 -2.657 1.00 0.00 H new ATOM 0 HA LEU A 66 3.351 7.329 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.069 6.230 -0.620 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.910 5.697 0.582 1.00 0.00 H new ATOM 0 HG LEU A 66 4.955 5.135 -2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.729 2.800 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.159 3.596 -0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.694 3.372 0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.722 4.102 -2.170 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.593 4.730 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.671 5.858 -1.885 1.00 0.00 H new ATOM 1063 N LEU A 67 5.928 9.090 -0.972 1.00 0.00 N ATOM 1064 CA LEU A 67 6.813 10.194 -0.616 1.00 0.00 C ATOM 1065 C LEU A 67 6.031 11.335 0.026 1.00 0.00 C ATOM 1066 O LEU A 67 6.499 11.966 0.974 1.00 0.00 O ATOM 1067 CB LEU A 67 7.553 10.702 -1.856 1.00 0.00 C ATOM 1068 CG LEU A 67 8.890 11.390 -1.574 1.00 0.00 C ATOM 1069 CD1 LEU A 67 8.696 12.566 -0.629 1.00 0.00 C ATOM 1070 CD2 LEU A 67 9.889 10.399 -0.995 1.00 0.00 C ATOM 0 H LEU A 67 5.979 8.808 -1.951 1.00 0.00 H new ATOM 0 HA LEU A 67 7.540 9.824 0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.729 9.860 -2.526 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.906 11.401 -2.386 1.00 0.00 H new ATOM 0 HG LEU A 67 9.287 11.768 -2.516 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.658 13.043 -0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.016 13.288 -1.081 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.276 12.211 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 67 10.834 10.906 -0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.498 9.991 -0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.052 9.589 -1.706 1.00 0.00 H new ATOM 1082 N GLN A 68 4.835 11.591 -0.494 1.00 0.00 N ATOM 1083 CA GLN A 68 3.985 12.654 0.033 1.00 0.00 C ATOM 1084 C GLN A 68 3.409 12.269 1.394 1.00 0.00 C ATOM 1085 O GLN A 68 3.004 13.133 2.173 1.00 0.00 O ATOM 1086 CB GLN A 68 2.850 12.959 -0.947 1.00 0.00 C ATOM 1087 CG GLN A 68 3.328 13.517 -2.276 1.00 0.00 C ATOM 1088 CD GLN A 68 3.186 15.024 -2.361 1.00 0.00 C ATOM 1089 OE1 GLN A 68 2.093 15.544 -2.584 1.00 0.00 O ATOM 1090 NE2 GLN A 68 4.295 15.734 -2.184 1.00 0.00 N ATOM 0 H GLN A 68 4.432 11.078 -1.278 1.00 0.00 H new ATOM 0 HA GLN A 68 4.598 13.546 0.159 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.283 12.046 -1.129 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.166 13.673 -0.487 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.373 13.245 -2.425 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.760 13.056 -3.084 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.180 15.261 -2.001 1.00 0.00 H new ATOM 0 HE22 GLN A 68 4.261 16.752 -2.231 1.00 0.00 H new ATOM 1099 N ILE A 69 3.374 10.970 1.674 1.00 0.00 N ATOM 1100 CA ILE A 69 2.849 10.471 2.939 1.00 0.00 C ATOM 1101 C ILE A 69 3.697 10.951 4.114 1.00 0.00 C ATOM 1102 O ILE A 69 4.911 11.123 3.988 1.00 0.00 O ATOM 1103 CB ILE A 69 2.794 8.931 2.949 1.00 0.00 C ATOM 1104 CG1 ILE A 69 2.003 8.423 1.742 1.00 0.00 C ATOM 1105 CG2 ILE A 69 2.178 8.422 4.244 1.00 0.00 C ATOM 1106 CD1 ILE A 69 0.539 8.803 1.772 1.00 0.00 C ATOM 0 H ILE A 69 3.704 10.243 1.040 1.00 0.00 H new ATOM 0 HA ILE A 69 1.838 10.865 3.044 1.00 0.00 H new ATOM 0 HB ILE A 69 3.813 8.548 2.885 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.453 8.818 0.831 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.087 7.337 1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.149 7.332 4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.779 8.758 5.089 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.164 8.811 4.342 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.043 8.409 0.885 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.073 8.386 2.665 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.445 9.889 1.788 1.00 0.00 H new ATOM 1118 N ASP A 70 3.051 11.167 5.255 1.00 0.00 N ATOM 1119 CA ASP A 70 3.744 11.627 6.453 1.00 0.00 C ATOM 1120 C ASP A 70 4.635 10.529 7.024 1.00 0.00 C ATOM 1121 O ASP A 70 4.174 9.423 7.300 1.00 0.00 O ATOM 1122 CB ASP A 70 2.734 12.080 7.510 1.00 0.00 C ATOM 1123 CG ASP A 70 3.321 13.089 8.478 1.00 0.00 C ATOM 1124 OD1 ASP A 70 4.452 12.863 8.957 1.00 0.00 O ATOM 1125 OD2 ASP A 70 2.651 14.106 8.754 1.00 0.00 O ATOM 0 H ASP A 70 2.047 11.031 5.375 1.00 0.00 H new ATOM 0 HA ASP A 70 4.374 12.472 6.175 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.867 12.517 7.015 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.380 11.212 8.065 1.00 0.00 H new ATOM 1130 N GLY A 71 5.915 10.845 7.200 1.00 0.00 N ATOM 1131 CA GLY A 71 6.851 9.875 7.740 1.00 0.00 C ATOM 1132 C GLY A 71 7.724 9.249 6.669 1.00 0.00 C ATOM 1133 O GLY A 71 8.846 8.826 6.945 1.00 0.00 O ATOM 0 H GLY A 71 6.320 11.754 6.979 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.485 10.361 8.482 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.298 9.091 8.257 1.00 0.00 H new ATOM 1137 N VAL A 72 7.207 9.190 5.446 1.00 0.00 N ATOM 1138 CA VAL A 72 7.948 8.611 4.331 1.00 0.00 C ATOM 1139 C VAL A 72 8.938 9.614 3.749 1.00 0.00 C ATOM 1140 O VAL A 72 8.729 10.825 3.829 1.00 0.00 O ATOM 1141 CB VAL A 72 7.002 8.134 3.214 1.00 0.00 C ATOM 1142 CG1 VAL A 72 7.759 7.303 2.191 1.00 0.00 C ATOM 1143 CG2 VAL A 72 5.839 7.345 3.797 1.00 0.00 C ATOM 0 H VAL A 72 6.279 9.536 5.202 1.00 0.00 H new ATOM 0 HA VAL A 72 8.493 7.753 4.726 1.00 0.00 H new ATOM 0 HB VAL A 72 6.598 9.011 2.708 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.073 6.975 1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.552 7.905 1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.195 6.432 2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.182 7.017 2.992 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.221 6.475 4.331 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.280 7.977 4.487 1.00 0.00 H new ATOM 1153 N THR A 73 10.016 9.103 3.162 1.00 0.00 N ATOM 1154 CA THR A 73 11.039 9.955 2.566 1.00 0.00 C ATOM 1155 C THR A 73 11.614 9.317 1.305 1.00 0.00 C ATOM 1156 O THR A 73 11.194 8.232 0.900 1.00 0.00 O ATOM 1157 CB THR A 73 12.159 10.223 3.570 1.00 0.00 C ATOM 1158 OG1 THR A 73 12.488 9.043 4.282 1.00 0.00 O ATOM 1159 CG2 THR A 73 11.811 11.288 4.587 1.00 0.00 C ATOM 0 H THR A 73 10.204 8.103 3.086 1.00 0.00 H new ATOM 0 HA THR A 73 10.572 10.901 2.292 1.00 0.00 H new ATOM 0 HB THR A 73 13.001 10.574 2.974 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.208 9.235 4.918 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.650 11.428 5.269 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.600 12.226 4.074 1.00 0.00 H new ATOM 0 HG23 THR A 73 10.932 10.978 5.152 1.00 0.00 H new ATOM 1167 N GLU A 74 12.576 9.998 0.690 1.00 0.00 N ATOM 1168 CA GLU A 74 13.210 9.499 -0.525 1.00 0.00 C ATOM 1169 C GLU A 74 14.121 8.313 -0.219 1.00 0.00 C ATOM 1170 O GLU A 74 14.319 7.438 -1.059 1.00 0.00 O ATOM 1171 CB GLU A 74 14.013 10.614 -1.199 1.00 0.00 C ATOM 1172 CG GLU A 74 13.255 11.325 -2.310 1.00 0.00 C ATOM 1173 CD GLU A 74 13.352 12.835 -2.209 1.00 0.00 C ATOM 1174 OE1 GLU A 74 14.364 13.330 -1.670 1.00 0.00 O ATOM 1175 OE2 GLU A 74 12.418 13.522 -2.670 1.00 0.00 O ATOM 0 H GLU A 74 12.933 10.897 1.013 1.00 0.00 H new ATOM 0 HA GLU A 74 12.425 9.163 -1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.307 11.345 -0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.931 10.192 -1.609 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.646 11.003 -3.275 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.206 11.029 -2.276 1.00 0.00 H new ATOM 1182 N ASP A 75 14.673 8.294 0.991 1.00 0.00 N ATOM 1183 CA ASP A 75 15.564 7.217 1.407 1.00 0.00 C ATOM 1184 C ASP A 75 14.772 5.988 1.843 1.00 0.00 C ATOM 1185 O ASP A 75 15.214 4.854 1.659 1.00 0.00 O ATOM 1186 CB ASP A 75 16.468 7.686 2.548 1.00 0.00 C ATOM 1187 CG ASP A 75 15.680 8.240 3.719 1.00 0.00 C ATOM 1188 OD1 ASP A 75 15.217 7.436 4.555 1.00 0.00 O ATOM 1189 OD2 ASP A 75 15.527 9.476 3.800 1.00 0.00 O ATOM 0 H ASP A 75 14.519 9.012 1.699 1.00 0.00 H new ATOM 0 HA ASP A 75 16.181 6.942 0.552 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.081 6.852 2.888 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.149 8.452 2.177 1.00 0.00 H new ATOM 1194 N LYS A 76 13.598 6.222 2.422 1.00 0.00 N ATOM 1195 CA LYS A 76 12.746 5.132 2.884 1.00 0.00 C ATOM 1196 C LYS A 76 12.185 4.341 1.706 1.00 0.00 C ATOM 1197 O LYS A 76 12.152 3.111 1.730 1.00 0.00 O ATOM 1198 CB LYS A 76 11.599 5.679 3.736 1.00 0.00 C ATOM 1199 CG LYS A 76 12.064 6.426 4.974 1.00 0.00 C ATOM 1200 CD LYS A 76 12.139 5.509 6.182 1.00 0.00 C ATOM 1201 CE LYS A 76 11.978 6.284 7.479 1.00 0.00 C ATOM 1202 NZ LYS A 76 10.546 6.510 7.819 1.00 0.00 N ATOM 0 H LYS A 76 13.216 7.154 2.582 1.00 0.00 H new ATOM 0 HA LYS A 76 13.355 4.462 3.491 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.991 6.347 3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.957 4.852 4.040 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.044 6.866 4.788 1.00 0.00 H new ATOM 0 HG3 LYS A 76 11.380 7.249 5.182 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.361 4.749 6.112 1.00 0.00 H new ATOM 0 HD3 LYS A 76 13.096 4.987 6.185 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.462 5.739 8.290 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.486 7.244 7.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.466 6.791 8.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.161 7.264 7.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.009 5.633 7.663 1.00 0.00 H new ATOM 1216 N LEU A 77 11.747 5.057 0.676 1.00 0.00 N ATOM 1217 CA LEU A 77 11.191 4.423 -0.515 1.00 0.00 C ATOM 1218 C LEU A 77 12.287 3.777 -1.362 1.00 0.00 C ATOM 1219 O LEU A 77 12.003 2.972 -2.247 1.00 0.00 O ATOM 1220 CB LEU A 77 10.422 5.450 -1.349 1.00 0.00 C ATOM 1221 CG LEU A 77 9.138 4.932 -2.005 1.00 0.00 C ATOM 1222 CD1 LEU A 77 9.397 3.624 -2.736 1.00 0.00 C ATOM 1223 CD2 LEU A 77 8.040 4.757 -0.966 1.00 0.00 C ATOM 0 H LEU A 77 11.766 6.076 0.641 1.00 0.00 H new ATOM 0 HA LEU A 77 10.507 3.639 -0.190 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.168 6.296 -0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.082 5.827 -2.130 1.00 0.00 H new ATOM 0 HG LEU A 77 8.806 5.670 -2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.472 3.274 -3.194 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.148 3.782 -3.510 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.757 2.877 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.136 4.388 -1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.364 4.041 -0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.832 5.716 -0.491 1.00 0.00 H new ATOM 1235 N GLU A 78 13.539 4.138 -1.090 1.00 0.00 N ATOM 1236 CA GLU A 78 14.667 3.592 -1.836 1.00 0.00 C ATOM 1237 C GLU A 78 15.218 2.339 -1.162 1.00 0.00 C ATOM 1238 O GLU A 78 15.559 1.362 -1.830 1.00 0.00 O ATOM 1239 CB GLU A 78 15.772 4.642 -1.969 1.00 0.00 C ATOM 1240 CG GLU A 78 15.750 5.381 -3.298 1.00 0.00 C ATOM 1241 CD GLU A 78 17.075 6.045 -3.619 1.00 0.00 C ATOM 1242 OE1 GLU A 78 17.418 7.042 -2.949 1.00 0.00 O ATOM 1243 OE2 GLU A 78 17.770 5.568 -4.540 1.00 0.00 O ATOM 0 H GLU A 78 13.796 4.804 -0.361 1.00 0.00 H new ATOM 0 HA GLU A 78 14.312 3.318 -2.829 1.00 0.00 H new ATOM 0 HB2 GLU A 78 15.675 5.365 -1.159 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.740 4.156 -1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 78 15.496 4.681 -4.094 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.965 6.137 -3.276 1.00 0.00 H new ATOM 1250 N LYS A 79 15.307 2.373 0.165 1.00 0.00 N ATOM 1251 CA LYS A 79 15.822 1.237 0.924 1.00 0.00 C ATOM 1252 C LYS A 79 14.744 0.179 1.135 1.00 0.00 C ATOM 1253 O LYS A 79 14.946 -0.996 0.830 1.00 0.00 O ATOM 1254 CB LYS A 79 16.363 1.704 2.277 1.00 0.00 C ATOM 1255 CG LYS A 79 17.282 0.695 2.946 1.00 0.00 C ATOM 1256 CD LYS A 79 17.466 1.001 4.424 1.00 0.00 C ATOM 1257 CE LYS A 79 18.911 0.809 4.857 1.00 0.00 C ATOM 1258 NZ LYS A 79 19.056 0.826 6.338 1.00 0.00 N ATOM 0 H LYS A 79 15.030 3.172 0.735 1.00 0.00 H new ATOM 0 HA LYS A 79 16.632 0.790 0.347 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.904 2.640 2.139 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.525 1.915 2.941 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.869 -0.307 2.830 1.00 0.00 H new ATOM 0 HG3 LYS A 79 18.252 0.700 2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 79 17.158 2.027 4.625 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.819 0.352 5.014 1.00 0.00 H new ATOM 0 HE2 LYS A 79 19.284 -0.138 4.467 1.00 0.00 H new ATOM 0 HE3 LYS A 79 19.527 1.597 4.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 20.056 0.692 6.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 18.725 1.739 6.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.489 0.058 6.751 1.00 0.00 H new ATOM 1272 N TYR A 80 13.598 0.603 1.659 1.00 0.00 N ATOM 1273 CA TYR A 80 12.489 -0.309 1.913 1.00 0.00 C ATOM 1274 C TYR A 80 11.468 -0.258 0.783 1.00 0.00 C ATOM 1275 O TYR A 80 10.277 -0.470 1.003 1.00 0.00 O ATOM 1276 CB TYR A 80 11.814 0.037 3.240 1.00 0.00 C ATOM 1277 CG TYR A 80 12.785 0.260 4.376 1.00 0.00 C ATOM 1278 CD1 TYR A 80 13.581 -0.776 4.847 1.00 0.00 C ATOM 1279 CD2 TYR A 80 12.907 1.506 4.977 1.00 0.00 C ATOM 1280 CE1 TYR A 80 14.471 -0.577 5.885 1.00 0.00 C ATOM 1281 CE2 TYR A 80 13.794 1.713 6.015 1.00 0.00 C ATOM 1282 CZ TYR A 80 14.575 0.670 6.466 1.00 0.00 C ATOM 1283 OH TYR A 80 15.460 0.872 7.500 1.00 0.00 O ATOM 0 H TYR A 80 13.413 1.573 1.916 1.00 0.00 H new ATOM 0 HA TYR A 80 12.890 -1.321 1.967 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.211 0.935 3.107 1.00 0.00 H new ATOM 0 HB3 TYR A 80 11.131 -0.768 3.511 1.00 0.00 H new ATOM 0 HD1 TYR A 80 13.503 -1.753 4.394 1.00 0.00 H new ATOM 0 HD2 TYR A 80 12.298 2.327 4.627 1.00 0.00 H new ATOM 0 HE1 TYR A 80 15.082 -1.394 6.240 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.876 2.688 6.472 1.00 0.00 H new ATOM 0 HH TYR A 80 15.410 1.805 7.795 1.00 0.00 H new ATOM 1293 N GLY A 81 11.936 0.028 -0.426 1.00 0.00 N ATOM 1294 CA GLY A 81 11.043 0.106 -1.567 1.00 0.00 C ATOM 1295 C GLY A 81 10.900 -1.216 -2.299 1.00 0.00 C ATOM 1296 O GLY A 81 10.041 -1.357 -3.169 1.00 0.00 O ATOM 0 H GLY A 81 12.918 0.207 -0.637 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.060 0.437 -1.231 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.413 0.861 -2.261 1.00 0.00 H new ATOM 1300 N ALA A 82 11.747 -2.184 -1.963 1.00 0.00 N ATOM 1301 CA ALA A 82 11.705 -3.489 -2.610 1.00 0.00 C ATOM 1302 C ALA A 82 10.942 -4.520 -1.781 1.00 0.00 C ATOM 1303 O ALA A 82 10.442 -5.508 -2.318 1.00 0.00 O ATOM 1304 CB ALA A 82 13.119 -3.980 -2.887 1.00 0.00 C ATOM 0 H ALA A 82 12.469 -2.089 -1.248 1.00 0.00 H new ATOM 0 HA ALA A 82 11.169 -3.370 -3.552 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.077 -4.956 -3.371 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.628 -3.272 -3.541 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.666 -4.064 -1.948 1.00 0.00 H new ATOM 1310 N GLU A 83 10.871 -4.302 -0.470 1.00 0.00 N ATOM 1311 CA GLU A 83 10.183 -5.236 0.418 1.00 0.00 C ATOM 1312 C GLU A 83 8.746 -4.807 0.708 1.00 0.00 C ATOM 1313 O GLU A 83 7.795 -5.451 0.258 1.00 0.00 O ATOM 1314 CB GLU A 83 10.955 -5.378 1.729 1.00 0.00 C ATOM 1315 CG GLU A 83 12.036 -6.446 1.688 1.00 0.00 C ATOM 1316 CD GLU A 83 11.718 -7.636 2.572 1.00 0.00 C ATOM 1317 OE1 GLU A 83 10.601 -8.184 2.452 1.00 0.00 O ATOM 1318 OE2 GLU A 83 12.584 -8.021 3.385 1.00 0.00 O ATOM 0 H GLU A 83 11.278 -3.493 -0.001 1.00 0.00 H new ATOM 0 HA GLU A 83 10.142 -6.198 -0.093 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.412 -4.420 1.977 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.254 -5.613 2.530 1.00 0.00 H new ATOM 0 HG2 GLU A 83 12.166 -6.786 0.661 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.984 -6.009 2.001 1.00 0.00 H new ATOM 1325 N VAL A 84 8.589 -3.734 1.476 1.00 0.00 N ATOM 1326 CA VAL A 84 7.261 -3.245 1.838 1.00 0.00 C ATOM 1327 C VAL A 84 6.401 -2.984 0.604 1.00 0.00 C ATOM 1328 O VAL A 84 5.183 -3.166 0.638 1.00 0.00 O ATOM 1329 CB VAL A 84 7.339 -1.971 2.704 1.00 0.00 C ATOM 1330 CG1 VAL A 84 7.765 -0.773 1.878 1.00 0.00 C ATOM 1331 CG2 VAL A 84 6.006 -1.708 3.389 1.00 0.00 C ATOM 0 H VAL A 84 9.360 -3.188 1.859 1.00 0.00 H new ATOM 0 HA VAL A 84 6.790 -4.032 2.426 1.00 0.00 H new ATOM 0 HB VAL A 84 8.095 -2.131 3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.811 0.110 2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.748 -0.960 1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.043 -0.607 1.079 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.080 -0.805 3.995 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.230 -1.576 2.636 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.752 -2.554 4.027 1.00 0.00 H new ATOM 1341 N ILE A 85 7.035 -2.571 -0.490 1.00 0.00 N ATOM 1342 CA ILE A 85 6.316 -2.304 -1.730 1.00 0.00 C ATOM 1343 C ILE A 85 5.793 -3.605 -2.328 1.00 0.00 C ATOM 1344 O ILE A 85 4.695 -3.647 -2.885 1.00 0.00 O ATOM 1345 CB ILE A 85 7.208 -1.590 -2.764 1.00 0.00 C ATOM 1346 CG1 ILE A 85 7.740 -0.277 -2.185 1.00 0.00 C ATOM 1347 CG2 ILE A 85 6.438 -1.331 -4.051 1.00 0.00 C ATOM 1348 CD1 ILE A 85 6.653 0.737 -1.896 1.00 0.00 C ATOM 0 H ILE A 85 8.042 -2.415 -0.542 1.00 0.00 H new ATOM 0 HA ILE A 85 5.481 -1.647 -1.486 1.00 0.00 H new ATOM 0 HB ILE A 85 8.053 -2.237 -2.998 1.00 0.00 H new ATOM 0 HG12 ILE A 85 8.283 -0.488 -1.264 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.455 0.157 -2.884 1.00 0.00 H new ATOM 0 HG21 ILE A 85 7.086 -0.826 -4.767 1.00 0.00 H new ATOM 0 HG22 ILE A 85 6.102 -2.279 -4.471 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.574 -0.702 -3.838 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.100 1.643 -1.488 1.00 0.00 H new ATOM 0 HD12 ILE A 85 6.125 0.977 -2.819 1.00 0.00 H new ATOM 0 HD13 ILE A 85 5.951 0.322 -1.173 1.00 0.00 H new ATOM 1360 N SER A 86 6.579 -4.669 -2.196 1.00 0.00 N ATOM 1361 CA SER A 86 6.188 -5.975 -2.712 1.00 0.00 C ATOM 1362 C SER A 86 4.850 -6.395 -2.114 1.00 0.00 C ATOM 1363 O SER A 86 4.056 -7.082 -2.757 1.00 0.00 O ATOM 1364 CB SER A 86 7.258 -7.020 -2.389 1.00 0.00 C ATOM 1365 OG SER A 86 7.147 -7.468 -1.049 1.00 0.00 O ATOM 0 H SER A 86 7.489 -4.652 -1.736 1.00 0.00 H new ATOM 0 HA SER A 86 6.086 -5.904 -3.795 1.00 0.00 H new ATOM 0 HB2 SER A 86 7.160 -7.867 -3.068 1.00 0.00 H new ATOM 0 HB3 SER A 86 8.248 -6.594 -2.552 1.00 0.00 H new ATOM 0 HG SER A 86 7.003 -6.700 -0.458 1.00 0.00 H new ATOM 1371 N VAL A 87 4.606 -5.962 -0.880 1.00 0.00 N ATOM 1372 CA VAL A 87 3.361 -6.275 -0.190 1.00 0.00 C ATOM 1373 C VAL A 87 2.230 -5.378 -0.681 1.00 0.00 C ATOM 1374 O VAL A 87 1.055 -5.724 -0.566 1.00 0.00 O ATOM 1375 CB VAL A 87 3.503 -6.109 1.336 1.00 0.00 C ATOM 1376 CG1 VAL A 87 2.310 -6.723 2.053 1.00 0.00 C ATOM 1377 CG2 VAL A 87 4.808 -6.724 1.827 1.00 0.00 C ATOM 0 H VAL A 87 5.256 -5.393 -0.338 1.00 0.00 H new ATOM 0 HA VAL A 87 3.127 -7.316 -0.412 1.00 0.00 H new ATOM 0 HB VAL A 87 3.526 -5.044 1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.428 -6.596 3.129 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.395 -6.228 1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 87 2.251 -7.786 1.817 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.887 -6.595 2.906 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.823 -7.787 1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.649 -6.230 1.340 1.00 0.00 H new ATOM 1387 N LEU A 88 2.594 -4.219 -1.231 1.00 0.00 N ATOM 1388 CA LEU A 88 1.610 -3.272 -1.738 1.00 0.00 C ATOM 1389 C LEU A 88 1.125 -3.666 -3.129 1.00 0.00 C ATOM 1390 O LEU A 88 0.016 -3.311 -3.531 1.00 0.00 O ATOM 1391 CB LEU A 88 2.195 -1.858 -1.769 1.00 0.00 C ATOM 1392 CG LEU A 88 2.083 -1.082 -0.454 1.00 0.00 C ATOM 1393 CD1 LEU A 88 3.440 -0.538 -0.033 1.00 0.00 C ATOM 1394 CD2 LEU A 88 1.074 0.051 -0.586 1.00 0.00 C ATOM 0 H LEU A 88 3.563 -3.917 -1.335 1.00 0.00 H new ATOM 0 HA LEU A 88 0.755 -3.290 -1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.247 -1.922 -2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.693 -1.290 -2.552 1.00 0.00 H new ATOM 0 HG LEU A 88 1.734 -1.768 0.318 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.338 0.010 0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.137 -1.365 0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.819 0.131 -0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.008 0.591 0.358 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.394 0.734 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.096 -0.360 -0.838 1.00 0.00 H new ATOM 1406 N GLN A 89 1.957 -4.399 -3.861 1.00 0.00 N ATOM 1407 CA GLN A 89 1.608 -4.838 -5.208 1.00 0.00 C ATOM 1408 C GLN A 89 0.249 -5.534 -5.227 1.00 0.00 C ATOM 1409 O GLN A 89 -0.430 -5.564 -6.255 1.00 0.00 O ATOM 1410 CB GLN A 89 2.684 -5.778 -5.754 1.00 0.00 C ATOM 1411 CG GLN A 89 2.694 -5.877 -7.270 1.00 0.00 C ATOM 1412 CD GLN A 89 2.876 -4.530 -7.940 1.00 0.00 C ATOM 1413 OE1 GLN A 89 1.770 -3.833 -8.178 1.00 0.00 O flip ATOM 1414 NE2 GLN A 89 3.996 -4.121 -8.243 1.00 0.00 N flip ATOM 0 H GLN A 89 2.878 -4.702 -3.544 1.00 0.00 H new ATOM 0 HA GLN A 89 1.548 -3.955 -5.844 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.661 -5.434 -5.414 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.532 -6.773 -5.334 1.00 0.00 H new ATOM 0 HG2 GLN A 89 3.497 -6.545 -7.582 1.00 0.00 H new ATOM 0 HG3 GLN A 89 1.759 -6.323 -7.608 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.818 -4.690 -8.041 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.102 -3.213 -8.696 1.00 0.00 H new ATOM 1423 N LYS A 90 -0.141 -6.097 -4.088 1.00 0.00 N ATOM 1424 CA LYS A 90 -1.418 -6.794 -3.975 1.00 0.00 C ATOM 1425 C LYS A 90 -2.568 -5.813 -3.759 1.00 0.00 C ATOM 1426 O LYS A 90 -3.711 -6.096 -4.116 1.00 0.00 O ATOM 1427 CB LYS A 90 -1.370 -7.804 -2.826 1.00 0.00 C ATOM 1428 CG LYS A 90 -0.101 -8.640 -2.805 1.00 0.00 C ATOM 1429 CD LYS A 90 -0.377 -10.059 -2.334 1.00 0.00 C ATOM 1430 CE LYS A 90 -0.236 -10.181 -0.825 1.00 0.00 C ATOM 1431 NZ LYS A 90 -1.293 -11.052 -0.238 1.00 0.00 N ATOM 0 H LYS A 90 0.409 -6.084 -3.229 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.594 -7.323 -4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.459 -7.270 -1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.231 -8.468 -2.900 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.336 -8.665 -3.803 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.633 -8.173 -2.148 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.383 -10.353 -2.632 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.314 -10.747 -2.822 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.746 -10.588 -0.584 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.290 -9.190 -0.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.163 -11.110 0.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.229 -10.650 -0.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.226 -12.005 -0.650 1.00 0.00 H new ATOM 1445 N TYR A 91 -2.262 -4.660 -3.171 1.00 0.00 N ATOM 1446 CA TYR A 91 -3.276 -3.643 -2.911 1.00 0.00 C ATOM 1447 C TYR A 91 -3.710 -2.959 -4.204 1.00 0.00 C ATOM 1448 O TYR A 91 -4.852 -2.518 -4.330 1.00 0.00 O ATOM 1449 CB TYR A 91 -2.744 -2.598 -1.924 1.00 0.00 C ATOM 1450 CG TYR A 91 -2.054 -3.188 -0.712 1.00 0.00 C ATOM 1451 CD1 TYR A 91 -2.333 -4.480 -0.280 1.00 0.00 C ATOM 1452 CD2 TYR A 91 -1.117 -2.449 -0.003 1.00 0.00 C ATOM 1453 CE1 TYR A 91 -1.698 -5.016 0.823 1.00 0.00 C ATOM 1454 CE2 TYR A 91 -0.477 -2.979 1.102 1.00 0.00 C ATOM 1455 CZ TYR A 91 -0.770 -4.261 1.509 1.00 0.00 C ATOM 1456 OH TYR A 91 -0.135 -4.792 2.610 1.00 0.00 O ATOM 0 H TYR A 91 -1.322 -4.407 -2.866 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.143 -4.139 -2.474 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.044 -1.945 -2.445 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.573 -1.975 -1.589 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.058 -5.074 -0.816 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -0.884 -1.443 -0.320 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -1.927 -6.021 1.147 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.249 -2.390 1.643 1.00 0.00 H new ATOM 0 HH TYR A 91 0.759 -4.400 2.692 1.00 0.00 H new ATOM 1466 N SER A 92 -2.791 -2.873 -5.160 1.00 0.00 N ATOM 1467 CA SER A 92 -3.079 -2.239 -6.442 1.00 0.00 C ATOM 1468 C SER A 92 -3.637 -3.249 -7.444 1.00 0.00 C ATOM 1469 O SER A 92 -4.413 -2.891 -8.330 1.00 0.00 O ATOM 1470 CB SER A 92 -1.814 -1.589 -7.007 1.00 0.00 C ATOM 1471 OG SER A 92 -2.095 -0.308 -7.545 1.00 0.00 O ATOM 0 H SER A 92 -1.841 -3.234 -5.072 1.00 0.00 H new ATOM 0 HA SER A 92 -3.834 -1.471 -6.275 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.065 -1.500 -6.220 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.389 -2.227 -7.782 1.00 0.00 H new ATOM 0 HG SER A 92 -1.270 0.087 -7.898 1.00 0.00 H new ATOM 1477 N GLU A 93 -3.234 -4.506 -7.299 1.00 0.00 N ATOM 1478 CA GLU A 93 -3.692 -5.563 -8.196 1.00 0.00 C ATOM 1479 C GLU A 93 -5.072 -6.070 -7.788 1.00 0.00 C ATOM 1480 O GLU A 93 -5.858 -6.504 -8.630 1.00 0.00 O ATOM 1481 CB GLU A 93 -2.693 -6.722 -8.202 1.00 0.00 C ATOM 1482 CG GLU A 93 -2.855 -7.657 -9.389 1.00 0.00 C ATOM 1483 CD GLU A 93 -1.814 -8.760 -9.409 1.00 0.00 C ATOM 1484 OE1 GLU A 93 -0.624 -8.455 -9.185 1.00 0.00 O ATOM 1485 OE2 GLU A 93 -2.189 -9.925 -9.650 1.00 0.00 O ATOM 0 H GLU A 93 -2.592 -4.819 -6.571 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.763 -5.145 -9.200 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -1.681 -6.318 -8.203 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.807 -7.294 -7.281 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.850 -8.102 -9.363 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.787 -7.081 -10.312 1.00 0.00 H new