USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 829 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 74 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 79 THR OG1 : rot 100:sc= 1.02 USER MOD Single : A 23 LYS NZ :NH3+ 161:sc= -0.0339 (180deg=-0.307) USER MOD Single : A 29 HIS : no HD1:sc= -2.91 K(o=-2.9,f=-4.1!) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0026 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.863 K(o=-0.86,f=-3.1!) USER MOD Single : A 43 ASN : amide:sc= -0.977 K(o=-0.98,f=-4.1!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -125:sc= 0.811 (180deg=-0.0589) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -0.0515 X(o=-0.052,f=-0.2) USER MOD Single : A 75 SER OG : rot -147:sc= 1.55 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 89 SER OG : rot 180:sc= 0.0733 USER MOD Single : A 91 SER OG : rot -9:sc= 0.0941 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= -0.044 USER MOD Single : A 99 GLN : amide:sc=-0.000687 X(o=-0.00069,f=-0.046) USER MOD Single : A 102 ASN : amide:sc=-0.00158 X(o=-0.0016,f=-0.23) USER MOD Single : A 103 MET CE :methyl -121:sc= -0.484 (180deg=-1.05) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 228 N ILE A 18 26.120 -3.021 7.667 1.00 0.00 N ATOM 229 CA ILE A 18 25.054 -2.084 7.333 1.00 0.00 C ATOM 230 C ILE A 18 25.310 -0.716 7.955 1.00 0.00 C ATOM 231 O ILE A 18 25.788 -0.616 9.085 1.00 0.00 O ATOM 232 CB ILE A 18 23.682 -2.601 7.804 1.00 0.00 C ATOM 233 CG1 ILE A 18 23.363 -3.943 7.141 1.00 0.00 C ATOM 234 CG2 ILE A 18 22.597 -1.581 7.495 1.00 0.00 C ATOM 235 CD1 ILE A 18 22.169 -4.647 7.745 1.00 0.00 C ATOM 0 HA ILE A 18 25.045 -1.991 6.247 1.00 0.00 H new ATOM 0 HB ILE A 18 23.717 -2.749 8.883 1.00 0.00 H new ATOM 0 HG12 ILE A 18 23.179 -3.780 6.079 1.00 0.00 H new ATOM 0 HG13 ILE A 18 24.235 -4.593 7.217 1.00 0.00 H new ATOM 0 HG21 ILE A 18 21.633 -1.961 7.834 1.00 0.00 H new ATOM 0 HG22 ILE A 18 22.820 -0.646 8.009 1.00 0.00 H new ATOM 0 HG23 ILE A 18 22.560 -1.404 6.420 1.00 0.00 H new ATOM 0 HD11 ILE A 18 22.002 -5.591 7.226 1.00 0.00 H new ATOM 0 HD12 ILE A 18 22.357 -4.842 8.801 1.00 0.00 H new ATOM 0 HD13 ILE A 18 21.286 -4.016 7.645 1.00 0.00 H new ATOM 247 N ALA A 19 24.987 0.336 7.211 1.00 0.00 N ATOM 248 CA ALA A 19 25.178 1.700 7.691 1.00 0.00 C ATOM 249 C ALA A 19 23.981 2.165 8.513 1.00 0.00 C ATOM 250 O ALA A 19 24.140 2.673 9.623 1.00 0.00 O ATOM 251 CB ALA A 19 25.415 2.643 6.520 1.00 0.00 C ATOM 0 H ALA A 19 24.592 0.271 6.273 1.00 0.00 H new ATOM 0 HA ALA A 19 26.056 1.712 8.337 1.00 0.00 H new ATOM 0 HB1 ALA A 19 25.556 3.658 6.893 1.00 0.00 H new ATOM 0 HB2 ALA A 19 26.305 2.330 5.975 1.00 0.00 H new ATOM 0 HB3 ALA A 19 24.554 2.618 5.853 1.00 0.00 H new ATOM 257 N GLU A 20 22.785 1.988 7.961 1.00 0.00 N ATOM 258 CA GLU A 20 21.562 2.392 8.645 1.00 0.00 C ATOM 259 C GLU A 20 20.490 1.311 8.527 1.00 0.00 C ATOM 260 O GLU A 20 20.204 0.801 7.444 1.00 0.00 O ATOM 261 CB GLU A 20 21.039 3.709 8.068 1.00 0.00 C ATOM 262 CG GLU A 20 20.041 4.415 8.969 1.00 0.00 C ATOM 263 CD GLU A 20 20.713 5.258 10.036 1.00 0.00 C ATOM 264 OE1 GLU A 20 21.556 6.106 9.677 1.00 0.00 O ATOM 265 OE2 GLU A 20 20.395 5.069 11.229 1.00 0.00 O ATOM 0 H GLU A 20 22.637 1.568 7.043 1.00 0.00 H new ATOM 0 HA GLU A 20 21.796 2.534 9.700 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.882 4.375 7.882 1.00 0.00 H new ATOM 0 HB3 GLU A 20 20.570 3.512 7.104 1.00 0.00 H new ATOM 0 HG2 GLU A 20 19.396 5.050 8.362 1.00 0.00 H new ATOM 0 HG3 GLU A 20 19.401 3.674 9.447 1.00 0.00 H new ATOM 272 N PRO A 21 19.883 0.953 9.668 1.00 0.00 N ATOM 273 CA PRO A 21 18.834 -0.069 9.720 1.00 0.00 C ATOM 274 C PRO A 21 17.539 0.395 9.062 1.00 0.00 C ATOM 275 O PRO A 21 17.235 1.586 9.007 1.00 0.00 O ATOM 276 CB PRO A 21 18.624 -0.286 11.221 1.00 0.00 C ATOM 277 CG PRO A 21 19.056 0.992 11.852 1.00 0.00 C ATOM 278 CD PRO A 21 20.174 1.520 10.996 1.00 0.00 C ATOM 0 HA PRO A 21 19.118 -0.973 9.181 1.00 0.00 H new ATOM 0 HB2 PRO A 21 17.581 -0.506 11.447 1.00 0.00 H new ATOM 0 HB3 PRO A 21 19.214 -1.127 11.586 1.00 0.00 H new ATOM 0 HG2 PRO A 21 18.231 1.703 11.898 1.00 0.00 H new ATOM 0 HG3 PRO A 21 19.393 0.827 12.876 1.00 0.00 H new ATOM 0 HD2 PRO A 21 20.184 2.610 10.974 1.00 0.00 H new ATOM 0 HD3 PRO A 21 21.148 1.200 11.365 1.00 0.00 H new ATOM 286 N PRO A 22 16.757 -0.567 8.551 1.00 0.00 N ATOM 287 CA PRO A 22 15.481 -0.280 7.888 1.00 0.00 C ATOM 288 C PRO A 22 14.416 0.203 8.866 1.00 0.00 C ATOM 289 O PRO A 22 14.235 -0.375 9.938 1.00 0.00 O ATOM 290 CB PRO A 22 15.083 -1.631 7.287 1.00 0.00 C ATOM 291 CG PRO A 22 15.766 -2.642 8.141 1.00 0.00 C ATOM 292 CD PRO A 22 17.057 -2.008 8.580 1.00 0.00 C ATOM 0 HA PRO A 22 15.574 0.519 7.152 1.00 0.00 H new ATOM 0 HB2 PRO A 22 14.002 -1.767 7.301 1.00 0.00 H new ATOM 0 HB3 PRO A 22 15.401 -1.711 6.248 1.00 0.00 H new ATOM 0 HG2 PRO A 22 15.150 -2.908 9.000 1.00 0.00 H new ATOM 0 HG3 PRO A 22 15.952 -3.561 7.585 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.348 -2.338 9.577 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.878 -2.261 7.909 1.00 0.00 H new ATOM 300 N LYS A 23 13.711 1.265 8.490 1.00 0.00 N ATOM 301 CA LYS A 23 12.662 1.825 9.332 1.00 0.00 C ATOM 302 C LYS A 23 11.561 2.454 8.484 1.00 0.00 C ATOM 303 O LYS A 23 11.782 3.461 7.811 1.00 0.00 O ATOM 304 CB LYS A 23 13.247 2.871 10.284 1.00 0.00 C ATOM 305 CG LYS A 23 12.226 3.461 11.241 1.00 0.00 C ATOM 306 CD LYS A 23 11.971 2.540 12.422 1.00 0.00 C ATOM 307 CE LYS A 23 13.102 2.608 13.437 1.00 0.00 C ATOM 308 NZ LYS A 23 13.159 3.931 14.117 1.00 0.00 N ATOM 0 H LYS A 23 13.848 1.755 7.606 1.00 0.00 H new ATOM 0 HA LYS A 23 12.228 1.013 9.916 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.052 2.415 10.861 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.691 3.676 9.698 1.00 0.00 H new ATOM 0 HG2 LYS A 23 12.580 4.427 11.602 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.291 3.642 10.711 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.032 2.815 12.903 1.00 0.00 H new ATOM 0 HD3 LYS A 23 11.860 1.515 12.068 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.970 1.823 14.181 1.00 0.00 H new ATOM 0 HE3 LYS A 23 14.051 2.416 12.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 13.704 3.845 14.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.619 4.623 13.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.194 4.250 14.336 1.00 0.00 H new ATOM 322 N ILE A 24 10.376 1.855 8.522 1.00 0.00 N ATOM 323 CA ILE A 24 9.241 2.359 7.759 1.00 0.00 C ATOM 324 C ILE A 24 8.473 3.414 8.548 1.00 0.00 C ATOM 325 O ILE A 24 7.602 3.089 9.355 1.00 0.00 O ATOM 326 CB ILE A 24 8.276 1.223 7.368 1.00 0.00 C ATOM 327 CG1 ILE A 24 9.013 0.155 6.557 1.00 0.00 C ATOM 328 CG2 ILE A 24 7.099 1.777 6.580 1.00 0.00 C ATOM 329 CD1 ILE A 24 8.264 -1.155 6.463 1.00 0.00 C ATOM 0 H ILE A 24 10.177 1.020 9.073 1.00 0.00 H new ATOM 0 HA ILE A 24 9.645 2.809 6.853 1.00 0.00 H new ATOM 0 HB ILE A 24 7.893 0.761 8.278 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.193 0.534 5.551 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.988 -0.025 7.010 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.426 0.963 6.311 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.563 2.504 7.190 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.463 2.261 5.674 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.845 -1.865 5.874 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.107 -1.557 7.464 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.300 -0.989 5.983 1.00 0.00 H new ATOM 341 N ARG A 25 8.800 4.680 8.307 1.00 0.00 N ATOM 342 CA ARG A 25 8.141 5.783 8.994 1.00 0.00 C ATOM 343 C ARG A 25 6.776 6.072 8.375 1.00 0.00 C ATOM 344 O ARG A 25 6.672 6.800 7.387 1.00 0.00 O ATOM 345 CB ARG A 25 9.013 7.039 8.940 1.00 0.00 C ATOM 346 CG ARG A 25 10.476 6.779 9.258 1.00 0.00 C ATOM 347 CD ARG A 25 10.757 6.921 10.746 1.00 0.00 C ATOM 348 NE ARG A 25 10.482 8.272 11.228 1.00 0.00 N ATOM 349 CZ ARG A 25 10.900 8.732 12.402 1.00 0.00 C ATOM 350 NH1 ARG A 25 11.608 7.954 13.209 1.00 0.00 N ATOM 351 NH2 ARG A 25 10.609 9.973 12.771 1.00 0.00 N ATOM 0 H ARG A 25 9.517 4.966 7.641 1.00 0.00 H new ATOM 0 HA ARG A 25 7.995 5.494 10.035 1.00 0.00 H new ATOM 0 HB2 ARG A 25 8.939 7.480 7.946 1.00 0.00 H new ATOM 0 HB3 ARG A 25 8.622 7.773 9.644 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.748 5.776 8.929 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.100 7.477 8.701 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.147 6.207 11.300 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.799 6.671 10.944 1.00 0.00 H new ATOM 0 HE ARG A 25 9.940 8.896 10.631 1.00 0.00 H new ATOM 0 HH11 ARG A 25 11.833 6.999 12.929 1.00 0.00 H new ATOM 0 HH12 ARG A 25 11.928 8.310 14.110 1.00 0.00 H new ATOM 0 HH21 ARG A 25 10.064 10.574 12.153 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.930 10.326 13.673 1.00 0.00 H new ATOM 365 N LEU A 26 5.733 5.495 8.961 1.00 0.00 N ATOM 366 CA LEU A 26 4.374 5.689 8.468 1.00 0.00 C ATOM 367 C LEU A 26 3.805 7.021 8.948 1.00 0.00 C ATOM 368 O LEU A 26 4.023 7.444 10.083 1.00 0.00 O ATOM 369 CB LEU A 26 3.474 4.542 8.929 1.00 0.00 C ATOM 370 CG LEU A 26 3.410 3.326 8.004 1.00 0.00 C ATOM 371 CD1 LEU A 26 2.702 2.169 8.691 1.00 0.00 C ATOM 372 CD2 LEU A 26 2.710 3.683 6.700 1.00 0.00 C ATOM 0 H LEU A 26 5.802 4.889 9.778 1.00 0.00 H new ATOM 0 HA LEU A 26 4.408 5.701 7.379 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.816 4.210 9.909 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.463 4.929 9.058 1.00 0.00 H new ATOM 0 HG LEU A 26 4.429 3.016 7.773 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.666 1.313 8.017 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.245 1.896 9.596 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.687 2.467 8.953 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.674 2.806 6.054 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.695 4.020 6.912 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.259 4.480 6.199 1.00 0.00 H new ATOM 384 N PRO A 27 3.057 7.698 8.064 1.00 0.00 N ATOM 385 CA PRO A 27 2.439 8.990 8.376 1.00 0.00 C ATOM 386 C PRO A 27 1.304 8.861 9.387 1.00 0.00 C ATOM 387 O PRO A 27 1.145 7.821 10.026 1.00 0.00 O ATOM 388 CB PRO A 27 1.899 9.461 7.024 1.00 0.00 C ATOM 389 CG PRO A 27 1.684 8.209 6.245 1.00 0.00 C ATOM 390 CD PRO A 27 2.755 7.254 6.693 1.00 0.00 C ATOM 0 HA PRO A 27 3.148 9.681 8.831 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.970 10.019 7.141 1.00 0.00 H new ATOM 0 HB3 PRO A 27 2.607 10.122 6.524 1.00 0.00 H new ATOM 0 HG2 PRO A 27 0.692 7.798 6.432 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.754 8.399 5.174 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.407 6.221 6.673 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.634 7.306 6.051 1.00 0.00 H new ATOM 398 N ARG A 28 0.519 9.924 9.527 1.00 0.00 N ATOM 399 CA ARG A 28 -0.601 9.929 10.461 1.00 0.00 C ATOM 400 C ARG A 28 -1.930 9.999 9.716 1.00 0.00 C ATOM 401 O ARG A 28 -2.993 9.778 10.297 1.00 0.00 O ATOM 402 CB ARG A 28 -0.482 11.110 11.426 1.00 0.00 C ATOM 403 CG ARG A 28 0.951 11.552 11.674 1.00 0.00 C ATOM 404 CD ARG A 28 1.686 10.577 12.581 1.00 0.00 C ATOM 405 NE ARG A 28 1.188 10.625 13.954 1.00 0.00 N ATOM 406 CZ ARG A 28 1.887 10.209 15.004 1.00 0.00 C ATOM 407 NH1 ARG A 28 3.107 9.718 14.840 1.00 0.00 N ATOM 408 NH2 ARG A 28 1.365 10.285 16.222 1.00 0.00 N ATOM 0 H ARG A 28 0.638 10.793 9.006 1.00 0.00 H new ATOM 0 HA ARG A 28 -0.572 8.999 11.029 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.049 11.952 11.028 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.939 10.838 12.377 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.477 11.633 10.723 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.954 12.544 12.126 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.576 9.565 12.191 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.751 10.807 12.573 1.00 0.00 H new ATOM 0 HE ARG A 28 0.253 10.998 14.115 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.512 9.659 13.906 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.641 9.399 15.648 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.427 10.663 16.352 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.902 9.965 17.028 1.00 0.00 H new ATOM 422 N HIS A 29 -1.864 10.310 8.425 1.00 0.00 N ATOM 423 CA HIS A 29 -3.062 10.410 7.600 1.00 0.00 C ATOM 424 C HIS A 29 -3.426 9.053 7.004 1.00 0.00 C ATOM 425 O HIS A 29 -4.538 8.857 6.512 1.00 0.00 O ATOM 426 CB HIS A 29 -2.853 11.431 6.481 1.00 0.00 C ATOM 427 CG HIS A 29 -1.485 11.383 5.873 1.00 0.00 C ATOM 428 ND1 HIS A 29 -1.185 10.635 4.754 1.00 0.00 N ATOM 429 CD2 HIS A 29 -0.334 11.996 6.234 1.00 0.00 C ATOM 430 CE1 HIS A 29 0.092 10.790 4.454 1.00 0.00 C ATOM 431 NE2 HIS A 29 0.631 11.612 5.337 1.00 0.00 N ATOM 0 H HIS A 29 -0.993 10.497 7.928 1.00 0.00 H new ATOM 0 HA HIS A 29 -3.884 10.741 8.235 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -3.594 11.259 5.701 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -3.031 12.431 6.875 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.200 12.663 7.072 1.00 0.00 H new ATOM 0 HE1 HIS A 29 0.608 10.324 3.627 1.00 0.00 H new ATOM 0 HE2 HIS A 29 1.606 11.912 5.350 1.00 0.00 H new ATOM 440 N LEU A 30 -2.482 8.119 7.051 1.00 0.00 N ATOM 441 CA LEU A 30 -2.703 6.780 6.515 1.00 0.00 C ATOM 442 C LEU A 30 -3.123 5.815 7.619 1.00 0.00 C ATOM 443 O LEU A 30 -3.947 4.927 7.400 1.00 0.00 O ATOM 444 CB LEU A 30 -1.435 6.269 5.829 1.00 0.00 C ATOM 445 CG LEU A 30 -0.983 7.043 4.590 1.00 0.00 C ATOM 446 CD1 LEU A 30 0.350 6.514 4.087 1.00 0.00 C ATOM 447 CD2 LEU A 30 -2.039 6.963 3.497 1.00 0.00 C ATOM 0 H LEU A 30 -1.557 8.264 7.455 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.508 6.836 5.782 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.623 6.280 6.556 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.594 5.229 5.545 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.853 8.090 4.866 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.655 7.077 3.205 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.103 6.625 4.867 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.249 5.460 3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.701 7.519 2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.201 5.920 3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.973 7.392 3.861 1.00 0.00 H new ATOM 459 N ARG A 31 -2.551 5.995 8.805 1.00 0.00 N ATOM 460 CA ARG A 31 -2.866 5.141 9.943 1.00 0.00 C ATOM 461 C ARG A 31 -4.350 4.785 9.961 1.00 0.00 C ATOM 462 O ARG A 31 -4.718 3.629 10.171 1.00 0.00 O ATOM 463 CB ARG A 31 -2.482 5.834 11.251 1.00 0.00 C ATOM 464 CG ARG A 31 -0.987 5.826 11.528 1.00 0.00 C ATOM 465 CD ARG A 31 -0.680 6.293 12.942 1.00 0.00 C ATOM 466 NE ARG A 31 0.756 6.372 13.193 1.00 0.00 N ATOM 467 CZ ARG A 31 1.544 5.308 13.299 1.00 0.00 C ATOM 468 NH1 ARG A 31 1.036 4.089 13.176 1.00 0.00 N ATOM 469 NH2 ARG A 31 2.842 5.461 13.528 1.00 0.00 N ATOM 0 H ARG A 31 -1.867 6.725 9.002 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.290 4.221 9.845 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.832 6.866 11.222 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.999 5.345 12.077 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.594 4.820 11.383 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.480 6.473 10.812 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.131 7.272 13.106 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.136 5.608 13.657 1.00 0.00 H new ATOM 0 HE ARG A 31 1.178 7.295 13.292 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.039 3.967 13.000 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.643 3.273 13.258 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.236 6.397 13.623 1.00 0.00 H new ATOM 0 HH22 ARG A 31 3.445 4.643 13.609 1.00 0.00 H new ATOM 483 N GLN A 32 -5.196 5.785 9.739 1.00 0.00 N ATOM 484 CA GLN A 32 -6.639 5.577 9.731 1.00 0.00 C ATOM 485 C GLN A 32 -7.123 5.171 8.343 1.00 0.00 C ATOM 486 O GLN A 32 -6.578 5.610 7.330 1.00 0.00 O ATOM 487 CB GLN A 32 -7.361 6.848 10.184 1.00 0.00 C ATOM 488 CG GLN A 32 -7.360 7.953 9.140 1.00 0.00 C ATOM 489 CD GLN A 32 -8.079 9.202 9.612 1.00 0.00 C ATOM 490 OE1 GLN A 32 -8.160 9.470 10.811 1.00 0.00 O ATOM 491 NE2 GLN A 32 -8.606 9.974 8.668 1.00 0.00 N ATOM 0 H GLN A 32 -4.907 6.747 9.562 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.868 4.769 10.426 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -8.392 6.600 10.437 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.890 7.219 11.094 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.331 8.205 8.884 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.834 7.588 8.229 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.515 9.713 7.686 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.102 10.828 8.925 1.00 0.00 H new ATOM 500 N THR A 33 -8.150 4.328 8.303 1.00 0.00 N ATOM 501 CA THR A 33 -8.707 3.860 7.040 1.00 0.00 C ATOM 502 C THR A 33 -8.665 4.956 5.981 1.00 0.00 C ATOM 503 O THR A 33 -9.385 5.951 6.075 1.00 0.00 O ATOM 504 CB THR A 33 -10.161 3.381 7.209 1.00 0.00 C ATOM 505 OG1 THR A 33 -10.256 2.489 8.325 1.00 0.00 O ATOM 506 CG2 THR A 33 -10.650 2.681 5.950 1.00 0.00 C ATOM 0 H THR A 33 -8.613 3.955 9.132 1.00 0.00 H new ATOM 0 HA THR A 33 -8.092 3.021 6.716 1.00 0.00 H new ATOM 0 HB THR A 33 -10.790 4.253 7.387 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.184 2.190 8.427 1.00 0.00 H new ATOM 0 HG21 THR A 33 -11.679 2.352 6.093 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.604 3.372 5.108 1.00 0.00 H new ATOM 0 HG23 THR A 33 -10.018 1.817 5.745 1.00 0.00 H new ATOM 514 N TYR A 34 -7.819 4.768 4.975 1.00 0.00 N ATOM 515 CA TYR A 34 -7.682 5.743 3.899 1.00 0.00 C ATOM 516 C TYR A 34 -8.915 5.739 3.001 1.00 0.00 C ATOM 517 O TYR A 34 -9.182 4.763 2.299 1.00 0.00 O ATOM 518 CB TYR A 34 -6.432 5.446 3.069 1.00 0.00 C ATOM 519 CG TYR A 34 -5.887 6.654 2.341 1.00 0.00 C ATOM 520 CD1 TYR A 34 -5.694 7.860 3.004 1.00 0.00 C ATOM 521 CD2 TYR A 34 -5.566 6.590 0.991 1.00 0.00 C ATOM 522 CE1 TYR A 34 -5.197 8.966 2.343 1.00 0.00 C ATOM 523 CE2 TYR A 34 -5.067 7.691 0.323 1.00 0.00 C ATOM 524 CZ TYR A 34 -4.884 8.877 1.003 1.00 0.00 C ATOM 525 OH TYR A 34 -4.389 9.976 0.340 1.00 0.00 O ATOM 0 H TYR A 34 -7.218 3.950 4.882 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.585 6.731 4.349 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -5.657 5.047 3.724 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.665 4.669 2.341 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.937 7.934 4.054 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.709 5.664 0.455 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.054 9.896 2.873 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.821 7.624 -0.727 1.00 0.00 H new ATOM 0 HH TYR A 34 -4.220 9.744 -0.597 1.00 0.00 H new ATOM 535 N ILE A 35 -9.662 6.837 3.028 1.00 0.00 N ATOM 536 CA ILE A 35 -10.866 6.962 2.216 1.00 0.00 C ATOM 537 C ILE A 35 -10.599 7.786 0.960 1.00 0.00 C ATOM 538 O ILE A 35 -10.021 8.871 1.029 1.00 0.00 O ATOM 539 CB ILE A 35 -12.015 7.613 3.008 1.00 0.00 C ATOM 540 CG1 ILE A 35 -12.280 6.834 4.298 1.00 0.00 C ATOM 541 CG2 ILE A 35 -13.273 7.683 2.156 1.00 0.00 C ATOM 542 CD1 ILE A 35 -12.682 5.395 4.062 1.00 0.00 C ATOM 0 H ILE A 35 -9.455 7.653 3.604 1.00 0.00 H new ATOM 0 HA ILE A 35 -11.160 5.952 1.930 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.723 8.629 3.273 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.383 6.856 4.917 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -13.068 7.335 4.861 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -14.076 8.146 2.730 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.076 8.277 1.264 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.570 6.676 1.863 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -12.854 4.904 5.020 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -13.596 5.365 3.469 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.886 4.878 3.527 1.00 0.00 H new ATOM 554 N ARG A 36 -11.024 7.263 -0.185 1.00 0.00 N ATOM 555 CA ARG A 36 -10.832 7.950 -1.457 1.00 0.00 C ATOM 556 C ARG A 36 -12.009 7.699 -2.394 1.00 0.00 C ATOM 557 O ARG A 36 -12.632 6.637 -2.356 1.00 0.00 O ATOM 558 CB ARG A 36 -9.532 7.488 -2.118 1.00 0.00 C ATOM 559 CG ARG A 36 -8.311 8.283 -1.682 1.00 0.00 C ATOM 560 CD ARG A 36 -8.334 9.694 -2.248 1.00 0.00 C ATOM 561 NE ARG A 36 -7.338 10.554 -1.615 1.00 0.00 N ATOM 562 CZ ARG A 36 -7.431 11.878 -1.570 1.00 0.00 C ATOM 563 NH1 ARG A 36 -8.471 12.491 -2.118 1.00 0.00 N ATOM 564 NH2 ARG A 36 -6.483 12.591 -0.976 1.00 0.00 N ATOM 0 H ARG A 36 -11.504 6.366 -0.258 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.771 9.020 -1.258 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.371 6.435 -1.887 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.637 7.564 -3.200 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.274 8.327 -0.594 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.406 7.772 -2.012 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -8.151 9.657 -3.322 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.326 10.124 -2.109 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.526 10.113 -1.183 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.202 11.946 -2.575 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.540 13.508 -2.082 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.682 12.122 -0.553 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.555 13.608 -0.942 1.00 0.00 H new ATOM 578 N LYS A 37 -12.310 8.683 -3.235 1.00 0.00 N ATOM 579 CA LYS A 37 -13.411 8.570 -4.183 1.00 0.00 C ATOM 580 C LYS A 37 -12.938 7.954 -5.496 1.00 0.00 C ATOM 581 O LYS A 37 -11.750 7.988 -5.817 1.00 0.00 O ATOM 582 CB LYS A 37 -14.028 9.945 -4.446 1.00 0.00 C ATOM 583 CG LYS A 37 -14.928 10.433 -3.323 1.00 0.00 C ATOM 584 CD LYS A 37 -15.988 11.394 -3.835 1.00 0.00 C ATOM 585 CE LYS A 37 -15.468 12.822 -3.886 1.00 0.00 C ATOM 586 NZ LYS A 37 -15.563 13.494 -2.560 1.00 0.00 N ATOM 0 H LYS A 37 -11.806 9.569 -3.279 1.00 0.00 H new ATOM 0 HA LYS A 37 -14.167 7.917 -3.747 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -13.228 10.669 -4.600 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -14.604 9.905 -5.370 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.410 9.580 -2.845 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.325 10.927 -2.561 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.309 11.087 -4.830 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -16.865 11.348 -3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.430 12.819 -4.218 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -16.037 13.390 -4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -15.199 14.465 -2.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -16.557 13.520 -2.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -15.000 12.967 -1.863 1.00 0.00 H new ATOM 600 N VAL A 38 -13.876 7.392 -6.253 1.00 0.00 N ATOM 601 CA VAL A 38 -13.555 6.771 -7.532 1.00 0.00 C ATOM 602 C VAL A 38 -13.059 7.806 -8.536 1.00 0.00 C ATOM 603 O VAL A 38 -13.553 8.931 -8.579 1.00 0.00 O ATOM 604 CB VAL A 38 -14.775 6.042 -8.124 1.00 0.00 C ATOM 605 CG1 VAL A 38 -14.463 5.524 -9.520 1.00 0.00 C ATOM 606 CG2 VAL A 38 -15.212 4.906 -7.210 1.00 0.00 C ATOM 0 H VAL A 38 -14.864 7.354 -6.002 1.00 0.00 H new ATOM 0 HA VAL A 38 -12.765 6.045 -7.342 1.00 0.00 H new ATOM 0 HB VAL A 38 -15.598 6.752 -8.202 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -15.337 5.012 -9.922 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -14.202 6.360 -10.169 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -13.625 4.828 -9.471 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.075 4.402 -7.644 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -14.394 4.194 -7.098 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -15.480 5.308 -6.233 1.00 0.00 H new ATOM 616 N GLY A 39 -12.078 7.415 -9.344 1.00 0.00 N ATOM 617 CA GLY A 39 -11.531 8.320 -10.338 1.00 0.00 C ATOM 618 C GLY A 39 -10.412 9.181 -9.786 1.00 0.00 C ATOM 619 O GLY A 39 -9.369 9.335 -10.420 1.00 0.00 O ATOM 0 H GLY A 39 -11.653 6.488 -9.328 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -11.157 7.743 -11.184 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.326 8.962 -10.717 1.00 0.00 H new ATOM 623 N GLU A 40 -10.629 9.743 -8.601 1.00 0.00 N ATOM 624 CA GLU A 40 -9.631 10.594 -7.965 1.00 0.00 C ATOM 625 C GLU A 40 -8.286 9.878 -7.870 1.00 0.00 C ATOM 626 O GLU A 40 -8.218 8.716 -7.469 1.00 0.00 O ATOM 627 CB GLU A 40 -10.098 11.012 -6.569 1.00 0.00 C ATOM 628 CG GLU A 40 -11.325 11.909 -6.581 1.00 0.00 C ATOM 629 CD GLU A 40 -11.415 12.791 -5.351 1.00 0.00 C ATOM 630 OE1 GLU A 40 -11.067 12.314 -4.251 1.00 0.00 O ATOM 631 OE2 GLU A 40 -11.833 13.960 -5.490 1.00 0.00 O ATOM 0 H GLU A 40 -11.487 9.624 -8.062 1.00 0.00 H new ATOM 0 HA GLU A 40 -9.507 11.485 -8.580 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.318 10.118 -5.986 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.284 11.531 -6.063 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.303 12.536 -7.472 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.221 11.292 -6.647 1.00 0.00 H new ATOM 638 N GLN A 41 -7.221 10.580 -8.242 1.00 0.00 N ATOM 639 CA GLN A 41 -5.879 10.011 -8.200 1.00 0.00 C ATOM 640 C GLN A 41 -5.484 9.654 -6.771 1.00 0.00 C ATOM 641 O GLN A 41 -6.093 10.126 -5.810 1.00 0.00 O ATOM 642 CB GLN A 41 -4.867 10.994 -8.790 1.00 0.00 C ATOM 643 CG GLN A 41 -5.049 11.232 -10.281 1.00 0.00 C ATOM 644 CD GLN A 41 -6.142 12.239 -10.582 1.00 0.00 C ATOM 645 OE1 GLN A 41 -7.324 11.896 -10.622 1.00 0.00 O ATOM 646 NE2 GLN A 41 -5.752 13.491 -10.795 1.00 0.00 N ATOM 0 H GLN A 41 -7.261 11.543 -8.576 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.880 9.099 -8.797 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -4.949 11.946 -8.266 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -3.860 10.617 -8.611 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.109 11.584 -10.706 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -5.286 10.287 -10.770 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.762 13.731 -10.752 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.443 14.212 -11.001 1.00 0.00 H new ATOM 655 N LEU A 42 -4.462 8.816 -6.637 1.00 0.00 N ATOM 656 CA LEU A 42 -3.985 8.394 -5.324 1.00 0.00 C ATOM 657 C LEU A 42 -2.557 8.874 -5.084 1.00 0.00 C ATOM 658 O LEU A 42 -1.747 8.932 -6.007 1.00 0.00 O ATOM 659 CB LEU A 42 -4.050 6.871 -5.202 1.00 0.00 C ATOM 660 CG LEU A 42 -5.397 6.290 -4.770 1.00 0.00 C ATOM 661 CD1 LEU A 42 -5.478 4.812 -5.121 1.00 0.00 C ATOM 662 CD2 LEU A 42 -5.615 6.498 -3.278 1.00 0.00 C ATOM 0 H LEU A 42 -3.947 8.415 -7.421 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.631 8.841 -4.568 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.782 6.437 -6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.292 6.551 -4.487 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.186 6.815 -5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.443 4.416 -4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -5.368 4.687 -6.198 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.680 4.273 -4.610 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.579 6.078 -2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.821 6.000 -2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.602 7.565 -3.054 1.00 0.00 H new ATOM 674 N ASN A 43 -2.256 9.216 -3.835 1.00 0.00 N ATOM 675 CA ASN A 43 -0.925 9.690 -3.472 1.00 0.00 C ATOM 676 C ASN A 43 -0.576 9.289 -2.042 1.00 0.00 C ATOM 677 O ASN A 43 -1.131 9.825 -1.082 1.00 0.00 O ATOM 678 CB ASN A 43 -0.844 11.210 -3.621 1.00 0.00 C ATOM 679 CG ASN A 43 0.577 11.727 -3.510 1.00 0.00 C ATOM 680 OD1 ASN A 43 1.261 11.486 -2.515 1.00 0.00 O ATOM 681 ND2 ASN A 43 1.029 12.442 -4.535 1.00 0.00 N ATOM 0 H ASN A 43 -2.915 9.174 -3.058 1.00 0.00 H new ATOM 0 HA ASN A 43 -0.205 9.227 -4.147 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -1.259 11.500 -4.586 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.460 11.681 -2.855 1.00 0.00 H new ATOM 0 HD21 ASN A 43 1.978 12.816 -4.517 1.00 0.00 H new ATOM 0 HD22 ASN A 43 0.427 12.617 -5.340 1.00 0.00 H new ATOM 688 N LEU A 44 0.346 8.342 -1.907 1.00 0.00 N ATOM 689 CA LEU A 44 0.770 7.869 -0.594 1.00 0.00 C ATOM 690 C LEU A 44 2.254 8.141 -0.371 1.00 0.00 C ATOM 691 O LEU A 44 3.113 7.463 -0.934 1.00 0.00 O ATOM 692 CB LEU A 44 0.489 6.372 -0.455 1.00 0.00 C ATOM 693 CG LEU A 44 -0.874 5.896 -0.958 1.00 0.00 C ATOM 694 CD1 LEU A 44 -0.921 4.377 -1.018 1.00 0.00 C ATOM 695 CD2 LEU A 44 -1.988 6.431 -0.070 1.00 0.00 C ATOM 0 H LEU A 44 0.814 7.887 -2.691 1.00 0.00 H new ATOM 0 HA LEU A 44 0.202 8.412 0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 44 1.264 5.826 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.581 6.102 0.597 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.022 6.284 -1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.899 4.057 -1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.148 4.016 -1.697 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.750 3.968 -0.022 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.951 6.082 -0.444 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.843 6.074 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.969 7.521 -0.079 1.00 0.00 H new ATOM 707 N VAL A 45 2.549 9.138 0.458 1.00 0.00 N ATOM 708 CA VAL A 45 3.930 9.499 0.759 1.00 0.00 C ATOM 709 C VAL A 45 4.385 8.877 2.075 1.00 0.00 C ATOM 710 O VAL A 45 4.213 9.463 3.143 1.00 0.00 O ATOM 711 CB VAL A 45 4.106 11.027 0.838 1.00 0.00 C ATOM 712 CG1 VAL A 45 5.533 11.380 1.228 1.00 0.00 C ATOM 713 CG2 VAL A 45 3.731 11.675 -0.486 1.00 0.00 C ATOM 0 H VAL A 45 1.851 9.710 0.933 1.00 0.00 H new ATOM 0 HA VAL A 45 4.544 9.112 -0.054 1.00 0.00 H new ATOM 0 HB VAL A 45 3.438 11.413 1.608 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.639 12.464 1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.762 10.947 2.202 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.223 10.983 0.483 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.861 12.755 -0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.372 11.285 -1.276 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.690 11.450 -0.719 1.00 0.00 H new ATOM 723 N VAL A 46 4.969 7.686 1.989 1.00 0.00 N ATOM 724 CA VAL A 46 5.452 6.984 3.173 1.00 0.00 C ATOM 725 C VAL A 46 6.975 6.982 3.227 1.00 0.00 C ATOM 726 O VAL A 46 7.644 6.212 2.538 1.00 0.00 O ATOM 727 CB VAL A 46 4.945 5.530 3.209 1.00 0.00 C ATOM 728 CG1 VAL A 46 5.285 4.879 4.540 1.00 0.00 C ATOM 729 CG2 VAL A 46 3.447 5.482 2.949 1.00 0.00 C ATOM 0 H VAL A 46 5.119 7.187 1.112 1.00 0.00 H new ATOM 0 HA VAL A 46 5.062 7.518 4.039 1.00 0.00 H new ATOM 0 HB VAL A 46 5.445 4.969 2.420 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.919 3.852 4.547 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.366 4.880 4.680 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.814 5.437 5.349 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.106 4.447 2.978 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.926 6.058 3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 46 3.234 5.907 1.968 1.00 0.00 H new ATOM 739 N PRO A 47 7.539 7.864 4.065 1.00 0.00 N ATOM 740 CA PRO A 47 8.991 7.983 4.231 1.00 0.00 C ATOM 741 C PRO A 47 9.594 6.775 4.939 1.00 0.00 C ATOM 742 O PRO A 47 8.913 6.082 5.696 1.00 0.00 O ATOM 743 CB PRO A 47 9.148 9.240 5.090 1.00 0.00 C ATOM 744 CG PRO A 47 7.864 9.352 5.836 1.00 0.00 C ATOM 745 CD PRO A 47 6.803 8.813 4.917 1.00 0.00 C ATOM 0 HA PRO A 47 9.508 8.038 3.273 1.00 0.00 H new ATOM 0 HB2 PRO A 47 9.995 9.151 5.771 1.00 0.00 H new ATOM 0 HB3 PRO A 47 9.326 10.121 4.473 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.901 8.783 6.765 1.00 0.00 H new ATOM 0 HG3 PRO A 47 7.658 10.388 6.105 1.00 0.00 H new ATOM 0 HD2 PRO A 47 6.004 8.320 5.471 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.340 9.606 4.329 1.00 0.00 H new ATOM 753 N PHE A 48 10.876 6.527 4.689 1.00 0.00 N ATOM 754 CA PHE A 48 11.571 5.402 5.303 1.00 0.00 C ATOM 755 C PHE A 48 13.063 5.692 5.437 1.00 0.00 C ATOM 756 O PHE A 48 13.598 6.569 4.760 1.00 0.00 O ATOM 757 CB PHE A 48 11.359 4.131 4.477 1.00 0.00 C ATOM 758 CG PHE A 48 11.939 4.212 3.094 1.00 0.00 C ATOM 759 CD1 PHE A 48 13.311 4.196 2.902 1.00 0.00 C ATOM 760 CD2 PHE A 48 11.112 4.304 1.986 1.00 0.00 C ATOM 761 CE1 PHE A 48 13.847 4.271 1.630 1.00 0.00 C ATOM 762 CE2 PHE A 48 11.642 4.379 0.712 1.00 0.00 C ATOM 763 CZ PHE A 48 13.012 4.361 0.534 1.00 0.00 C ATOM 0 H PHE A 48 11.454 7.090 4.065 1.00 0.00 H new ATOM 0 HA PHE A 48 11.157 5.252 6.300 1.00 0.00 H new ATOM 0 HB2 PHE A 48 11.807 3.287 5.002 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.290 3.929 4.403 1.00 0.00 H new ATOM 0 HD1 PHE A 48 13.969 4.124 3.755 1.00 0.00 H new ATOM 0 HD2 PHE A 48 10.040 4.317 2.120 1.00 0.00 H new ATOM 0 HE1 PHE A 48 14.918 4.259 1.494 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.986 4.452 -0.143 1.00 0.00 H new ATOM 0 HZ PHE A 48 13.429 4.417 -0.461 1.00 0.00 H new ATOM 773 N GLN A 49 13.728 4.948 6.316 1.00 0.00 N ATOM 774 CA GLN A 49 15.157 5.126 6.539 1.00 0.00 C ATOM 775 C GLN A 49 15.915 3.830 6.275 1.00 0.00 C ATOM 776 O GLN A 49 15.317 2.761 6.161 1.00 0.00 O ATOM 777 CB GLN A 49 15.416 5.599 7.971 1.00 0.00 C ATOM 778 CG GLN A 49 14.603 6.821 8.364 1.00 0.00 C ATOM 779 CD GLN A 49 15.257 7.627 9.469 1.00 0.00 C ATOM 780 OE1 GLN A 49 15.782 7.069 10.433 1.00 0.00 O ATOM 781 NE2 GLN A 49 15.231 8.948 9.334 1.00 0.00 N ATOM 0 H GLN A 49 13.300 4.217 6.884 1.00 0.00 H new ATOM 0 HA GLN A 49 15.516 5.884 5.842 1.00 0.00 H new ATOM 0 HB2 GLN A 49 15.190 4.785 8.660 1.00 0.00 H new ATOM 0 HB3 GLN A 49 16.476 5.827 8.084 1.00 0.00 H new ATOM 0 HG2 GLN A 49 14.464 7.457 7.490 1.00 0.00 H new ATOM 0 HG3 GLN A 49 13.612 6.504 8.689 1.00 0.00 H new ATOM 0 HE21 GLN A 49 14.785 9.369 8.519 1.00 0.00 H new ATOM 0 HE22 GLN A 49 15.657 9.542 10.046 1.00 0.00 H new ATOM 790 N GLY A 50 17.237 3.932 6.177 1.00 0.00 N ATOM 791 CA GLY A 50 18.056 2.760 5.925 1.00 0.00 C ATOM 792 C GLY A 50 19.187 3.040 4.956 1.00 0.00 C ATOM 793 O GLY A 50 19.084 3.927 4.108 1.00 0.00 O ATOM 0 H GLY A 50 17.756 4.806 6.268 1.00 0.00 H new ATOM 0 HA2 GLY A 50 18.470 2.400 6.867 1.00 0.00 H new ATOM 0 HA3 GLY A 50 17.430 1.962 5.527 1.00 0.00 H new ATOM 797 N LYS A 51 20.272 2.284 5.082 1.00 0.00 N ATOM 798 CA LYS A 51 21.430 2.454 4.212 1.00 0.00 C ATOM 799 C LYS A 51 22.159 1.130 4.011 1.00 0.00 C ATOM 800 O LYS A 51 22.009 0.186 4.788 1.00 0.00 O ATOM 801 CB LYS A 51 22.388 3.492 4.800 1.00 0.00 C ATOM 802 CG LYS A 51 22.105 4.911 4.337 1.00 0.00 C ATOM 803 CD LYS A 51 22.492 5.930 5.397 1.00 0.00 C ATOM 804 CE LYS A 51 22.902 7.255 4.772 1.00 0.00 C ATOM 805 NZ LYS A 51 23.195 8.287 5.804 1.00 0.00 N ATOM 0 H LYS A 51 20.374 1.546 5.779 1.00 0.00 H new ATOM 0 HA LYS A 51 21.076 2.804 3.242 1.00 0.00 H new ATOM 0 HB2 LYS A 51 22.328 3.455 5.888 1.00 0.00 H new ATOM 0 HB3 LYS A 51 23.410 3.227 4.528 1.00 0.00 H new ATOM 0 HG2 LYS A 51 22.657 5.112 3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 51 21.046 5.014 4.101 1.00 0.00 H new ATOM 0 HD2 LYS A 51 21.652 6.090 6.074 1.00 0.00 H new ATOM 0 HD3 LYS A 51 23.314 5.539 5.996 1.00 0.00 H new ATOM 0 HE2 LYS A 51 23.783 7.105 4.148 1.00 0.00 H new ATOM 0 HE3 LYS A 51 22.105 7.611 4.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 23.471 9.175 5.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 22.347 8.449 6.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 23.973 7.959 6.412 1.00 0.00 H new ATOM 819 N PRO A 52 22.970 1.055 2.945 1.00 0.00 N ATOM 820 CA PRO A 52 23.156 2.171 2.013 1.00 0.00 C ATOM 821 C PRO A 52 21.913 2.438 1.171 1.00 0.00 C ATOM 822 O PRO A 52 21.459 3.576 1.061 1.00 0.00 O ATOM 823 CB PRO A 52 24.312 1.703 1.125 1.00 0.00 C ATOM 824 CG PRO A 52 24.259 0.215 1.188 1.00 0.00 C ATOM 825 CD PRO A 52 23.767 -0.124 2.567 1.00 0.00 C ATOM 0 HA PRO A 52 23.352 3.108 2.534 1.00 0.00 H new ATOM 0 HB2 PRO A 52 24.195 2.060 0.102 1.00 0.00 H new ATOM 0 HB3 PRO A 52 25.268 2.081 1.488 1.00 0.00 H new ATOM 0 HG2 PRO A 52 23.590 -0.184 0.426 1.00 0.00 H new ATOM 0 HG3 PRO A 52 25.243 -0.218 1.007 1.00 0.00 H new ATOM 0 HD2 PRO A 52 23.165 -1.033 2.567 1.00 0.00 H new ATOM 0 HD3 PRO A 52 24.593 -0.289 3.259 1.00 0.00 H new ATOM 833 N ARG A 53 21.367 1.380 0.579 1.00 0.00 N ATOM 834 CA ARG A 53 20.176 1.501 -0.253 1.00 0.00 C ATOM 835 C ARG A 53 19.142 0.443 0.121 1.00 0.00 C ATOM 836 O ARG A 53 19.191 -0.698 -0.340 1.00 0.00 O ATOM 837 CB ARG A 53 20.546 1.368 -1.732 1.00 0.00 C ATOM 838 CG ARG A 53 19.357 1.491 -2.670 1.00 0.00 C ATOM 839 CD ARG A 53 19.802 1.729 -4.105 1.00 0.00 C ATOM 840 NE ARG A 53 20.617 0.630 -4.615 1.00 0.00 N ATOM 841 CZ ARG A 53 21.943 0.609 -4.554 1.00 0.00 C ATOM 842 NH1 ARG A 53 22.601 1.622 -4.007 1.00 0.00 N ATOM 843 NH2 ARG A 53 22.615 -0.427 -5.040 1.00 0.00 N ATOM 0 H ARG A 53 21.730 0.430 0.660 1.00 0.00 H new ATOM 0 HA ARG A 53 19.741 2.486 -0.081 1.00 0.00 H new ATOM 0 HB2 ARG A 53 21.279 2.135 -1.985 1.00 0.00 H new ATOM 0 HB3 ARG A 53 21.026 0.403 -1.892 1.00 0.00 H new ATOM 0 HG2 ARG A 53 18.757 0.582 -2.620 1.00 0.00 H new ATOM 0 HG3 ARG A 53 18.719 2.313 -2.345 1.00 0.00 H new ATOM 0 HD2 ARG A 53 18.925 1.855 -4.740 1.00 0.00 H new ATOM 0 HD3 ARG A 53 20.371 2.657 -4.159 1.00 0.00 H new ATOM 0 HE ARG A 53 20.141 -0.165 -5.042 1.00 0.00 H new ATOM 0 HH11 ARG A 53 22.088 2.420 -3.632 1.00 0.00 H new ATOM 0 HH12 ARG A 53 23.620 1.603 -3.961 1.00 0.00 H new ATOM 0 HH21 ARG A 53 22.113 -1.209 -5.461 1.00 0.00 H new ATOM 0 HH22 ARG A 53 23.634 -0.442 -4.992 1.00 0.00 H new ATOM 857 N PRO A 54 18.184 0.828 0.976 1.00 0.00 N ATOM 858 CA PRO A 54 17.120 -0.072 1.431 1.00 0.00 C ATOM 859 C PRO A 54 16.131 -0.408 0.320 1.00 0.00 C ATOM 860 O PRO A 54 15.522 0.483 -0.271 1.00 0.00 O ATOM 861 CB PRO A 54 16.429 0.726 2.539 1.00 0.00 C ATOM 862 CG PRO A 54 16.704 2.152 2.206 1.00 0.00 C ATOM 863 CD PRO A 54 18.064 2.173 1.564 1.00 0.00 C ATOM 0 HA PRO A 54 17.513 -1.033 1.762 1.00 0.00 H new ATOM 0 HB2 PRO A 54 15.358 0.524 2.563 1.00 0.00 H new ATOM 0 HB3 PRO A 54 16.825 0.465 3.521 1.00 0.00 H new ATOM 0 HG2 PRO A 54 15.947 2.548 1.529 1.00 0.00 H new ATOM 0 HG3 PRO A 54 16.686 2.772 3.102 1.00 0.00 H new ATOM 0 HD2 PRO A 54 18.138 2.952 0.805 1.00 0.00 H new ATOM 0 HD3 PRO A 54 18.850 2.364 2.294 1.00 0.00 H new ATOM 871 N GLN A 55 15.976 -1.699 0.042 1.00 0.00 N ATOM 872 CA GLN A 55 15.060 -2.151 -0.999 1.00 0.00 C ATOM 873 C GLN A 55 13.617 -1.807 -0.641 1.00 0.00 C ATOM 874 O GLN A 55 13.267 -1.701 0.534 1.00 0.00 O ATOM 875 CB GLN A 55 15.200 -3.659 -1.210 1.00 0.00 C ATOM 876 CG GLN A 55 14.791 -4.119 -2.601 1.00 0.00 C ATOM 877 CD GLN A 55 15.299 -5.509 -2.928 1.00 0.00 C ATOM 878 OE1 GLN A 55 15.745 -6.244 -2.046 1.00 0.00 O ATOM 879 NE2 GLN A 55 15.233 -5.879 -4.202 1.00 0.00 N ATOM 0 H GLN A 55 16.472 -2.449 0.523 1.00 0.00 H new ATOM 0 HA GLN A 55 15.318 -1.636 -1.924 1.00 0.00 H new ATOM 0 HB2 GLN A 55 16.236 -3.948 -1.031 1.00 0.00 H new ATOM 0 HB3 GLN A 55 14.591 -4.179 -0.471 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.704 -4.106 -2.679 1.00 0.00 H new ATOM 0 HG3 GLN A 55 15.172 -3.414 -3.340 1.00 0.00 H new ATOM 0 HE21 GLN A 55 14.856 -5.238 -4.900 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.559 -6.804 -4.482 1.00 0.00 H new ATOM 888 N VAL A 56 12.785 -1.634 -1.663 1.00 0.00 N ATOM 889 CA VAL A 56 11.380 -1.304 -1.456 1.00 0.00 C ATOM 890 C VAL A 56 10.473 -2.233 -2.256 1.00 0.00 C ATOM 891 O VAL A 56 10.633 -2.382 -3.468 1.00 0.00 O ATOM 892 CB VAL A 56 11.082 0.154 -1.855 1.00 0.00 C ATOM 893 CG1 VAL A 56 9.592 0.442 -1.754 1.00 0.00 C ATOM 894 CG2 VAL A 56 11.879 1.117 -0.987 1.00 0.00 C ATOM 0 H VAL A 56 13.059 -1.717 -2.642 1.00 0.00 H new ATOM 0 HA VAL A 56 11.178 -1.431 -0.392 1.00 0.00 H new ATOM 0 HB VAL A 56 11.386 0.298 -2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 56 9.401 1.476 -2.040 1.00 0.00 H new ATOM 0 HG12 VAL A 56 9.046 -0.225 -2.421 1.00 0.00 H new ATOM 0 HG13 VAL A 56 9.259 0.281 -0.729 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.657 2.142 -1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 56 11.608 0.974 0.059 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.944 0.926 -1.115 1.00 0.00 H new ATOM 904 N VAL A 57 9.520 -2.855 -1.570 1.00 0.00 N ATOM 905 CA VAL A 57 8.586 -3.769 -2.216 1.00 0.00 C ATOM 906 C VAL A 57 7.143 -3.342 -1.974 1.00 0.00 C ATOM 907 O VAL A 57 6.793 -2.892 -0.883 1.00 0.00 O ATOM 908 CB VAL A 57 8.774 -5.213 -1.712 1.00 0.00 C ATOM 909 CG1 VAL A 57 7.770 -6.144 -2.374 1.00 0.00 C ATOM 910 CG2 VAL A 57 10.198 -5.684 -1.965 1.00 0.00 C ATOM 0 H VAL A 57 9.374 -2.743 -0.567 1.00 0.00 H new ATOM 0 HA VAL A 57 8.798 -3.735 -3.285 1.00 0.00 H new ATOM 0 HB VAL A 57 8.596 -5.231 -0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 57 7.918 -7.159 -2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.758 -5.816 -2.137 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.914 -6.125 -3.454 1.00 0.00 H new ATOM 0 HG21 VAL A 57 10.313 -6.706 -1.603 1.00 0.00 H new ATOM 0 HG22 VAL A 57 10.407 -5.652 -3.034 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.896 -5.032 -1.439 1.00 0.00 H new ATOM 920 N TRP A 58 6.310 -3.485 -2.998 1.00 0.00 N ATOM 921 CA TRP A 58 4.903 -3.114 -2.897 1.00 0.00 C ATOM 922 C TRP A 58 4.003 -4.264 -3.336 1.00 0.00 C ATOM 923 O TRP A 58 4.063 -4.710 -4.483 1.00 0.00 O ATOM 924 CB TRP A 58 4.619 -1.875 -3.747 1.00 0.00 C ATOM 925 CG TRP A 58 4.866 -0.587 -3.021 1.00 0.00 C ATOM 926 CD1 TRP A 58 5.807 0.356 -3.322 1.00 0.00 C ATOM 927 CD2 TRP A 58 4.163 -0.103 -1.871 1.00 0.00 C ATOM 928 NE1 TRP A 58 5.731 1.397 -2.429 1.00 0.00 N ATOM 929 CE2 TRP A 58 4.730 1.141 -1.530 1.00 0.00 C ATOM 930 CE3 TRP A 58 3.109 -0.597 -1.099 1.00 0.00 C ATOM 931 CZ2 TRP A 58 4.278 1.893 -0.449 1.00 0.00 C ATOM 932 CZ3 TRP A 58 2.662 0.151 -0.026 1.00 0.00 C ATOM 933 CH2 TRP A 58 3.245 1.385 0.290 1.00 0.00 C ATOM 0 H TRP A 58 6.584 -3.855 -3.908 1.00 0.00 H new ATOM 0 HA TRP A 58 4.687 -2.887 -1.853 1.00 0.00 H new ATOM 0 HB2 TRP A 58 5.243 -1.905 -4.640 1.00 0.00 H new ATOM 0 HB3 TRP A 58 3.582 -1.902 -4.081 1.00 0.00 H new ATOM 0 HD1 TRP A 58 6.508 0.293 -4.141 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.324 2.227 -2.435 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.652 -1.546 -1.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.727 2.844 -0.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.849 -0.222 0.579 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.872 1.946 1.134 1.00 0.00 H new ATOM 944 N THR A 59 3.170 -4.743 -2.418 1.00 0.00 N ATOM 945 CA THR A 59 2.259 -5.842 -2.710 1.00 0.00 C ATOM 946 C THR A 59 0.941 -5.678 -1.961 1.00 0.00 C ATOM 947 O THR A 59 0.927 -5.365 -0.770 1.00 0.00 O ATOM 948 CB THR A 59 2.881 -7.201 -2.341 1.00 0.00 C ATOM 949 OG1 THR A 59 3.385 -7.162 -1.001 1.00 0.00 O ATOM 950 CG2 THR A 59 4.006 -7.560 -3.300 1.00 0.00 C ATOM 0 H THR A 59 3.108 -4.386 -1.464 1.00 0.00 H new ATOM 0 HA THR A 59 2.069 -5.818 -3.783 1.00 0.00 H new ATOM 0 HB THR A 59 2.105 -7.962 -2.415 1.00 0.00 H new ATOM 0 HG1 THR A 59 3.777 -8.031 -0.774 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.430 -8.524 -3.019 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.614 -7.618 -4.315 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.781 -6.795 -3.254 1.00 0.00 H new ATOM 958 N LYS A 60 -0.165 -5.894 -2.664 1.00 0.00 N ATOM 959 CA LYS A 60 -1.489 -5.772 -2.065 1.00 0.00 C ATOM 960 C LYS A 60 -2.121 -7.145 -1.860 1.00 0.00 C ATOM 961 O LYS A 60 -2.954 -7.580 -2.654 1.00 0.00 O ATOM 962 CB LYS A 60 -2.393 -4.909 -2.947 1.00 0.00 C ATOM 963 CG LYS A 60 -2.344 -5.283 -4.419 1.00 0.00 C ATOM 964 CD LYS A 60 -3.268 -4.407 -5.248 1.00 0.00 C ATOM 965 CE LYS A 60 -4.661 -4.336 -4.641 1.00 0.00 C ATOM 966 NZ LYS A 60 -5.702 -4.068 -5.673 1.00 0.00 N ATOM 0 H LYS A 60 -0.171 -6.155 -3.650 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.378 -5.293 -1.092 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.420 -4.994 -2.593 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -2.104 -3.864 -2.837 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -1.322 -5.186 -4.786 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -2.628 -6.329 -4.539 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.850 -3.403 -5.321 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.331 -4.801 -6.262 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.885 -5.275 -4.134 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.688 -3.551 -3.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.252 -3.228 -5.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.245 -3.900 -6.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -6.337 -4.888 -5.747 1.00 0.00 H new ATOM 980 N GLY A 61 -1.720 -7.823 -0.789 1.00 0.00 N ATOM 981 CA GLY A 61 -2.259 -9.139 -0.499 1.00 0.00 C ATOM 982 C GLY A 61 -1.480 -10.247 -1.180 1.00 0.00 C ATOM 983 O GLY A 61 -2.059 -11.101 -1.850 1.00 0.00 O ATOM 0 H GLY A 61 -1.031 -7.484 -0.117 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.251 -9.302 0.579 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.300 -9.181 -0.820 1.00 0.00 H new ATOM 987 N GLY A 62 -0.162 -10.233 -1.009 1.00 0.00 N ATOM 988 CA GLY A 62 0.676 -11.249 -1.620 1.00 0.00 C ATOM 989 C GLY A 62 0.478 -11.338 -3.120 1.00 0.00 C ATOM 990 O GLY A 62 0.040 -12.367 -3.635 1.00 0.00 O ATOM 0 H GLY A 62 0.341 -9.537 -0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 62 1.722 -11.029 -1.407 1.00 0.00 H new ATOM 0 HA3 GLY A 62 0.456 -12.217 -1.169 1.00 0.00 H new ATOM 994 N ALA A 63 0.799 -10.258 -3.824 1.00 0.00 N ATOM 995 CA ALA A 63 0.654 -10.219 -5.274 1.00 0.00 C ATOM 996 C ALA A 63 1.262 -8.946 -5.852 1.00 0.00 C ATOM 997 O ALA A 63 1.221 -7.877 -5.242 1.00 0.00 O ATOM 998 CB ALA A 63 -0.813 -10.329 -5.661 1.00 0.00 C ATOM 0 H ALA A 63 1.162 -9.398 -3.413 1.00 0.00 H new ATOM 0 HA ALA A 63 1.193 -11.070 -5.691 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -0.906 -10.298 -6.747 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.218 -11.270 -5.288 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.367 -9.498 -5.226 1.00 0.00 H new ATOM 1004 N PRO A 64 1.840 -9.059 -7.058 1.00 0.00 N ATOM 1005 CA PRO A 64 2.467 -7.926 -7.745 1.00 0.00 C ATOM 1006 C PRO A 64 1.445 -6.900 -8.223 1.00 0.00 C ATOM 1007 O PRO A 64 0.241 -7.072 -8.030 1.00 0.00 O ATOM 1008 CB PRO A 64 3.167 -8.580 -8.939 1.00 0.00 C ATOM 1009 CG PRO A 64 2.401 -9.832 -9.189 1.00 0.00 C ATOM 1010 CD PRO A 64 1.924 -10.302 -7.843 1.00 0.00 C ATOM 0 HA PRO A 64 3.139 -7.373 -7.089 1.00 0.00 H new ATOM 0 HB2 PRO A 64 3.154 -7.927 -9.812 1.00 0.00 H new ATOM 0 HB3 PRO A 64 4.212 -8.793 -8.716 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.561 -9.648 -9.858 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.029 -10.585 -9.665 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.957 -10.801 -7.911 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.619 -11.013 -7.396 1.00 0.00 H new ATOM 1018 N LEU A 65 1.932 -5.834 -8.847 1.00 0.00 N ATOM 1019 CA LEU A 65 1.061 -4.779 -9.354 1.00 0.00 C ATOM 1020 C LEU A 65 1.226 -4.614 -10.861 1.00 0.00 C ATOM 1021 O LEU A 65 2.051 -5.284 -11.483 1.00 0.00 O ATOM 1022 CB LEU A 65 1.364 -3.457 -8.647 1.00 0.00 C ATOM 1023 CG LEU A 65 1.408 -3.507 -7.120 1.00 0.00 C ATOM 1024 CD1 LEU A 65 2.327 -2.423 -6.577 1.00 0.00 C ATOM 1025 CD2 LEU A 65 0.009 -3.362 -6.540 1.00 0.00 C ATOM 0 H LEU A 65 2.926 -5.677 -9.014 1.00 0.00 H new ATOM 0 HA LEU A 65 0.029 -5.064 -9.150 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.325 -3.088 -9.006 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.611 -2.728 -8.945 1.00 0.00 H new ATOM 0 HG LEU A 65 1.805 -4.476 -6.819 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.346 -2.474 -5.488 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.335 -2.572 -6.965 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.960 -1.445 -6.888 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.061 -3.400 -5.452 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.416 -2.407 -6.850 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.621 -4.175 -6.902 1.00 0.00 H new ATOM 1037 N ASP A 66 0.438 -3.716 -11.442 1.00 0.00 N ATOM 1038 CA ASP A 66 0.499 -3.459 -12.876 1.00 0.00 C ATOM 1039 C ASP A 66 1.039 -2.059 -13.155 1.00 0.00 C ATOM 1040 O ASP A 66 0.273 -1.115 -13.352 1.00 0.00 O ATOM 1041 CB ASP A 66 -0.886 -3.620 -13.504 1.00 0.00 C ATOM 1042 CG ASP A 66 -1.986 -3.045 -12.634 1.00 0.00 C ATOM 1043 OD1 ASP A 66 -1.725 -2.050 -11.927 1.00 0.00 O ATOM 1044 OD2 ASP A 66 -3.109 -3.592 -12.658 1.00 0.00 O ATOM 0 H ASP A 66 -0.251 -3.154 -10.942 1.00 0.00 H new ATOM 0 HA ASP A 66 1.178 -4.186 -13.322 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.901 -3.127 -14.476 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -1.081 -4.678 -13.680 1.00 0.00 H new ATOM 1049 N THR A 67 2.362 -1.932 -13.169 1.00 0.00 N ATOM 1050 CA THR A 67 3.004 -0.649 -13.421 1.00 0.00 C ATOM 1051 C THR A 67 2.415 0.028 -14.654 1.00 0.00 C ATOM 1052 O THR A 67 2.334 1.255 -14.721 1.00 0.00 O ATOM 1053 CB THR A 67 4.524 -0.809 -13.615 1.00 0.00 C ATOM 1054 OG1 THR A 67 4.788 -1.770 -14.643 1.00 0.00 O ATOM 1055 CG2 THR A 67 5.191 -1.248 -12.320 1.00 0.00 C ATOM 0 H THR A 67 3.010 -2.703 -13.009 1.00 0.00 H new ATOM 0 HA THR A 67 2.820 -0.027 -12.545 1.00 0.00 H new ATOM 0 HB THR A 67 4.935 0.157 -13.908 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.756 -1.865 -14.761 1.00 0.00 H new ATOM 0 HG21 THR A 67 6.264 -1.354 -12.481 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.013 -0.500 -11.547 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.775 -2.204 -12.003 1.00 0.00 H new ATOM 1063 N SER A 68 2.003 -0.779 -15.626 1.00 0.00 N ATOM 1064 CA SER A 68 1.423 -0.257 -16.859 1.00 0.00 C ATOM 1065 C SER A 68 0.472 0.899 -16.565 1.00 0.00 C ATOM 1066 O SER A 68 0.582 1.973 -17.155 1.00 0.00 O ATOM 1067 CB SER A 68 0.681 -1.365 -17.607 1.00 0.00 C ATOM 1068 OG SER A 68 1.590 -2.271 -18.209 1.00 0.00 O ATOM 0 H SER A 68 2.060 -1.797 -15.584 1.00 0.00 H new ATOM 0 HA SER A 68 2.235 0.114 -17.485 1.00 0.00 H new ATOM 0 HB2 SER A 68 0.031 -1.902 -16.916 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.040 -0.926 -18.372 1.00 0.00 H new ATOM 0 HG SER A 68 1.091 -2.971 -18.680 1.00 0.00 H new ATOM 1074 N ARG A 69 -0.462 0.669 -15.647 1.00 0.00 N ATOM 1075 CA ARG A 69 -1.434 1.690 -15.274 1.00 0.00 C ATOM 1076 C ARG A 69 -1.008 2.406 -13.996 1.00 0.00 C ATOM 1077 O ARG A 69 -1.150 3.623 -13.877 1.00 0.00 O ATOM 1078 CB ARG A 69 -2.816 1.063 -15.084 1.00 0.00 C ATOM 1079 CG ARG A 69 -3.043 -0.180 -15.929 1.00 0.00 C ATOM 1080 CD ARG A 69 -2.738 -1.448 -15.148 1.00 0.00 C ATOM 1081 NE ARG A 69 -2.435 -2.574 -16.029 1.00 0.00 N ATOM 1082 CZ ARG A 69 -3.364 -3.352 -16.572 1.00 0.00 C ATOM 1083 NH1 ARG A 69 -4.647 -3.128 -16.328 1.00 0.00 N ATOM 1084 NH2 ARG A 69 -3.009 -4.357 -17.364 1.00 0.00 N ATOM 0 H ARG A 69 -0.566 -0.215 -15.148 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.482 2.422 -16.080 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -2.948 0.806 -14.033 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.578 1.803 -15.329 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.077 -0.203 -16.273 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -2.412 -0.138 -16.817 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.893 -1.270 -14.483 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -3.591 -1.700 -14.518 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.457 -2.773 -16.238 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.924 -2.356 -15.721 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.358 -3.728 -16.747 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.022 -4.532 -17.555 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -3.723 -4.954 -17.781 1.00 0.00 H new ATOM 1098 N VAL A 70 -0.485 1.642 -13.042 1.00 0.00 N ATOM 1099 CA VAL A 70 -0.037 2.203 -11.773 1.00 0.00 C ATOM 1100 C VAL A 70 1.367 2.785 -11.894 1.00 0.00 C ATOM 1101 O VAL A 70 2.300 2.101 -12.316 1.00 0.00 O ATOM 1102 CB VAL A 70 -0.047 1.142 -10.656 1.00 0.00 C ATOM 1103 CG1 VAL A 70 0.372 1.759 -9.330 1.00 0.00 C ATOM 1104 CG2 VAL A 70 -1.422 0.500 -10.544 1.00 0.00 C ATOM 0 H VAL A 70 -0.361 0.633 -13.124 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.735 2.999 -11.514 1.00 0.00 H new ATOM 0 HB VAL A 70 0.673 0.364 -10.911 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.359 0.995 -8.553 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.379 2.167 -9.421 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.321 2.558 -9.065 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.411 -0.247 -9.750 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.163 1.265 -10.312 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.678 0.021 -11.489 1.00 0.00 H new ATOM 1114 N HIS A 71 1.510 4.052 -11.520 1.00 0.00 N ATOM 1115 CA HIS A 71 2.802 4.727 -11.586 1.00 0.00 C ATOM 1116 C HIS A 71 3.379 4.933 -10.188 1.00 0.00 C ATOM 1117 O HIS A 71 3.205 5.991 -9.583 1.00 0.00 O ATOM 1118 CB HIS A 71 2.662 6.074 -12.296 1.00 0.00 C ATOM 1119 CG HIS A 71 3.954 6.601 -12.840 1.00 0.00 C ATOM 1120 ND1 HIS A 71 4.816 5.841 -13.602 1.00 0.00 N ATOM 1121 CD2 HIS A 71 4.529 7.822 -12.729 1.00 0.00 C ATOM 1122 CE1 HIS A 71 5.866 6.571 -13.935 1.00 0.00 C ATOM 1123 NE2 HIS A 71 5.716 7.777 -13.419 1.00 0.00 N ATOM 0 H HIS A 71 0.748 4.632 -11.168 1.00 0.00 H new ATOM 0 HA HIS A 71 3.486 4.095 -12.153 1.00 0.00 H new ATOM 0 HB2 HIS A 71 1.948 5.972 -13.113 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.247 6.802 -11.599 1.00 0.00 H new ATOM 0 HD2 HIS A 71 4.129 8.673 -12.197 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.704 6.238 -14.528 1.00 0.00 H new ATOM 0 HE2 HIS A 71 6.375 8.550 -13.517 1.00 0.00 H new ATOM 1132 N VAL A 72 4.065 3.914 -9.681 1.00 0.00 N ATOM 1133 CA VAL A 72 4.668 3.983 -8.355 1.00 0.00 C ATOM 1134 C VAL A 72 6.055 4.612 -8.414 1.00 0.00 C ATOM 1135 O VAL A 72 7.005 4.001 -8.903 1.00 0.00 O ATOM 1136 CB VAL A 72 4.776 2.587 -7.714 1.00 0.00 C ATOM 1137 CG1 VAL A 72 5.444 2.675 -6.350 1.00 0.00 C ATOM 1138 CG2 VAL A 72 3.402 1.944 -7.603 1.00 0.00 C ATOM 0 H VAL A 72 4.217 3.031 -10.168 1.00 0.00 H new ATOM 0 HA VAL A 72 4.016 4.606 -7.743 1.00 0.00 H new ATOM 0 HB VAL A 72 5.395 1.959 -8.355 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.511 1.679 -5.913 1.00 0.00 H new ATOM 0 HG12 VAL A 72 6.445 3.091 -6.461 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.855 3.319 -5.697 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.497 0.958 -7.148 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.757 2.568 -6.985 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.966 1.844 -8.597 1.00 0.00 H new ATOM 1148 N ARG A 73 6.165 5.838 -7.912 1.00 0.00 N ATOM 1149 CA ARG A 73 7.437 6.551 -7.908 1.00 0.00 C ATOM 1150 C ARG A 73 8.209 6.278 -6.620 1.00 0.00 C ATOM 1151 O ARG A 73 7.969 6.914 -5.593 1.00 0.00 O ATOM 1152 CB ARG A 73 7.203 8.054 -8.067 1.00 0.00 C ATOM 1153 CG ARG A 73 7.049 8.497 -9.512 1.00 0.00 C ATOM 1154 CD ARG A 73 8.391 8.551 -10.225 1.00 0.00 C ATOM 1155 NE ARG A 73 8.272 9.092 -11.577 1.00 0.00 N ATOM 1156 CZ ARG A 73 9.221 8.980 -12.499 1.00 0.00 C ATOM 1157 NH1 ARG A 73 10.353 8.350 -12.218 1.00 0.00 N ATOM 1158 NH2 ARG A 73 9.038 9.499 -13.707 1.00 0.00 N ATOM 0 H ARG A 73 5.389 6.358 -7.503 1.00 0.00 H new ATOM 0 HA ARG A 73 8.030 6.192 -8.749 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.307 8.334 -7.513 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.037 8.592 -7.618 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.385 7.809 -10.036 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.579 9.480 -9.544 1.00 0.00 H new ATOM 0 HD2 ARG A 73 9.083 9.165 -9.649 1.00 0.00 H new ATOM 0 HD3 ARG A 73 8.817 7.549 -10.272 1.00 0.00 H new ATOM 0 HE ARG A 73 7.413 9.582 -11.826 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.497 7.949 -11.291 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.080 8.266 -12.929 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.168 9.984 -13.927 1.00 0.00 H new ATOM 0 HH22 ARG A 73 9.767 9.413 -14.415 1.00 0.00 H new ATOM 1172 N THR A 74 9.137 5.329 -6.682 1.00 0.00 N ATOM 1173 CA THR A 74 9.943 4.971 -5.522 1.00 0.00 C ATOM 1174 C THR A 74 11.265 5.729 -5.516 1.00 0.00 C ATOM 1175 O THR A 74 12.031 5.669 -6.478 1.00 0.00 O ATOM 1176 CB THR A 74 10.232 3.458 -5.484 1.00 0.00 C ATOM 1177 OG1 THR A 74 9.023 2.723 -5.700 1.00 0.00 O ATOM 1178 CG2 THR A 74 10.844 3.057 -4.150 1.00 0.00 C ATOM 0 H THR A 74 9.349 4.794 -7.524 1.00 0.00 H new ATOM 0 HA THR A 74 9.366 5.246 -4.639 1.00 0.00 H new ATOM 0 HB THR A 74 10.944 3.227 -6.276 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.215 1.762 -5.676 1.00 0.00 H new ATOM 0 HG21 THR A 74 11.039 1.985 -4.147 1.00 0.00 H new ATOM 0 HG22 THR A 74 11.779 3.597 -4.002 1.00 0.00 H new ATOM 0 HG23 THR A 74 10.152 3.302 -3.344 1.00 0.00 H new ATOM 1186 N SER A 75 11.528 6.442 -4.425 1.00 0.00 N ATOM 1187 CA SER A 75 12.758 7.216 -4.296 1.00 0.00 C ATOM 1188 C SER A 75 13.697 6.576 -3.277 1.00 0.00 C ATOM 1189 O SER A 75 13.255 6.032 -2.265 1.00 0.00 O ATOM 1190 CB SER A 75 12.439 8.653 -3.880 1.00 0.00 C ATOM 1191 OG SER A 75 12.343 9.502 -5.011 1.00 0.00 O ATOM 0 H SER A 75 10.907 6.500 -3.618 1.00 0.00 H new ATOM 0 HA SER A 75 13.255 7.228 -5.266 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.501 8.675 -3.325 1.00 0.00 H new ATOM 0 HB3 SER A 75 13.215 9.022 -3.209 1.00 0.00 H new ATOM 0 HG SER A 75 12.652 10.401 -4.772 1.00 0.00 H new ATOM 1197 N ASP A 76 14.994 6.646 -3.553 1.00 0.00 N ATOM 1198 CA ASP A 76 15.997 6.076 -2.662 1.00 0.00 C ATOM 1199 C ASP A 76 15.743 6.496 -1.218 1.00 0.00 C ATOM 1200 O ASP A 76 15.972 5.725 -0.286 1.00 0.00 O ATOM 1201 CB ASP A 76 17.399 6.509 -3.093 1.00 0.00 C ATOM 1202 CG ASP A 76 17.493 8.001 -3.343 1.00 0.00 C ATOM 1203 OD1 ASP A 76 16.890 8.477 -4.328 1.00 0.00 O ATOM 1204 OD2 ASP A 76 18.169 8.693 -2.553 1.00 0.00 O ATOM 0 H ASP A 76 15.376 7.092 -4.387 1.00 0.00 H new ATOM 0 HA ASP A 76 15.926 4.990 -2.723 1.00 0.00 H new ATOM 0 HB2 ASP A 76 18.116 6.227 -2.322 1.00 0.00 H new ATOM 0 HB3 ASP A 76 17.679 5.973 -4.000 1.00 0.00 H new ATOM 1209 N PHE A 77 15.269 7.725 -1.039 1.00 0.00 N ATOM 1210 CA PHE A 77 14.986 8.250 0.292 1.00 0.00 C ATOM 1211 C PHE A 77 13.623 7.774 0.785 1.00 0.00 C ATOM 1212 O PHE A 77 13.505 7.219 1.877 1.00 0.00 O ATOM 1213 CB PHE A 77 15.032 9.779 0.281 1.00 0.00 C ATOM 1214 CG PHE A 77 14.277 10.393 -0.863 1.00 0.00 C ATOM 1215 CD1 PHE A 77 14.892 10.595 -2.088 1.00 0.00 C ATOM 1216 CD2 PHE A 77 12.952 10.769 -0.713 1.00 0.00 C ATOM 1217 CE1 PHE A 77 14.200 11.160 -3.143 1.00 0.00 C ATOM 1218 CE2 PHE A 77 12.254 11.334 -1.764 1.00 0.00 C ATOM 1219 CZ PHE A 77 12.880 11.531 -2.980 1.00 0.00 C ATOM 0 H PHE A 77 15.073 8.376 -1.799 1.00 0.00 H new ATOM 0 HA PHE A 77 15.750 7.876 0.973 1.00 0.00 H new ATOM 0 HB2 PHE A 77 14.622 10.154 1.219 1.00 0.00 H new ATOM 0 HB3 PHE A 77 16.072 10.103 0.235 1.00 0.00 H new ATOM 0 HD1 PHE A 77 15.925 10.308 -2.220 1.00 0.00 H new ATOM 0 HD2 PHE A 77 12.459 10.619 0.236 1.00 0.00 H new ATOM 0 HE1 PHE A 77 14.691 11.311 -4.093 1.00 0.00 H new ATOM 0 HE2 PHE A 77 11.221 11.621 -1.635 1.00 0.00 H new ATOM 0 HZ PHE A 77 12.338 11.975 -3.802 1.00 0.00 H new ATOM 1229 N ASP A 78 12.596 7.997 -0.028 1.00 0.00 N ATOM 1230 CA ASP A 78 11.240 7.591 0.324 1.00 0.00 C ATOM 1231 C ASP A 78 10.539 6.947 -0.868 1.00 0.00 C ATOM 1232 O ASP A 78 11.007 7.041 -2.003 1.00 0.00 O ATOM 1233 CB ASP A 78 10.436 8.796 0.815 1.00 0.00 C ATOM 1234 CG ASP A 78 10.274 9.859 -0.254 1.00 0.00 C ATOM 1235 OD1 ASP A 78 10.398 9.521 -1.450 1.00 0.00 O ATOM 1236 OD2 ASP A 78 10.023 11.028 0.106 1.00 0.00 O ATOM 0 H ASP A 78 12.677 8.457 -0.935 1.00 0.00 H new ATOM 0 HA ASP A 78 11.303 6.855 1.126 1.00 0.00 H new ATOM 0 HB2 ASP A 78 9.452 8.463 1.144 1.00 0.00 H new ATOM 0 HB3 ASP A 78 10.932 9.231 1.683 1.00 0.00 H new ATOM 1241 N THR A 79 9.413 6.292 -0.603 1.00 0.00 N ATOM 1242 CA THR A 79 8.648 5.630 -1.652 1.00 0.00 C ATOM 1243 C THR A 79 7.294 6.302 -1.852 1.00 0.00 C ATOM 1244 O THR A 79 6.578 6.576 -0.890 1.00 0.00 O ATOM 1245 CB THR A 79 8.426 4.140 -1.331 1.00 0.00 C ATOM 1246 OG1 THR A 79 7.484 3.576 -2.250 1.00 0.00 O ATOM 1247 CG2 THR A 79 7.922 3.962 0.093 1.00 0.00 C ATOM 0 H THR A 79 9.010 6.206 0.330 1.00 0.00 H new ATOM 0 HA THR A 79 9.231 5.713 -2.569 1.00 0.00 H new ATOM 0 HB THR A 79 9.381 3.624 -1.428 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.963 3.084 -2.949 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.773 2.902 0.296 1.00 0.00 H new ATOM 0 HG22 THR A 79 8.655 4.366 0.792 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.977 4.491 0.213 1.00 0.00 H new ATOM 1255 N VAL A 80 6.950 6.565 -3.109 1.00 0.00 N ATOM 1256 CA VAL A 80 5.680 7.203 -3.436 1.00 0.00 C ATOM 1257 C VAL A 80 4.820 6.300 -4.312 1.00 0.00 C ATOM 1258 O VAL A 80 5.322 5.637 -5.221 1.00 0.00 O ATOM 1259 CB VAL A 80 5.897 8.546 -4.159 1.00 0.00 C ATOM 1260 CG1 VAL A 80 4.565 9.226 -4.433 1.00 0.00 C ATOM 1261 CG2 VAL A 80 6.809 9.449 -3.343 1.00 0.00 C ATOM 0 H VAL A 80 7.533 6.346 -3.917 1.00 0.00 H new ATOM 0 HA VAL A 80 5.165 7.385 -2.493 1.00 0.00 H new ATOM 0 HB VAL A 80 6.381 8.350 -5.116 1.00 0.00 H new ATOM 0 HG11 VAL A 80 4.738 10.173 -4.944 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.950 8.582 -5.061 1.00 0.00 H new ATOM 0 HG13 VAL A 80 4.050 9.411 -3.490 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.951 10.393 -3.869 1.00 0.00 H new ATOM 0 HG22 VAL A 80 6.356 9.640 -2.370 1.00 0.00 H new ATOM 0 HG23 VAL A 80 7.774 8.962 -3.204 1.00 0.00 H new ATOM 1271 N PHE A 81 3.521 6.277 -4.034 1.00 0.00 N ATOM 1272 CA PHE A 81 2.589 5.454 -4.797 1.00 0.00 C ATOM 1273 C PHE A 81 1.495 6.312 -5.425 1.00 0.00 C ATOM 1274 O PHE A 81 0.873 7.135 -4.753 1.00 0.00 O ATOM 1275 CB PHE A 81 1.963 4.388 -3.896 1.00 0.00 C ATOM 1276 CG PHE A 81 0.823 3.653 -4.541 1.00 0.00 C ATOM 1277 CD1 PHE A 81 -0.461 4.172 -4.508 1.00 0.00 C ATOM 1278 CD2 PHE A 81 1.036 2.443 -5.182 1.00 0.00 C ATOM 1279 CE1 PHE A 81 -1.512 3.497 -5.100 1.00 0.00 C ATOM 1280 CE2 PHE A 81 -0.011 1.763 -5.777 1.00 0.00 C ATOM 1281 CZ PHE A 81 -1.286 2.292 -5.736 1.00 0.00 C ATOM 0 H PHE A 81 3.089 6.819 -3.286 1.00 0.00 H new ATOM 0 HA PHE A 81 3.145 4.964 -5.596 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.731 3.670 -3.608 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.608 4.860 -2.980 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.643 5.115 -4.014 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.032 2.026 -5.217 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -2.509 3.911 -5.065 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.168 0.820 -6.273 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.106 1.764 -6.201 1.00 0.00 H new ATOM 1291 N PHE A 82 1.266 6.113 -6.719 1.00 0.00 N ATOM 1292 CA PHE A 82 0.248 6.868 -7.440 1.00 0.00 C ATOM 1293 C PHE A 82 -0.584 5.949 -8.329 1.00 0.00 C ATOM 1294 O PHE A 82 -0.100 4.922 -8.805 1.00 0.00 O ATOM 1295 CB PHE A 82 0.899 7.963 -8.288 1.00 0.00 C ATOM 1296 CG PHE A 82 -0.039 8.596 -9.275 1.00 0.00 C ATOM 1297 CD1 PHE A 82 -0.258 8.014 -10.513 1.00 0.00 C ATOM 1298 CD2 PHE A 82 -0.704 9.771 -8.964 1.00 0.00 C ATOM 1299 CE1 PHE A 82 -1.121 8.595 -11.424 1.00 0.00 C ATOM 1300 CE2 PHE A 82 -1.568 10.356 -9.870 1.00 0.00 C ATOM 1301 CZ PHE A 82 -1.778 9.767 -11.101 1.00 0.00 C ATOM 0 H PHE A 82 1.772 5.435 -7.290 1.00 0.00 H new ATOM 0 HA PHE A 82 -0.412 7.330 -6.706 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.294 8.735 -7.628 1.00 0.00 H new ATOM 0 HB3 PHE A 82 1.747 7.539 -8.826 1.00 0.00 H new ATOM 0 HD1 PHE A 82 0.251 7.097 -10.769 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -0.545 10.235 -8.002 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -1.281 8.133 -12.387 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.079 11.273 -9.615 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.454 10.221 -11.810 1.00 0.00 H new ATOM 1311 N VAL A 83 -1.840 6.325 -8.549 1.00 0.00 N ATOM 1312 CA VAL A 83 -2.740 5.536 -9.380 1.00 0.00 C ATOM 1313 C VAL A 83 -3.645 6.433 -10.217 1.00 0.00 C ATOM 1314 O VAL A 83 -4.398 7.246 -9.680 1.00 0.00 O ATOM 1315 CB VAL A 83 -3.614 4.597 -8.527 1.00 0.00 C ATOM 1316 CG1 VAL A 83 -4.614 3.856 -9.402 1.00 0.00 C ATOM 1317 CG2 VAL A 83 -2.745 3.619 -7.751 1.00 0.00 C ATOM 0 H VAL A 83 -2.257 7.172 -8.163 1.00 0.00 H new ATOM 0 HA VAL A 83 -2.115 4.937 -10.042 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.172 5.200 -7.810 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -5.222 3.198 -8.782 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.258 4.575 -9.908 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.079 3.263 -10.144 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.379 2.963 -7.154 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.159 3.020 -8.448 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.073 4.171 -7.094 1.00 0.00 H new ATOM 1327 N ARG A 84 -3.566 6.280 -11.535 1.00 0.00 N ATOM 1328 CA ARG A 84 -4.377 7.078 -12.446 1.00 0.00 C ATOM 1329 C ARG A 84 -5.760 7.340 -11.856 1.00 0.00 C ATOM 1330 O ARG A 84 -6.164 8.490 -11.684 1.00 0.00 O ATOM 1331 CB ARG A 84 -4.513 6.370 -13.795 1.00 0.00 C ATOM 1332 CG ARG A 84 -5.428 7.090 -14.772 1.00 0.00 C ATOM 1333 CD ARG A 84 -6.057 6.122 -15.763 1.00 0.00 C ATOM 1334 NE ARG A 84 -6.432 6.783 -17.010 1.00 0.00 N ATOM 1335 CZ ARG A 84 -5.553 7.188 -17.920 1.00 0.00 C ATOM 1336 NH1 ARG A 84 -4.256 7.000 -17.723 1.00 0.00 N ATOM 1337 NH2 ARG A 84 -5.972 7.781 -19.031 1.00 0.00 N ATOM 0 H ARG A 84 -2.949 5.611 -11.995 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.877 8.035 -12.594 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -3.525 6.268 -14.244 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -4.893 5.362 -13.630 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.212 7.610 -14.222 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -4.861 7.848 -15.312 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -5.356 5.315 -15.977 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -6.940 5.666 -15.314 1.00 0.00 H new ATOM 0 HE ARG A 84 -7.423 6.942 -17.192 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -3.930 6.543 -16.871 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.583 7.312 -18.423 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -6.970 7.926 -19.187 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -5.296 8.092 -19.729 1.00 0.00 H new ATOM 1351 N GLN A 85 -6.480 6.266 -11.549 1.00 0.00 N ATOM 1352 CA GLN A 85 -7.817 6.380 -10.980 1.00 0.00 C ATOM 1353 C GLN A 85 -8.000 5.407 -9.819 1.00 0.00 C ATOM 1354 O GLN A 85 -7.569 4.257 -9.887 1.00 0.00 O ATOM 1355 CB GLN A 85 -8.876 6.117 -12.053 1.00 0.00 C ATOM 1356 CG GLN A 85 -8.735 4.761 -12.726 1.00 0.00 C ATOM 1357 CD GLN A 85 -9.915 4.428 -13.618 1.00 0.00 C ATOM 1358 OE1 GLN A 85 -10.829 3.709 -13.216 1.00 0.00 O ATOM 1359 NE2 GLN A 85 -9.900 4.952 -14.839 1.00 0.00 N ATOM 0 H GLN A 85 -6.160 5.307 -11.685 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.938 7.395 -10.602 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.865 6.188 -11.601 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.815 6.898 -12.811 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.821 4.747 -13.319 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.632 3.990 -11.963 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -9.122 5.543 -15.131 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.667 4.763 -15.484 1.00 0.00 H new ATOM 1368 N ALA A 86 -8.642 5.878 -8.755 1.00 0.00 N ATOM 1369 CA ALA A 86 -8.883 5.049 -7.580 1.00 0.00 C ATOM 1370 C ALA A 86 -10.148 4.215 -7.747 1.00 0.00 C ATOM 1371 O ALA A 86 -11.175 4.497 -7.131 1.00 0.00 O ATOM 1372 CB ALA A 86 -8.981 5.916 -6.334 1.00 0.00 C ATOM 0 H ALA A 86 -9.004 6.829 -8.682 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.041 4.366 -7.469 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -9.161 5.284 -5.464 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -8.049 6.464 -6.198 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -9.804 6.622 -6.446 1.00 0.00 H new ATOM 1378 N ALA A 87 -10.067 3.186 -8.586 1.00 0.00 N ATOM 1379 CA ALA A 87 -11.206 2.310 -8.833 1.00 0.00 C ATOM 1380 C ALA A 87 -11.488 1.424 -7.625 1.00 0.00 C ATOM 1381 O ALA A 87 -10.670 1.325 -6.711 1.00 0.00 O ATOM 1382 CB ALA A 87 -10.957 1.458 -10.069 1.00 0.00 C ATOM 0 H ALA A 87 -9.225 2.939 -9.106 1.00 0.00 H new ATOM 0 HA ALA A 87 -12.083 2.934 -9.006 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.815 0.809 -10.242 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -10.812 2.105 -10.934 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -10.066 0.849 -9.918 1.00 0.00 H new ATOM 1388 N ARG A 88 -12.652 0.782 -7.627 1.00 0.00 N ATOM 1389 CA ARG A 88 -13.043 -0.095 -6.530 1.00 0.00 C ATOM 1390 C ARG A 88 -12.207 -1.371 -6.529 1.00 0.00 C ATOM 1391 O ARG A 88 -12.039 -2.015 -5.493 1.00 0.00 O ATOM 1392 CB ARG A 88 -14.529 -0.445 -6.633 1.00 0.00 C ATOM 1393 CG ARG A 88 -15.449 0.758 -6.510 1.00 0.00 C ATOM 1394 CD ARG A 88 -16.875 0.412 -6.906 1.00 0.00 C ATOM 1395 NE ARG A 88 -17.066 0.450 -8.354 1.00 0.00 N ATOM 1396 CZ ARG A 88 -16.901 -0.605 -9.145 1.00 0.00 C ATOM 1397 NH1 ARG A 88 -16.544 -1.773 -8.631 1.00 0.00 N ATOM 1398 NH2 ARG A 88 -17.093 -0.491 -10.453 1.00 0.00 N ATOM 0 H ARG A 88 -13.341 0.853 -8.376 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.866 0.435 -5.594 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -14.712 -0.935 -7.589 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -14.779 -1.164 -5.853 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.434 1.125 -5.484 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -15.080 1.565 -7.143 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -17.124 -0.582 -6.534 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -17.563 1.112 -6.431 1.00 0.00 H new ATOM 0 HE ARG A 88 -17.341 1.335 -8.781 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -16.395 -1.864 -7.626 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.418 -2.581 -9.240 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -17.367 0.407 -10.852 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -16.966 -1.301 -11.060 1.00 0.00 H new ATOM 1412 N SER A 89 -11.686 -1.731 -7.698 1.00 0.00 N ATOM 1413 CA SER A 89 -10.871 -2.933 -7.833 1.00 0.00 C ATOM 1414 C SER A 89 -9.504 -2.739 -7.184 1.00 0.00 C ATOM 1415 O SER A 89 -8.845 -3.704 -6.798 1.00 0.00 O ATOM 1416 CB SER A 89 -10.700 -3.295 -9.310 1.00 0.00 C ATOM 1417 OG SER A 89 -10.576 -2.131 -10.109 1.00 0.00 O ATOM 0 H SER A 89 -11.814 -1.208 -8.564 1.00 0.00 H new ATOM 0 HA SER A 89 -11.383 -3.749 -7.323 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.816 -3.921 -9.434 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.556 -3.881 -9.646 1.00 0.00 H new ATOM 0 HG SER A 89 -10.466 -2.389 -11.048 1.00 0.00 H new ATOM 1423 N ASP A 90 -9.085 -1.484 -7.067 1.00 0.00 N ATOM 1424 CA ASP A 90 -7.798 -1.161 -6.463 1.00 0.00 C ATOM 1425 C ASP A 90 -7.844 -1.350 -4.950 1.00 0.00 C ATOM 1426 O ASP A 90 -6.877 -1.809 -4.342 1.00 0.00 O ATOM 1427 CB ASP A 90 -7.400 0.278 -6.798 1.00 0.00 C ATOM 1428 CG ASP A 90 -6.895 0.423 -8.220 1.00 0.00 C ATOM 1429 OD1 ASP A 90 -5.790 -0.081 -8.511 1.00 0.00 O ATOM 1430 OD2 ASP A 90 -7.604 1.041 -9.042 1.00 0.00 O ATOM 0 H ASP A 90 -9.618 -0.674 -7.383 1.00 0.00 H new ATOM 0 HA ASP A 90 -7.052 -1.841 -6.873 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -8.259 0.933 -6.652 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -6.626 0.608 -6.105 1.00 0.00 H new ATOM 1435 N SER A 91 -8.974 -0.992 -4.348 1.00 0.00 N ATOM 1436 CA SER A 91 -9.144 -1.118 -2.906 1.00 0.00 C ATOM 1437 C SER A 91 -8.563 -2.436 -2.403 1.00 0.00 C ATOM 1438 O SER A 91 -8.700 -3.474 -3.048 1.00 0.00 O ATOM 1439 CB SER A 91 -10.626 -1.027 -2.536 1.00 0.00 C ATOM 1440 OG SER A 91 -10.794 -0.539 -1.217 1.00 0.00 O ATOM 0 H SER A 91 -9.785 -0.613 -4.837 1.00 0.00 H new ATOM 0 HA SER A 91 -8.606 -0.299 -2.429 1.00 0.00 H new ATOM 0 HB2 SER A 91 -11.139 -0.370 -3.238 1.00 0.00 H new ATOM 0 HB3 SER A 91 -11.087 -2.011 -2.624 1.00 0.00 H new ATOM 0 HG SER A 91 -9.922 -0.494 -0.771 1.00 0.00 H new ATOM 1446 N GLY A 92 -7.913 -2.385 -1.244 1.00 0.00 N ATOM 1447 CA GLY A 92 -7.320 -3.580 -0.673 1.00 0.00 C ATOM 1448 C GLY A 92 -6.374 -3.268 0.470 1.00 0.00 C ATOM 1449 O GLY A 92 -6.544 -2.271 1.169 1.00 0.00 O ATOM 0 H GLY A 92 -7.787 -1.538 -0.691 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.111 -4.240 -0.316 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -6.780 -4.121 -1.450 1.00 0.00 H new ATOM 1453 N GLU A 93 -5.376 -4.126 0.660 1.00 0.00 N ATOM 1454 CA GLU A 93 -4.401 -3.937 1.728 1.00 0.00 C ATOM 1455 C GLU A 93 -2.981 -3.912 1.170 1.00 0.00 C ATOM 1456 O GLU A 93 -2.425 -4.950 0.811 1.00 0.00 O ATOM 1457 CB GLU A 93 -4.531 -5.050 2.770 1.00 0.00 C ATOM 1458 CG GLU A 93 -3.995 -4.668 4.139 1.00 0.00 C ATOM 1459 CD GLU A 93 -4.366 -5.672 5.213 1.00 0.00 C ATOM 1460 OE1 GLU A 93 -4.337 -6.887 4.925 1.00 0.00 O ATOM 1461 OE2 GLU A 93 -4.685 -5.243 6.341 1.00 0.00 O ATOM 0 H GLU A 93 -5.222 -4.957 0.089 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.603 -2.978 2.204 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -5.581 -5.327 2.865 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.000 -5.933 2.415 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -2.910 -4.580 4.088 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.381 -3.687 4.415 1.00 0.00 H new ATOM 1468 N TYR A 94 -2.400 -2.719 1.100 1.00 0.00 N ATOM 1469 CA TYR A 94 -1.046 -2.557 0.584 1.00 0.00 C ATOM 1470 C TYR A 94 -0.015 -2.742 1.692 1.00 0.00 C ATOM 1471 O TYR A 94 -0.014 -2.010 2.682 1.00 0.00 O ATOM 1472 CB TYR A 94 -0.884 -1.177 -0.055 1.00 0.00 C ATOM 1473 CG TYR A 94 -1.578 -1.042 -1.391 1.00 0.00 C ATOM 1474 CD1 TYR A 94 -2.938 -1.296 -1.518 1.00 0.00 C ATOM 1475 CD2 TYR A 94 -0.874 -0.660 -2.527 1.00 0.00 C ATOM 1476 CE1 TYR A 94 -3.577 -1.175 -2.738 1.00 0.00 C ATOM 1477 CE2 TYR A 94 -1.504 -0.535 -3.750 1.00 0.00 C ATOM 1478 CZ TYR A 94 -2.855 -0.794 -3.850 1.00 0.00 C ATOM 1479 OH TYR A 94 -3.488 -0.671 -5.066 1.00 0.00 O ATOM 0 H TYR A 94 -2.846 -1.850 1.394 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.878 -3.323 -0.174 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -1.276 -0.422 0.626 1.00 0.00 H new ATOM 0 HB3 TYR A 94 0.178 -0.968 -0.184 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.506 -1.593 -0.649 1.00 0.00 H new ATOM 0 HD2 TYR A 94 0.184 -0.457 -2.452 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.635 -1.377 -2.820 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.942 -0.236 -4.623 1.00 0.00 H new ATOM 0 HH TYR A 94 -2.839 -0.394 -5.746 1.00 0.00 H new ATOM 1489 N GLU A 95 0.863 -3.724 1.517 1.00 0.00 N ATOM 1490 CA GLU A 95 1.901 -4.006 2.502 1.00 0.00 C ATOM 1491 C GLU A 95 3.249 -3.456 2.045 1.00 0.00 C ATOM 1492 O GLU A 95 3.772 -3.850 1.002 1.00 0.00 O ATOM 1493 CB GLU A 95 2.008 -5.513 2.746 1.00 0.00 C ATOM 1494 CG GLU A 95 3.181 -5.904 3.630 1.00 0.00 C ATOM 1495 CD GLU A 95 3.715 -7.287 3.312 1.00 0.00 C ATOM 1496 OE1 GLU A 95 2.908 -8.162 2.935 1.00 0.00 O ATOM 1497 OE2 GLU A 95 4.940 -7.494 3.440 1.00 0.00 O ATOM 0 H GLU A 95 0.877 -4.338 0.702 1.00 0.00 H new ATOM 0 HA GLU A 95 1.625 -3.513 3.434 1.00 0.00 H new ATOM 0 HB2 GLU A 95 1.084 -5.865 3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 95 2.101 -6.022 1.787 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.981 -5.173 3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.871 -5.869 4.675 1.00 0.00 H new ATOM 1504 N LEU A 96 3.806 -2.542 2.832 1.00 0.00 N ATOM 1505 CA LEU A 96 5.093 -1.937 2.509 1.00 0.00 C ATOM 1506 C LEU A 96 6.218 -2.592 3.304 1.00 0.00 C ATOM 1507 O LEU A 96 6.221 -2.561 4.535 1.00 0.00 O ATOM 1508 CB LEU A 96 5.058 -0.434 2.796 1.00 0.00 C ATOM 1509 CG LEU A 96 6.410 0.281 2.794 1.00 0.00 C ATOM 1510 CD1 LEU A 96 7.001 0.302 1.393 1.00 0.00 C ATOM 1511 CD2 LEU A 96 6.265 1.696 3.335 1.00 0.00 C ATOM 0 H LEU A 96 3.387 -2.204 3.698 1.00 0.00 H new ATOM 0 HA LEU A 96 5.285 -2.094 1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.416 0.042 2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.590 -0.281 3.768 1.00 0.00 H new ATOM 0 HG LEU A 96 7.091 -0.268 3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.963 0.815 1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 96 7.142 -0.720 1.042 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.323 0.827 0.720 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.237 2.190 3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.568 2.255 2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.886 1.658 4.356 1.00 0.00 H new ATOM 1523 N SER A 97 7.173 -3.182 2.593 1.00 0.00 N ATOM 1524 CA SER A 97 8.303 -3.846 3.232 1.00 0.00 C ATOM 1525 C SER A 97 9.623 -3.235 2.771 1.00 0.00 C ATOM 1526 O SER A 97 9.666 -2.480 1.800 1.00 0.00 O ATOM 1527 CB SER A 97 8.284 -5.343 2.921 1.00 0.00 C ATOM 1528 OG SER A 97 7.684 -5.596 1.662 1.00 0.00 O ATOM 0 H SER A 97 7.187 -3.214 1.574 1.00 0.00 H new ATOM 0 HA SER A 97 8.214 -3.705 4.309 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.302 -5.731 2.926 1.00 0.00 H new ATOM 0 HB3 SER A 97 7.737 -5.873 3.701 1.00 0.00 H new ATOM 0 HG SER A 97 7.686 -6.560 1.487 1.00 0.00 H new ATOM 1534 N VAL A 98 10.700 -3.569 3.475 1.00 0.00 N ATOM 1535 CA VAL A 98 12.023 -3.056 3.139 1.00 0.00 C ATOM 1536 C VAL A 98 13.104 -4.093 3.425 1.00 0.00 C ATOM 1537 O VAL A 98 13.413 -4.377 4.582 1.00 0.00 O ATOM 1538 CB VAL A 98 12.341 -1.769 3.922 1.00 0.00 C ATOM 1539 CG1 VAL A 98 13.775 -1.330 3.668 1.00 0.00 C ATOM 1540 CG2 VAL A 98 11.363 -0.664 3.552 1.00 0.00 C ATOM 0 H VAL A 98 10.682 -4.193 4.282 1.00 0.00 H new ATOM 0 HA VAL A 98 12.014 -2.831 2.073 1.00 0.00 H new ATOM 0 HB VAL A 98 12.233 -1.976 4.987 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.981 -0.419 4.230 1.00 0.00 H new ATOM 0 HG12 VAL A 98 14.458 -2.116 3.988 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.914 -1.140 2.604 1.00 0.00 H new ATOM 0 HG21 VAL A 98 11.603 0.238 4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.436 -0.456 2.485 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.348 -0.981 3.791 1.00 0.00 H new ATOM 1550 N GLN A 99 13.674 -4.653 2.363 1.00 0.00 N ATOM 1551 CA GLN A 99 14.721 -5.659 2.501 1.00 0.00 C ATOM 1552 C GLN A 99 16.101 -5.010 2.518 1.00 0.00 C ATOM 1553 O GLN A 99 16.412 -4.171 1.672 1.00 0.00 O ATOM 1554 CB GLN A 99 14.635 -6.674 1.360 1.00 0.00 C ATOM 1555 CG GLN A 99 15.636 -7.812 1.482 1.00 0.00 C ATOM 1556 CD GLN A 99 15.370 -8.931 0.495 1.00 0.00 C ATOM 1557 OE1 GLN A 99 14.269 -9.480 0.443 1.00 0.00 O ATOM 1558 NE2 GLN A 99 16.380 -9.276 -0.296 1.00 0.00 N ATOM 0 H GLN A 99 13.429 -4.428 1.399 1.00 0.00 H new ATOM 0 HA GLN A 99 14.571 -6.175 3.449 1.00 0.00 H new ATOM 0 HB2 GLN A 99 13.628 -7.089 1.329 1.00 0.00 H new ATOM 0 HB3 GLN A 99 14.797 -6.159 0.413 1.00 0.00 H new ATOM 0 HG2 GLN A 99 16.642 -7.424 1.323 1.00 0.00 H new ATOM 0 HG3 GLN A 99 15.604 -8.212 2.496 1.00 0.00 H new ATOM 0 HE21 GLN A 99 17.276 -8.794 -0.219 1.00 0.00 H new ATOM 0 HE22 GLN A 99 16.260 -10.023 -0.980 1.00 0.00 H new ATOM 1567 N ILE A 100 16.922 -5.403 3.485 1.00 0.00 N ATOM 1568 CA ILE A 100 18.269 -4.860 3.610 1.00 0.00 C ATOM 1569 C ILE A 100 19.314 -5.970 3.584 1.00 0.00 C ATOM 1570 O ILE A 100 19.002 -7.135 3.828 1.00 0.00 O ATOM 1571 CB ILE A 100 18.430 -4.048 4.909 1.00 0.00 C ATOM 1572 CG1 ILE A 100 17.269 -3.065 5.069 1.00 0.00 C ATOM 1573 CG2 ILE A 100 19.761 -3.310 4.911 1.00 0.00 C ATOM 1574 CD1 ILE A 100 17.471 -1.765 4.322 1.00 0.00 C ATOM 0 H ILE A 100 16.679 -6.095 4.193 1.00 0.00 H new ATOM 0 HA ILE A 100 18.424 -4.199 2.757 1.00 0.00 H new ATOM 0 HB ILE A 100 18.417 -4.736 5.754 1.00 0.00 H new ATOM 0 HG12 ILE A 100 16.352 -3.538 4.718 1.00 0.00 H new ATOM 0 HG13 ILE A 100 17.130 -2.848 6.128 1.00 0.00 H new ATOM 0 HG21 ILE A 100 19.860 -2.741 5.835 1.00 0.00 H new ATOM 0 HG22 ILE A 100 20.576 -4.030 4.839 1.00 0.00 H new ATOM 0 HG23 ILE A 100 19.801 -2.630 4.060 1.00 0.00 H new ATOM 0 HD11 ILE A 100 16.609 -1.117 4.480 1.00 0.00 H new ATOM 0 HD12 ILE A 100 18.370 -1.270 4.690 1.00 0.00 H new ATOM 0 HD13 ILE A 100 17.580 -1.970 3.257 1.00 0.00 H new ATOM 1586 N GLU A 101 20.557 -5.599 3.289 1.00 0.00 N ATOM 1587 CA GLU A 101 21.648 -6.564 3.233 1.00 0.00 C ATOM 1588 C GLU A 101 21.397 -7.725 4.191 1.00 0.00 C ATOM 1589 O GLU A 101 21.505 -8.891 3.811 1.00 0.00 O ATOM 1590 CB GLU A 101 22.976 -5.885 3.574 1.00 0.00 C ATOM 1591 CG GLU A 101 23.601 -5.147 2.403 1.00 0.00 C ATOM 1592 CD GLU A 101 24.443 -6.052 1.524 1.00 0.00 C ATOM 1593 OE1 GLU A 101 23.885 -7.013 0.955 1.00 0.00 O ATOM 1594 OE2 GLU A 101 25.660 -5.798 1.406 1.00 0.00 O ATOM 0 H GLU A 101 20.832 -4.638 3.086 1.00 0.00 H new ATOM 0 HA GLU A 101 21.699 -6.958 2.218 1.00 0.00 H new ATOM 0 HB2 GLU A 101 22.815 -5.182 4.391 1.00 0.00 H new ATOM 0 HB3 GLU A 101 23.677 -6.638 3.934 1.00 0.00 H new ATOM 0 HG2 GLU A 101 22.813 -4.694 1.802 1.00 0.00 H new ATOM 0 HG3 GLU A 101 24.221 -4.334 2.780 1.00 0.00 H new ATOM 1601 N ASN A 102 21.063 -7.398 5.435 1.00 0.00 N ATOM 1602 CA ASN A 102 20.798 -8.413 6.448 1.00 0.00 C ATOM 1603 C ASN A 102 19.508 -8.105 7.202 1.00 0.00 C ATOM 1604 O ASN A 102 18.785 -9.012 7.612 1.00 0.00 O ATOM 1605 CB ASN A 102 21.968 -8.500 7.430 1.00 0.00 C ATOM 1606 CG ASN A 102 22.091 -9.874 8.061 1.00 0.00 C ATOM 1607 OD1 ASN A 102 22.097 -10.890 7.366 1.00 0.00 O ATOM 1608 ND2 ASN A 102 22.190 -9.910 9.385 1.00 0.00 N ATOM 0 H ASN A 102 20.969 -6.438 5.766 1.00 0.00 H new ATOM 0 HA ASN A 102 20.683 -9.373 5.944 1.00 0.00 H new ATOM 0 HB2 ASN A 102 22.895 -8.258 6.910 1.00 0.00 H new ATOM 0 HB3 ASN A 102 21.838 -7.753 8.213 1.00 0.00 H new ATOM 0 HD21 ASN A 102 22.275 -10.805 9.866 1.00 0.00 H new ATOM 0 HD22 ASN A 102 22.181 -9.042 9.921 1.00 0.00 H new ATOM 1615 N MET A 103 19.226 -6.818 7.381 1.00 0.00 N ATOM 1616 CA MET A 103 18.022 -6.390 8.084 1.00 0.00 C ATOM 1617 C MET A 103 16.829 -6.335 7.135 1.00 0.00 C ATOM 1618 O MET A 103 16.990 -6.382 5.915 1.00 0.00 O ATOM 1619 CB MET A 103 18.242 -5.020 8.727 1.00 0.00 C ATOM 1620 CG MET A 103 19.242 -5.038 9.871 1.00 0.00 C ATOM 1621 SD MET A 103 19.017 -3.660 11.012 1.00 0.00 S ATOM 1622 CE MET A 103 17.418 -4.058 11.713 1.00 0.00 C ATOM 0 H MET A 103 19.815 -6.054 7.049 1.00 0.00 H new ATOM 0 HA MET A 103 17.808 -7.119 8.865 1.00 0.00 H new ATOM 0 HB2 MET A 103 18.587 -4.322 7.965 1.00 0.00 H new ATOM 0 HB3 MET A 103 17.288 -4.644 9.096 1.00 0.00 H new ATOM 0 HG2 MET A 103 19.146 -5.976 10.417 1.00 0.00 H new ATOM 0 HG3 MET A 103 20.253 -5.007 9.465 1.00 0.00 H new ATOM 0 HE1 MET A 103 16.722 -3.241 11.519 1.00 0.00 H new ATOM 0 HE2 MET A 103 17.039 -4.973 11.258 1.00 0.00 H new ATOM 0 HE3 MET A 103 17.518 -4.202 12.789 1.00 0.00 H new ATOM 1632 N LYS A 104 15.632 -6.236 7.702 1.00 0.00 N ATOM 1633 CA LYS A 104 14.411 -6.173 6.908 1.00 0.00 C ATOM 1634 C LYS A 104 13.264 -5.577 7.719 1.00 0.00 C ATOM 1635 O LYS A 104 13.228 -5.700 8.943 1.00 0.00 O ATOM 1636 CB LYS A 104 14.028 -7.569 6.413 1.00 0.00 C ATOM 1637 CG LYS A 104 12.607 -7.658 5.883 1.00 0.00 C ATOM 1638 CD LYS A 104 12.483 -8.711 4.794 1.00 0.00 C ATOM 1639 CE LYS A 104 11.093 -9.329 4.773 1.00 0.00 C ATOM 1640 NZ LYS A 104 10.944 -10.396 5.802 1.00 0.00 N ATOM 0 H LYS A 104 15.481 -6.198 8.710 1.00 0.00 H new ATOM 0 HA LYS A 104 14.599 -5.528 6.049 1.00 0.00 H new ATOM 0 HB2 LYS A 104 14.720 -7.869 5.626 1.00 0.00 H new ATOM 0 HB3 LYS A 104 14.147 -8.280 7.230 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.927 -7.897 6.701 1.00 0.00 H new ATOM 0 HG3 LYS A 104 12.303 -6.688 5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.697 -8.261 3.825 1.00 0.00 H new ATOM 0 HD3 LYS A 104 13.227 -9.491 4.954 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.348 -8.552 4.945 1.00 0.00 H new ATOM 0 HE3 LYS A 104 10.896 -9.747 3.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 9.983 -10.792 5.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 11.638 -11.150 5.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.106 -9.992 6.747 1.00 0.00 H new ATOM 1654 N ASP A 105 12.329 -4.934 7.028 1.00 0.00 N ATOM 1655 CA ASP A 105 11.180 -4.322 7.684 1.00 0.00 C ATOM 1656 C ASP A 105 9.894 -4.626 6.922 1.00 0.00 C ATOM 1657 O ASP A 105 9.924 -4.943 5.732 1.00 0.00 O ATOM 1658 CB ASP A 105 11.375 -2.809 7.796 1.00 0.00 C ATOM 1659 CG ASP A 105 12.071 -2.410 9.083 1.00 0.00 C ATOM 1660 OD1 ASP A 105 12.969 -3.155 9.528 1.00 0.00 O ATOM 1661 OD2 ASP A 105 11.719 -1.351 9.643 1.00 0.00 O ATOM 0 H ASP A 105 12.344 -4.823 6.014 1.00 0.00 H new ATOM 0 HA ASP A 105 11.097 -4.745 8.685 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.959 -2.457 6.946 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.405 -2.315 7.743 1.00 0.00 H new ATOM 1666 N THR A 106 8.763 -4.527 7.615 1.00 0.00 N ATOM 1667 CA THR A 106 7.467 -4.793 7.004 1.00 0.00 C ATOM 1668 C THR A 106 6.417 -3.799 7.487 1.00 0.00 C ATOM 1669 O THR A 106 6.593 -3.147 8.515 1.00 0.00 O ATOM 1670 CB THR A 106 6.983 -6.223 7.313 1.00 0.00 C ATOM 1671 OG1 THR A 106 7.091 -6.483 8.717 1.00 0.00 O ATOM 1672 CG2 THR A 106 7.796 -7.249 6.538 1.00 0.00 C ATOM 0 H THR A 106 8.719 -4.265 8.600 1.00 0.00 H new ATOM 0 HA THR A 106 7.598 -4.686 5.927 1.00 0.00 H new ATOM 0 HB THR A 106 5.940 -6.304 7.008 1.00 0.00 H new ATOM 0 HG1 THR A 106 6.780 -7.393 8.906 1.00 0.00 H new ATOM 0 HG21 THR A 106 7.436 -8.251 6.772 1.00 0.00 H new ATOM 0 HG22 THR A 106 7.689 -7.066 5.469 1.00 0.00 H new ATOM 0 HG23 THR A 106 8.847 -7.167 6.817 1.00 0.00 H new ATOM 1680 N ALA A 107 5.326 -3.687 6.737 1.00 0.00 N ATOM 1681 CA ALA A 107 4.246 -2.774 7.091 1.00 0.00 C ATOM 1682 C ALA A 107 2.969 -3.112 6.329 1.00 0.00 C ATOM 1683 O ALA A 107 3.010 -3.761 5.284 1.00 0.00 O ATOM 1684 CB ALA A 107 4.661 -1.336 6.816 1.00 0.00 C ATOM 0 H ALA A 107 5.166 -4.217 5.880 1.00 0.00 H new ATOM 0 HA ALA A 107 4.043 -2.886 8.156 1.00 0.00 H new ATOM 0 HB1 ALA A 107 3.846 -0.664 7.085 1.00 0.00 H new ATOM 0 HB2 ALA A 107 5.542 -1.092 7.409 1.00 0.00 H new ATOM 0 HB3 ALA A 107 4.893 -1.220 5.757 1.00 0.00 H new ATOM 1690 N THR A 108 1.834 -2.669 6.861 1.00 0.00 N ATOM 1691 CA THR A 108 0.544 -2.927 6.233 1.00 0.00 C ATOM 1692 C THR A 108 -0.265 -1.643 6.091 1.00 0.00 C ATOM 1693 O THR A 108 -0.277 -0.803 6.991 1.00 0.00 O ATOM 1694 CB THR A 108 -0.278 -3.951 7.038 1.00 0.00 C ATOM 1695 OG1 THR A 108 0.478 -5.155 7.216 1.00 0.00 O ATOM 1696 CG2 THR A 108 -1.588 -4.268 6.332 1.00 0.00 C ATOM 0 H THR A 108 1.782 -2.130 7.725 1.00 0.00 H new ATOM 0 HA THR A 108 0.750 -3.335 5.243 1.00 0.00 H new ATOM 0 HB THR A 108 -0.504 -3.517 8.012 1.00 0.00 H new ATOM 0 HG1 THR A 108 -0.051 -5.800 7.730 1.00 0.00 H new ATOM 0 HG21 THR A 108 -2.151 -4.993 6.919 1.00 0.00 H new ATOM 0 HG22 THR A 108 -2.173 -3.355 6.224 1.00 0.00 H new ATOM 0 HG23 THR A 108 -1.379 -4.683 5.346 1.00 0.00 H new ATOM 1704 N ILE A 109 -0.939 -1.497 4.955 1.00 0.00 N ATOM 1705 CA ILE A 109 -1.752 -0.315 4.697 1.00 0.00 C ATOM 1706 C ILE A 109 -3.151 -0.701 4.229 1.00 0.00 C ATOM 1707 O ILE A 109 -3.316 -1.618 3.424 1.00 0.00 O ATOM 1708 CB ILE A 109 -1.102 0.595 3.638 1.00 0.00 C ATOM 1709 CG1 ILE A 109 0.285 1.045 4.103 1.00 0.00 C ATOM 1710 CG2 ILE A 109 -1.989 1.799 3.358 1.00 0.00 C ATOM 1711 CD1 ILE A 109 1.092 1.729 3.022 1.00 0.00 C ATOM 0 H ILE A 109 -0.938 -2.182 4.199 1.00 0.00 H new ATOM 0 HA ILE A 109 -1.824 0.230 5.638 1.00 0.00 H new ATOM 0 HB ILE A 109 -0.989 0.029 2.714 1.00 0.00 H new ATOM 0 HG12 ILE A 109 0.173 1.725 4.947 1.00 0.00 H new ATOM 0 HG13 ILE A 109 0.838 0.177 4.464 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -1.516 2.433 2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -2.957 1.460 2.989 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.130 2.368 4.277 1.00 0.00 H new ATOM 0 HD11 ILE A 109 2.063 2.021 3.422 1.00 0.00 H new ATOM 0 HD12 ILE A 109 1.235 1.044 2.186 1.00 0.00 H new ATOM 0 HD13 ILE A 109 0.560 2.616 2.677 1.00 0.00 H new ATOM 1723 N ARG A 110 -4.155 0.005 4.737 1.00 0.00 N ATOM 1724 CA ARG A 110 -5.541 -0.263 4.370 1.00 0.00 C ATOM 1725 C ARG A 110 -6.101 0.861 3.503 1.00 0.00 C ATOM 1726 O ARG A 110 -6.023 2.035 3.866 1.00 0.00 O ATOM 1727 CB ARG A 110 -6.399 -0.431 5.625 1.00 0.00 C ATOM 1728 CG ARG A 110 -6.095 -1.698 6.406 1.00 0.00 C ATOM 1729 CD ARG A 110 -6.888 -1.758 7.702 1.00 0.00 C ATOM 1730 NE ARG A 110 -6.221 -1.043 8.786 1.00 0.00 N ATOM 1731 CZ ARG A 110 -6.660 -1.032 10.040 1.00 0.00 C ATOM 1732 NH1 ARG A 110 -7.762 -1.694 10.365 1.00 0.00 N ATOM 1733 NH2 ARG A 110 -5.997 -0.358 10.971 1.00 0.00 N ATOM 0 H ARG A 110 -4.035 0.767 5.404 1.00 0.00 H new ATOM 0 HA ARG A 110 -5.566 -1.188 3.795 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -6.249 0.431 6.275 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -7.451 -0.435 5.338 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -6.330 -2.569 5.794 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -5.029 -1.743 6.628 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -7.878 -1.331 7.541 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -7.033 -2.799 7.990 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.371 -0.523 8.569 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -8.274 -2.213 9.652 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -8.097 -1.684 11.328 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -5.149 0.153 10.724 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -6.335 -0.350 11.933 1.00 0.00 H new ATOM 1747 N ILE A 111 -6.665 0.493 2.358 1.00 0.00 N ATOM 1748 CA ILE A 111 -7.239 1.469 1.441 1.00 0.00 C ATOM 1749 C ILE A 111 -8.688 1.129 1.111 1.00 0.00 C ATOM 1750 O ILE A 111 -9.011 -0.017 0.795 1.00 0.00 O ATOM 1751 CB ILE A 111 -6.432 1.554 0.131 1.00 0.00 C ATOM 1752 CG1 ILE A 111 -4.972 1.903 0.428 1.00 0.00 C ATOM 1753 CG2 ILE A 111 -7.049 2.582 -0.805 1.00 0.00 C ATOM 1754 CD1 ILE A 111 -4.044 1.664 -0.743 1.00 0.00 C ATOM 0 H ILE A 111 -6.737 -0.475 2.043 1.00 0.00 H new ATOM 0 HA ILE A 111 -7.201 2.435 1.945 1.00 0.00 H new ATOM 0 HB ILE A 111 -6.460 0.581 -0.360 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -4.910 2.951 0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -4.631 1.312 1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -6.468 2.631 -1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -8.074 2.293 -1.038 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -7.048 3.560 -0.323 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -3.026 1.933 -0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -4.077 0.611 -1.024 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -4.360 2.275 -1.588 1.00 0.00 H new ATOM 1766 N ARG A 112 -9.557 2.131 1.184 1.00 0.00 N ATOM 1767 CA ARG A 112 -10.973 1.938 0.893 1.00 0.00 C ATOM 1768 C ARG A 112 -11.462 2.961 -0.129 1.00 0.00 C ATOM 1769 O ARG A 112 -11.272 4.165 0.042 1.00 0.00 O ATOM 1770 CB ARG A 112 -11.799 2.048 2.176 1.00 0.00 C ATOM 1771 CG ARG A 112 -13.288 2.224 1.928 1.00 0.00 C ATOM 1772 CD ARG A 112 -14.066 2.288 3.232 1.00 0.00 C ATOM 1773 NE ARG A 112 -15.417 1.751 3.091 1.00 0.00 N ATOM 1774 CZ ARG A 112 -16.380 1.938 3.987 1.00 0.00 C ATOM 1775 NH1 ARG A 112 -16.142 2.646 5.082 1.00 0.00 N ATOM 1776 NH2 ARG A 112 -17.584 1.417 3.787 1.00 0.00 N ATOM 0 H ARG A 112 -9.306 3.085 1.442 1.00 0.00 H new ATOM 0 HA ARG A 112 -11.099 0.940 0.472 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -11.643 1.152 2.777 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -11.434 2.892 2.762 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -13.457 3.137 1.357 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -13.658 1.396 1.323 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -13.532 1.729 4.000 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -14.121 3.323 3.571 1.00 0.00 H new ATOM 0 HE ARG A 112 -15.633 1.202 2.259 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -15.218 3.049 5.238 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -16.883 2.788 5.768 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -17.771 0.873 2.945 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -18.323 1.561 4.475 1.00 0.00 H new ATOM 1790 N VAL A 113 -12.091 2.472 -1.193 1.00 0.00 N ATOM 1791 CA VAL A 113 -12.608 3.342 -2.242 1.00 0.00 C ATOM 1792 C VAL A 113 -14.125 3.467 -2.155 1.00 0.00 C ATOM 1793 O VAL A 113 -14.836 2.468 -2.049 1.00 0.00 O ATOM 1794 CB VAL A 113 -12.226 2.823 -3.641 1.00 0.00 C ATOM 1795 CG1 VAL A 113 -12.841 3.698 -4.722 1.00 0.00 C ATOM 1796 CG2 VAL A 113 -10.714 2.759 -3.791 1.00 0.00 C ATOM 0 H VAL A 113 -12.255 1.478 -1.351 1.00 0.00 H new ATOM 0 HA VAL A 113 -12.156 4.322 -2.091 1.00 0.00 H new ATOM 0 HB VAL A 113 -12.622 1.814 -3.755 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -12.560 3.316 -5.703 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -13.927 3.687 -4.625 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -12.478 4.720 -4.613 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -10.462 2.390 -4.785 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -10.292 3.755 -3.656 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -10.302 2.086 -3.039 1.00 0.00 H new ATOM 1806 N VAL A 114 -14.615 4.702 -2.201 1.00 0.00 N ATOM 1807 CA VAL A 114 -16.048 4.959 -2.129 1.00 0.00 C ATOM 1808 C VAL A 114 -16.593 5.416 -3.477 1.00 0.00 C ATOM 1809 O VAL A 114 -15.991 6.252 -4.150 1.00 0.00 O ATOM 1810 CB VAL A 114 -16.375 6.027 -1.068 1.00 0.00 C ATOM 1811 CG1 VAL A 114 -15.936 5.560 0.312 1.00 0.00 C ATOM 1812 CG2 VAL A 114 -15.717 7.351 -1.425 1.00 0.00 C ATOM 0 H VAL A 114 -14.040 5.540 -2.288 1.00 0.00 H new ATOM 0 HA VAL A 114 -16.523 4.019 -1.847 1.00 0.00 H new ATOM 0 HB VAL A 114 -17.454 6.177 -1.049 1.00 0.00 H new ATOM 0 HG11 VAL A 114 -16.175 6.327 1.049 1.00 0.00 H new ATOM 0 HG12 VAL A 114 -16.457 4.637 0.567 1.00 0.00 H new ATOM 0 HG13 VAL A 114 -14.861 5.381 0.310 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -15.959 8.094 -0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -14.636 7.219 -1.473 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -16.084 7.690 -2.394 1.00 0.00 H new ATOM 1822 N GLU A 115 -17.737 4.860 -3.866 1.00 0.00 N ATOM 1823 CA GLU A 115 -18.363 5.211 -5.135 1.00 0.00 C ATOM 1824 C GLU A 115 -18.732 6.691 -5.169 1.00 0.00 C ATOM 1825 O GLU A 115 -19.488 7.174 -4.325 1.00 0.00 O ATOM 1826 CB GLU A 115 -19.612 4.357 -5.367 1.00 0.00 C ATOM 1827 CG GLU A 115 -19.309 2.971 -5.910 1.00 0.00 C ATOM 1828 CD GLU A 115 -20.456 2.398 -6.720 1.00 0.00 C ATOM 1829 OE1 GLU A 115 -20.733 2.930 -7.815 1.00 0.00 O ATOM 1830 OE2 GLU A 115 -21.076 1.417 -6.258 1.00 0.00 O ATOM 0 H GLU A 115 -18.248 4.166 -3.321 1.00 0.00 H new ATOM 0 HA GLU A 115 -17.645 5.015 -5.931 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -20.155 4.259 -4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -20.272 4.875 -6.063 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -18.416 3.016 -6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -19.085 2.301 -5.080 1.00 0.00 H new ATOM 1837 N LYS A 116 -18.194 7.407 -6.151 1.00 0.00 N ATOM 1838 CA LYS A 116 -18.465 8.832 -6.297 1.00 0.00 C ATOM 1839 C LYS A 116 -19.911 9.151 -5.931 1.00 0.00 C ATOM 1840 O LYS A 116 -20.185 10.135 -5.244 1.00 0.00 O ATOM 1841 CB LYS A 116 -18.181 9.281 -7.732 1.00 0.00 C ATOM 1842 CG LYS A 116 -19.045 8.586 -8.770 1.00 0.00 C ATOM 1843 CD LYS A 116 -18.461 8.725 -10.166 1.00 0.00 C ATOM 1844 CE LYS A 116 -17.419 7.653 -10.444 1.00 0.00 C ATOM 1845 NZ LYS A 116 -16.801 7.815 -11.789 1.00 0.00 N ATOM 0 H LYS A 116 -17.567 7.023 -6.858 1.00 0.00 H new ATOM 0 HA LYS A 116 -17.808 9.373 -5.616 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -18.336 10.357 -7.804 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -17.132 9.094 -7.961 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -19.139 7.530 -8.518 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -20.049 9.009 -8.751 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -19.260 8.657 -10.904 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -18.009 9.711 -10.276 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -16.642 7.695 -9.680 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -17.883 6.669 -10.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -16.096 7.065 -11.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -17.538 7.750 -12.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -16.336 8.744 -11.848 1.00 0.00 H new