USER MOD reduce.3.24.130724 H: found=0, std=0, add=705, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 705 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 TYR OH : rot 180:sc= -0.335 USER MOD Set 1.2: A 64 HIS : no HE2:sc= -8.15! C(o=-8.5!,f=-6.8!) USER MOD Single : A 20 LYS NZ :NH3+ -108:sc= -0.201 (180deg=-2.12!) USER MOD Single : A 21 GLN : amide:sc= -3.41! C(o=-3.4!,f=-3.2!) USER MOD Single : A 23 CYS SG : rot 180:sc= 0.0256 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc=-0.00256 X(o=-0.0026,f=-0.23) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -2.65! C(o=-2.6!,f=-3.7!) USER MOD Single : A 50 TYR OH : rot 180:sc= -0.017 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 CYS SG : rot -77:sc= -2.21! USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 86 ASN : amide:sc= -3.25 K(o=-3.2,f=-1.4) USER MOD Single : A 92 THR OG1 : rot 130:sc= -1.16 USER MOD Single : A 97 HIS : no HE2:sc= -3.68! C(o=-3.7!,f=-6.6!) USER MOD Single : A 98 TYR OH : rot 180:sc= -0.151 USER MOD Single : A 101 GLN : amide:sc= -0.469 X(o=-0.47,f=-0.52) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -1.42 X(o=-1.4,f=-1.1) USER MOD Single : A 117 MET CE :methyl 166:sc= -2.94! (180deg=-3.84!) USER MOD Single : A 119 SER OG : rot -33:sc= -0.65 USER MOD ----------------------------------------------------------------- ATOM 223 N VAL A 17 4.978 8.523 8.271 1.00 0.00 N ATOM 224 CA VAL A 17 4.527 7.817 9.459 1.00 0.00 C ATOM 225 C VAL A 17 3.627 6.651 9.043 1.00 0.00 C ATOM 226 O VAL A 17 3.417 6.418 7.854 1.00 0.00 O ATOM 227 CB VAL A 17 3.839 8.791 10.417 1.00 0.00 C ATOM 228 CG1 VAL A 17 4.868 9.622 11.186 1.00 0.00 C ATOM 229 CG2 VAL A 17 2.854 9.692 9.670 1.00 0.00 C ATOM 0 HA VAL A 17 5.376 7.396 9.999 1.00 0.00 H new ATOM 0 HB VAL A 17 3.273 8.205 11.141 1.00 0.00 H new ATOM 0 HG11 VAL A 17 4.353 10.306 11.860 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.512 8.959 11.764 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.474 10.193 10.482 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.379 10.375 10.375 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.388 10.266 8.913 1.00 0.00 H new ATOM 0 HG23 VAL A 17 2.092 9.078 9.189 1.00 0.00 H new ATOM 239 N ILE A 18 3.119 5.951 10.046 1.00 0.00 N ATOM 240 CA ILE A 18 2.246 4.816 9.800 1.00 0.00 C ATOM 241 C ILE A 18 0.802 5.209 10.120 1.00 0.00 C ATOM 242 O ILE A 18 0.554 5.961 11.061 1.00 0.00 O ATOM 243 CB ILE A 18 2.734 3.587 10.571 1.00 0.00 C ATOM 244 CG1 ILE A 18 4.081 3.101 10.031 1.00 0.00 C ATOM 245 CG2 ILE A 18 1.679 2.479 10.562 1.00 0.00 C ATOM 246 CD1 ILE A 18 4.021 2.890 8.517 1.00 0.00 C ATOM 0 H ILE A 18 3.295 6.148 11.031 1.00 0.00 H new ATOM 0 HA ILE A 18 2.275 4.535 8.747 1.00 0.00 H new ATOM 0 HB ILE A 18 2.889 3.875 11.611 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.857 3.829 10.270 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.358 2.168 10.521 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.051 1.618 11.117 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.764 2.844 11.029 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.469 2.185 9.534 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.991 2.545 8.159 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.261 2.144 8.283 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.768 3.831 8.028 1.00 0.00 H new ATOM 258 N ILE A 19 -0.112 4.682 9.319 1.00 0.00 N ATOM 259 CA ILE A 19 -1.524 4.968 9.505 1.00 0.00 C ATOM 260 C ILE A 19 -2.243 3.696 9.958 1.00 0.00 C ATOM 261 O ILE A 19 -3.264 3.765 10.641 1.00 0.00 O ATOM 262 CB ILE A 19 -2.116 5.591 8.239 1.00 0.00 C ATOM 263 CG1 ILE A 19 -1.530 4.942 6.983 1.00 0.00 C ATOM 264 CG2 ILE A 19 -1.933 7.110 8.238 1.00 0.00 C ATOM 265 CD1 ILE A 19 -0.287 5.696 6.505 1.00 0.00 C ATOM 0 H ILE A 19 0.098 4.058 8.540 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.661 5.710 10.292 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.188 5.396 8.232 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.272 3.904 7.192 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.280 4.931 6.192 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.362 7.528 7.327 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.436 7.538 9.106 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.870 7.348 8.280 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.110 5.214 5.611 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.554 6.727 6.273 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.470 5.684 7.289 1.00 0.00 H new ATOM 277 N LYS A 20 -1.682 2.564 9.560 1.00 0.00 N ATOM 278 CA LYS A 20 -2.256 1.277 9.917 1.00 0.00 C ATOM 279 C LYS A 20 -1.265 0.166 9.566 1.00 0.00 C ATOM 280 O LYS A 20 -0.516 0.280 8.597 1.00 0.00 O ATOM 281 CB LYS A 20 -3.629 1.105 9.265 1.00 0.00 C ATOM 282 CG LYS A 20 -4.197 -0.288 9.543 1.00 0.00 C ATOM 283 CD LYS A 20 -5.689 -0.349 9.208 1.00 0.00 C ATOM 284 CE LYS A 20 -6.231 -1.770 9.378 1.00 0.00 C ATOM 285 NZ LYS A 20 -6.218 -2.163 10.805 1.00 0.00 N ATOM 0 H LYS A 20 -0.835 2.511 8.993 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.429 1.222 10.992 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.314 1.863 9.645 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.547 1.260 8.189 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.658 -1.029 8.953 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.045 -0.544 10.592 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.239 0.334 9.856 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.849 -0.015 8.183 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.247 -1.827 8.988 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.628 -2.468 8.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -5.469 -2.866 10.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.038 -1.325 11.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.139 -2.574 11.060 1.00 0.00 H new ATOM 299 N GLN A 21 -1.292 -0.884 10.374 1.00 0.00 N ATOM 300 CA GLN A 21 -0.405 -2.015 10.161 1.00 0.00 C ATOM 301 C GLN A 21 -1.146 -3.327 10.425 1.00 0.00 C ATOM 302 O GLN A 21 -2.171 -3.340 11.105 1.00 0.00 O ATOM 303 CB GLN A 21 0.845 -1.904 11.037 1.00 0.00 C ATOM 304 CG GLN A 21 1.712 -0.719 10.608 1.00 0.00 C ATOM 305 CD GLN A 21 2.821 -0.453 11.628 1.00 0.00 C ATOM 306 OE1 GLN A 21 2.625 0.198 12.641 1.00 0.00 O ATOM 307 NE2 GLN A 21 3.993 -0.992 11.305 1.00 0.00 N ATOM 0 H GLN A 21 -1.914 -0.975 11.177 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.080 -2.007 9.120 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.553 -1.786 12.080 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.423 -2.825 10.970 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.152 -0.921 9.631 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.091 0.170 10.500 1.00 0.00 H new ATOM 0 HE21 GLN A 21 4.088 -1.526 10.441 1.00 0.00 H new ATOM 0 HE22 GLN A 21 4.797 -0.872 11.921 1.00 0.00 H new ATOM 316 N GLY A 22 -0.597 -4.400 9.875 1.00 0.00 N ATOM 317 CA GLY A 22 -1.193 -5.715 10.042 1.00 0.00 C ATOM 318 C GLY A 22 -0.732 -6.671 8.940 1.00 0.00 C ATOM 319 O GLY A 22 0.172 -6.348 8.172 1.00 0.00 O ATOM 0 H GLY A 22 0.254 -4.386 9.313 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.921 -6.120 11.017 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.280 -5.631 10.024 1.00 0.00 H new ATOM 323 N CYS A 23 -1.375 -7.829 8.898 1.00 0.00 N ATOM 324 CA CYS A 23 -1.043 -8.833 7.903 1.00 0.00 C ATOM 325 C CYS A 23 -2.160 -8.863 6.858 1.00 0.00 C ATOM 326 O CYS A 23 -3.273 -8.409 7.121 1.00 0.00 O ATOM 327 CB CYS A 23 -0.820 -10.207 8.538 1.00 0.00 C ATOM 328 SG CYS A 23 -2.355 -10.775 9.357 1.00 0.00 S ATOM 0 H CYS A 23 -2.124 -8.094 9.537 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.102 -8.571 7.420 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.518 -10.925 7.775 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.009 -10.154 9.264 1.00 0.00 H new ATOM 0 HG CYS A 23 -2.155 -11.943 9.891 1.00 0.00 H new ATOM 334 N LEU A 24 -1.825 -9.402 5.695 1.00 0.00 N ATOM 335 CA LEU A 24 -2.786 -9.496 4.609 1.00 0.00 C ATOM 336 C LEU A 24 -2.404 -10.662 3.695 1.00 0.00 C ATOM 337 O LEU A 24 -1.232 -11.025 3.603 1.00 0.00 O ATOM 338 CB LEU A 24 -2.904 -8.156 3.880 1.00 0.00 C ATOM 339 CG LEU A 24 -3.942 -7.179 4.435 1.00 0.00 C ATOM 340 CD1 LEU A 24 -3.955 -5.878 3.632 1.00 0.00 C ATOM 341 CD2 LEU A 24 -5.327 -7.828 4.498 1.00 0.00 C ATOM 0 H LEU A 24 -0.901 -9.778 5.481 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.781 -9.709 4.999 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -1.929 -7.668 3.898 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.143 -8.353 2.835 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.659 -6.924 5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.702 -5.201 4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.972 -5.409 3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.200 -6.095 2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.046 -7.112 4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.633 -8.131 3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.289 -8.703 5.146 1.00 0.00 H new ATOM 353 N LEU A 25 -3.415 -11.217 3.043 1.00 0.00 N ATOM 354 CA LEU A 25 -3.199 -12.334 2.140 1.00 0.00 C ATOM 355 C LEU A 25 -3.090 -11.812 0.706 1.00 0.00 C ATOM 356 O LEU A 25 -4.101 -11.528 0.066 1.00 0.00 O ATOM 357 CB LEU A 25 -4.288 -13.393 2.327 1.00 0.00 C ATOM 358 CG LEU A 25 -4.524 -13.866 3.763 1.00 0.00 C ATOM 359 CD1 LEU A 25 -3.258 -14.496 4.347 1.00 0.00 C ATOM 360 CD2 LEU A 25 -5.052 -12.726 4.636 1.00 0.00 C ATOM 0 H LEU A 25 -4.386 -10.914 3.122 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.258 -12.833 2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.225 -12.995 1.938 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.033 -14.260 1.717 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.291 -14.640 3.746 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.452 -14.824 5.368 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.965 -15.353 3.740 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.453 -13.761 4.349 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.211 -13.089 5.651 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.326 -11.913 4.651 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.995 -12.363 4.229 1.00 0.00 H new ATOM 372 N LYS A 26 -1.853 -11.701 0.243 1.00 0.00 N ATOM 373 CA LYS A 26 -1.599 -11.218 -1.104 1.00 0.00 C ATOM 374 C LYS A 26 -1.576 -12.404 -2.071 1.00 0.00 C ATOM 375 O LYS A 26 -0.750 -13.305 -1.934 1.00 0.00 O ATOM 376 CB LYS A 26 -0.324 -10.372 -1.137 1.00 0.00 C ATOM 377 CG LYS A 26 -0.172 -9.664 -2.485 1.00 0.00 C ATOM 378 CD LYS A 26 1.167 -8.927 -2.568 1.00 0.00 C ATOM 379 CE LYS A 26 2.027 -9.481 -3.706 1.00 0.00 C ATOM 380 NZ LYS A 26 2.952 -10.519 -3.197 1.00 0.00 N ATOM 0 H LYS A 26 -1.016 -11.937 0.776 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.402 -10.557 -1.430 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.352 -9.634 -0.335 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.543 -11.007 -0.956 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.241 -10.393 -3.293 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.990 -8.957 -2.623 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.991 -7.863 -2.725 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.700 -9.026 -1.623 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.387 -9.903 -4.481 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.595 -8.673 -4.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.529 -10.885 -3.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.574 -10.105 -2.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.404 -11.297 -2.778 1.00 0.00 H new ATOM 394 N GLN A 27 -2.493 -12.364 -3.026 1.00 0.00 N ATOM 395 CA GLN A 27 -2.588 -13.424 -4.016 1.00 0.00 C ATOM 396 C GLN A 27 -1.633 -13.151 -5.179 1.00 0.00 C ATOM 397 O GLN A 27 -1.519 -12.017 -5.641 1.00 0.00 O ATOM 398 CB GLN A 27 -4.027 -13.582 -4.513 1.00 0.00 C ATOM 399 CG GLN A 27 -4.741 -14.714 -3.772 1.00 0.00 C ATOM 400 CD GLN A 27 -4.782 -15.986 -4.622 1.00 0.00 C ATOM 401 OE1 GLN A 27 -3.876 -16.285 -5.382 1.00 0.00 O ATOM 402 NE2 GLN A 27 -5.881 -16.715 -4.452 1.00 0.00 N ATOM 0 H GLN A 27 -3.177 -11.615 -3.136 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.296 -14.362 -3.545 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.570 -12.648 -4.368 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.025 -13.787 -5.584 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.229 -14.917 -2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.756 -14.406 -3.522 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.601 -16.407 -3.799 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.003 -17.582 -4.974 1.00 0.00 H new ATOM 543 N LYS A 35 -1.366 -16.589 0.802 1.00 0.00 N ATOM 544 CA LYS A 35 -0.119 -16.542 1.546 1.00 0.00 C ATOM 545 C LYS A 35 -0.124 -15.319 2.465 1.00 0.00 C ATOM 546 O LYS A 35 -0.207 -14.185 1.995 1.00 0.00 O ATOM 547 CB LYS A 35 1.076 -16.589 0.591 1.00 0.00 C ATOM 548 CG LYS A 35 1.748 -17.963 0.620 1.00 0.00 C ATOM 549 CD LYS A 35 3.031 -17.964 -0.213 1.00 0.00 C ATOM 550 CE LYS A 35 4.233 -18.388 0.633 1.00 0.00 C ATOM 551 NZ LYS A 35 4.453 -19.848 0.527 1.00 0.00 N ATOM 0 HA LYS A 35 -0.023 -17.420 2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.745 -16.364 -0.423 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.798 -15.821 0.869 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.978 -18.237 1.649 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.060 -18.716 0.236 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.919 -18.643 -1.059 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.203 -16.969 -0.623 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.124 -17.855 0.302 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.067 -18.114 1.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.273 -20.119 1.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.608 -20.352 0.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.633 -20.101 -0.466 1.00 0.00 H new ATOM 565 N VAL A 36 -0.034 -15.590 3.759 1.00 0.00 N ATOM 566 CA VAL A 36 -0.027 -14.526 4.748 1.00 0.00 C ATOM 567 C VAL A 36 1.216 -13.658 4.549 1.00 0.00 C ATOM 568 O VAL A 36 2.287 -14.167 4.222 1.00 0.00 O ATOM 569 CB VAL A 36 -0.123 -15.119 6.155 1.00 0.00 C ATOM 570 CG1 VAL A 36 0.204 -14.067 7.217 1.00 0.00 C ATOM 571 CG2 VAL A 36 -1.503 -15.734 6.399 1.00 0.00 C ATOM 0 H VAL A 36 0.035 -16.532 4.145 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.897 -13.881 4.621 1.00 0.00 H new ATOM 0 HB VAL A 36 0.617 -15.916 6.233 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.128 -14.515 8.208 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.217 -13.697 7.062 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.501 -13.239 7.138 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.544 -16.148 7.406 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.268 -14.965 6.291 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.681 -16.527 5.673 1.00 0.00 H new ATOM 581 N ARG A 37 1.033 -12.362 4.754 1.00 0.00 N ATOM 582 CA ARG A 37 2.128 -11.418 4.601 1.00 0.00 C ATOM 583 C ARG A 37 1.827 -10.128 5.367 1.00 0.00 C ATOM 584 O ARG A 37 0.665 -9.768 5.552 1.00 0.00 O ATOM 585 CB ARG A 37 2.365 -11.085 3.127 1.00 0.00 C ATOM 586 CG ARG A 37 3.803 -11.407 2.716 1.00 0.00 C ATOM 587 CD ARG A 37 3.902 -11.648 1.209 1.00 0.00 C ATOM 588 NE ARG A 37 4.929 -12.676 0.927 1.00 0.00 N ATOM 589 CZ ARG A 37 4.843 -13.952 1.325 1.00 0.00 C ATOM 590 NH1 ARG A 37 3.777 -14.366 2.024 1.00 0.00 N ATOM 591 NH2 ARG A 37 5.822 -14.816 1.023 1.00 0.00 N ATOM 0 H ARG A 37 0.143 -11.943 5.025 1.00 0.00 H new ATOM 0 HA ARG A 37 3.027 -11.883 5.006 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.670 -11.651 2.506 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.161 -10.029 2.952 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.459 -10.584 3.000 1.00 0.00 H new ATOM 0 HG3 ARG A 37 4.149 -12.290 3.253 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.936 -11.971 0.820 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.157 -10.719 0.700 1.00 0.00 H new ATOM 0 HE ARG A 37 5.754 -12.395 0.396 1.00 0.00 H new ATOM 0 HH11 ARG A 37 3.031 -13.709 2.253 1.00 0.00 H new ATOM 0 HH12 ARG A 37 3.712 -15.338 2.327 1.00 0.00 H new ATOM 0 HH21 ARG A 37 6.633 -14.502 0.490 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.756 -15.788 1.326 1.00 0.00 H new ATOM 605 N LYS A 38 2.894 -9.467 5.791 1.00 0.00 N ATOM 606 CA LYS A 38 2.759 -8.225 6.532 1.00 0.00 C ATOM 607 C LYS A 38 2.574 -7.067 5.549 1.00 0.00 C ATOM 608 O LYS A 38 3.197 -7.043 4.489 1.00 0.00 O ATOM 609 CB LYS A 38 3.940 -8.039 7.486 1.00 0.00 C ATOM 610 CG LYS A 38 3.787 -6.756 8.306 1.00 0.00 C ATOM 611 CD LYS A 38 3.718 -7.066 9.802 1.00 0.00 C ATOM 612 CE LYS A 38 3.689 -5.778 10.628 1.00 0.00 C ATOM 613 NZ LYS A 38 3.409 -6.080 12.050 1.00 0.00 N ATOM 0 H LYS A 38 3.856 -9.768 5.635 1.00 0.00 H new ATOM 0 HA LYS A 38 1.871 -8.253 7.163 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.010 -8.896 8.155 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.869 -8.002 6.917 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.627 -6.091 8.107 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.884 -6.229 7.998 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.828 -7.658 10.014 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.578 -7.669 10.092 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.645 -5.262 10.541 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.927 -5.105 10.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.393 -5.195 12.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.486 -6.553 12.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.151 -6.705 12.425 1.00 0.00 H new ATOM 627 N PHE A 39 1.715 -6.135 5.936 1.00 0.00 N ATOM 628 CA PHE A 39 1.441 -4.977 5.102 1.00 0.00 C ATOM 629 C PHE A 39 1.374 -3.700 5.942 1.00 0.00 C ATOM 630 O PHE A 39 0.472 -3.539 6.763 1.00 0.00 O ATOM 631 CB PHE A 39 0.080 -5.213 4.444 1.00 0.00 C ATOM 632 CG PHE A 39 0.159 -5.904 3.082 1.00 0.00 C ATOM 633 CD1 PHE A 39 0.278 -7.257 3.011 1.00 0.00 C ATOM 634 CD2 PHE A 39 0.109 -5.165 1.941 1.00 0.00 C ATOM 635 CE1 PHE A 39 0.351 -7.898 1.746 1.00 0.00 C ATOM 636 CE2 PHE A 39 0.182 -5.806 0.676 1.00 0.00 C ATOM 637 CZ PHE A 39 0.302 -7.159 0.605 1.00 0.00 C ATOM 0 H PHE A 39 1.200 -6.158 6.816 1.00 0.00 H new ATOM 0 HA PHE A 39 2.234 -4.853 4.364 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.535 -5.817 5.111 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.426 -4.255 4.325 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.317 -7.844 3.917 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.014 -4.091 1.997 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.445 -8.972 1.690 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.142 -5.219 -0.230 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.358 -7.646 -0.357 1.00 0.00 H new ATOM 647 N ILE A 40 2.340 -2.825 5.708 1.00 0.00 N ATOM 648 CA ILE A 40 2.403 -1.567 6.433 1.00 0.00 C ATOM 649 C ILE A 40 2.048 -0.419 5.485 1.00 0.00 C ATOM 650 O ILE A 40 2.566 -0.346 4.372 1.00 0.00 O ATOM 651 CB ILE A 40 3.764 -1.406 7.111 1.00 0.00 C ATOM 652 CG1 ILE A 40 4.051 -2.580 8.050 1.00 0.00 C ATOM 653 CG2 ILE A 40 3.863 -0.059 7.830 1.00 0.00 C ATOM 654 CD1 ILE A 40 5.522 -2.599 8.471 1.00 0.00 C ATOM 0 H ILE A 40 3.086 -2.962 5.026 1.00 0.00 H new ATOM 0 HA ILE A 40 1.669 -1.555 7.239 1.00 0.00 H new ATOM 0 HB ILE A 40 4.533 -1.416 6.339 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.417 -2.507 8.934 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.799 -3.517 7.554 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.841 0.030 8.304 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.734 0.748 7.109 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.085 0.006 8.590 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.699 -3.443 9.138 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.152 -2.697 7.587 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.764 -1.671 8.988 1.00 0.00 H new ATOM 666 N LEU A 41 1.168 0.449 5.961 1.00 0.00 N ATOM 667 CA LEU A 41 0.739 1.590 5.170 1.00 0.00 C ATOM 668 C LEU A 41 1.344 2.867 5.755 1.00 0.00 C ATOM 669 O LEU A 41 1.339 3.061 6.970 1.00 0.00 O ATOM 670 CB LEU A 41 -0.787 1.624 5.064 1.00 0.00 C ATOM 671 CG LEU A 41 -1.377 2.779 4.252 1.00 0.00 C ATOM 672 CD1 LEU A 41 -1.166 2.559 2.753 1.00 0.00 C ATOM 673 CD2 LEU A 41 -2.852 2.995 4.598 1.00 0.00 C ATOM 0 H LEU A 41 0.740 0.385 6.885 1.00 0.00 H new ATOM 0 HA LEU A 41 1.105 1.504 4.147 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.122 0.686 4.621 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.201 1.666 6.072 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.846 3.692 4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.595 3.394 2.199 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.099 2.493 2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.654 1.633 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.247 3.821 4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.415 2.088 4.375 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.946 3.229 5.658 1.00 0.00 H new ATOM 685 N ARG A 42 1.851 3.706 4.863 1.00 0.00 N ATOM 686 CA ARG A 42 2.459 4.959 5.276 1.00 0.00 C ATOM 687 C ARG A 42 2.060 6.084 4.318 1.00 0.00 C ATOM 688 O ARG A 42 2.234 5.963 3.106 1.00 0.00 O ATOM 689 CB ARG A 42 3.985 4.847 5.311 1.00 0.00 C ATOM 690 CG ARG A 42 4.534 4.418 3.949 1.00 0.00 C ATOM 691 CD ARG A 42 5.244 3.066 4.044 1.00 0.00 C ATOM 692 NE ARG A 42 6.258 3.102 5.122 1.00 0.00 N ATOM 693 CZ ARG A 42 7.400 3.799 5.056 1.00 0.00 C ATOM 694 NH1 ARG A 42 7.681 4.523 3.964 1.00 0.00 N ATOM 695 NH2 ARG A 42 8.262 3.773 6.082 1.00 0.00 N ATOM 0 H ARG A 42 1.853 3.542 3.856 1.00 0.00 H new ATOM 0 HA ARG A 42 2.100 5.186 6.280 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.417 5.806 5.596 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.283 4.125 6.071 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.719 4.355 3.228 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.229 5.172 3.579 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.518 2.278 4.242 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.720 2.828 3.093 1.00 0.00 H new ATOM 0 HE ARG A 42 6.076 2.562 5.968 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.025 4.543 3.183 1.00 0.00 H new ATOM 0 HH12 ARG A 42 8.551 5.054 3.914 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.049 3.222 6.914 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.131 4.304 6.031 1.00 0.00 H new ATOM 709 N GLU A 43 1.531 7.151 4.897 1.00 0.00 N ATOM 710 CA GLU A 43 1.105 8.296 4.110 1.00 0.00 C ATOM 711 C GLU A 43 2.146 9.415 4.194 1.00 0.00 C ATOM 712 O GLU A 43 2.694 9.678 5.263 1.00 0.00 O ATOM 713 CB GLU A 43 -0.270 8.792 4.563 1.00 0.00 C ATOM 714 CG GLU A 43 -0.246 9.209 6.034 1.00 0.00 C ATOM 715 CD GLU A 43 -0.518 10.707 6.185 1.00 0.00 C ATOM 716 OE1 GLU A 43 -1.544 11.156 5.630 1.00 0.00 O ATOM 717 OE2 GLU A 43 0.307 11.369 6.851 1.00 0.00 O ATOM 0 H GLU A 43 1.387 7.247 5.902 1.00 0.00 H new ATOM 0 HA GLU A 43 1.018 7.984 3.069 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.577 9.637 3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.010 8.006 4.416 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.994 8.642 6.588 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.724 8.966 6.468 1.00 0.00 H new ATOM 724 N ASP A 44 2.387 10.042 3.052 1.00 0.00 N ATOM 725 CA ASP A 44 3.352 11.126 2.983 1.00 0.00 C ATOM 726 C ASP A 44 4.720 10.615 3.441 1.00 0.00 C ATOM 727 O ASP A 44 5.148 10.893 4.560 1.00 0.00 O ATOM 728 CB ASP A 44 2.948 12.282 3.900 1.00 0.00 C ATOM 729 CG ASP A 44 3.792 13.550 3.752 1.00 0.00 C ATOM 730 OD1 ASP A 44 4.547 13.616 2.758 1.00 0.00 O ATOM 731 OD2 ASP A 44 3.663 14.424 4.636 1.00 0.00 O ATOM 0 H ASP A 44 1.931 9.820 2.167 1.00 0.00 H new ATOM 0 HA ASP A 44 3.389 11.479 1.953 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.905 12.533 3.706 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.007 11.943 4.934 1.00 0.00 H new ATOM 736 N PRO A 45 5.385 9.857 2.528 1.00 0.00 N ATOM 737 CA PRO A 45 4.806 9.575 1.226 1.00 0.00 C ATOM 738 C PRO A 45 3.694 8.530 1.334 1.00 0.00 C ATOM 739 O PRO A 45 3.576 7.847 2.351 1.00 0.00 O ATOM 740 CB PRO A 45 5.974 9.113 0.369 1.00 0.00 C ATOM 741 CG PRO A 45 7.070 8.709 1.341 1.00 0.00 C ATOM 742 CD PRO A 45 6.700 9.250 2.712 1.00 0.00 C ATOM 0 HA PRO A 45 4.323 10.446 0.783 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.686 8.274 -0.265 1.00 0.00 H new ATOM 0 HB3 PRO A 45 6.313 9.911 -0.292 1.00 0.00 H new ATOM 0 HG2 PRO A 45 7.171 7.624 1.373 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.032 9.109 1.020 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.668 8.454 3.456 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.429 9.982 3.059 1.00 0.00 H new ATOM 750 N ALA A 46 2.906 8.438 0.273 1.00 0.00 N ATOM 751 CA ALA A 46 1.808 7.488 0.236 1.00 0.00 C ATOM 752 C ALA A 46 2.282 6.192 -0.425 1.00 0.00 C ATOM 753 O ALA A 46 2.298 6.086 -1.650 1.00 0.00 O ATOM 754 CB ALA A 46 0.617 8.113 -0.494 1.00 0.00 C ATOM 0 H ALA A 46 3.006 9.006 -0.568 1.00 0.00 H new ATOM 0 HA ALA A 46 1.479 7.242 1.246 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.207 7.400 -0.522 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.300 9.014 0.031 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.909 8.371 -1.512 1.00 0.00 H new ATOM 760 N TYR A 47 2.656 5.239 0.417 1.00 0.00 N ATOM 761 CA TYR A 47 3.129 3.955 -0.070 1.00 0.00 C ATOM 762 C TYR A 47 2.695 2.821 0.861 1.00 0.00 C ATOM 763 O TYR A 47 2.317 3.065 2.007 1.00 0.00 O ATOM 764 CB TYR A 47 4.656 4.041 -0.072 1.00 0.00 C ATOM 765 CG TYR A 47 5.252 4.512 -1.400 1.00 0.00 C ATOM 766 CD1 TYR A 47 5.000 3.805 -2.559 1.00 0.00 C ATOM 767 CD2 TYR A 47 6.040 5.644 -1.440 1.00 0.00 C ATOM 768 CE1 TYR A 47 5.561 4.248 -3.809 1.00 0.00 C ATOM 769 CE2 TYR A 47 6.600 6.087 -2.690 1.00 0.00 C ATOM 770 CZ TYR A 47 6.333 5.368 -3.813 1.00 0.00 C ATOM 771 OH TYR A 47 6.862 5.787 -4.994 1.00 0.00 O ATOM 0 H TYR A 47 2.641 5.331 1.433 1.00 0.00 H new ATOM 0 HA TYR A 47 2.721 3.746 -1.059 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.972 4.722 0.718 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.065 3.060 0.170 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.382 2.920 -2.528 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.237 6.198 -0.534 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.373 3.703 -4.723 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.219 6.971 -2.735 1.00 0.00 H new ATOM 0 HH TYR A 47 7.390 6.599 -4.846 1.00 0.00 H new ATOM 781 N LEU A 48 2.763 1.607 0.336 1.00 0.00 N ATOM 782 CA LEU A 48 2.382 0.435 1.106 1.00 0.00 C ATOM 783 C LEU A 48 3.482 -0.622 0.997 1.00 0.00 C ATOM 784 O LEU A 48 3.689 -1.200 -0.069 1.00 0.00 O ATOM 785 CB LEU A 48 1.003 -0.065 0.673 1.00 0.00 C ATOM 786 CG LEU A 48 0.574 -1.422 1.237 1.00 0.00 C ATOM 787 CD1 LEU A 48 1.275 -2.567 0.502 1.00 0.00 C ATOM 788 CD2 LEU A 48 0.804 -1.485 2.748 1.00 0.00 C ATOM 0 H LEU A 48 3.077 1.409 -0.614 1.00 0.00 H new ATOM 0 HA LEU A 48 2.287 0.688 2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.261 0.678 0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.985 -0.124 -0.415 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.497 -1.539 1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 48 0.953 -3.520 0.922 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.018 -2.531 -0.557 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.354 -2.466 0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.491 -2.459 3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.863 -1.337 2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.222 -0.704 3.237 1.00 0.00 H new ATOM 800 N HIS A 49 4.160 -0.843 2.114 1.00 0.00 N ATOM 801 CA HIS A 49 5.234 -1.821 2.157 1.00 0.00 C ATOM 802 C HIS A 49 4.763 -3.068 2.906 1.00 0.00 C ATOM 803 O HIS A 49 4.056 -2.965 3.908 1.00 0.00 O ATOM 804 CB HIS A 49 6.501 -1.210 2.759 1.00 0.00 C ATOM 805 CG HIS A 49 7.304 -0.378 1.787 1.00 0.00 C ATOM 806 ND1 HIS A 49 6.972 0.926 1.465 1.00 0.00 N ATOM 807 CD2 HIS A 49 8.426 -0.678 1.073 1.00 0.00 C ATOM 808 CE1 HIS A 49 7.861 1.381 0.594 1.00 0.00 C ATOM 809 NE2 HIS A 49 8.761 0.384 0.352 1.00 0.00 N ATOM 0 H HIS A 49 3.986 -0.361 2.996 1.00 0.00 H new ATOM 0 HA HIS A 49 5.494 -2.126 1.143 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.223 -0.588 3.610 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.132 -2.012 3.142 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.953 -1.621 1.091 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.871 2.367 0.153 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.560 0.445 -0.279 1.00 0.00 H new ATOM 817 N TYR A 50 5.173 -4.219 2.393 1.00 0.00 N ATOM 818 CA TYR A 50 4.802 -5.485 3.001 1.00 0.00 C ATOM 819 C TYR A 50 6.011 -6.415 3.112 1.00 0.00 C ATOM 820 O TYR A 50 6.687 -6.682 2.120 1.00 0.00 O ATOM 821 CB TYR A 50 3.771 -6.117 2.064 1.00 0.00 C ATOM 822 CG TYR A 50 4.142 -6.029 0.582 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.035 -4.826 -0.086 1.00 0.00 C ATOM 824 CD2 TYR A 50 4.583 -7.153 -0.087 1.00 0.00 C ATOM 825 CE1 TYR A 50 4.383 -4.744 -1.481 1.00 0.00 C ATOM 826 CE2 TYR A 50 4.932 -7.070 -1.482 1.00 0.00 C ATOM 827 CZ TYR A 50 4.815 -5.870 -2.110 1.00 0.00 C ATOM 828 OH TYR A 50 5.144 -5.792 -3.427 1.00 0.00 O ATOM 0 H TYR A 50 5.759 -4.301 1.562 1.00 0.00 H new ATOM 0 HA TYR A 50 4.412 -5.328 4.007 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.643 -7.165 2.335 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.809 -5.629 2.217 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.690 -3.946 0.437 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.666 -8.095 0.435 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.303 -3.809 -2.016 1.00 0.00 H new ATOM 0 HE2 TYR A 50 5.279 -7.942 -2.017 1.00 0.00 H new ATOM 0 HH TYR A 50 5.437 -6.672 -3.744 1.00 0.00 H new ATOM 838 N TYR A 51 6.247 -6.884 4.329 1.00 0.00 N ATOM 839 CA TYR A 51 7.363 -7.779 4.583 1.00 0.00 C ATOM 840 C TYR A 51 6.870 -9.174 4.972 1.00 0.00 C ATOM 841 O TYR A 51 5.725 -9.336 5.392 1.00 0.00 O ATOM 842 CB TYR A 51 8.129 -7.174 5.761 1.00 0.00 C ATOM 843 CG TYR A 51 8.278 -5.653 5.692 1.00 0.00 C ATOM 844 CD1 TYR A 51 7.222 -4.839 6.047 1.00 0.00 C ATOM 845 CD2 TYR A 51 9.469 -5.095 5.274 1.00 0.00 C ATOM 846 CE1 TYR A 51 7.363 -3.407 5.982 1.00 0.00 C ATOM 847 CE2 TYR A 51 9.610 -3.664 5.208 1.00 0.00 C ATOM 848 CZ TYR A 51 8.550 -2.890 5.566 1.00 0.00 C ATOM 849 OH TYR A 51 8.683 -1.538 5.504 1.00 0.00 O ATOM 0 H TYR A 51 5.684 -6.661 5.150 1.00 0.00 H new ATOM 0 HA TYR A 51 7.982 -7.884 3.692 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.618 -7.437 6.687 1.00 0.00 H new ATOM 0 HB3 TYR A 51 9.121 -7.624 5.806 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.290 -5.276 6.374 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.296 -5.732 4.996 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.544 -2.758 6.257 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.536 -3.215 4.882 1.00 0.00 H new ATOM 0 HH TYR A 51 9.584 -1.312 5.191 1.00 0.00 H new ATOM 859 N ASP A 52 7.758 -10.145 4.819 1.00 0.00 N ATOM 860 CA ASP A 52 7.427 -11.520 5.150 1.00 0.00 C ATOM 861 C ASP A 52 7.158 -11.629 6.652 1.00 0.00 C ATOM 862 O ASP A 52 7.816 -10.968 7.454 1.00 0.00 O ATOM 863 CB ASP A 52 8.584 -12.462 4.808 1.00 0.00 C ATOM 864 CG ASP A 52 8.315 -13.943 5.085 1.00 0.00 C ATOM 865 OD1 ASP A 52 8.463 -14.336 6.262 1.00 0.00 O ATOM 866 OD2 ASP A 52 7.968 -14.648 4.113 1.00 0.00 O ATOM 0 H ASP A 52 8.706 -10.007 4.470 1.00 0.00 H new ATOM 0 HA ASP A 52 6.547 -11.803 4.572 1.00 0.00 H new ATOM 0 HB2 ASP A 52 8.829 -12.344 3.753 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.463 -12.155 5.376 1.00 0.00 H new ATOM 871 N PRO A 53 6.163 -12.490 6.997 1.00 0.00 N ATOM 872 CA PRO A 53 5.797 -12.693 8.388 1.00 0.00 C ATOM 873 C PRO A 53 6.838 -13.553 9.108 1.00 0.00 C ATOM 874 O PRO A 53 7.258 -13.228 10.217 1.00 0.00 O ATOM 875 CB PRO A 53 4.422 -13.338 8.344 1.00 0.00 C ATOM 876 CG PRO A 53 4.268 -13.895 6.938 1.00 0.00 C ATOM 877 CD PRO A 53 5.362 -13.289 6.074 1.00 0.00 C ATOM 0 HA PRO A 53 5.767 -11.763 8.955 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.338 -14.129 9.089 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.642 -12.609 8.563 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.347 -14.982 6.947 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.285 -13.650 6.536 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.963 -14.062 5.596 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.943 -12.673 5.278 1.00 0.00 H new ATOM 885 N ALA A 54 7.224 -14.635 8.447 1.00 0.00 N ATOM 886 CA ALA A 54 8.207 -15.545 9.010 1.00 0.00 C ATOM 887 C ALA A 54 9.518 -14.791 9.245 1.00 0.00 C ATOM 888 O ALA A 54 10.257 -15.099 10.178 1.00 0.00 O ATOM 889 CB ALA A 54 8.385 -16.745 8.078 1.00 0.00 C ATOM 0 H ALA A 54 6.874 -14.902 7.527 1.00 0.00 H new ATOM 0 HA ALA A 54 7.868 -15.927 9.973 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.122 -17.428 8.500 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.433 -17.263 7.966 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.727 -16.400 7.102 1.00 0.00 H new ATOM 895 N GLY A 55 9.766 -13.817 8.382 1.00 0.00 N ATOM 896 CA GLY A 55 10.974 -13.016 8.483 1.00 0.00 C ATOM 897 C GLY A 55 11.494 -12.629 7.098 1.00 0.00 C ATOM 898 O GLY A 55 11.192 -13.296 6.109 1.00 0.00 O ATOM 0 H GLY A 55 9.150 -13.564 7.609 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.770 -12.116 9.063 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.741 -13.574 9.020 1.00 0.00 H new ATOM 902 N ALA A 56 12.266 -11.552 7.070 1.00 0.00 N ATOM 903 CA ALA A 56 12.830 -11.068 5.821 1.00 0.00 C ATOM 904 C ALA A 56 13.483 -9.705 6.057 1.00 0.00 C ATOM 905 O ALA A 56 14.489 -9.378 5.429 1.00 0.00 O ATOM 906 CB ALA A 56 11.736 -11.014 4.753 1.00 0.00 C ATOM 0 H ALA A 56 12.514 -11.001 7.892 1.00 0.00 H new ATOM 0 HA ALA A 56 13.603 -11.746 5.460 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.159 -10.651 3.816 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.325 -12.012 4.603 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.943 -10.340 5.078 1.00 0.00 H new ATOM 912 N GLU A 57 12.884 -8.946 6.963 1.00 0.00 N ATOM 913 CA GLU A 57 13.395 -7.625 7.289 1.00 0.00 C ATOM 914 C GLU A 57 13.034 -6.629 6.185 1.00 0.00 C ATOM 915 O GLU A 57 12.212 -5.739 6.392 1.00 0.00 O ATOM 916 CB GLU A 57 14.907 -7.664 7.520 1.00 0.00 C ATOM 917 CG GLU A 57 15.294 -8.840 8.419 1.00 0.00 C ATOM 918 CD GLU A 57 15.152 -8.470 9.897 1.00 0.00 C ATOM 919 OE1 GLU A 57 15.848 -7.519 10.313 1.00 0.00 O ATOM 920 OE2 GLU A 57 14.351 -9.148 10.576 1.00 0.00 O ATOM 0 H GLU A 57 12.050 -9.220 7.482 1.00 0.00 H new ATOM 0 HA GLU A 57 12.927 -7.294 8.216 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.423 -7.748 6.563 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.233 -6.730 7.977 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.662 -9.699 8.193 1.00 0.00 H new ATOM 0 HG3 GLU A 57 16.322 -9.138 8.212 1.00 0.00 H new ATOM 927 N ASP A 58 13.667 -6.814 5.036 1.00 0.00 N ATOM 928 CA ASP A 58 13.423 -5.943 3.899 1.00 0.00 C ATOM 929 C ASP A 58 12.016 -6.201 3.357 1.00 0.00 C ATOM 930 O ASP A 58 11.507 -7.317 3.446 1.00 0.00 O ATOM 931 CB ASP A 58 14.421 -6.215 2.772 1.00 0.00 C ATOM 932 CG ASP A 58 14.337 -7.614 2.158 1.00 0.00 C ATOM 933 OD1 ASP A 58 13.291 -7.899 1.535 1.00 0.00 O ATOM 934 OD2 ASP A 58 15.321 -8.368 2.325 1.00 0.00 O ATOM 0 H ASP A 58 14.348 -7.554 4.868 1.00 0.00 H new ATOM 0 HA ASP A 58 13.531 -4.912 4.235 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.265 -5.479 1.984 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.430 -6.063 3.156 1.00 0.00 H new ATOM 939 N PRO A 59 11.411 -5.121 2.792 1.00 0.00 N ATOM 940 CA PRO A 59 10.072 -5.220 2.235 1.00 0.00 C ATOM 941 C PRO A 59 10.089 -5.957 0.894 1.00 0.00 C ATOM 942 O PRO A 59 10.926 -5.675 0.038 1.00 0.00 O ATOM 943 CB PRO A 59 9.588 -3.784 2.118 1.00 0.00 C ATOM 944 CG PRO A 59 10.836 -2.918 2.175 1.00 0.00 C ATOM 945 CD PRO A 59 11.983 -3.784 2.668 1.00 0.00 C ATOM 0 HA PRO A 59 9.398 -5.804 2.861 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.047 -3.629 1.184 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.903 -3.535 2.928 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.062 -2.510 1.190 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.683 -2.071 2.844 1.00 0.00 H new ATOM 0 HD2 PRO A 59 12.817 -3.774 1.966 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.366 -3.427 3.624 1.00 0.00 H new ATOM 953 N LEU A 60 9.154 -6.885 0.754 1.00 0.00 N ATOM 954 CA LEU A 60 9.051 -7.664 -0.469 1.00 0.00 C ATOM 955 C LEU A 60 8.870 -6.718 -1.657 1.00 0.00 C ATOM 956 O LEU A 60 9.284 -7.030 -2.773 1.00 0.00 O ATOM 957 CB LEU A 60 7.944 -8.713 -0.343 1.00 0.00 C ATOM 958 CG LEU A 60 8.141 -9.769 0.746 1.00 0.00 C ATOM 959 CD1 LEU A 60 6.907 -9.867 1.644 1.00 0.00 C ATOM 960 CD2 LEU A 60 8.517 -11.122 0.138 1.00 0.00 C ATOM 0 H LEU A 60 8.461 -7.115 1.466 1.00 0.00 H new ATOM 0 HA LEU A 60 9.970 -8.223 -0.644 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.002 -8.198 -0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 60 7.843 -9.223 -1.301 1.00 0.00 H new ATOM 0 HG LEU A 60 8.974 -9.458 1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.073 -10.625 2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.726 -8.903 2.120 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.041 -10.143 1.043 1.00 0.00 H new ATOM 0 HD21 LEU A 60 8.651 -11.854 0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.722 -11.454 -0.530 1.00 0.00 H new ATOM 0 HD23 LEU A 60 9.446 -11.023 -0.424 1.00 0.00 H new ATOM 972 N GLY A 61 8.250 -5.580 -1.378 1.00 0.00 N ATOM 973 CA GLY A 61 8.009 -4.587 -2.410 1.00 0.00 C ATOM 974 C GLY A 61 7.088 -3.478 -1.899 1.00 0.00 C ATOM 975 O GLY A 61 6.562 -3.564 -0.791 1.00 0.00 O ATOM 0 H GLY A 61 7.908 -5.324 -0.452 1.00 0.00 H new ATOM 0 HA2 GLY A 61 8.957 -4.157 -2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.561 -5.064 -3.281 1.00 0.00 H new ATOM 979 N ALA A 62 6.920 -2.461 -2.732 1.00 0.00 N ATOM 980 CA ALA A 62 6.071 -1.336 -2.378 1.00 0.00 C ATOM 981 C ALA A 62 4.921 -1.235 -3.383 1.00 0.00 C ATOM 982 O ALA A 62 4.953 -1.871 -4.435 1.00 0.00 O ATOM 983 CB ALA A 62 6.911 -0.059 -2.324 1.00 0.00 C ATOM 0 H ALA A 62 7.357 -2.393 -3.651 1.00 0.00 H new ATOM 0 HA ALA A 62 5.634 -1.481 -1.390 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.274 0.785 -2.058 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.696 -0.171 -1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.363 0.121 -3.299 1.00 0.00 H new ATOM 989 N ILE A 63 3.931 -0.432 -3.022 1.00 0.00 N ATOM 990 CA ILE A 63 2.773 -0.239 -3.878 1.00 0.00 C ATOM 991 C ILE A 63 2.457 1.255 -3.973 1.00 0.00 C ATOM 992 O ILE A 63 2.077 1.877 -2.982 1.00 0.00 O ATOM 993 CB ILE A 63 1.597 -1.087 -3.387 1.00 0.00 C ATOM 994 CG1 ILE A 63 1.962 -2.573 -3.370 1.00 0.00 C ATOM 995 CG2 ILE A 63 0.341 -0.814 -4.217 1.00 0.00 C ATOM 996 CD1 ILE A 63 1.084 -3.341 -2.381 1.00 0.00 C ATOM 0 H ILE A 63 3.907 0.093 -2.148 1.00 0.00 H new ATOM 0 HA ILE A 63 2.985 -0.585 -4.890 1.00 0.00 H new ATOM 0 HB ILE A 63 1.373 -0.799 -2.360 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.843 -2.992 -4.369 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.011 -2.691 -3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.480 -1.429 -3.848 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.072 0.239 -4.134 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.535 -1.057 -5.262 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.364 -4.394 -2.388 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.224 -2.935 -1.379 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.038 -3.241 -2.670 1.00 0.00 H new ATOM 1008 N HIS A 64 2.625 1.787 -5.175 1.00 0.00 N ATOM 1009 CA HIS A 64 2.362 3.196 -5.412 1.00 0.00 C ATOM 1010 C HIS A 64 0.925 3.526 -5.005 1.00 0.00 C ATOM 1011 O HIS A 64 -0.019 2.896 -5.480 1.00 0.00 O ATOM 1012 CB HIS A 64 2.668 3.569 -6.864 1.00 0.00 C ATOM 1013 CG HIS A 64 3.125 4.996 -7.049 1.00 0.00 C ATOM 1014 ND1 HIS A 64 2.436 5.909 -7.828 1.00 0.00 N ATOM 1015 CD2 HIS A 64 4.208 5.657 -6.547 1.00 0.00 C ATOM 1016 CE1 HIS A 64 3.085 7.064 -7.790 1.00 0.00 C ATOM 1017 NE2 HIS A 64 4.182 6.906 -6.996 1.00 0.00 N ATOM 0 H HIS A 64 2.940 1.268 -5.995 1.00 0.00 H new ATOM 0 HA HIS A 64 3.025 3.802 -4.795 1.00 0.00 H new ATOM 0 HB2 HIS A 64 3.439 2.899 -7.246 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.775 3.403 -7.467 1.00 0.00 H new ATOM 0 HD1 HIS A 64 1.575 5.725 -8.344 1.00 0.00 H new ATOM 0 HD2 HIS A 64 4.959 5.236 -5.895 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.796 7.972 -8.299 1.00 0.00 H new ATOM 1025 N LEU A 65 0.803 4.513 -4.130 1.00 0.00 N ATOM 1026 CA LEU A 65 -0.503 4.934 -3.654 1.00 0.00 C ATOM 1027 C LEU A 65 -0.820 6.325 -4.209 1.00 0.00 C ATOM 1028 O LEU A 65 -1.984 6.663 -4.418 1.00 0.00 O ATOM 1029 CB LEU A 65 -0.570 4.851 -2.128 1.00 0.00 C ATOM 1030 CG LEU A 65 -0.349 3.464 -1.521 1.00 0.00 C ATOM 1031 CD1 LEU A 65 -0.203 3.548 0.000 1.00 0.00 C ATOM 1032 CD2 LEU A 65 -1.461 2.500 -1.938 1.00 0.00 C ATOM 0 H LEU A 65 1.588 5.034 -3.738 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.277 4.260 -4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.176 5.530 -1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.546 5.215 -1.807 1.00 0.00 H new ATOM 0 HG LEU A 65 0.587 3.065 -1.912 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.047 2.549 0.406 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.651 4.178 0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.108 3.977 0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.280 1.521 -1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.422 2.883 -1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.474 2.408 -3.024 1.00 0.00 H new ATOM 1044 N ARG A 66 0.237 7.093 -4.431 1.00 0.00 N ATOM 1045 CA ARG A 66 0.086 8.438 -4.957 1.00 0.00 C ATOM 1046 C ARG A 66 -1.058 8.487 -5.972 1.00 0.00 C ATOM 1047 O ARG A 66 -1.935 9.344 -5.884 1.00 0.00 O ATOM 1048 CB ARG A 66 1.375 8.915 -5.629 1.00 0.00 C ATOM 1049 CG ARG A 66 2.509 9.043 -4.610 1.00 0.00 C ATOM 1050 CD ARG A 66 3.861 9.198 -5.311 1.00 0.00 C ATOM 1051 NE ARG A 66 4.584 10.368 -4.764 1.00 0.00 N ATOM 1052 CZ ARG A 66 4.246 11.641 -5.010 1.00 0.00 C ATOM 1053 NH1 ARG A 66 3.195 11.916 -5.795 1.00 0.00 N ATOM 1054 NH2 ARG A 66 4.960 12.640 -4.471 1.00 0.00 N ATOM 0 H ARG A 66 1.201 6.809 -4.256 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.139 9.097 -4.119 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.662 8.213 -6.412 1.00 0.00 H new ATOM 0 HB3 ARG A 66 1.204 9.878 -6.111 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.329 9.904 -3.966 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.527 8.162 -3.968 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.457 8.295 -5.174 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.712 9.321 -6.384 1.00 0.00 H new ATOM 0 HE ARG A 66 5.389 10.194 -4.163 1.00 0.00 H new ATOM 0 HH11 ARG A 66 2.652 11.156 -6.205 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.938 12.885 -5.982 1.00 0.00 H new ATOM 0 HH21 ARG A 66 5.760 12.431 -3.874 1.00 0.00 H new ATOM 0 HH22 ARG A 66 4.703 13.609 -4.658 1.00 0.00 H new ATOM 1068 N GLY A 67 -1.011 7.555 -6.913 1.00 0.00 N ATOM 1069 CA GLY A 67 -2.032 7.480 -7.944 1.00 0.00 C ATOM 1070 C GLY A 67 -2.633 6.075 -8.019 1.00 0.00 C ATOM 1071 O GLY A 67 -2.619 5.446 -9.076 1.00 0.00 O ATOM 0 H GLY A 67 -0.282 6.845 -6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.819 8.205 -7.735 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.600 7.747 -8.909 1.00 0.00 H new ATOM 1075 N CYS A 68 -3.148 5.624 -6.885 1.00 0.00 N ATOM 1076 CA CYS A 68 -3.752 4.305 -6.809 1.00 0.00 C ATOM 1077 C CYS A 68 -5.271 4.477 -6.739 1.00 0.00 C ATOM 1078 O CYS A 68 -5.773 5.600 -6.728 1.00 0.00 O ATOM 1079 CB CYS A 68 -3.213 3.503 -5.623 1.00 0.00 C ATOM 1080 SG CYS A 68 -3.817 4.225 -4.053 1.00 0.00 S ATOM 0 H CYS A 68 -3.159 6.149 -6.011 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.492 3.731 -7.698 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.532 2.464 -5.701 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -2.123 3.504 -5.638 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.133 5.295 -3.776 1.00 0.00 H new ATOM 1086 N VAL A 69 -5.961 3.346 -6.693 1.00 0.00 N ATOM 1087 CA VAL A 69 -7.412 3.357 -6.624 1.00 0.00 C ATOM 1088 C VAL A 69 -7.881 2.258 -5.669 1.00 0.00 C ATOM 1089 O VAL A 69 -7.311 1.169 -5.642 1.00 0.00 O ATOM 1090 CB VAL A 69 -8.003 3.221 -8.029 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -9.530 3.315 -7.992 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -7.412 4.266 -8.977 1.00 0.00 C ATOM 0 H VAL A 69 -5.541 2.416 -6.702 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.769 4.307 -6.226 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.737 2.235 -8.411 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.925 3.215 -9.003 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.929 2.517 -7.366 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.825 4.280 -7.580 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.849 4.147 -9.968 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.633 5.265 -8.601 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.332 4.132 -9.038 1.00 0.00 H new ATOM 1102 N VAL A 70 -8.917 2.582 -4.908 1.00 0.00 N ATOM 1103 CA VAL A 70 -9.469 1.636 -3.953 1.00 0.00 C ATOM 1104 C VAL A 70 -10.823 1.138 -4.461 1.00 0.00 C ATOM 1105 O VAL A 70 -11.623 1.919 -4.976 1.00 0.00 O ATOM 1106 CB VAL A 70 -9.550 2.279 -2.567 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -10.439 1.456 -1.633 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -8.155 2.470 -1.969 1.00 0.00 C ATOM 0 H VAL A 70 -9.388 3.486 -4.934 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.818 0.767 -3.856 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.003 3.264 -2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.480 1.934 -0.654 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.445 1.394 -2.049 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -10.027 0.452 -1.529 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.241 2.929 -0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.663 1.502 -1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.565 3.116 -2.620 1.00 0.00 H new ATOM 1118 N THR A 71 -11.039 -0.159 -4.299 1.00 0.00 N ATOM 1119 CA THR A 71 -12.283 -0.771 -4.735 1.00 0.00 C ATOM 1120 C THR A 71 -12.535 -2.071 -3.969 1.00 0.00 C ATOM 1121 O THR A 71 -11.699 -2.501 -3.176 1.00 0.00 O ATOM 1122 CB THR A 71 -12.210 -0.963 -6.251 1.00 0.00 C ATOM 1123 OG1 THR A 71 -13.570 -0.914 -6.673 1.00 0.00 O ATOM 1124 CG2 THR A 71 -11.749 -2.368 -6.642 1.00 0.00 C ATOM 0 H THR A 71 -10.374 -0.803 -3.872 1.00 0.00 H new ATOM 0 HA THR A 71 -13.137 -0.130 -4.515 1.00 0.00 H new ATOM 0 HB THR A 71 -11.529 -0.226 -6.677 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.615 -1.029 -7.645 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.715 -2.451 -7.728 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.756 -2.552 -6.233 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.448 -3.104 -6.244 1.00 0.00 H new ATOM 1132 N SER A 72 -13.691 -2.662 -4.234 1.00 0.00 N ATOM 1133 CA SER A 72 -14.063 -3.905 -3.580 1.00 0.00 C ATOM 1134 C SER A 72 -14.156 -5.032 -4.611 1.00 0.00 C ATOM 1135 O SER A 72 -14.565 -4.805 -5.749 1.00 0.00 O ATOM 1136 CB SER A 72 -15.391 -3.758 -2.833 1.00 0.00 C ATOM 1137 OG SER A 72 -15.812 -2.399 -2.755 1.00 0.00 O ATOM 0 H SER A 72 -14.382 -2.303 -4.893 1.00 0.00 H new ATOM 0 HA SER A 72 -13.292 -4.152 -2.850 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.158 -4.347 -3.337 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.288 -4.164 -1.827 1.00 0.00 H new ATOM 0 HG SER A 72 -16.664 -2.348 -2.273 1.00 0.00 H new ATOM 1143 N VAL A 73 -13.769 -6.222 -4.176 1.00 0.00 N ATOM 1144 CA VAL A 73 -13.804 -7.384 -5.047 1.00 0.00 C ATOM 1145 C VAL A 73 -15.258 -7.793 -5.288 1.00 0.00 C ATOM 1146 O VAL A 73 -16.172 -6.992 -5.094 1.00 0.00 O ATOM 1147 CB VAL A 73 -12.957 -8.511 -4.450 1.00 0.00 C ATOM 1148 CG1 VAL A 73 -11.536 -8.030 -4.152 1.00 0.00 C ATOM 1149 CG2 VAL A 73 -13.616 -9.084 -3.194 1.00 0.00 C ATOM 0 H VAL A 73 -13.430 -6.406 -3.232 1.00 0.00 H new ATOM 0 HA VAL A 73 -13.369 -7.146 -6.018 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.892 -9.309 -5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -10.956 -8.850 -3.729 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.066 -7.691 -5.075 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.573 -7.206 -3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.995 -9.883 -2.789 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.725 -8.296 -2.449 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.599 -9.482 -3.448 1.00 0.00 H new ATOM 1318 N GLU A 85 -12.828 -15.110 2.312 1.00 0.00 N ATOM 1319 CA GLU A 85 -13.327 -14.163 3.295 1.00 0.00 C ATOM 1320 C GLU A 85 -13.495 -12.780 2.663 1.00 0.00 C ATOM 1321 O GLU A 85 -13.767 -12.669 1.468 1.00 0.00 O ATOM 1322 CB GLU A 85 -12.405 -14.101 4.514 1.00 0.00 C ATOM 1323 CG GLU A 85 -11.938 -15.500 4.921 1.00 0.00 C ATOM 1324 CD GLU A 85 -11.387 -15.500 6.349 1.00 0.00 C ATOM 1325 OE1 GLU A 85 -10.302 -14.909 6.538 1.00 0.00 O ATOM 1326 OE2 GLU A 85 -12.062 -16.092 7.218 1.00 0.00 O ATOM 0 HA GLU A 85 -14.304 -14.505 3.637 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.540 -13.476 4.289 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.929 -13.632 5.347 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -12.770 -16.201 4.848 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -11.169 -15.846 4.230 1.00 0.00 H new ATOM 1333 N ASN A 86 -13.324 -11.761 3.492 1.00 0.00 N ATOM 1334 CA ASN A 86 -13.453 -10.390 3.029 1.00 0.00 C ATOM 1335 C ASN A 86 -12.163 -9.972 2.320 1.00 0.00 C ATOM 1336 O ASN A 86 -11.081 -10.042 2.902 1.00 0.00 O ATOM 1337 CB ASN A 86 -13.681 -9.432 4.200 1.00 0.00 C ATOM 1338 CG ASN A 86 -14.812 -9.929 5.102 1.00 0.00 C ATOM 1339 OD1 ASN A 86 -15.952 -10.070 4.692 1.00 0.00 O ATOM 1340 ND2 ASN A 86 -14.434 -10.186 6.351 1.00 0.00 N ATOM 0 H ASN A 86 -13.097 -11.857 4.482 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.306 -10.342 2.352 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -12.763 -9.336 4.780 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -13.923 -8.439 3.821 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.116 -10.523 7.031 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -13.463 -10.046 6.629 1.00 0.00 H new ATOM 1347 N LEU A 87 -12.320 -9.547 1.075 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.181 -9.118 0.282 1.00 0.00 C ATOM 1349 C LEU A 87 -11.507 -7.784 -0.392 1.00 0.00 C ATOM 1350 O LEU A 87 -12.583 -7.226 -0.182 1.00 0.00 O ATOM 1351 CB LEU A 87 -10.767 -10.217 -0.700 1.00 0.00 C ATOM 1352 CG LEU A 87 -11.556 -11.526 -0.613 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -11.574 -12.245 -1.963 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -11.014 -12.419 0.505 1.00 0.00 C ATOM 0 H LEU A 87 -13.219 -9.491 0.596 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.314 -8.950 0.921 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.861 -9.826 -1.713 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.712 -10.440 -0.541 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.589 -11.287 -0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.141 -13.172 -1.874 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.042 -11.604 -2.710 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.552 -12.472 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -11.592 -13.342 0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.968 -12.654 0.308 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.096 -11.898 1.459 1.00 0.00 H new ATOM 1366 N PHE A 88 -10.559 -7.310 -1.186 1.00 0.00 N ATOM 1367 CA PHE A 88 -10.732 -6.052 -1.891 1.00 0.00 C ATOM 1368 C PHE A 88 -9.622 -5.844 -2.923 1.00 0.00 C ATOM 1369 O PHE A 88 -8.500 -6.313 -2.737 1.00 0.00 O ATOM 1370 CB PHE A 88 -10.653 -4.938 -0.845 1.00 0.00 C ATOM 1371 CG PHE A 88 -9.438 -5.038 0.080 1.00 0.00 C ATOM 1372 CD1 PHE A 88 -8.206 -4.684 -0.376 1.00 0.00 C ATOM 1373 CD2 PHE A 88 -9.589 -5.479 1.357 1.00 0.00 C ATOM 1374 CE1 PHE A 88 -7.078 -4.776 0.481 1.00 0.00 C ATOM 1375 CE2 PHE A 88 -8.461 -5.571 2.215 1.00 0.00 C ATOM 1376 CZ PHE A 88 -7.230 -5.218 1.759 1.00 0.00 C ATOM 0 H PHE A 88 -9.667 -7.775 -1.357 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.686 -6.050 -2.417 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.630 -3.975 -1.356 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.560 -4.956 -0.240 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.086 -4.333 -1.390 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.567 -5.759 1.719 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.100 -4.495 0.119 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.581 -5.921 3.230 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.372 -5.288 2.411 1.00 0.00 H new ATOM 1386 N GLU A 89 -9.974 -5.142 -3.990 1.00 0.00 N ATOM 1387 CA GLU A 89 -9.021 -4.867 -5.053 1.00 0.00 C ATOM 1388 C GLU A 89 -8.459 -3.451 -4.908 1.00 0.00 C ATOM 1389 O GLU A 89 -9.197 -2.515 -4.605 1.00 0.00 O ATOM 1390 CB GLU A 89 -9.662 -5.065 -6.428 1.00 0.00 C ATOM 1391 CG GLU A 89 -8.657 -4.782 -7.547 1.00 0.00 C ATOM 1392 CD GLU A 89 -9.355 -4.194 -8.775 1.00 0.00 C ATOM 1393 OE1 GLU A 89 -9.789 -3.026 -8.677 1.00 0.00 O ATOM 1394 OE2 GLU A 89 -9.438 -4.927 -9.785 1.00 0.00 O ATOM 0 H GLU A 89 -10.906 -4.755 -4.142 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.196 -5.575 -4.968 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.033 -6.086 -6.517 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.522 -4.404 -6.531 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.896 -4.088 -7.190 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.145 -5.704 -7.822 1.00 0.00 H new ATOM 1401 N ILE A 90 -7.158 -3.340 -5.132 1.00 0.00 N ATOM 1402 CA ILE A 90 -6.489 -2.054 -5.030 1.00 0.00 C ATOM 1403 C ILE A 90 -5.617 -1.839 -6.269 1.00 0.00 C ATOM 1404 O ILE A 90 -4.587 -2.492 -6.428 1.00 0.00 O ATOM 1405 CB ILE A 90 -5.720 -1.953 -3.711 1.00 0.00 C ATOM 1406 CG1 ILE A 90 -6.670 -2.028 -2.515 1.00 0.00 C ATOM 1407 CG2 ILE A 90 -4.853 -0.693 -3.677 1.00 0.00 C ATOM 1408 CD1 ILE A 90 -5.896 -1.989 -1.196 1.00 0.00 C ATOM 0 H ILE A 90 -6.549 -4.119 -5.384 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.219 -1.245 -5.009 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.048 -2.808 -3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.374 -1.196 -2.552 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -7.257 -2.945 -2.569 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.317 -0.645 -2.729 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.136 -0.722 -4.498 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.487 0.188 -3.780 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.596 -2.044 -0.362 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.211 -2.835 -1.151 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.329 -1.060 -1.134 1.00 0.00 H new ATOM 1420 N ILE A 91 -6.061 -0.920 -7.113 1.00 0.00 N ATOM 1421 CA ILE A 91 -5.334 -0.610 -8.333 1.00 0.00 C ATOM 1422 C ILE A 91 -4.307 0.487 -8.044 1.00 0.00 C ATOM 1423 O ILE A 91 -4.579 1.411 -7.280 1.00 0.00 O ATOM 1424 CB ILE A 91 -6.306 -0.261 -9.462 1.00 0.00 C ATOM 1425 CG1 ILE A 91 -7.448 -1.277 -9.536 1.00 0.00 C ATOM 1426 CG2 ILE A 91 -5.570 -0.128 -10.797 1.00 0.00 C ATOM 1427 CD1 ILE A 91 -8.805 -0.573 -9.592 1.00 0.00 C ATOM 0 H ILE A 91 -6.915 -0.380 -6.977 1.00 0.00 H new ATOM 0 HA ILE A 91 -4.780 -1.483 -8.679 1.00 0.00 H new ATOM 0 HB ILE A 91 -6.752 0.709 -9.242 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.324 -1.906 -10.418 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.411 -1.935 -8.668 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.284 0.120 -11.583 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -4.822 0.662 -10.723 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.079 -1.071 -11.037 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.599 -1.318 -9.644 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.936 0.036 -8.697 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.848 0.065 -10.475 1.00 0.00 H new ATOM 1439 N THR A 92 -3.148 0.348 -8.672 1.00 0.00 N ATOM 1440 CA THR A 92 -2.079 1.315 -8.492 1.00 0.00 C ATOM 1441 C THR A 92 -1.966 2.219 -9.721 1.00 0.00 C ATOM 1442 O THR A 92 -2.728 2.073 -10.676 1.00 0.00 O ATOM 1443 CB THR A 92 -0.793 0.547 -8.182 1.00 0.00 C ATOM 1444 OG1 THR A 92 -0.699 -0.410 -9.234 1.00 0.00 O ATOM 1445 CG2 THR A 92 -0.909 -0.302 -6.915 1.00 0.00 C ATOM 0 H THR A 92 -2.926 -0.420 -9.306 1.00 0.00 H new ATOM 0 HA THR A 92 -2.286 1.982 -7.655 1.00 0.00 H new ATOM 0 HB THR A 92 0.033 1.250 -8.073 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.197 -0.374 -9.630 1.00 0.00 H new ATOM 0 HG21 THR A 92 0.031 -0.826 -6.741 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.128 0.343 -6.064 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.713 -1.029 -7.036 1.00 0.00 H new ATOM 1453 N ALA A 93 -1.009 3.134 -9.658 1.00 0.00 N ATOM 1454 CA ALA A 93 -0.786 4.061 -10.754 1.00 0.00 C ATOM 1455 C ALA A 93 -0.318 3.285 -11.986 1.00 0.00 C ATOM 1456 O ALA A 93 -0.335 3.810 -13.098 1.00 0.00 O ATOM 1457 CB ALA A 93 0.219 5.130 -10.322 1.00 0.00 C ATOM 0 H ALA A 93 -0.379 3.253 -8.864 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.712 4.572 -11.019 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.386 5.826 -11.144 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.174 5.673 -9.462 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.162 4.655 -10.051 1.00 0.00 H new ATOM 1463 N ASP A 94 0.088 2.046 -11.747 1.00 0.00 N ATOM 1464 CA ASP A 94 0.560 1.192 -12.824 1.00 0.00 C ATOM 1465 C ASP A 94 -0.581 0.282 -13.284 1.00 0.00 C ATOM 1466 O ASP A 94 -0.406 -0.527 -14.194 1.00 0.00 O ATOM 1467 CB ASP A 94 1.714 0.304 -12.357 1.00 0.00 C ATOM 1468 CG ASP A 94 3.112 0.847 -12.662 1.00 0.00 C ATOM 1469 OD1 ASP A 94 3.395 1.042 -13.864 1.00 0.00 O ATOM 1470 OD2 ASP A 94 3.866 1.054 -11.687 1.00 0.00 O ATOM 0 H ASP A 94 0.100 1.613 -10.823 1.00 0.00 H new ATOM 0 HA ASP A 94 0.904 1.832 -13.636 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.625 0.155 -11.281 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.611 -0.675 -12.824 1.00 0.00 H new ATOM 1475 N GLU A 95 -1.724 0.444 -12.633 1.00 0.00 N ATOM 1476 CA GLU A 95 -2.892 -0.354 -12.964 1.00 0.00 C ATOM 1477 C GLU A 95 -2.775 -1.749 -12.346 1.00 0.00 C ATOM 1478 O GLU A 95 -3.615 -2.613 -12.592 1.00 0.00 O ATOM 1479 CB GLU A 95 -3.087 -0.439 -14.479 1.00 0.00 C ATOM 1480 CG GLU A 95 -2.711 0.881 -15.155 1.00 0.00 C ATOM 1481 CD GLU A 95 -3.488 1.070 -16.460 1.00 0.00 C ATOM 1482 OE1 GLU A 95 -3.730 0.042 -17.129 1.00 0.00 O ATOM 1483 OE2 GLU A 95 -3.822 2.237 -16.757 1.00 0.00 O ATOM 0 H GLU A 95 -1.866 1.116 -11.879 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.772 0.134 -12.545 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.476 -1.246 -14.883 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.125 -0.683 -14.702 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.919 1.711 -14.480 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.640 0.897 -15.359 1.00 0.00 H new ATOM 1490 N VAL A 96 -1.726 -1.926 -11.557 1.00 0.00 N ATOM 1491 CA VAL A 96 -1.488 -3.201 -10.903 1.00 0.00 C ATOM 1492 C VAL A 96 -2.629 -3.489 -9.925 1.00 0.00 C ATOM 1493 O VAL A 96 -2.996 -2.630 -9.124 1.00 0.00 O ATOM 1494 CB VAL A 96 -0.113 -3.197 -10.232 1.00 0.00 C ATOM 1495 CG1 VAL A 96 0.254 -4.592 -9.724 1.00 0.00 C ATOM 1496 CG2 VAL A 96 0.959 -2.660 -11.183 1.00 0.00 C ATOM 0 H VAL A 96 -1.031 -1.207 -11.356 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.475 -4.008 -11.635 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.162 -2.530 -9.371 1.00 0.00 H new ATOM 0 HG11 VAL A 96 1.236 -4.561 -9.252 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.488 -4.921 -8.997 1.00 0.00 H new ATOM 0 HG13 VAL A 96 0.276 -5.290 -10.561 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.927 -2.668 -10.682 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.006 -3.290 -12.072 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.709 -1.640 -11.474 1.00 0.00 H new ATOM 1506 N HIS A 97 -3.158 -4.700 -10.022 1.00 0.00 N ATOM 1507 CA HIS A 97 -4.250 -5.111 -9.156 1.00 0.00 C ATOM 1508 C HIS A 97 -3.713 -6.025 -8.053 1.00 0.00 C ATOM 1509 O HIS A 97 -2.880 -6.892 -8.310 1.00 0.00 O ATOM 1510 CB HIS A 97 -5.373 -5.759 -9.969 1.00 0.00 C ATOM 1511 CG HIS A 97 -5.814 -4.947 -11.163 1.00 0.00 C ATOM 1512 ND1 HIS A 97 -7.068 -4.369 -11.254 1.00 0.00 N ATOM 1513 CD2 HIS A 97 -5.156 -4.622 -12.312 1.00 0.00 C ATOM 1514 CE1 HIS A 97 -7.151 -3.728 -12.411 1.00 0.00 C ATOM 1515 NE2 HIS A 97 -5.965 -3.887 -13.066 1.00 0.00 N ATOM 0 H HIS A 97 -2.851 -5.410 -10.687 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.687 -4.236 -8.674 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -5.041 -6.739 -10.312 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.231 -5.923 -9.317 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -7.804 -4.427 -10.550 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.147 -4.913 -12.566 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -8.007 -3.177 -12.772 1.00 0.00 H new ATOM 1523 N TYR A 98 -4.213 -5.799 -6.847 1.00 0.00 N ATOM 1524 CA TYR A 98 -3.794 -6.591 -5.703 1.00 0.00 C ATOM 1525 C TYR A 98 -5.001 -7.053 -4.884 1.00 0.00 C ATOM 1526 O TYR A 98 -5.904 -6.266 -4.603 1.00 0.00 O ATOM 1527 CB TYR A 98 -2.934 -5.665 -4.841 1.00 0.00 C ATOM 1528 CG TYR A 98 -1.548 -5.380 -5.425 1.00 0.00 C ATOM 1529 CD1 TYR A 98 -0.572 -6.355 -5.393 1.00 0.00 C ATOM 1530 CD2 TYR A 98 -1.275 -4.148 -5.984 1.00 0.00 C ATOM 1531 CE1 TYR A 98 0.731 -6.088 -5.943 1.00 0.00 C ATOM 1532 CE2 TYR A 98 0.029 -3.881 -6.534 1.00 0.00 C ATOM 1533 CZ TYR A 98 0.968 -4.864 -6.486 1.00 0.00 C ATOM 1534 OH TYR A 98 2.199 -4.611 -7.005 1.00 0.00 O ATOM 0 H TYR A 98 -4.904 -5.079 -6.637 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.254 -7.480 -6.029 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.460 -4.720 -4.704 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.816 -6.111 -3.853 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -0.786 -7.319 -4.955 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -2.039 -3.385 -6.009 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.503 -6.843 -5.925 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.256 -2.922 -6.975 1.00 0.00 H new ATOM 0 HH TYR A 98 2.223 -3.698 -7.359 1.00 0.00 H new ATOM 1544 N PHE A 99 -4.979 -8.328 -4.525 1.00 0.00 N ATOM 1545 CA PHE A 99 -6.061 -8.905 -3.745 1.00 0.00 C ATOM 1546 C PHE A 99 -5.591 -9.255 -2.331 1.00 0.00 C ATOM 1547 O PHE A 99 -4.842 -10.212 -2.141 1.00 0.00 O ATOM 1548 CB PHE A 99 -6.492 -10.188 -4.458 1.00 0.00 C ATOM 1549 CG PHE A 99 -7.223 -9.948 -5.781 1.00 0.00 C ATOM 1550 CD1 PHE A 99 -8.514 -9.520 -5.777 1.00 0.00 C ATOM 1551 CD2 PHE A 99 -6.582 -10.164 -6.961 1.00 0.00 C ATOM 1552 CE1 PHE A 99 -9.192 -9.298 -7.004 1.00 0.00 C ATOM 1553 CE2 PHE A 99 -7.260 -9.941 -8.188 1.00 0.00 C ATOM 1554 CZ PHE A 99 -8.551 -9.513 -8.184 1.00 0.00 C ATOM 0 H PHE A 99 -4.229 -8.978 -4.760 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.881 -8.191 -3.661 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -5.610 -10.800 -4.648 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.141 -10.760 -3.795 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -9.023 -9.349 -4.840 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -5.557 -10.505 -6.964 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -10.217 -8.958 -7.001 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.751 -10.111 -9.125 1.00 0.00 H new ATOM 0 HZ PHE A 99 -9.067 -9.344 -9.118 1.00 0.00 H new ATOM 1564 N LEU A 100 -6.050 -8.460 -1.376 1.00 0.00 N ATOM 1565 CA LEU A 100 -5.686 -8.674 0.015 1.00 0.00 C ATOM 1566 C LEU A 100 -6.935 -9.054 0.812 1.00 0.00 C ATOM 1567 O LEU A 100 -7.950 -8.363 0.748 1.00 0.00 O ATOM 1568 CB LEU A 100 -4.950 -7.452 0.570 1.00 0.00 C ATOM 1569 CG LEU A 100 -3.857 -6.864 -0.324 1.00 0.00 C ATOM 1570 CD1 LEU A 100 -2.827 -7.929 -0.705 1.00 0.00 C ATOM 1571 CD2 LEU A 100 -4.461 -6.185 -1.555 1.00 0.00 C ATOM 0 H LEU A 100 -6.671 -7.667 -1.537 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.987 -9.506 0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.684 -6.672 0.773 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.502 -7.725 1.525 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.331 -6.095 0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.062 -7.484 -1.341 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.363 -8.326 0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.322 -8.737 -1.244 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.662 -5.776 -2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.028 -6.915 -2.132 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.123 -5.380 -1.238 1.00 0.00 H new ATOM 1583 N GLN A 101 -6.819 -10.153 1.543 1.00 0.00 N ATOM 1584 CA GLN A 101 -7.927 -10.634 2.351 1.00 0.00 C ATOM 1585 C GLN A 101 -7.817 -10.092 3.778 1.00 0.00 C ATOM 1586 O GLN A 101 -6.768 -10.208 4.411 1.00 0.00 O ATOM 1587 CB GLN A 101 -7.985 -12.162 2.348 1.00 0.00 C ATOM 1588 CG GLN A 101 -9.128 -12.670 3.230 1.00 0.00 C ATOM 1589 CD GLN A 101 -8.723 -13.945 3.972 1.00 0.00 C ATOM 1590 OE1 GLN A 101 -8.215 -13.914 5.081 1.00 0.00 O ATOM 1591 NE2 GLN A 101 -8.975 -15.065 3.301 1.00 0.00 N ATOM 0 H GLN A 101 -5.975 -10.724 1.593 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.856 -10.268 1.914 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.120 -12.522 1.328 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.038 -12.566 2.706 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.407 -11.900 3.949 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.007 -12.866 2.616 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -9.402 -15.020 2.376 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.741 -15.969 3.711 1.00 0.00 H new ATOM 1600 N ALA A 102 -8.914 -9.513 4.243 1.00 0.00 N ATOM 1601 CA ALA A 102 -8.954 -8.953 5.584 1.00 0.00 C ATOM 1602 C ALA A 102 -9.609 -9.959 6.532 1.00 0.00 C ATOM 1603 O ALA A 102 -10.746 -10.374 6.313 1.00 0.00 O ATOM 1604 CB ALA A 102 -9.690 -7.612 5.556 1.00 0.00 C ATOM 0 H ALA A 102 -9.782 -9.419 3.716 1.00 0.00 H new ATOM 0 HA ALA A 102 -7.945 -8.763 5.951 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -9.720 -7.192 6.562 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.168 -6.924 4.891 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.708 -7.763 5.195 1.00 0.00 H new ATOM 1610 N ALA A 103 -8.864 -10.321 7.566 1.00 0.00 N ATOM 1611 CA ALA A 103 -9.359 -11.270 8.549 1.00 0.00 C ATOM 1612 C ALA A 103 -10.830 -10.970 8.846 1.00 0.00 C ATOM 1613 O ALA A 103 -11.702 -11.794 8.578 1.00 0.00 O ATOM 1614 CB ALA A 103 -8.486 -11.208 9.804 1.00 0.00 C ATOM 0 H ALA A 103 -7.921 -9.974 7.745 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.302 -12.288 8.162 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.857 -11.920 10.541 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.457 -11.458 9.544 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.520 -10.202 10.222 1.00 0.00 H new ATOM 1620 N THR A 104 -11.059 -9.787 9.397 1.00 0.00 N ATOM 1621 CA THR A 104 -12.409 -9.367 9.733 1.00 0.00 C ATOM 1622 C THR A 104 -13.015 -8.552 8.589 1.00 0.00 C ATOM 1623 O THR A 104 -12.298 -8.089 7.704 1.00 0.00 O ATOM 1624 CB THR A 104 -12.350 -8.604 11.058 1.00 0.00 C ATOM 1625 OG1 THR A 104 -11.159 -7.828 10.959 1.00 0.00 O ATOM 1626 CG2 THR A 104 -12.097 -9.524 12.254 1.00 0.00 C ATOM 0 H THR A 104 -10.333 -9.106 9.619 1.00 0.00 H new ATOM 0 HA THR A 104 -13.069 -10.225 9.864 1.00 0.00 H new ATOM 0 HB THR A 104 -13.285 -8.064 11.207 1.00 0.00 H new ATOM 0 HG1 THR A 104 -11.044 -7.300 11.776 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.064 -8.932 13.168 1.00 0.00 H new ATOM 0 HG22 THR A 104 -12.900 -10.257 12.325 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.146 -10.039 12.122 1.00 0.00 H new ATOM 1634 N PRO A 105 -14.366 -8.399 8.646 1.00 0.00 N ATOM 1635 CA PRO A 105 -15.077 -7.648 7.625 1.00 0.00 C ATOM 1636 C PRO A 105 -14.863 -6.143 7.802 1.00 0.00 C ATOM 1637 O PRO A 105 -15.130 -5.363 6.889 1.00 0.00 O ATOM 1638 CB PRO A 105 -16.531 -8.063 7.774 1.00 0.00 C ATOM 1639 CG PRO A 105 -16.652 -8.670 9.162 1.00 0.00 C ATOM 1640 CD PRO A 105 -15.247 -8.933 9.679 1.00 0.00 C ATOM 0 HA PRO A 105 -14.717 -7.861 6.618 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.195 -7.206 7.664 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -16.812 -8.784 7.007 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.184 -7.993 9.830 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -17.225 -9.597 9.125 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -15.079 -8.440 10.637 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.075 -9.998 9.834 1.00 0.00 H new ATOM 1648 N LYS A 106 -14.384 -5.781 8.983 1.00 0.00 N ATOM 1649 CA LYS A 106 -14.132 -4.384 9.291 1.00 0.00 C ATOM 1650 C LYS A 106 -12.799 -3.962 8.670 1.00 0.00 C ATOM 1651 O LYS A 106 -12.718 -2.929 8.006 1.00 0.00 O ATOM 1652 CB LYS A 106 -14.209 -4.145 10.801 1.00 0.00 C ATOM 1653 CG LYS A 106 -14.133 -2.652 11.125 1.00 0.00 C ATOM 1654 CD LYS A 106 -15.530 -2.061 11.323 1.00 0.00 C ATOM 1655 CE LYS A 106 -15.731 -0.823 10.447 1.00 0.00 C ATOM 1656 NZ LYS A 106 -17.079 -0.250 10.661 1.00 0.00 N ATOM 0 H LYS A 106 -14.164 -6.431 9.738 1.00 0.00 H new ATOM 0 HA LYS A 106 -14.904 -3.752 8.852 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -15.139 -4.558 11.191 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.393 -4.670 11.298 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.540 -2.502 12.027 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -13.623 -2.127 10.317 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -16.283 -2.810 11.079 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -15.672 -1.796 12.371 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -14.971 -0.077 10.681 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -15.605 -1.088 9.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -17.199 0.589 10.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -17.800 -0.958 10.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -17.186 0.022 11.659 1.00 0.00 H new ATOM 1670 N GLU A 107 -11.785 -4.782 8.908 1.00 0.00 N ATOM 1671 CA GLU A 107 -10.460 -4.506 8.380 1.00 0.00 C ATOM 1672 C GLU A 107 -10.537 -4.205 6.882 1.00 0.00 C ATOM 1673 O GLU A 107 -9.977 -3.214 6.415 1.00 0.00 O ATOM 1674 CB GLU A 107 -9.507 -5.671 8.657 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.048 -5.231 8.513 1.00 0.00 C ATOM 1676 CD GLU A 107 -7.536 -4.600 9.810 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -8.327 -3.857 10.430 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -6.365 -4.875 10.150 1.00 0.00 O ATOM 0 H GLU A 107 -11.855 -5.637 9.459 1.00 0.00 H new ATOM 0 HA GLU A 107 -10.064 -3.626 8.887 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.678 -6.054 9.663 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.714 -6.488 7.966 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.429 -6.090 8.253 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.959 -4.515 7.696 1.00 0.00 H new ATOM 1685 N ARG A 108 -11.236 -5.077 6.171 1.00 0.00 N ATOM 1686 CA ARG A 108 -11.394 -4.917 4.735 1.00 0.00 C ATOM 1687 C ARG A 108 -11.823 -3.486 4.405 1.00 0.00 C ATOM 1688 O ARG A 108 -11.301 -2.877 3.472 1.00 0.00 O ATOM 1689 CB ARG A 108 -12.433 -5.894 4.183 1.00 0.00 C ATOM 1690 CG ARG A 108 -12.734 -5.600 2.712 1.00 0.00 C ATOM 1691 CD ARG A 108 -14.227 -5.342 2.499 1.00 0.00 C ATOM 1692 NE ARG A 108 -14.445 -3.935 2.094 1.00 0.00 N ATOM 1693 CZ ARG A 108 -15.637 -3.428 1.753 1.00 0.00 C ATOM 1694 NH1 ARG A 108 -16.727 -4.208 1.766 1.00 0.00 N ATOM 1695 NH2 ARG A 108 -15.741 -2.140 1.398 1.00 0.00 N ATOM 0 H ARG A 108 -11.700 -5.897 6.562 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.431 -5.128 4.270 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.068 -6.916 4.286 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.351 -5.823 4.767 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.161 -4.732 2.386 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -12.415 -6.441 2.097 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -14.615 -6.014 1.733 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -14.776 -5.554 3.417 1.00 0.00 H new ATOM 0 HE ARG A 108 -13.637 -3.313 2.073 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -16.649 -5.189 2.036 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -17.634 -3.821 1.506 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -14.912 -1.545 1.387 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -16.649 -1.754 1.138 1.00 0.00 H new ATOM 1709 N THR A 109 -12.770 -2.990 5.189 1.00 0.00 N ATOM 1710 CA THR A 109 -13.275 -1.642 4.992 1.00 0.00 C ATOM 1711 C THR A 109 -12.238 -0.612 5.444 1.00 0.00 C ATOM 1712 O THR A 109 -11.916 0.316 4.704 1.00 0.00 O ATOM 1713 CB THR A 109 -14.610 -1.525 5.730 1.00 0.00 C ATOM 1714 OG1 THR A 109 -15.581 -1.877 4.749 1.00 0.00 O ATOM 1715 CG2 THR A 109 -14.953 -0.079 6.093 1.00 0.00 C ATOM 0 H THR A 109 -13.200 -3.498 5.962 1.00 0.00 H new ATOM 0 HA THR A 109 -13.452 -1.436 3.936 1.00 0.00 H new ATOM 0 HB THR A 109 -14.578 -2.129 6.637 1.00 0.00 H new ATOM 0 HG1 THR A 109 -16.477 -1.829 5.144 1.00 0.00 H new ATOM 0 HG21 THR A 109 -15.910 -0.052 6.615 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.175 0.328 6.739 1.00 0.00 H new ATOM 0 HG23 THR A 109 -15.019 0.519 5.184 1.00 0.00 H new ATOM 1723 N GLU A 110 -11.743 -0.811 6.657 1.00 0.00 N ATOM 1724 CA GLU A 110 -10.749 0.089 7.216 1.00 0.00 C ATOM 1725 C GLU A 110 -9.574 0.249 6.250 1.00 0.00 C ATOM 1726 O GLU A 110 -9.244 1.363 5.846 1.00 0.00 O ATOM 1727 CB GLU A 110 -10.271 -0.404 8.583 1.00 0.00 C ATOM 1728 CG GLU A 110 -11.364 -0.235 9.640 1.00 0.00 C ATOM 1729 CD GLU A 110 -10.767 0.183 10.985 1.00 0.00 C ATOM 1730 OE1 GLU A 110 -10.579 1.405 11.168 1.00 0.00 O ATOM 1731 OE2 GLU A 110 -10.512 -0.729 11.801 1.00 0.00 O ATOM 0 H GLU A 110 -12.012 -1.582 7.268 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.211 1.066 7.359 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -9.985 -1.454 8.515 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -9.382 0.150 8.883 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -12.082 0.515 9.308 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -11.910 -1.171 9.756 1.00 0.00 H new ATOM 1738 N TRP A 111 -8.973 -0.882 5.906 1.00 0.00 N ATOM 1739 CA TRP A 111 -7.842 -0.881 4.995 1.00 0.00 C ATOM 1740 C TRP A 111 -8.164 0.072 3.842 1.00 0.00 C ATOM 1741 O TRP A 111 -7.440 1.039 3.611 1.00 0.00 O ATOM 1742 CB TRP A 111 -7.516 -2.300 4.524 1.00 0.00 C ATOM 1743 CG TRP A 111 -6.406 -2.982 5.326 1.00 0.00 C ATOM 1744 CD1 TRP A 111 -6.425 -4.196 5.892 1.00 0.00 C ATOM 1745 CD2 TRP A 111 -5.105 -2.437 5.630 1.00 0.00 C ATOM 1746 NE1 TRP A 111 -5.236 -4.473 6.536 1.00 0.00 N ATOM 1747 CE2 TRP A 111 -4.408 -3.368 6.371 1.00 0.00 C ATOM 1748 CE3 TRP A 111 -4.536 -1.197 5.289 1.00 0.00 C ATOM 1749 CZ2 TRP A 111 -3.104 -3.159 6.835 1.00 0.00 C ATOM 1750 CZ3 TRP A 111 -3.232 -1.003 5.760 1.00 0.00 C ATOM 1751 CH2 TRP A 111 -2.517 -1.931 6.508 1.00 0.00 C ATOM 0 H TRP A 111 -9.249 -1.805 6.242 1.00 0.00 H new ATOM 0 HA TRP A 111 -6.942 -0.527 5.498 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -8.419 -2.908 4.583 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -7.223 -2.265 3.475 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -7.265 -4.873 5.850 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -5.007 -5.330 7.040 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -5.063 -0.453 4.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.579 -3.905 7.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -2.748 -0.067 5.526 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -1.513 -1.706 6.836 1.00 0.00 H new ATOM 1762 N ILE A 112 -9.251 -0.234 3.149 1.00 0.00 N ATOM 1763 CA ILE A 112 -9.678 0.583 2.026 1.00 0.00 C ATOM 1764 C ILE A 112 -9.499 2.061 2.379 1.00 0.00 C ATOM 1765 O ILE A 112 -8.675 2.751 1.781 1.00 0.00 O ATOM 1766 CB ILE A 112 -11.104 0.219 1.610 1.00 0.00 C ATOM 1767 CG1 ILE A 112 -11.103 -0.907 0.574 1.00 0.00 C ATOM 1768 CG2 ILE A 112 -11.863 1.452 1.115 1.00 0.00 C ATOM 1769 CD1 ILE A 112 -12.232 -1.903 0.844 1.00 0.00 C ATOM 0 H ILE A 112 -9.849 -1.037 3.344 1.00 0.00 H new ATOM 0 HA ILE A 112 -9.056 0.385 1.153 1.00 0.00 H new ATOM 0 HB ILE A 112 -11.631 -0.152 2.489 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -11.216 -0.486 -0.425 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -10.144 -1.425 0.596 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -12.874 1.165 0.826 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -11.911 2.194 1.912 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -11.346 1.876 0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -12.208 -2.693 0.093 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -12.103 -2.340 1.834 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -13.191 -1.387 0.798 1.00 0.00 H new ATOM 1781 N LYS A 113 -10.284 2.504 3.351 1.00 0.00 N ATOM 1782 CA LYS A 113 -10.223 3.887 3.791 1.00 0.00 C ATOM 1783 C LYS A 113 -8.787 4.224 4.200 1.00 0.00 C ATOM 1784 O LYS A 113 -8.357 5.370 4.080 1.00 0.00 O ATOM 1785 CB LYS A 113 -11.253 4.145 4.892 1.00 0.00 C ATOM 1786 CG LYS A 113 -12.587 3.473 4.563 1.00 0.00 C ATOM 1787 CD LYS A 113 -13.742 4.157 5.298 1.00 0.00 C ATOM 1788 CE LYS A 113 -13.596 4.000 6.813 1.00 0.00 C ATOM 1789 NZ LYS A 113 -14.620 4.802 7.518 1.00 0.00 N ATOM 0 H LYS A 113 -10.966 1.929 3.846 1.00 0.00 H new ATOM 0 HA LYS A 113 -10.489 4.559 2.975 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -10.876 3.768 5.843 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -11.402 5.218 5.011 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.762 3.511 3.488 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.546 2.420 4.842 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -13.767 5.215 5.039 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -14.690 3.727 4.974 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -13.696 2.950 7.087 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -12.600 4.317 7.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -14.507 4.684 8.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -14.506 5.806 7.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -15.568 4.481 7.235 1.00 0.00 H new ATOM 1803 N ALA A 114 -8.086 3.205 4.675 1.00 0.00 N ATOM 1804 CA ALA A 114 -6.709 3.379 5.103 1.00 0.00 C ATOM 1805 C ALA A 114 -5.858 3.810 3.906 1.00 0.00 C ATOM 1806 O ALA A 114 -5.213 4.856 3.943 1.00 0.00 O ATOM 1807 CB ALA A 114 -6.204 2.083 5.740 1.00 0.00 C ATOM 0 H ALA A 114 -8.446 2.256 4.773 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.638 4.162 5.858 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.171 2.214 6.061 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.823 1.836 6.602 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.258 1.274 5.011 1.00 0.00 H new ATOM 1813 N ILE A 115 -5.885 2.980 2.873 1.00 0.00 N ATOM 1814 CA ILE A 115 -5.124 3.262 1.668 1.00 0.00 C ATOM 1815 C ILE A 115 -5.572 4.606 1.089 1.00 0.00 C ATOM 1816 O ILE A 115 -4.748 5.392 0.626 1.00 0.00 O ATOM 1817 CB ILE A 115 -5.236 2.100 0.679 1.00 0.00 C ATOM 1818 CG1 ILE A 115 -4.350 0.928 1.108 1.00 0.00 C ATOM 1819 CG2 ILE A 115 -4.927 2.560 -0.747 1.00 0.00 C ATOM 1820 CD1 ILE A 115 -5.179 -0.170 1.776 1.00 0.00 C ATOM 0 H ILE A 115 -6.422 2.113 2.846 1.00 0.00 H new ATOM 0 HA ILE A 115 -4.063 3.352 1.901 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.266 1.745 0.686 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -3.834 0.521 0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -3.583 1.281 1.798 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -5.014 1.714 -1.429 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -5.634 3.337 -1.040 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -3.913 2.957 -0.789 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -4.525 -0.991 2.071 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -5.675 0.234 2.659 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -5.929 -0.537 1.075 1.00 0.00 H new ATOM 1832 N GLN A 116 -6.878 4.828 1.136 1.00 0.00 N ATOM 1833 CA GLN A 116 -7.445 6.064 0.623 1.00 0.00 C ATOM 1834 C GLN A 116 -6.877 7.264 1.382 1.00 0.00 C ATOM 1835 O GLN A 116 -6.411 8.225 0.771 1.00 0.00 O ATOM 1836 CB GLN A 116 -8.973 6.039 0.701 1.00 0.00 C ATOM 1837 CG GLN A 116 -9.540 4.824 -0.037 1.00 0.00 C ATOM 1838 CD GLN A 116 -10.532 5.253 -1.120 1.00 0.00 C ATOM 1839 OE1 GLN A 116 -10.339 6.232 -1.822 1.00 0.00 O ATOM 1840 NE2 GLN A 116 -11.602 4.469 -1.215 1.00 0.00 N ATOM 0 H GLN A 116 -7.559 4.173 1.521 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.169 6.160 -0.427 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -9.287 6.014 1.744 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -9.378 6.954 0.268 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.726 4.256 -0.489 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -10.035 4.162 0.673 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -11.701 3.665 -0.596 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -12.323 4.672 -1.907 1.00 0.00 H new ATOM 1849 N MET A 117 -6.935 7.171 2.702 1.00 0.00 N ATOM 1850 CA MET A 117 -6.432 8.238 3.551 1.00 0.00 C ATOM 1851 C MET A 117 -5.017 8.647 3.137 1.00 0.00 C ATOM 1852 O MET A 117 -4.708 9.835 3.059 1.00 0.00 O ATOM 1853 CB MET A 117 -6.423 7.770 5.008 1.00 0.00 C ATOM 1854 CG MET A 117 -5.009 7.816 5.589 1.00 0.00 C ATOM 1855 SD MET A 117 -5.056 7.466 7.339 1.00 0.00 S ATOM 1856 CE MET A 117 -5.685 5.795 7.303 1.00 0.00 C ATOM 0 H MET A 117 -7.323 6.373 3.205 1.00 0.00 H new ATOM 0 HA MET A 117 -7.086 9.103 3.442 1.00 0.00 H new ATOM 0 HB2 MET A 117 -7.084 8.402 5.601 1.00 0.00 H new ATOM 0 HB3 MET A 117 -6.813 6.754 5.070 1.00 0.00 H new ATOM 0 HG2 MET A 117 -4.375 7.089 5.081 1.00 0.00 H new ATOM 0 HG3 MET A 117 -4.568 8.798 5.418 1.00 0.00 H new ATOM 0 HE1 MET A 117 -5.546 5.333 8.280 1.00 0.00 H new ATOM 0 HE2 MET A 117 -6.747 5.811 7.057 1.00 0.00 H new ATOM 0 HE3 MET A 117 -5.147 5.220 6.549 1.00 0.00 H new ATOM 1866 N ALA A 118 -4.195 7.639 2.882 1.00 0.00 N ATOM 1867 CA ALA A 118 -2.820 7.880 2.478 1.00 0.00 C ATOM 1868 C ALA A 118 -2.796 8.353 1.023 1.00 0.00 C ATOM 1869 O ALA A 118 -2.322 9.450 0.731 1.00 0.00 O ATOM 1870 CB ALA A 118 -1.996 6.608 2.692 1.00 0.00 C ATOM 0 H ALA A 118 -4.455 6.655 2.947 1.00 0.00 H new ATOM 0 HA ALA A 118 -2.372 8.665 3.087 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -0.964 6.788 2.389 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.022 6.331 3.746 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.414 5.799 2.093 1.00 0.00 H new ATOM 1876 N SER A 119 -3.312 7.501 0.149 1.00 0.00 N ATOM 1877 CA SER A 119 -3.356 7.819 -1.268 1.00 0.00 C ATOM 1878 C SER A 119 -3.904 9.233 -1.471 1.00 0.00 C ATOM 1879 O SER A 119 -3.484 9.940 -2.386 1.00 0.00 O ATOM 1880 CB SER A 119 -4.207 6.804 -2.034 1.00 0.00 C ATOM 1881 OG SER A 119 -5.602 7.013 -1.827 1.00 0.00 O ATOM 0 H SER A 119 -3.703 6.591 0.395 1.00 0.00 H new ATOM 0 HA SER A 119 -2.340 7.771 -1.661 1.00 0.00 H new ATOM 0 HB2 SER A 119 -3.984 6.874 -3.099 1.00 0.00 H new ATOM 0 HB3 SER A 119 -3.941 5.795 -1.718 1.00 0.00 H new ATOM 0 HG SER A 119 -5.751 7.353 -0.920 1.00 0.00 H new ATOM 1887 N ARG A 120 -4.835 9.602 -0.604 1.00 0.00 N ATOM 1888 CA ARG A 120 -5.445 10.919 -0.677 1.00 0.00 C ATOM 1889 C ARG A 120 -4.380 12.007 -0.527 1.00 0.00 C ATOM 1890 O ARG A 120 -4.492 13.077 -1.123 1.00 0.00 O ATOM 1891 CB ARG A 120 -6.503 11.097 0.414 1.00 0.00 C ATOM 1892 CG ARG A 120 -7.854 10.536 -0.035 1.00 0.00 C ATOM 1893 CD ARG A 120 -8.503 11.444 -1.082 1.00 0.00 C ATOM 1894 NE ARG A 120 -9.908 11.035 -1.305 1.00 0.00 N ATOM 1895 CZ ARG A 120 -10.634 11.393 -2.373 1.00 0.00 C ATOM 1896 NH1 ARG A 120 -10.093 12.170 -3.322 1.00 0.00 N ATOM 1897 NH2 ARG A 120 -11.902 10.976 -2.492 1.00 0.00 N ATOM 0 H ARG A 120 -5.182 9.012 0.153 1.00 0.00 H new ATOM 0 HA ARG A 120 -5.925 11.008 -1.651 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -6.180 10.592 1.324 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -6.607 12.155 0.656 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.718 9.537 -0.449 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.515 10.437 0.826 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.466 12.481 -0.749 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.947 11.389 -2.018 1.00 0.00 H new ATOM 0 HE ARG A 120 -10.351 10.444 -0.602 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -9.128 12.489 -3.231 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -10.646 12.442 -4.135 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -12.315 10.386 -1.770 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -12.454 11.249 -3.305 1.00 0.00 H new