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 79:sc= 0.206 USER MOD Set 1.2: A 64 HIS : no HE2:sc= -6.17! C(o=-6!,f=-6.2!) USER MOD Single : A 20 LYS NZ :NH3+ 162:sc= 0.25 (180deg=-0.538) USER MOD Single : A 21 GLN : amide:sc= -4.63! C(o=-4.6!,f=-13!) USER MOD Single : A 23 CYS SG : rot 24:sc= 0.651 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.342 K(o=-0.34,f=-1.5!) 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= -3.17! C(o=-3.2!,f=-6.2!) USER MOD Single : A 50 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 51 TYR OH : rot 180:sc=-0.00614 USER MOD Single : A 68 CYS SG : rot -79:sc= -2.53 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= 0.403 K(o=0.4,f=-0.85) USER MOD Single : A 92 THR OG1 : rot 140:sc= -0.674 USER MOD Single : A 97 HIS : no HE2:sc= -4.72! C(o=-4.7!,f=-13!) USER MOD Single : A 98 TYR OH : rot 180:sc=-0.00263 USER MOD Single : A 101 GLN : amide:sc= -0.773 K(o=-0.77,f=-2.2) USER MOD Single : A 104 THR OG1 : rot -101:sc= -0.238 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= -3.06! C(o=-3.1!,f=-2.4!) USER MOD Single : A 117 MET CE :methyl 164:sc= -1.35 (180deg=-2.16) USER MOD Single : A 119 SER OG : rot -19:sc= -0.144 USER MOD ----------------------------------------------------------------- ATOM 223 N VAL A 17 4.933 8.584 8.157 1.00 0.00 N ATOM 224 CA VAL A 17 4.462 7.906 9.353 1.00 0.00 C ATOM 225 C VAL A 17 3.543 6.751 8.951 1.00 0.00 C ATOM 226 O VAL A 17 3.190 6.612 7.781 1.00 0.00 O ATOM 227 CB VAL A 17 3.787 8.909 10.291 1.00 0.00 C ATOM 228 CG1 VAL A 17 2.407 9.309 9.764 1.00 0.00 C ATOM 229 CG2 VAL A 17 3.691 8.351 11.712 1.00 0.00 C ATOM 0 HA VAL A 17 5.299 7.478 9.904 1.00 0.00 H new ATOM 0 HB VAL A 17 4.406 9.806 10.325 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.949 10.022 10.449 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.512 9.766 8.780 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.776 8.423 9.687 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.207 9.083 12.359 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.105 7.432 11.703 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.692 8.140 12.088 1.00 0.00 H new ATOM 239 N ILE A 18 3.182 5.951 9.944 1.00 0.00 N ATOM 240 CA ILE A 18 2.311 4.813 9.708 1.00 0.00 C ATOM 241 C ILE A 18 0.872 5.196 10.059 1.00 0.00 C ATOM 242 O ILE A 18 0.644 6.102 10.859 1.00 0.00 O ATOM 243 CB ILE A 18 2.821 3.583 10.463 1.00 0.00 C ATOM 244 CG1 ILE A 18 4.129 3.071 9.856 1.00 0.00 C ATOM 245 CG2 ILE A 18 1.750 2.492 10.520 1.00 0.00 C ATOM 246 CD1 ILE A 18 3.963 2.776 8.364 1.00 0.00 C ATOM 0 H ILE A 18 3.477 6.069 10.913 1.00 0.00 H new ATOM 0 HA ILE A 18 2.320 4.539 8.653 1.00 0.00 H new ATOM 0 HB ILE A 18 3.036 3.877 11.490 1.00 0.00 H new ATOM 0 HG12 ILE A 18 4.915 3.813 9.998 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.446 2.167 10.376 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.138 1.629 11.062 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.867 2.875 11.032 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.481 2.193 9.507 1.00 0.00 H new ATOM 0 HD11 ILE A 18 4.907 2.414 7.957 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.194 2.016 8.227 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.670 3.688 7.843 1.00 0.00 H new ATOM 258 N ILE A 19 -0.063 4.487 9.443 1.00 0.00 N ATOM 259 CA ILE A 19 -1.473 4.742 9.680 1.00 0.00 C ATOM 260 C ILE A 19 -2.153 3.446 10.127 1.00 0.00 C ATOM 261 O ILE A 19 -2.972 3.454 11.045 1.00 0.00 O ATOM 262 CB ILE A 19 -2.117 5.380 8.448 1.00 0.00 C ATOM 263 CG1 ILE A 19 -1.576 4.755 7.160 1.00 0.00 C ATOM 264 CG2 ILE A 19 -1.943 6.900 8.464 1.00 0.00 C ATOM 265 CD1 ILE A 19 -0.482 5.630 6.544 1.00 0.00 C ATOM 0 H ILE A 19 0.129 3.736 8.780 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.599 5.464 10.487 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.188 5.178 8.479 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.177 3.763 7.372 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.389 4.625 6.445 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.410 7.329 7.577 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.414 7.311 9.357 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.881 7.145 8.469 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -0.114 5.163 5.630 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.891 6.613 6.311 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.340 5.738 7.252 1.00 0.00 H new ATOM 277 N LYS A 20 -1.789 2.362 9.456 1.00 0.00 N ATOM 278 CA LYS A 20 -2.353 1.061 9.773 1.00 0.00 C ATOM 279 C LYS A 20 -1.336 -0.028 9.429 1.00 0.00 C ATOM 280 O LYS A 20 -0.621 0.076 8.433 1.00 0.00 O ATOM 281 CB LYS A 20 -3.705 0.881 9.079 1.00 0.00 C ATOM 282 CG LYS A 20 -4.367 -0.432 9.502 1.00 0.00 C ATOM 283 CD LYS A 20 -5.890 -0.340 9.388 1.00 0.00 C ATOM 284 CE LYS A 20 -6.515 -1.731 9.259 1.00 0.00 C ATOM 285 NZ LYS A 20 -7.602 -1.904 10.249 1.00 0.00 N ATOM 0 H LYS A 20 -1.111 2.359 8.694 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.555 0.983 10.841 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.359 1.718 9.325 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.567 0.891 7.998 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -4.001 -1.246 8.877 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.089 -0.669 10.529 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -6.294 0.164 10.266 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.158 0.265 8.521 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -6.907 -1.868 8.251 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -5.752 -2.495 9.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.208 -2.700 9.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -7.192 -2.099 11.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.172 -1.035 10.295 1.00 0.00 H new ATOM 299 N GLN A 21 -1.302 -1.050 10.273 1.00 0.00 N ATOM 300 CA GLN A 21 -0.384 -2.157 10.071 1.00 0.00 C ATOM 301 C GLN A 21 -1.053 -3.478 10.458 1.00 0.00 C ATOM 302 O GLN A 21 -1.798 -3.538 11.435 1.00 0.00 O ATOM 303 CB GLN A 21 0.910 -1.947 10.859 1.00 0.00 C ATOM 304 CG GLN A 21 1.794 -0.892 10.190 1.00 0.00 C ATOM 305 CD GLN A 21 3.156 -0.799 10.881 1.00 0.00 C ATOM 306 OE1 GLN A 21 4.165 -1.273 10.387 1.00 0.00 O ATOM 307 NE2 GLN A 21 3.127 -0.164 12.050 1.00 0.00 N ATOM 0 H GLN A 21 -1.896 -1.134 11.098 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.124 -2.199 9.013 1.00 0.00 H new ATOM 0 HB2 GLN A 21 0.674 -1.637 11.877 1.00 0.00 H new ATOM 0 HB3 GLN A 21 1.453 -2.889 10.931 1.00 0.00 H new ATOM 0 HG2 GLN A 21 1.932 -1.142 9.138 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.298 0.078 10.224 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.247 0.209 12.406 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.985 -0.050 12.590 1.00 0.00 H new ATOM 316 N GLY A 22 -0.763 -4.504 9.671 1.00 0.00 N ATOM 317 CA GLY A 22 -1.327 -5.820 9.919 1.00 0.00 C ATOM 318 C GLY A 22 -0.831 -6.833 8.885 1.00 0.00 C ATOM 319 O GLY A 22 0.036 -6.519 8.070 1.00 0.00 O ATOM 0 H GLY A 22 -0.145 -4.450 8.861 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.054 -6.154 10.920 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.415 -5.765 9.887 1.00 0.00 H new ATOM 323 N CYS A 23 -1.402 -8.026 8.952 1.00 0.00 N ATOM 324 CA CYS A 23 -1.028 -9.087 8.031 1.00 0.00 C ATOM 325 C CYS A 23 -2.178 -9.292 7.042 1.00 0.00 C ATOM 326 O CYS A 23 -3.331 -9.431 7.446 1.00 0.00 O ATOM 327 CB CYS A 23 -0.675 -10.379 8.771 1.00 0.00 C ATOM 328 SG CYS A 23 -2.171 -11.079 9.558 1.00 0.00 S ATOM 0 H CYS A 23 -2.121 -8.282 9.629 1.00 0.00 H new ATOM 0 HA CYS A 23 -0.129 -8.800 7.487 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.249 -11.101 8.075 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.084 -10.179 9.527 1.00 0.00 H new ATOM 0 HG CYS A 23 -3.229 -10.651 8.936 1.00 0.00 H new ATOM 334 N LEU A 24 -1.822 -9.303 5.766 1.00 0.00 N ATOM 335 CA LEU A 24 -2.810 -9.489 4.716 1.00 0.00 C ATOM 336 C LEU A 24 -2.420 -10.697 3.863 1.00 0.00 C ATOM 337 O LEU A 24 -1.252 -11.081 3.821 1.00 0.00 O ATOM 338 CB LEU A 24 -2.986 -8.199 3.912 1.00 0.00 C ATOM 339 CG LEU A 24 -4.092 -7.256 4.391 1.00 0.00 C ATOM 340 CD1 LEU A 24 -4.221 -6.047 3.462 1.00 0.00 C ATOM 341 CD2 LEU A 24 -5.418 -8.002 4.549 1.00 0.00 C ATOM 0 H LEU A 24 -0.864 -9.186 5.435 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.788 -9.705 5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.042 -7.655 3.924 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.187 -8.466 2.874 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.817 -6.878 5.376 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.014 -5.393 3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.278 -5.500 3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.463 -6.386 2.455 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.187 -7.309 4.890 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.713 -8.427 3.590 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.300 -8.802 5.280 1.00 0.00 H new ATOM 353 N LEU A 25 -3.420 -11.263 3.203 1.00 0.00 N ATOM 354 CA LEU A 25 -3.196 -12.419 2.352 1.00 0.00 C ATOM 355 C LEU A 25 -3.125 -11.968 0.892 1.00 0.00 C ATOM 356 O LEU A 25 -4.154 -11.725 0.263 1.00 0.00 O ATOM 357 CB LEU A 25 -4.257 -13.490 2.614 1.00 0.00 C ATOM 358 CG LEU A 25 -4.503 -13.846 4.081 1.00 0.00 C ATOM 359 CD1 LEU A 25 -3.234 -14.400 4.732 1.00 0.00 C ATOM 360 CD2 LEU A 25 -5.064 -12.648 4.849 1.00 0.00 C ATOM 0 H LEU A 25 -4.388 -10.942 3.241 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.239 -12.885 2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.199 -13.154 2.180 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.967 -14.397 2.084 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.255 -14.634 4.119 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.437 -14.645 5.775 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.916 -15.299 4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.443 -13.652 4.683 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.230 -12.928 5.889 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.354 -11.822 4.804 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.009 -12.339 4.401 1.00 0.00 H new ATOM 372 N LYS A 26 -1.901 -11.868 0.395 1.00 0.00 N ATOM 373 CA LYS A 26 -1.682 -11.449 -0.979 1.00 0.00 C ATOM 374 C LYS A 26 -1.714 -12.676 -1.892 1.00 0.00 C ATOM 375 O LYS A 26 -0.871 -13.564 -1.775 1.00 0.00 O ATOM 376 CB LYS A 26 -0.394 -10.632 -1.092 1.00 0.00 C ATOM 377 CG LYS A 26 -0.429 -9.719 -2.319 1.00 0.00 C ATOM 378 CD LYS A 26 0.979 -9.486 -2.870 1.00 0.00 C ATOM 379 CE LYS A 26 1.928 -9.014 -1.766 1.00 0.00 C ATOM 380 NZ LYS A 26 3.198 -9.772 -1.815 1.00 0.00 N ATOM 0 H LYS A 26 -1.050 -12.070 0.920 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.482 -10.785 -1.307 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.260 -10.032 -0.192 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.462 -11.303 -1.158 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.056 -10.165 -3.091 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.882 -8.764 -2.053 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.358 -10.408 -3.311 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.943 -8.743 -3.666 1.00 0.00 H new ATOM 0 HE2 LYS A 26 2.129 -7.949 -1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.456 -9.146 -0.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.830 -9.439 -1.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.003 -10.785 -1.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.654 -9.625 -2.738 1.00 0.00 H new ATOM 394 N GLN A 27 -2.696 -12.687 -2.782 1.00 0.00 N ATOM 395 CA GLN A 27 -2.849 -13.790 -3.714 1.00 0.00 C ATOM 396 C GLN A 27 -1.698 -13.797 -4.722 1.00 0.00 C ATOM 397 O GLN A 27 -0.854 -12.902 -4.711 1.00 0.00 O ATOM 398 CB GLN A 27 -4.201 -13.722 -4.427 1.00 0.00 C ATOM 399 CG GLN A 27 -4.894 -15.086 -4.420 1.00 0.00 C ATOM 400 CD GLN A 27 -5.161 -15.573 -5.846 1.00 0.00 C ATOM 401 OE1 GLN A 27 -4.508 -15.176 -6.798 1.00 0.00 O ATOM 402 NE2 GLN A 27 -6.153 -16.453 -5.941 1.00 0.00 N ATOM 0 H GLN A 27 -3.394 -11.949 -2.877 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.819 -14.723 -3.151 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.837 -12.984 -3.938 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.058 -13.388 -5.455 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -4.272 -15.811 -3.895 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.834 -15.017 -3.873 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -6.659 -16.743 -5.104 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.408 -16.838 -6.851 1.00 0.00 H new ATOM 543 N LYS A 35 -1.027 -16.742 1.023 1.00 0.00 N ATOM 544 CA LYS A 35 0.179 -16.601 1.821 1.00 0.00 C ATOM 545 C LYS A 35 0.093 -15.312 2.642 1.00 0.00 C ATOM 546 O LYS A 35 -0.046 -14.225 2.084 1.00 0.00 O ATOM 547 CB LYS A 35 1.422 -16.682 0.932 1.00 0.00 C ATOM 548 CG LYS A 35 2.406 -17.727 1.462 1.00 0.00 C ATOM 549 CD LYS A 35 3.804 -17.127 1.630 1.00 0.00 C ATOM 550 CE LYS A 35 4.425 -17.552 2.963 1.00 0.00 C ATOM 551 NZ LYS A 35 5.058 -16.393 3.632 1.00 0.00 N ATOM 0 HA LYS A 35 0.267 -17.426 2.528 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.129 -16.936 -0.087 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.908 -15.707 0.890 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.054 -18.111 2.419 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.449 -18.573 0.775 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.443 -17.449 0.808 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.745 -16.040 1.582 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.658 -17.978 3.609 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.168 -18.332 2.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.475 -16.698 4.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.804 -16.004 3.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.341 -15.661 3.811 1.00 0.00 H new ATOM 565 N VAL A 36 0.180 -15.477 3.953 1.00 0.00 N ATOM 566 CA VAL A 36 0.115 -14.341 4.857 1.00 0.00 C ATOM 567 C VAL A 36 1.304 -13.415 4.592 1.00 0.00 C ATOM 568 O VAL A 36 2.423 -13.881 4.385 1.00 0.00 O ATOM 569 CB VAL A 36 0.046 -14.828 6.306 1.00 0.00 C ATOM 570 CG1 VAL A 36 0.343 -13.687 7.281 1.00 0.00 C ATOM 571 CG2 VAL A 36 -1.310 -15.468 6.606 1.00 0.00 C ATOM 0 H VAL A 36 0.295 -16.381 4.412 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.792 -13.763 4.680 1.00 0.00 H new ATOM 0 HB VAL A 36 0.812 -15.592 6.440 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.288 -14.059 8.304 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.343 -13.296 7.090 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.389 -12.891 7.144 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.332 -15.805 7.642 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.101 -14.736 6.446 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.465 -16.320 5.944 1.00 0.00 H new ATOM 581 N ARG A 37 1.020 -12.121 4.608 1.00 0.00 N ATOM 582 CA ARG A 37 2.052 -11.126 4.373 1.00 0.00 C ATOM 583 C ARG A 37 1.748 -9.850 5.160 1.00 0.00 C ATOM 584 O ARG A 37 0.599 -9.416 5.225 1.00 0.00 O ATOM 585 CB ARG A 37 2.161 -10.786 2.885 1.00 0.00 C ATOM 586 CG ARG A 37 3.148 -11.719 2.180 1.00 0.00 C ATOM 587 CD ARG A 37 4.542 -11.092 2.113 1.00 0.00 C ATOM 588 NE ARG A 37 5.561 -12.144 1.902 1.00 0.00 N ATOM 589 CZ ARG A 37 5.888 -12.643 0.702 1.00 0.00 C ATOM 590 NH1 ARG A 37 5.280 -12.187 -0.402 1.00 0.00 N ATOM 591 NH2 ARG A 37 6.825 -13.596 0.605 1.00 0.00 N ATOM 0 H ARG A 37 0.090 -11.739 4.780 1.00 0.00 H new ATOM 0 HA ARG A 37 3.000 -11.546 4.708 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.180 -10.868 2.417 1.00 0.00 H new ATOM 0 HB3 ARG A 37 2.485 -9.752 2.767 1.00 0.00 H new ATOM 0 HG2 ARG A 37 3.198 -12.670 2.711 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.794 -11.935 1.172 1.00 0.00 H new ATOM 0 HD2 ARG A 37 4.584 -10.365 1.302 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.751 -10.551 3.036 1.00 0.00 H new ATOM 0 HE ARG A 37 6.045 -12.512 2.721 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.568 -11.460 -0.329 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.529 -12.567 -1.315 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.290 -13.942 1.445 1.00 0.00 H new ATOM 0 HH22 ARG A 37 7.074 -13.976 -0.308 1.00 0.00 H new ATOM 605 N LYS A 38 2.798 -9.284 5.737 1.00 0.00 N ATOM 606 CA LYS A 38 2.658 -8.066 6.516 1.00 0.00 C ATOM 607 C LYS A 38 2.605 -6.864 5.571 1.00 0.00 C ATOM 608 O LYS A 38 3.511 -6.664 4.763 1.00 0.00 O ATOM 609 CB LYS A 38 3.764 -7.972 7.569 1.00 0.00 C ATOM 610 CG LYS A 38 3.250 -7.310 8.848 1.00 0.00 C ATOM 611 CD LYS A 38 4.230 -6.247 9.348 1.00 0.00 C ATOM 612 CE LYS A 38 3.543 -5.278 10.313 1.00 0.00 C ATOM 613 NZ LYS A 38 3.628 -5.783 11.702 1.00 0.00 N ATOM 0 H LYS A 38 3.750 -9.647 5.680 1.00 0.00 H new ATOM 0 HA LYS A 38 1.721 -8.076 7.072 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.139 -8.970 7.797 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.602 -7.400 7.171 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.278 -6.854 8.660 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.104 -8.066 9.619 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.071 -6.729 9.848 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.637 -5.695 8.501 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.012 -4.296 10.247 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.498 -5.152 10.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.157 -5.114 12.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.160 -6.710 11.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.627 -5.881 11.975 1.00 0.00 H new ATOM 627 N PHE A 39 1.535 -6.094 5.703 1.00 0.00 N ATOM 628 CA PHE A 39 1.352 -4.917 4.871 1.00 0.00 C ATOM 629 C PHE A 39 1.335 -3.643 5.719 1.00 0.00 C ATOM 630 O PHE A 39 0.449 -3.460 6.553 1.00 0.00 O ATOM 631 CB PHE A 39 -0.001 -5.069 4.173 1.00 0.00 C ATOM 632 CG PHE A 39 0.084 -5.699 2.781 1.00 0.00 C ATOM 633 CD1 PHE A 39 0.076 -7.052 2.646 1.00 0.00 C ATOM 634 CD2 PHE A 39 0.169 -4.906 1.680 1.00 0.00 C ATOM 635 CE1 PHE A 39 0.155 -7.637 1.355 1.00 0.00 C ATOM 636 CE2 PHE A 39 0.248 -5.491 0.388 1.00 0.00 C ATOM 637 CZ PHE A 39 0.240 -6.845 0.253 1.00 0.00 C ATOM 0 H PHE A 39 0.786 -6.262 6.374 1.00 0.00 H new ATOM 0 HA PHE A 39 2.171 -4.835 4.157 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -0.654 -5.679 4.797 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -0.467 -4.087 4.088 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.010 -7.682 3.521 1.00 0.00 H new ATOM 0 HD2 PHE A 39 0.176 -3.831 1.788 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.148 -8.712 1.248 1.00 0.00 H new ATOM 0 HE2 PHE A 39 0.314 -4.861 -0.487 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.301 -7.290 -0.729 1.00 0.00 H new ATOM 647 N ILE A 40 2.324 -2.796 5.476 1.00 0.00 N ATOM 648 CA ILE A 40 2.434 -1.545 6.207 1.00 0.00 C ATOM 649 C ILE A 40 2.085 -0.383 5.275 1.00 0.00 C ATOM 650 O ILE A 40 2.644 -0.267 4.185 1.00 0.00 O ATOM 651 CB ILE A 40 3.815 -1.422 6.854 1.00 0.00 C ATOM 652 CG1 ILE A 40 4.067 -2.571 7.832 1.00 0.00 C ATOM 653 CG2 ILE A 40 3.989 -0.054 7.518 1.00 0.00 C ATOM 654 CD1 ILE A 40 5.532 -2.605 8.272 1.00 0.00 C ATOM 0 H ILE A 40 3.056 -2.951 4.783 1.00 0.00 H new ATOM 0 HA ILE A 40 1.719 -1.520 7.030 1.00 0.00 H new ATOM 0 HB ILE A 40 4.568 -1.497 6.070 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.424 -2.458 8.705 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.803 -3.518 7.362 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.979 0.008 7.970 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.883 0.730 6.769 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.229 0.076 8.289 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.684 -3.431 8.967 1.00 0.00 H new ATOM 0 HD12 ILE A 40 6.171 -2.742 7.400 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.786 -1.666 8.763 1.00 0.00 H new ATOM 666 N LEU A 41 1.163 0.449 5.737 1.00 0.00 N ATOM 667 CA LEU A 41 0.733 1.598 4.959 1.00 0.00 C ATOM 668 C LEU A 41 1.282 2.875 5.597 1.00 0.00 C ATOM 669 O LEU A 41 1.296 3.006 6.820 1.00 0.00 O ATOM 670 CB LEU A 41 -0.788 1.596 4.796 1.00 0.00 C ATOM 671 CG LEU A 41 -1.385 2.798 4.062 1.00 0.00 C ATOM 672 CD1 LEU A 41 -1.166 2.683 2.552 1.00 0.00 C ATOM 673 CD2 LEU A 41 -2.863 2.977 4.415 1.00 0.00 C ATOM 0 H LEU A 41 0.702 0.350 6.641 1.00 0.00 H new ATOM 0 HA LEU A 41 1.138 1.547 3.948 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.075 0.690 4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.240 1.539 5.786 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.863 3.695 4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.600 3.550 2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.097 2.641 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.644 1.776 2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.263 3.838 3.880 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.416 2.083 4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.964 3.138 5.488 1.00 0.00 H new ATOM 685 N ARG A 42 1.722 3.785 4.740 1.00 0.00 N ATOM 686 CA ARG A 42 2.270 5.048 5.205 1.00 0.00 C ATOM 687 C ARG A 42 1.791 6.195 4.314 1.00 0.00 C ATOM 688 O ARG A 42 1.881 6.114 3.090 1.00 0.00 O ATOM 689 CB ARG A 42 3.800 5.016 5.207 1.00 0.00 C ATOM 690 CG ARG A 42 4.342 4.655 3.823 1.00 0.00 C ATOM 691 CD ARG A 42 4.975 3.261 3.829 1.00 0.00 C ATOM 692 NE ARG A 42 6.336 3.326 4.407 1.00 0.00 N ATOM 693 CZ ARG A 42 7.365 3.967 3.836 1.00 0.00 C ATOM 694 NH1 ARG A 42 7.194 4.601 2.668 1.00 0.00 N ATOM 695 NH2 ARG A 42 8.565 3.973 4.432 1.00 0.00 N ATOM 0 H ARG A 42 1.710 3.673 3.726 1.00 0.00 H new ATOM 0 HA ARG A 42 1.920 5.206 6.225 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.187 5.988 5.511 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.151 4.290 5.940 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.534 4.688 3.092 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.082 5.393 3.514 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.357 2.575 4.408 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.021 2.869 2.813 1.00 0.00 H new ATOM 0 HE ARG A 42 6.501 2.853 5.296 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.281 4.596 2.214 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.977 5.089 2.233 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.696 3.490 5.321 1.00 0.00 H new ATOM 0 HH22 ARG A 42 9.348 4.461 3.997 1.00 0.00 H new ATOM 709 N GLU A 43 1.293 7.238 4.962 1.00 0.00 N ATOM 710 CA GLU A 43 0.800 8.400 4.243 1.00 0.00 C ATOM 711 C GLU A 43 1.816 9.542 4.321 1.00 0.00 C ATOM 712 O GLU A 43 2.410 9.779 5.371 1.00 0.00 O ATOM 713 CB GLU A 43 -0.562 8.841 4.782 1.00 0.00 C ATOM 714 CG GLU A 43 -0.478 9.188 6.270 1.00 0.00 C ATOM 715 CD GLU A 43 -1.089 10.563 6.547 1.00 0.00 C ATOM 716 OE1 GLU A 43 -0.946 11.436 5.665 1.00 0.00 O ATOM 717 OE2 GLU A 43 -1.685 10.709 7.636 1.00 0.00 O ATOM 0 H GLU A 43 1.220 7.302 5.977 1.00 0.00 H new ATOM 0 HA GLU A 43 0.668 8.127 3.196 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -0.915 9.707 4.223 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -1.291 8.045 4.631 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.000 8.430 6.854 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.563 9.177 6.591 1.00 0.00 H new ATOM 724 N ASP A 44 1.983 10.220 3.194 1.00 0.00 N ATOM 725 CA ASP A 44 2.916 11.331 3.122 1.00 0.00 C ATOM 726 C ASP A 44 4.300 10.860 3.574 1.00 0.00 C ATOM 727 O ASP A 44 4.713 11.129 4.701 1.00 0.00 O ATOM 728 CB ASP A 44 2.483 12.476 4.040 1.00 0.00 C ATOM 729 CG ASP A 44 3.041 13.851 3.667 1.00 0.00 C ATOM 730 OD1 ASP A 44 4.266 14.030 3.833 1.00 0.00 O ATOM 731 OD2 ASP A 44 2.229 14.691 3.224 1.00 0.00 O ATOM 0 H ASP A 44 1.488 10.021 2.325 1.00 0.00 H new ATOM 0 HA ASP A 44 2.939 11.685 2.091 1.00 0.00 H new ATOM 0 HB2 ASP A 44 1.394 12.530 4.039 1.00 0.00 H new ATOM 0 HB3 ASP A 44 2.790 12.240 5.059 1.00 0.00 H new ATOM 736 N PRO A 45 4.996 10.148 2.648 1.00 0.00 N ATOM 737 CA PRO A 45 4.433 9.874 1.337 1.00 0.00 C ATOM 738 C PRO A 45 3.360 8.787 1.416 1.00 0.00 C ATOM 739 O PRO A 45 3.175 8.167 2.463 1.00 0.00 O ATOM 740 CB PRO A 45 5.620 9.475 0.475 1.00 0.00 C ATOM 741 CG PRO A 45 6.727 9.090 1.443 1.00 0.00 C ATOM 742 CD PRO A 45 6.332 9.586 2.824 1.00 0.00 C ATOM 0 HA PRO A 45 3.920 10.736 0.912 1.00 0.00 H new ATOM 0 HB2 PRO A 45 5.365 8.641 -0.179 1.00 0.00 H new ATOM 0 HB3 PRO A 45 5.931 10.299 -0.167 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.868 8.009 1.451 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.674 9.532 1.135 1.00 0.00 H new ATOM 0 HD2 PRO A 45 6.327 8.773 3.550 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.032 10.337 3.190 1.00 0.00 H new ATOM 750 N ALA A 46 2.679 8.590 0.297 1.00 0.00 N ATOM 751 CA ALA A 46 1.628 7.589 0.227 1.00 0.00 C ATOM 752 C ALA A 46 2.171 6.333 -0.459 1.00 0.00 C ATOM 753 O ALA A 46 2.182 6.249 -1.687 1.00 0.00 O ATOM 754 CB ALA A 46 0.414 8.172 -0.499 1.00 0.00 C ATOM 0 H ALA A 46 2.834 9.107 -0.569 1.00 0.00 H new ATOM 0 HA ALA A 46 1.303 7.304 1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.374 7.421 -0.551 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.049 9.044 0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 46 0.701 8.468 -1.508 1.00 0.00 H new ATOM 760 N TYR A 47 2.606 5.390 0.362 1.00 0.00 N ATOM 761 CA TYR A 47 3.149 4.143 -0.150 1.00 0.00 C ATOM 762 C TYR A 47 2.734 2.962 0.729 1.00 0.00 C ATOM 763 O TYR A 47 2.216 3.154 1.829 1.00 0.00 O ATOM 764 CB TYR A 47 4.670 4.292 -0.099 1.00 0.00 C ATOM 765 CG TYR A 47 5.280 4.895 -1.366 1.00 0.00 C ATOM 766 CD1 TYR A 47 5.079 4.283 -2.587 1.00 0.00 C ATOM 767 CD2 TYR A 47 6.030 6.051 -1.289 1.00 0.00 C ATOM 768 CE1 TYR A 47 5.653 4.851 -3.780 1.00 0.00 C ATOM 769 CE2 TYR A 47 6.603 6.618 -2.481 1.00 0.00 C ATOM 770 CZ TYR A 47 6.386 5.990 -3.668 1.00 0.00 C ATOM 771 OH TYR A 47 6.928 6.526 -4.794 1.00 0.00 O ATOM 0 H TYR A 47 2.594 5.464 1.379 1.00 0.00 H new ATOM 0 HA TYR A 47 2.782 3.950 -1.158 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.935 4.918 0.753 1.00 0.00 H new ATOM 0 HB3 TYR A 47 5.115 3.312 0.075 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.492 3.379 -2.648 1.00 0.00 H new ATOM 0 HD2 TYR A 47 6.187 6.530 -0.334 1.00 0.00 H new ATOM 0 HE1 TYR A 47 5.504 4.382 -4.742 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.192 7.522 -2.434 1.00 0.00 H new ATOM 0 HH TYR A 47 6.238 7.018 -5.287 1.00 0.00 H new ATOM 781 N LEU A 48 2.977 1.766 0.213 1.00 0.00 N ATOM 782 CA LEU A 48 2.635 0.554 0.937 1.00 0.00 C ATOM 783 C LEU A 48 3.821 -0.411 0.896 1.00 0.00 C ATOM 784 O LEU A 48 4.141 -0.962 -0.157 1.00 0.00 O ATOM 785 CB LEU A 48 1.335 -0.045 0.397 1.00 0.00 C ATOM 786 CG LEU A 48 0.973 -1.439 0.913 1.00 0.00 C ATOM 787 CD1 LEU A 48 1.977 -2.483 0.423 1.00 0.00 C ATOM 788 CD2 LEU A 48 0.842 -1.441 2.438 1.00 0.00 C ATOM 0 H LEU A 48 3.407 1.611 -0.699 1.00 0.00 H new ATOM 0 HA LEU A 48 2.443 0.779 1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.517 0.634 0.639 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.402 -0.088 -0.690 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.000 -1.713 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.696 -3.465 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.978 -2.504 -0.667 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.974 -2.226 0.782 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.584 -2.443 2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.789 -1.138 2.885 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.060 -0.743 2.737 1.00 0.00 H new ATOM 800 N HIS A 49 4.441 -0.587 2.053 1.00 0.00 N ATOM 801 CA HIS A 49 5.585 -1.477 2.162 1.00 0.00 C ATOM 802 C HIS A 49 5.173 -2.755 2.895 1.00 0.00 C ATOM 803 O HIS A 49 4.804 -2.711 4.067 1.00 0.00 O ATOM 804 CB HIS A 49 6.764 -0.766 2.828 1.00 0.00 C ATOM 805 CG HIS A 49 7.507 0.180 1.914 1.00 0.00 C ATOM 806 ND1 HIS A 49 7.364 1.555 1.983 1.00 0.00 N ATOM 807 CD2 HIS A 49 8.399 -0.066 0.913 1.00 0.00 C ATOM 808 CE1 HIS A 49 8.140 2.102 1.058 1.00 0.00 C ATOM 809 NE2 HIS A 49 8.780 1.096 0.396 1.00 0.00 N ATOM 0 H HIS A 49 4.173 -0.128 2.924 1.00 0.00 H new ATOM 0 HA HIS A 49 5.924 -1.764 1.166 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.399 -0.209 3.691 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.461 -1.515 3.204 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.738 -1.041 0.595 1.00 0.00 H new ATOM 0 HE1 HIS A 49 8.247 3.159 0.863 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.442 1.216 -0.370 1.00 0.00 H new ATOM 817 N TYR A 50 5.249 -3.863 2.173 1.00 0.00 N ATOM 818 CA TYR A 50 4.889 -5.152 2.739 1.00 0.00 C ATOM 819 C TYR A 50 6.134 -5.995 3.020 1.00 0.00 C ATOM 820 O TYR A 50 6.897 -6.305 2.106 1.00 0.00 O ATOM 821 CB TYR A 50 4.039 -5.856 1.680 1.00 0.00 C ATOM 822 CG TYR A 50 4.679 -5.889 0.290 1.00 0.00 C ATOM 823 CD1 TYR A 50 4.479 -4.842 -0.586 1.00 0.00 C ATOM 824 CD2 TYR A 50 5.455 -6.966 -0.086 1.00 0.00 C ATOM 825 CE1 TYR A 50 5.082 -4.873 -1.894 1.00 0.00 C ATOM 826 CE2 TYR A 50 6.058 -6.997 -1.394 1.00 0.00 C ATOM 827 CZ TYR A 50 5.841 -5.949 -2.233 1.00 0.00 C ATOM 828 OH TYR A 50 6.410 -5.978 -3.468 1.00 0.00 O ATOM 0 H TYR A 50 5.555 -3.895 1.200 1.00 0.00 H new ATOM 0 HA TYR A 50 4.358 -5.022 3.682 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.846 -6.879 2.004 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.073 -5.355 1.612 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.871 -4.000 -0.291 1.00 0.00 H new ATOM 0 HD2 TYR A 50 5.610 -7.786 0.600 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.935 -4.060 -2.590 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.668 -7.833 -1.701 1.00 0.00 H new ATOM 0 HH TYR A 50 6.925 -6.805 -3.572 1.00 0.00 H new ATOM 838 N TYR A 51 6.301 -6.343 4.288 1.00 0.00 N ATOM 839 CA TYR A 51 7.441 -7.144 4.700 1.00 0.00 C ATOM 840 C TYR A 51 7.004 -8.557 5.093 1.00 0.00 C ATOM 841 O TYR A 51 5.862 -8.767 5.499 1.00 0.00 O ATOM 842 CB TYR A 51 8.026 -6.444 5.928 1.00 0.00 C ATOM 843 CG TYR A 51 8.228 -4.938 5.749 1.00 0.00 C ATOM 844 CD1 TYR A 51 7.148 -4.083 5.829 1.00 0.00 C ATOM 845 CD2 TYR A 51 9.491 -4.435 5.507 1.00 0.00 C ATOM 846 CE1 TYR A 51 7.339 -2.665 5.660 1.00 0.00 C ATOM 847 CE2 TYR A 51 9.681 -3.018 5.338 1.00 0.00 C ATOM 848 CZ TYR A 51 8.596 -2.203 5.423 1.00 0.00 C ATOM 849 OH TYR A 51 8.775 -0.864 5.263 1.00 0.00 O ATOM 0 H TYR A 51 5.666 -6.085 5.043 1.00 0.00 H new ATOM 0 HA TYR A 51 8.162 -7.234 3.887 1.00 0.00 H new ATOM 0 HB2 TYR A 51 7.366 -6.613 6.779 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.984 -6.902 6.172 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.160 -4.476 6.018 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.336 -5.104 5.445 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.503 -1.984 5.720 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.663 -2.611 5.148 1.00 0.00 H new ATOM 0 HH TYR A 51 9.723 -0.678 5.101 1.00 0.00 H new ATOM 859 N ASP A 52 7.936 -9.489 4.958 1.00 0.00 N ATOM 860 CA ASP A 52 7.662 -10.876 5.293 1.00 0.00 C ATOM 861 C ASP A 52 7.438 -10.996 6.802 1.00 0.00 C ATOM 862 O ASP A 52 8.240 -10.502 7.594 1.00 0.00 O ATOM 863 CB ASP A 52 8.840 -11.777 4.917 1.00 0.00 C ATOM 864 CG ASP A 52 8.455 -13.175 4.430 1.00 0.00 C ATOM 865 OD1 ASP A 52 8.066 -13.277 3.246 1.00 0.00 O ATOM 866 OD2 ASP A 52 8.557 -14.111 5.252 1.00 0.00 O ATOM 0 H ASP A 52 8.882 -9.311 4.621 1.00 0.00 H new ATOM 0 HA ASP A 52 6.778 -11.189 4.738 1.00 0.00 H new ATOM 0 HB2 ASP A 52 9.420 -11.284 4.137 1.00 0.00 H new ATOM 0 HB3 ASP A 52 9.492 -11.878 5.784 1.00 0.00 H new ATOM 871 N PRO A 53 6.316 -11.673 7.164 1.00 0.00 N ATOM 872 CA PRO A 53 5.977 -11.865 8.564 1.00 0.00 C ATOM 873 C PRO A 53 6.868 -12.931 9.204 1.00 0.00 C ATOM 874 O PRO A 53 6.794 -13.167 10.409 1.00 0.00 O ATOM 875 CB PRO A 53 4.505 -12.244 8.564 1.00 0.00 C ATOM 876 CG PRO A 53 4.193 -12.703 7.149 1.00 0.00 C ATOM 877 CD PRO A 53 5.344 -12.272 6.255 1.00 0.00 C ATOM 0 HA PRO A 53 6.145 -10.970 9.163 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.306 -13.037 9.285 1.00 0.00 H new ATOM 0 HB3 PRO A 53 3.883 -11.394 8.845 1.00 0.00 H new ATOM 0 HG2 PRO A 53 4.070 -13.786 7.117 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.257 -12.265 6.803 1.00 0.00 H new ATOM 0 HD2 PRO A 53 5.771 -13.122 5.723 1.00 0.00 H new ATOM 0 HD3 PRO A 53 5.014 -11.557 5.501 1.00 0.00 H new ATOM 885 N ALA A 54 7.691 -13.548 8.368 1.00 0.00 N ATOM 886 CA ALA A 54 8.596 -14.584 8.836 1.00 0.00 C ATOM 887 C ALA A 54 9.972 -13.970 9.102 1.00 0.00 C ATOM 888 O ALA A 54 10.878 -14.652 9.579 1.00 0.00 O ATOM 889 CB ALA A 54 8.651 -15.716 7.809 1.00 0.00 C ATOM 0 H ALA A 54 7.750 -13.350 7.369 1.00 0.00 H new ATOM 0 HA ALA A 54 8.239 -15.012 9.773 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.330 -16.493 8.160 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.654 -16.137 7.678 1.00 0.00 H new ATOM 0 HB3 ALA A 54 9.008 -15.326 6.856 1.00 0.00 H new ATOM 895 N GLY A 55 10.086 -12.689 8.783 1.00 0.00 N ATOM 896 CA GLY A 55 11.336 -11.976 8.982 1.00 0.00 C ATOM 897 C GLY A 55 11.626 -11.040 7.807 1.00 0.00 C ATOM 898 O GLY A 55 10.806 -10.187 7.472 1.00 0.00 O ATOM 0 H GLY A 55 9.333 -12.126 8.388 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.287 -11.401 9.907 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.152 -12.690 9.093 1.00 0.00 H new ATOM 902 N ALA A 56 12.795 -11.232 7.214 1.00 0.00 N ATOM 903 CA ALA A 56 13.204 -10.415 6.084 1.00 0.00 C ATOM 904 C ALA A 56 13.661 -9.045 6.588 1.00 0.00 C ATOM 905 O ALA A 56 14.800 -8.643 6.358 1.00 0.00 O ATOM 906 CB ALA A 56 12.050 -10.313 5.084 1.00 0.00 C ATOM 0 H ALA A 56 13.472 -11.941 7.495 1.00 0.00 H new ATOM 0 HA ALA A 56 14.046 -10.872 5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.356 -9.700 4.236 1.00 0.00 H new ATOM 0 HB2 ALA A 56 11.783 -11.310 4.733 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.187 -9.856 5.569 1.00 0.00 H new ATOM 912 N GLU A 57 12.748 -8.366 7.268 1.00 0.00 N ATOM 913 CA GLU A 57 13.043 -7.049 7.807 1.00 0.00 C ATOM 914 C GLU A 57 12.823 -5.976 6.739 1.00 0.00 C ATOM 915 O GLU A 57 12.059 -5.035 6.947 1.00 0.00 O ATOM 916 CB GLU A 57 14.469 -6.990 8.359 1.00 0.00 C ATOM 917 CG GLU A 57 14.575 -5.971 9.495 1.00 0.00 C ATOM 918 CD GLU A 57 16.038 -5.672 9.828 1.00 0.00 C ATOM 919 OE1 GLU A 57 16.669 -4.957 9.020 1.00 0.00 O ATOM 920 OE2 GLU A 57 16.492 -6.164 10.883 1.00 0.00 O ATOM 0 H GLU A 57 11.804 -8.703 7.458 1.00 0.00 H new ATOM 0 HA GLU A 57 12.360 -6.855 8.634 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.764 -7.975 8.721 1.00 0.00 H new ATOM 0 HB3 GLU A 57 15.161 -6.723 7.560 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.067 -5.049 9.210 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.068 -6.354 10.380 1.00 0.00 H new ATOM 927 N ASP A 58 13.507 -6.154 5.618 1.00 0.00 N ATOM 928 CA ASP A 58 13.395 -5.213 4.516 1.00 0.00 C ATOM 929 C ASP A 58 12.065 -5.435 3.794 1.00 0.00 C ATOM 930 O ASP A 58 11.525 -6.540 3.805 1.00 0.00 O ATOM 931 CB ASP A 58 14.523 -5.416 3.502 1.00 0.00 C ATOM 932 CG ASP A 58 14.376 -6.649 2.610 1.00 0.00 C ATOM 933 OD1 ASP A 58 14.734 -7.745 3.092 1.00 0.00 O ATOM 934 OD2 ASP A 58 13.909 -6.469 1.464 1.00 0.00 O ATOM 0 H ASP A 58 14.140 -6.935 5.449 1.00 0.00 H new ATOM 0 HA ASP A 58 13.455 -4.205 4.926 1.00 0.00 H new ATOM 0 HB2 ASP A 58 14.584 -4.532 2.867 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.468 -5.487 4.041 1.00 0.00 H new ATOM 939 N PRO A 59 11.562 -4.338 3.167 1.00 0.00 N ATOM 940 CA PRO A 59 10.305 -4.402 2.441 1.00 0.00 C ATOM 941 C PRO A 59 10.479 -5.127 1.106 1.00 0.00 C ATOM 942 O PRO A 59 11.191 -4.650 0.224 1.00 0.00 O ATOM 943 CB PRO A 59 9.870 -2.954 2.278 1.00 0.00 C ATOM 944 CG PRO A 59 11.118 -2.116 2.505 1.00 0.00 C ATOM 945 CD PRO A 59 12.173 -3.013 3.133 1.00 0.00 C ATOM 0 HA PRO A 59 9.544 -4.976 2.969 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.458 -2.780 1.284 1.00 0.00 H new ATOM 0 HB3 PRO A 59 9.091 -2.697 2.996 1.00 0.00 H new ATOM 0 HG2 PRO A 59 11.479 -1.705 1.562 1.00 0.00 H new ATOM 0 HG3 PRO A 59 10.897 -1.271 3.158 1.00 0.00 H new ATOM 0 HD2 PRO A 59 13.091 -3.015 2.545 1.00 0.00 H new ATOM 0 HD3 PRO A 59 12.436 -2.673 4.134 1.00 0.00 H new ATOM 953 N LEU A 60 9.817 -6.270 0.999 1.00 0.00 N ATOM 954 CA LEU A 60 9.890 -7.066 -0.214 1.00 0.00 C ATOM 955 C LEU A 60 9.731 -6.151 -1.430 1.00 0.00 C ATOM 956 O LEU A 60 10.333 -6.391 -2.475 1.00 0.00 O ATOM 957 CB LEU A 60 8.873 -8.209 -0.167 1.00 0.00 C ATOM 958 CG LEU A 60 9.037 -9.206 0.982 1.00 0.00 C ATOM 959 CD1 LEU A 60 7.679 -9.595 1.568 1.00 0.00 C ATOM 960 CD2 LEU A 60 9.841 -10.429 0.536 1.00 0.00 C ATOM 0 H LEU A 60 9.228 -6.664 1.733 1.00 0.00 H new ATOM 0 HA LEU A 60 10.867 -7.542 -0.299 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.874 -7.778 -0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.928 -8.757 -1.108 1.00 0.00 H new ATOM 0 HG LEU A 60 9.603 -8.721 1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 60 7.824 -10.304 2.383 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.178 -8.704 1.947 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.066 -10.054 0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 60 9.943 -11.122 1.371 1.00 0.00 H new ATOM 0 HD22 LEU A 60 9.324 -10.925 -0.285 1.00 0.00 H new ATOM 0 HD23 LEU A 60 10.830 -10.113 0.204 1.00 0.00 H new ATOM 972 N GLY A 61 8.916 -5.122 -1.254 1.00 0.00 N ATOM 973 CA GLY A 61 8.670 -4.170 -2.323 1.00 0.00 C ATOM 974 C GLY A 61 7.855 -2.977 -1.819 1.00 0.00 C ATOM 975 O GLY A 61 7.878 -2.663 -0.630 1.00 0.00 O ATOM 0 H GLY A 61 8.417 -4.927 -0.386 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.619 -3.821 -2.729 1.00 0.00 H new ATOM 0 HA3 GLY A 61 8.137 -4.661 -3.137 1.00 0.00 H new ATOM 979 N ALA A 62 7.154 -2.345 -2.749 1.00 0.00 N ATOM 980 CA ALA A 62 6.334 -1.193 -2.414 1.00 0.00 C ATOM 981 C ALA A 62 5.243 -1.024 -3.474 1.00 0.00 C ATOM 982 O ALA A 62 5.391 -1.491 -4.602 1.00 0.00 O ATOM 983 CB ALA A 62 7.221 0.047 -2.287 1.00 0.00 C ATOM 0 H ALA A 62 7.137 -2.609 -3.734 1.00 0.00 H new ATOM 0 HA ALA A 62 5.841 -1.340 -1.453 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.605 0.911 -2.036 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.960 -0.113 -1.502 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.731 0.228 -3.233 1.00 0.00 H new ATOM 989 N ILE A 63 4.172 -0.354 -3.073 1.00 0.00 N ATOM 990 CA ILE A 63 3.057 -0.117 -3.974 1.00 0.00 C ATOM 991 C ILE A 63 2.715 1.374 -3.975 1.00 0.00 C ATOM 992 O ILE A 63 2.175 1.891 -2.998 1.00 0.00 O ATOM 993 CB ILE A 63 1.876 -1.019 -3.613 1.00 0.00 C ATOM 994 CG1 ILE A 63 2.284 -2.494 -3.634 1.00 0.00 C ATOM 995 CG2 ILE A 63 0.677 -0.744 -4.524 1.00 0.00 C ATOM 996 CD1 ILE A 63 1.400 -3.321 -2.699 1.00 0.00 C ATOM 0 H ILE A 63 4.053 0.032 -2.136 1.00 0.00 H new ATOM 0 HA ILE A 63 3.330 -0.382 -4.996 1.00 0.00 H new ATOM 0 HB ILE A 63 1.568 -0.785 -2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.207 -2.882 -4.650 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.327 -2.591 -3.334 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.149 -1.399 -4.246 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.368 0.296 -4.415 1.00 0.00 H new ATOM 0 HG23 ILE A 63 0.957 -0.933 -5.560 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.711 -4.365 -2.733 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.498 -2.946 -1.680 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.360 -3.242 -3.017 1.00 0.00 H new ATOM 1008 N HIS A 64 3.044 2.024 -5.082 1.00 0.00 N ATOM 1009 CA HIS A 64 2.779 3.445 -5.222 1.00 0.00 C ATOM 1010 C HIS A 64 1.304 3.724 -4.923 1.00 0.00 C ATOM 1011 O HIS A 64 0.424 3.019 -5.413 1.00 0.00 O ATOM 1012 CB HIS A 64 3.208 3.944 -6.603 1.00 0.00 C ATOM 1013 CG HIS A 64 3.640 5.391 -6.626 1.00 0.00 C ATOM 1014 ND1 HIS A 64 3.975 6.055 -7.793 1.00 0.00 N ATOM 1015 CD2 HIS A 64 3.788 6.293 -5.614 1.00 0.00 C ATOM 1016 CE1 HIS A 64 4.309 7.300 -7.485 1.00 0.00 C ATOM 1017 NE2 HIS A 64 4.193 7.445 -6.134 1.00 0.00 N ATOM 0 H HIS A 64 3.492 1.592 -5.890 1.00 0.00 H new ATOM 0 HA HIS A 64 3.373 4.002 -4.497 1.00 0.00 H new ATOM 0 HB2 HIS A 64 4.029 3.324 -6.963 1.00 0.00 H new ATOM 0 HB3 HIS A 64 2.380 3.812 -7.299 1.00 0.00 H new ATOM 0 HD1 HIS A 64 3.966 5.654 -8.731 1.00 0.00 H new ATOM 0 HD2 HIS A 64 3.606 6.102 -4.567 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.619 8.065 -8.181 1.00 0.00 H new ATOM 1025 N LEU A 65 1.081 4.753 -4.119 1.00 0.00 N ATOM 1026 CA LEU A 65 -0.272 5.134 -3.748 1.00 0.00 C ATOM 1027 C LEU A 65 -0.546 6.559 -4.232 1.00 0.00 C ATOM 1028 O LEU A 65 -1.564 7.153 -3.879 1.00 0.00 O ATOM 1029 CB LEU A 65 -0.490 4.941 -2.247 1.00 0.00 C ATOM 1030 CG LEU A 65 -0.051 3.592 -1.673 1.00 0.00 C ATOM 1031 CD1 LEU A 65 -0.150 3.587 -0.146 1.00 0.00 C ATOM 1032 CD2 LEU A 65 -0.842 2.444 -2.302 1.00 0.00 C ATOM 0 H LEU A 65 1.814 5.335 -3.714 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.999 4.486 -4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.045 5.730 -1.718 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.550 5.076 -2.034 1.00 0.00 H new ATOM 0 HG LEU A 65 0.997 3.438 -1.928 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.168 2.617 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.493 4.366 0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.182 3.774 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.510 1.497 -1.876 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.904 2.580 -2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.676 2.435 -3.379 1.00 0.00 H new ATOM 1044 N ARG A 66 0.380 7.067 -5.032 1.00 0.00 N ATOM 1045 CA ARG A 66 0.250 8.412 -5.567 1.00 0.00 C ATOM 1046 C ARG A 66 -1.130 8.600 -6.201 1.00 0.00 C ATOM 1047 O ARG A 66 -1.938 9.390 -5.714 1.00 0.00 O ATOM 1048 CB ARG A 66 1.328 8.694 -6.616 1.00 0.00 C ATOM 1049 CG ARG A 66 2.266 9.810 -6.152 1.00 0.00 C ATOM 1050 CD ARG A 66 2.972 10.463 -7.342 1.00 0.00 C ATOM 1051 NE ARG A 66 2.895 11.937 -7.230 1.00 0.00 N ATOM 1052 CZ ARG A 66 3.343 12.785 -8.165 1.00 0.00 C ATOM 1053 NH1 ARG A 66 3.902 12.312 -9.287 1.00 0.00 N ATOM 1054 NH2 ARG A 66 3.232 14.108 -7.978 1.00 0.00 N ATOM 0 H ARG A 66 1.223 6.572 -5.323 1.00 0.00 H new ATOM 0 HA ARG A 66 0.372 9.111 -4.740 1.00 0.00 H new ATOM 0 HB2 ARG A 66 1.902 7.787 -6.806 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.859 8.977 -7.558 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.699 10.562 -5.604 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.007 9.404 -5.463 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.015 10.147 -7.375 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.510 10.136 -8.274 1.00 0.00 H new ATOM 0 HE ARG A 66 2.475 12.331 -6.388 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.987 11.306 -9.430 1.00 0.00 H new ATOM 0 HH12 ARG A 66 4.243 12.958 -9.999 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.807 14.468 -7.124 1.00 0.00 H new ATOM 0 HH22 ARG A 66 3.573 14.754 -8.690 1.00 0.00 H new ATOM 1068 N GLY A 67 -1.357 7.862 -7.277 1.00 0.00 N ATOM 1069 CA GLY A 67 -2.625 7.938 -7.983 1.00 0.00 C ATOM 1070 C GLY A 67 -3.314 6.572 -8.020 1.00 0.00 C ATOM 1071 O GLY A 67 -3.996 6.243 -8.990 1.00 0.00 O ATOM 0 H GLY A 67 -0.684 7.208 -7.678 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -3.275 8.664 -7.494 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.459 8.293 -9.000 1.00 0.00 H new ATOM 1075 N CYS A 68 -3.113 5.814 -6.953 1.00 0.00 N ATOM 1076 CA CYS A 68 -3.706 4.491 -6.851 1.00 0.00 C ATOM 1077 C CYS A 68 -5.219 4.654 -6.694 1.00 0.00 C ATOM 1078 O CYS A 68 -5.718 5.773 -6.583 1.00 0.00 O ATOM 1079 CB CYS A 68 -3.097 3.684 -5.703 1.00 0.00 C ATOM 1080 SG CYS A 68 -3.624 4.385 -4.097 1.00 0.00 S ATOM 0 H CYS A 68 -2.547 6.091 -6.151 1.00 0.00 H new ATOM 0 HA CYS A 68 -3.494 3.924 -7.758 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.409 2.642 -5.774 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -2.009 3.697 -5.775 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.906 5.434 -3.825 1.00 0.00 H new ATOM 1086 N VAL A 69 -5.907 3.522 -6.690 1.00 0.00 N ATOM 1087 CA VAL A 69 -7.353 3.525 -6.548 1.00 0.00 C ATOM 1088 C VAL A 69 -7.774 2.375 -5.632 1.00 0.00 C ATOM 1089 O VAL A 69 -7.144 1.319 -5.626 1.00 0.00 O ATOM 1090 CB VAL A 69 -8.014 3.464 -7.927 1.00 0.00 C ATOM 1091 CG1 VAL A 69 -9.534 3.603 -7.813 1.00 0.00 C ATOM 1092 CG2 VAL A 69 -7.434 4.527 -8.861 1.00 0.00 C ATOM 0 H VAL A 69 -5.490 2.596 -6.783 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.689 4.451 -6.082 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.799 2.487 -8.359 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.979 3.556 -8.807 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.929 2.792 -7.200 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -9.778 4.559 -7.351 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.921 4.461 -9.834 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.604 5.516 -8.436 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.363 4.362 -8.980 1.00 0.00 H new ATOM 1102 N VAL A 70 -8.837 2.619 -4.879 1.00 0.00 N ATOM 1103 CA VAL A 70 -9.349 1.617 -3.960 1.00 0.00 C ATOM 1104 C VAL A 70 -10.726 1.151 -4.437 1.00 0.00 C ATOM 1105 O VAL A 70 -11.543 1.961 -4.871 1.00 0.00 O ATOM 1106 CB VAL A 70 -9.367 2.174 -2.535 1.00 0.00 C ATOM 1107 CG1 VAL A 70 -10.224 1.301 -1.616 1.00 0.00 C ATOM 1108 CG2 VAL A 70 -7.946 2.319 -1.985 1.00 0.00 C ATOM 0 H VAL A 70 -9.357 3.496 -4.887 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.697 0.744 -3.945 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.816 3.167 -2.569 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.220 1.719 -0.609 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -11.247 1.271 -1.992 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.817 0.290 -1.591 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.987 2.717 -0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.459 1.344 -1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.378 3.000 -2.619 1.00 0.00 H new ATOM 1118 N THR A 71 -10.941 -0.153 -4.339 1.00 0.00 N ATOM 1119 CA THR A 71 -12.205 -0.736 -4.755 1.00 0.00 C ATOM 1120 C THR A 71 -12.427 -2.080 -4.058 1.00 0.00 C ATOM 1121 O THR A 71 -11.478 -2.699 -3.578 1.00 0.00 O ATOM 1122 CB THR A 71 -12.200 -0.837 -6.282 1.00 0.00 C ATOM 1123 OG1 THR A 71 -13.417 -0.209 -6.675 1.00 0.00 O ATOM 1124 CG2 THR A 71 -12.347 -2.278 -6.774 1.00 0.00 C ATOM 0 H THR A 71 -10.261 -0.822 -3.978 1.00 0.00 H new ATOM 0 HA THR A 71 -13.046 -0.109 -4.459 1.00 0.00 H new ATOM 0 HB THR A 71 -11.274 -0.414 -6.671 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.495 -0.228 -7.652 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.337 -2.293 -7.864 1.00 0.00 H new ATOM 0 HG22 THR A 71 -11.519 -2.878 -6.395 1.00 0.00 H new ATOM 0 HG23 THR A 71 -13.289 -2.691 -6.414 1.00 0.00 H new ATOM 1132 N SER A 72 -13.685 -2.493 -4.025 1.00 0.00 N ATOM 1133 CA SER A 72 -14.044 -3.752 -3.395 1.00 0.00 C ATOM 1134 C SER A 72 -14.233 -4.834 -4.460 1.00 0.00 C ATOM 1135 O SER A 72 -14.394 -4.528 -5.640 1.00 0.00 O ATOM 1136 CB SER A 72 -15.314 -3.606 -2.555 1.00 0.00 C ATOM 1137 OG SER A 72 -15.711 -2.244 -2.420 1.00 0.00 O ATOM 0 H SER A 72 -14.469 -1.978 -4.425 1.00 0.00 H new ATOM 0 HA SER A 72 -13.233 -4.044 -2.728 1.00 0.00 H new ATOM 0 HB2 SER A 72 -16.121 -4.175 -3.016 1.00 0.00 H new ATOM 0 HB3 SER A 72 -15.146 -4.034 -1.567 1.00 0.00 H new ATOM 0 HG SER A 72 -16.526 -2.193 -1.879 1.00 0.00 H new ATOM 1143 N VAL A 73 -14.208 -6.078 -4.004 1.00 0.00 N ATOM 1144 CA VAL A 73 -14.375 -7.208 -4.903 1.00 0.00 C ATOM 1145 C VAL A 73 -15.761 -7.821 -4.692 1.00 0.00 C ATOM 1146 O VAL A 73 -16.577 -7.279 -3.948 1.00 0.00 O ATOM 1147 CB VAL A 73 -13.240 -8.213 -4.697 1.00 0.00 C ATOM 1148 CG1 VAL A 73 -11.881 -7.569 -4.981 1.00 0.00 C ATOM 1149 CG2 VAL A 73 -13.282 -8.807 -3.288 1.00 0.00 C ATOM 0 H VAL A 73 -14.075 -6.328 -3.024 1.00 0.00 H new ATOM 0 HA VAL A 73 -14.318 -6.882 -5.941 1.00 0.00 H new ATOM 0 HB VAL A 73 -13.380 -9.028 -5.407 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.091 -8.304 -4.827 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.854 -7.217 -6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.729 -6.727 -4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -12.465 -9.518 -3.168 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -13.179 -8.008 -2.553 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -14.233 -9.318 -3.137 1.00 0.00 H new ATOM 1318 N GLU A 85 -12.978 -14.774 1.793 1.00 0.00 N ATOM 1319 CA GLU A 85 -13.949 -13.735 2.091 1.00 0.00 C ATOM 1320 C GLU A 85 -13.239 -12.462 2.554 1.00 0.00 C ATOM 1321 O GLU A 85 -12.036 -12.476 2.810 1.00 0.00 O ATOM 1322 CB GLU A 85 -14.958 -14.212 3.138 1.00 0.00 C ATOM 1323 CG GLU A 85 -14.346 -15.285 4.041 1.00 0.00 C ATOM 1324 CD GLU A 85 -15.113 -15.394 5.360 1.00 0.00 C ATOM 1325 OE1 GLU A 85 -15.021 -14.431 6.152 1.00 0.00 O ATOM 1326 OE2 GLU A 85 -15.774 -16.438 5.548 1.00 0.00 O ATOM 0 HA GLU A 85 -14.501 -13.508 1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -15.287 -13.367 3.743 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -15.842 -14.611 2.641 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.358 -16.247 3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -13.302 -15.044 4.242 1.00 0.00 H new ATOM 1333 N ASN A 86 -14.014 -11.391 2.648 1.00 0.00 N ATOM 1334 CA ASN A 86 -13.474 -10.112 3.076 1.00 0.00 C ATOM 1335 C ASN A 86 -12.263 -9.759 2.209 1.00 0.00 C ATOM 1336 O ASN A 86 -11.173 -9.522 2.727 1.00 0.00 O ATOM 1337 CB ASN A 86 -13.012 -10.168 4.533 1.00 0.00 C ATOM 1338 CG ASN A 86 -14.148 -10.625 5.451 1.00 0.00 C ATOM 1339 OD1 ASN A 86 -15.318 -10.559 5.113 1.00 0.00 O ATOM 1340 ND2 ASN A 86 -13.738 -11.090 6.628 1.00 0.00 N ATOM 0 H ASN A 86 -15.011 -11.383 2.435 1.00 0.00 H new ATOM 0 HA ASN A 86 -14.260 -9.364 2.976 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -12.168 -10.852 4.625 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -12.661 -9.184 4.845 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -14.420 -11.419 7.312 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -12.742 -11.117 6.847 1.00 0.00 H new ATOM 1347 N LEU A 87 -12.496 -9.734 0.905 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.438 -9.414 -0.038 1.00 0.00 C ATOM 1349 C LEU A 87 -11.677 -8.015 -0.610 1.00 0.00 C ATOM 1350 O LEU A 87 -12.729 -7.420 -0.385 1.00 0.00 O ATOM 1351 CB LEU A 87 -11.323 -10.504 -1.105 1.00 0.00 C ATOM 1352 CG LEU A 87 -11.280 -11.944 -0.591 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -11.500 -12.941 -1.731 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -9.979 -12.218 0.166 1.00 0.00 C ATOM 0 H LEU A 87 -13.402 -9.930 0.479 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.472 -9.392 0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -12.168 -10.408 -1.787 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.420 -10.320 -1.688 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.099 -12.078 0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.465 -13.957 -1.338 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.473 -12.762 -2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.719 -12.815 -2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.974 -13.249 0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.130 -12.059 -0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.904 -11.541 1.017 1.00 0.00 H new ATOM 1366 N PHE A 88 -10.682 -7.531 -1.340 1.00 0.00 N ATOM 1367 CA PHE A 88 -10.771 -6.214 -1.946 1.00 0.00 C ATOM 1368 C PHE A 88 -9.623 -5.985 -2.931 1.00 0.00 C ATOM 1369 O PHE A 88 -8.510 -6.462 -2.714 1.00 0.00 O ATOM 1370 CB PHE A 88 -10.666 -5.192 -0.813 1.00 0.00 C ATOM 1371 CG PHE A 88 -9.335 -5.232 -0.059 1.00 0.00 C ATOM 1372 CD1 PHE A 88 -8.192 -4.832 -0.677 1.00 0.00 C ATOM 1373 CD2 PHE A 88 -9.296 -5.668 1.228 1.00 0.00 C ATOM 1374 CE1 PHE A 88 -6.956 -4.870 0.023 1.00 0.00 C ATOM 1375 CE2 PHE A 88 -8.061 -5.706 1.928 1.00 0.00 C ATOM 1376 CZ PHE A 88 -6.917 -5.306 1.310 1.00 0.00 C ATOM 0 H PHE A 88 -9.811 -8.028 -1.525 1.00 0.00 H new ATOM 0 HA PHE A 88 -11.709 -6.119 -2.494 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -10.809 -4.193 -1.225 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -11.478 -5.364 -0.106 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -8.223 -4.486 -1.699 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -10.204 -5.986 1.718 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.048 -4.553 -0.467 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.030 -6.052 2.951 1.00 0.00 H new ATOM 0 HZ PHE A 88 -5.978 -5.335 1.842 1.00 0.00 H new ATOM 1386 N GLU A 89 -9.932 -5.255 -3.993 1.00 0.00 N ATOM 1387 CA GLU A 89 -8.940 -4.957 -5.011 1.00 0.00 C ATOM 1388 C GLU A 89 -8.375 -3.550 -4.806 1.00 0.00 C ATOM 1389 O GLU A 89 -9.110 -2.626 -4.460 1.00 0.00 O ATOM 1390 CB GLU A 89 -9.531 -5.111 -6.414 1.00 0.00 C ATOM 1391 CG GLU A 89 -8.482 -4.816 -7.487 1.00 0.00 C ATOM 1392 CD GLU A 89 -9.079 -3.985 -8.625 1.00 0.00 C ATOM 1393 OE1 GLU A 89 -9.546 -2.865 -8.325 1.00 0.00 O ATOM 1394 OE2 GLU A 89 -9.056 -4.489 -9.768 1.00 0.00 O ATOM 0 H GLU A 89 -10.856 -4.861 -4.170 1.00 0.00 H new ATOM 0 HA GLU A 89 -8.124 -5.673 -4.915 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -9.913 -6.124 -6.542 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -10.377 -4.434 -6.532 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.643 -4.281 -7.043 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.089 -5.752 -7.883 1.00 0.00 H new ATOM 1401 N ILE A 90 -7.074 -3.432 -5.029 1.00 0.00 N ATOM 1402 CA ILE A 90 -6.402 -2.153 -4.873 1.00 0.00 C ATOM 1403 C ILE A 90 -5.580 -1.857 -6.129 1.00 0.00 C ATOM 1404 O ILE A 90 -4.512 -2.435 -6.326 1.00 0.00 O ATOM 1405 CB ILE A 90 -5.581 -2.133 -3.582 1.00 0.00 C ATOM 1406 CG1 ILE A 90 -6.421 -2.598 -2.390 1.00 0.00 C ATOM 1407 CG2 ILE A 90 -4.964 -0.753 -3.345 1.00 0.00 C ATOM 1408 CD1 ILE A 90 -5.733 -2.255 -1.067 1.00 0.00 C ATOM 0 H ILE A 90 -6.468 -4.200 -5.316 1.00 0.00 H new ATOM 0 HA ILE A 90 -7.131 -1.349 -4.772 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.758 -2.839 -3.691 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -7.403 -2.126 -2.426 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.582 -3.674 -2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.386 -0.767 -2.421 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.309 -0.499 -4.179 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.756 -0.009 -3.266 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.351 -2.596 -0.236 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -4.762 -2.748 -1.023 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.595 -1.176 -0.997 1.00 0.00 H new ATOM 1420 N ILE A 91 -6.108 -0.958 -6.945 1.00 0.00 N ATOM 1421 CA ILE A 91 -5.437 -0.578 -8.176 1.00 0.00 C ATOM 1422 C ILE A 91 -4.377 0.481 -7.868 1.00 0.00 C ATOM 1423 O ILE A 91 -4.635 1.425 -7.124 1.00 0.00 O ATOM 1424 CB ILE A 91 -6.457 -0.140 -9.229 1.00 0.00 C ATOM 1425 CG1 ILE A 91 -7.619 -1.131 -9.314 1.00 0.00 C ATOM 1426 CG2 ILE A 91 -5.785 0.073 -10.587 1.00 0.00 C ATOM 1427 CD1 ILE A 91 -8.942 -0.405 -9.567 1.00 0.00 C ATOM 0 H ILE A 91 -6.994 -0.481 -6.778 1.00 0.00 H new ATOM 0 HA ILE A 91 -4.917 -1.434 -8.606 1.00 0.00 H new ATOM 0 HB ILE A 91 -6.874 0.819 -8.922 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.434 -1.846 -10.115 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -7.684 -1.701 -8.387 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -6.532 0.384 -11.318 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -5.021 0.845 -10.498 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.323 -0.858 -10.914 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.751 -1.133 -9.623 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -9.136 0.292 -8.752 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.882 0.144 -10.507 1.00 0.00 H new ATOM 1439 N THR A 92 -3.205 0.288 -8.457 1.00 0.00 N ATOM 1440 CA THR A 92 -2.105 1.215 -8.255 1.00 0.00 C ATOM 1441 C THR A 92 -2.014 2.198 -9.424 1.00 0.00 C ATOM 1442 O THR A 92 -2.913 2.257 -10.261 1.00 0.00 O ATOM 1443 CB THR A 92 -0.829 0.396 -8.049 1.00 0.00 C ATOM 1444 OG1 THR A 92 -0.702 -0.357 -9.252 1.00 0.00 O ATOM 1445 CG2 THR A 92 -0.985 -0.666 -6.959 1.00 0.00 C ATOM 0 H THR A 92 -2.994 -0.497 -9.074 1.00 0.00 H new ATOM 0 HA THR A 92 -2.262 1.828 -7.368 1.00 0.00 H new ATOM 0 HB THR A 92 -0.007 1.063 -7.790 1.00 0.00 H new ATOM 0 HG1 THR A 92 0.240 -0.387 -9.521 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.051 -1.219 -6.853 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.230 -0.183 -6.013 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.785 -1.354 -7.233 1.00 0.00 H new ATOM 1453 N ALA A 93 -0.919 2.944 -9.444 1.00 0.00 N ATOM 1454 CA ALA A 93 -0.699 3.921 -10.497 1.00 0.00 C ATOM 1455 C ALA A 93 -0.349 3.194 -11.797 1.00 0.00 C ATOM 1456 O ALA A 93 -0.488 3.755 -12.883 1.00 0.00 O ATOM 1457 CB ALA A 93 0.394 4.901 -10.064 1.00 0.00 C ATOM 0 H ALA A 93 -0.175 2.892 -8.748 1.00 0.00 H new ATOM 0 HA ALA A 93 -1.604 4.501 -10.678 1.00 0.00 H new ATOM 0 HB1 ALA A 93 0.559 5.634 -10.854 1.00 0.00 H new ATOM 0 HB2 ALA A 93 0.084 5.413 -9.153 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.319 4.355 -9.876 1.00 0.00 H new ATOM 1463 N ASP A 94 0.099 1.957 -11.643 1.00 0.00 N ATOM 1464 CA ASP A 94 0.470 1.147 -12.791 1.00 0.00 C ATOM 1465 C ASP A 94 -0.736 0.317 -13.235 1.00 0.00 C ATOM 1466 O ASP A 94 -0.642 -0.464 -14.181 1.00 0.00 O ATOM 1467 CB ASP A 94 1.605 0.183 -12.441 1.00 0.00 C ATOM 1468 CG ASP A 94 2.953 0.510 -13.086 1.00 0.00 C ATOM 1469 OD1 ASP A 94 2.972 1.441 -13.920 1.00 0.00 O ATOM 1470 OD2 ASP A 94 3.934 -0.178 -12.731 1.00 0.00 O ATOM 0 H ASP A 94 0.214 1.496 -10.741 1.00 0.00 H new ATOM 0 HA ASP A 94 0.799 1.818 -13.585 1.00 0.00 H new ATOM 0 HB2 ASP A 94 1.731 0.171 -11.358 1.00 0.00 H new ATOM 0 HB3 ASP A 94 1.311 -0.824 -12.739 1.00 0.00 H new ATOM 1475 N GLU A 95 -1.841 0.513 -12.531 1.00 0.00 N ATOM 1476 CA GLU A 95 -3.064 -0.208 -12.841 1.00 0.00 C ATOM 1477 C GLU A 95 -3.018 -1.614 -12.239 1.00 0.00 C ATOM 1478 O GLU A 95 -3.962 -2.388 -12.389 1.00 0.00 O ATOM 1479 CB GLU A 95 -3.299 -0.266 -14.352 1.00 0.00 C ATOM 1480 CG GLU A 95 -2.936 1.065 -15.014 1.00 0.00 C ATOM 1481 CD GLU A 95 -3.793 1.309 -16.258 1.00 0.00 C ATOM 1482 OE1 GLU A 95 -4.980 1.654 -16.071 1.00 0.00 O ATOM 1483 OE2 GLU A 95 -3.242 1.146 -17.368 1.00 0.00 O ATOM 0 H GLU A 95 -1.915 1.161 -11.747 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.902 0.329 -12.397 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.701 -1.067 -14.786 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -4.344 -0.503 -14.552 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -3.079 1.880 -14.304 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.881 1.063 -15.289 1.00 0.00 H new ATOM 1490 N VAL A 96 -1.911 -1.901 -11.570 1.00 0.00 N ATOM 1491 CA VAL A 96 -1.730 -3.200 -10.945 1.00 0.00 C ATOM 1492 C VAL A 96 -2.838 -3.423 -9.913 1.00 0.00 C ATOM 1493 O VAL A 96 -3.117 -2.547 -9.096 1.00 0.00 O ATOM 1494 CB VAL A 96 -0.326 -3.300 -10.345 1.00 0.00 C ATOM 1495 CG1 VAL A 96 -0.070 -4.700 -9.782 1.00 0.00 C ATOM 1496 CG2 VAL A 96 0.739 -2.921 -11.376 1.00 0.00 C ATOM 0 H VAL A 96 -1.130 -1.256 -11.447 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.810 -3.995 -11.686 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.262 -2.590 -9.521 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.935 -4.745 -9.361 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -0.800 -4.918 -9.002 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.162 -5.436 -10.581 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.728 -3.000 -10.924 1.00 0.00 H new ATOM 0 HG22 VAL A 96 0.675 -3.596 -12.230 1.00 0.00 H new ATOM 0 HG23 VAL A 96 0.574 -1.897 -11.710 1.00 0.00 H new ATOM 1506 N HIS A 97 -3.440 -4.601 -9.985 1.00 0.00 N ATOM 1507 CA HIS A 97 -4.511 -4.951 -9.068 1.00 0.00 C ATOM 1508 C HIS A 97 -3.999 -5.964 -8.042 1.00 0.00 C ATOM 1509 O HIS A 97 -3.245 -6.874 -8.386 1.00 0.00 O ATOM 1510 CB HIS A 97 -5.739 -5.450 -9.832 1.00 0.00 C ATOM 1511 CG HIS A 97 -6.017 -4.694 -11.109 1.00 0.00 C ATOM 1512 ND1 HIS A 97 -7.167 -3.950 -11.305 1.00 0.00 N ATOM 1513 CD2 HIS A 97 -5.282 -4.575 -12.252 1.00 0.00 C ATOM 1514 CE1 HIS A 97 -7.117 -3.412 -12.515 1.00 0.00 C ATOM 1515 NE2 HIS A 97 -5.948 -3.801 -13.100 1.00 0.00 N ATOM 0 H HIS A 97 -3.206 -5.325 -10.664 1.00 0.00 H new ATOM 0 HA HIS A 97 -4.831 -4.064 -8.522 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -5.603 -6.505 -10.069 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.612 -5.379 -9.183 1.00 0.00 H new ATOM 0 HD1 HIS A 97 -7.925 -3.835 -10.632 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -4.321 -5.033 -12.436 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -7.869 -2.777 -12.960 1.00 0.00 H new ATOM 1523 N TYR A 98 -4.428 -5.773 -6.804 1.00 0.00 N ATOM 1524 CA TYR A 98 -4.022 -6.659 -5.726 1.00 0.00 C ATOM 1525 C TYR A 98 -5.225 -7.083 -4.882 1.00 0.00 C ATOM 1526 O TYR A 98 -5.919 -6.240 -4.315 1.00 0.00 O ATOM 1527 CB TYR A 98 -3.062 -5.848 -4.853 1.00 0.00 C ATOM 1528 CG TYR A 98 -1.673 -5.659 -5.465 1.00 0.00 C ATOM 1529 CD1 TYR A 98 -0.906 -6.760 -5.789 1.00 0.00 C ATOM 1530 CD2 TYR A 98 -1.186 -4.388 -5.692 1.00 0.00 C ATOM 1531 CE1 TYR A 98 0.402 -6.582 -6.366 1.00 0.00 C ATOM 1532 CE2 TYR A 98 0.122 -4.210 -6.268 1.00 0.00 C ATOM 1533 CZ TYR A 98 0.851 -5.316 -6.576 1.00 0.00 C ATOM 1534 OH TYR A 98 2.086 -5.148 -7.120 1.00 0.00 O ATOM 0 H TYR A 98 -5.053 -5.018 -6.523 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.562 -7.563 -6.125 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -3.500 -4.868 -4.663 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.958 -6.344 -3.888 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -1.286 -7.755 -5.610 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.786 -3.527 -5.438 1.00 0.00 H new ATOM 0 HE1 TYR A 98 1.012 -7.435 -6.626 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.515 -3.221 -6.451 1.00 0.00 H new ATOM 0 HH TYR A 98 2.275 -4.191 -7.214 1.00 0.00 H new ATOM 1544 N PHE A 99 -5.436 -8.390 -4.825 1.00 0.00 N ATOM 1545 CA PHE A 99 -6.544 -8.936 -4.060 1.00 0.00 C ATOM 1546 C PHE A 99 -6.061 -9.502 -2.723 1.00 0.00 C ATOM 1547 O PHE A 99 -5.430 -10.557 -2.683 1.00 0.00 O ATOM 1548 CB PHE A 99 -7.146 -10.070 -4.892 1.00 0.00 C ATOM 1549 CG PHE A 99 -8.018 -9.593 -6.055 1.00 0.00 C ATOM 1550 CD1 PHE A 99 -7.516 -8.718 -6.967 1.00 0.00 C ATOM 1551 CD2 PHE A 99 -9.295 -10.044 -6.178 1.00 0.00 C ATOM 1552 CE1 PHE A 99 -8.325 -8.275 -8.046 1.00 0.00 C ATOM 1553 CE2 PHE A 99 -10.104 -9.601 -7.257 1.00 0.00 C ATOM 1554 CZ PHE A 99 -9.602 -8.726 -8.169 1.00 0.00 C ATOM 0 H PHE A 99 -4.859 -9.086 -5.296 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.273 -8.153 -3.851 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.338 -10.686 -5.286 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -7.744 -10.707 -4.240 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -6.502 -8.360 -6.870 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.694 -10.740 -5.454 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -7.926 -7.579 -8.770 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -11.118 -9.959 -7.354 1.00 0.00 H new ATOM 0 HZ PHE A 99 -10.217 -8.389 -8.990 1.00 0.00 H new ATOM 1564 N LEU A 100 -6.375 -8.775 -1.661 1.00 0.00 N ATOM 1565 CA LEU A 100 -5.981 -9.191 -0.326 1.00 0.00 C ATOM 1566 C LEU A 100 -7.212 -9.690 0.433 1.00 0.00 C ATOM 1567 O LEU A 100 -8.340 -9.529 -0.032 1.00 0.00 O ATOM 1568 CB LEU A 100 -5.234 -8.063 0.389 1.00 0.00 C ATOM 1569 CG LEU A 100 -4.158 -7.347 -0.430 1.00 0.00 C ATOM 1570 CD1 LEU A 100 -3.057 -8.320 -0.858 1.00 0.00 C ATOM 1571 CD2 LEU A 100 -4.773 -6.616 -1.625 1.00 0.00 C ATOM 0 H LEU A 100 -6.898 -7.900 -1.698 1.00 0.00 H new ATOM 0 HA LEU A 100 -5.279 -10.023 -0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.963 -7.323 0.719 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.768 -8.473 1.285 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.693 -6.592 0.204 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.305 -7.786 -1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.591 -8.755 0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -3.489 -9.114 -1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.986 -6.116 -2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -5.281 -7.334 -2.269 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -5.490 -5.876 -1.269 1.00 0.00 H new ATOM 1583 N GLN A 101 -6.955 -10.287 1.588 1.00 0.00 N ATOM 1584 CA GLN A 101 -8.028 -10.811 2.415 1.00 0.00 C ATOM 1585 C GLN A 101 -7.965 -10.199 3.816 1.00 0.00 C ATOM 1586 O GLN A 101 -6.941 -10.288 4.491 1.00 0.00 O ATOM 1587 CB GLN A 101 -7.974 -12.338 2.481 1.00 0.00 C ATOM 1588 CG GLN A 101 -9.073 -12.887 3.393 1.00 0.00 C ATOM 1589 CD GLN A 101 -8.474 -13.682 4.556 1.00 0.00 C ATOM 1590 OE1 GLN A 101 -7.893 -13.138 5.480 1.00 0.00 O ATOM 1591 NE2 GLN A 101 -8.647 -14.997 4.457 1.00 0.00 N ATOM 0 H GLN A 101 -6.019 -10.419 1.970 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.979 -10.534 1.961 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.087 -12.753 1.479 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.999 -12.655 2.850 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.673 -12.064 3.781 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.743 -13.526 2.818 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -9.144 -15.387 3.656 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -8.283 -15.615 5.182 1.00 0.00 H new ATOM 1600 N ALA A 102 -9.074 -9.591 4.212 1.00 0.00 N ATOM 1601 CA ALA A 102 -9.158 -8.965 5.520 1.00 0.00 C ATOM 1602 C ALA A 102 -9.747 -9.961 6.521 1.00 0.00 C ATOM 1603 O ALA A 102 -10.866 -10.440 6.340 1.00 0.00 O ATOM 1604 CB ALA A 102 -9.984 -7.681 5.420 1.00 0.00 C ATOM 0 H ALA A 102 -9.922 -9.519 3.649 1.00 0.00 H new ATOM 0 HA ALA A 102 -8.166 -8.687 5.877 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -10.047 -7.211 6.402 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -9.507 -6.995 4.720 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -10.987 -7.920 5.067 1.00 0.00 H new ATOM 1610 N ALA A 103 -8.969 -10.243 7.555 1.00 0.00 N ATOM 1611 CA ALA A 103 -9.399 -11.173 8.584 1.00 0.00 C ATOM 1612 C ALA A 103 -10.858 -10.886 8.947 1.00 0.00 C ATOM 1613 O ALA A 103 -11.712 -11.765 8.842 1.00 0.00 O ATOM 1614 CB ALA A 103 -8.466 -11.067 9.792 1.00 0.00 C ATOM 0 H ALA A 103 -8.042 -9.843 7.702 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.345 -12.199 8.220 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.789 -11.765 10.564 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.448 -11.309 9.488 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.495 -10.051 10.186 1.00 0.00 H new ATOM 1620 N THR A 104 -11.098 -9.653 9.366 1.00 0.00 N ATOM 1621 CA THR A 104 -12.438 -9.239 9.745 1.00 0.00 C ATOM 1622 C THR A 104 -13.084 -8.428 8.620 1.00 0.00 C ATOM 1623 O THR A 104 -12.394 -7.941 7.726 1.00 0.00 O ATOM 1624 CB THR A 104 -12.341 -8.474 11.067 1.00 0.00 C ATOM 1625 OG1 THR A 104 -11.555 -7.329 10.749 1.00 0.00 O ATOM 1626 CG2 THR A 104 -11.510 -9.218 12.114 1.00 0.00 C ATOM 0 H THR A 104 -10.387 -8.927 9.452 1.00 0.00 H new ATOM 0 HA THR A 104 -13.089 -10.100 9.898 1.00 0.00 H new ATOM 0 HB THR A 104 -13.343 -8.297 11.458 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.634 -7.469 11.055 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.473 -8.632 13.032 1.00 0.00 H new ATOM 0 HG22 THR A 104 -11.966 -10.186 12.319 1.00 0.00 H new ATOM 0 HG23 THR A 104 -10.498 -9.366 11.737 1.00 0.00 H new ATOM 1634 N PRO A 105 -14.436 -8.304 8.704 1.00 0.00 N ATOM 1635 CA PRO A 105 -15.183 -7.560 7.704 1.00 0.00 C ATOM 1636 C PRO A 105 -14.998 -6.052 7.890 1.00 0.00 C ATOM 1637 O PRO A 105 -15.322 -5.269 6.999 1.00 0.00 O ATOM 1638 CB PRO A 105 -16.625 -8.008 7.876 1.00 0.00 C ATOM 1639 CG PRO A 105 -16.706 -8.629 9.261 1.00 0.00 C ATOM 1640 CD PRO A 105 -15.286 -8.866 9.749 1.00 0.00 C ATOM 0 HA PRO A 105 -14.838 -7.756 6.689 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -17.309 -7.165 7.786 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -16.904 -8.729 7.108 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -17.239 -7.969 9.945 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -17.260 -9.567 9.227 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -15.110 -8.378 10.708 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -15.088 -9.928 9.891 1.00 0.00 H new ATOM 1648 N LYS A 106 -14.478 -5.692 9.054 1.00 0.00 N ATOM 1649 CA LYS A 106 -14.247 -4.293 9.369 1.00 0.00 C ATOM 1650 C LYS A 106 -12.883 -3.870 8.821 1.00 0.00 C ATOM 1651 O LYS A 106 -12.702 -2.724 8.411 1.00 0.00 O ATOM 1652 CB LYS A 106 -14.408 -4.048 10.871 1.00 0.00 C ATOM 1653 CG LYS A 106 -14.233 -2.565 11.207 1.00 0.00 C ATOM 1654 CD LYS A 106 -15.001 -2.196 12.478 1.00 0.00 C ATOM 1655 CE LYS A 106 -14.053 -1.676 13.560 1.00 0.00 C ATOM 1656 NZ LYS A 106 -13.626 -2.780 14.449 1.00 0.00 N ATOM 0 H LYS A 106 -14.210 -6.345 9.790 1.00 0.00 H new ATOM 0 HA LYS A 106 -14.995 -3.665 8.885 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -15.393 -4.384 11.194 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -13.674 -4.638 11.420 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -13.175 -2.341 11.340 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -14.586 -1.956 10.375 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -15.748 -1.436 12.248 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -15.538 -3.069 12.849 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -13.180 -1.216 13.097 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -14.549 -0.901 14.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -12.983 -2.410 15.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -14.460 -3.201 14.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -13.134 -3.506 13.890 1.00 0.00 H new ATOM 1670 N GLU A 107 -11.957 -4.817 8.830 1.00 0.00 N ATOM 1671 CA GLU A 107 -10.615 -4.557 8.339 1.00 0.00 C ATOM 1672 C GLU A 107 -10.657 -4.172 6.859 1.00 0.00 C ATOM 1673 O GLU A 107 -10.076 -3.164 6.459 1.00 0.00 O ATOM 1674 CB GLU A 107 -9.704 -5.766 8.565 1.00 0.00 C ATOM 1675 CG GLU A 107 -8.236 -5.395 8.347 1.00 0.00 C ATOM 1676 CD GLU A 107 -7.557 -5.044 9.673 1.00 0.00 C ATOM 1677 OE1 GLU A 107 -8.210 -4.346 10.478 1.00 0.00 O ATOM 1678 OE2 GLU A 107 -6.400 -5.483 9.852 1.00 0.00 O ATOM 0 H GLU A 107 -12.110 -5.766 9.170 1.00 0.00 H new ATOM 0 HA GLU A 107 -10.200 -3.720 8.901 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -9.841 -6.144 9.578 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -9.985 -6.570 7.884 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -7.713 -6.227 7.875 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -8.169 -4.548 7.664 1.00 0.00 H new ATOM 1685 N ARG A 108 -11.349 -4.995 6.085 1.00 0.00 N ATOM 1686 CA ARG A 108 -11.475 -4.753 4.658 1.00 0.00 C ATOM 1687 C ARG A 108 -11.874 -3.299 4.399 1.00 0.00 C ATOM 1688 O ARG A 108 -11.308 -2.642 3.527 1.00 0.00 O ATOM 1689 CB ARG A 108 -12.518 -5.680 4.032 1.00 0.00 C ATOM 1690 CG ARG A 108 -12.470 -5.608 2.504 1.00 0.00 C ATOM 1691 CD ARG A 108 -13.855 -5.309 1.925 1.00 0.00 C ATOM 1692 NE ARG A 108 -14.508 -6.568 1.500 1.00 0.00 N ATOM 1693 CZ ARG A 108 -15.758 -6.642 1.023 1.00 0.00 C ATOM 1694 NH1 ARG A 108 -16.497 -5.530 0.908 1.00 0.00 N ATOM 1695 NH2 ARG A 108 -16.268 -7.827 0.662 1.00 0.00 N ATOM 0 H ARG A 108 -11.829 -5.831 6.420 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.506 -4.954 4.201 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -12.340 -6.705 4.357 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -13.513 -5.403 4.382 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -11.768 -4.834 2.195 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -12.100 -6.552 2.103 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -14.469 -4.805 2.671 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -13.765 -4.632 1.076 1.00 0.00 H new ATOM 0 HE ARG A 108 -13.973 -7.433 1.575 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -16.108 -4.628 1.183 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -17.449 -5.585 0.545 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -15.705 -8.673 0.750 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -17.220 -7.883 0.299 1.00 0.00 H new ATOM 1709 N THR A 109 -12.847 -2.839 5.173 1.00 0.00 N ATOM 1710 CA THR A 109 -13.328 -1.475 5.038 1.00 0.00 C ATOM 1711 C THR A 109 -12.282 -0.486 5.557 1.00 0.00 C ATOM 1712 O THR A 109 -12.012 0.530 4.918 1.00 0.00 O ATOM 1713 CB THR A 109 -14.672 -1.374 5.764 1.00 0.00 C ATOM 1714 OG1 THR A 109 -15.615 -1.872 4.819 1.00 0.00 O ATOM 1715 CG2 THR A 109 -15.105 0.075 5.995 1.00 0.00 C ATOM 0 H THR A 109 -13.315 -3.387 5.895 1.00 0.00 H new ATOM 0 HA THR A 109 -13.486 -1.213 3.992 1.00 0.00 H new ATOM 0 HB THR A 109 -14.607 -1.890 6.722 1.00 0.00 H new ATOM 0 HG1 THR A 109 -16.514 -1.844 5.208 1.00 0.00 H new ATOM 0 HG21 THR A 109 -16.064 0.090 6.513 1.00 0.00 H new ATOM 0 HG22 THR A 109 -14.357 0.586 6.601 1.00 0.00 H new ATOM 0 HG23 THR A 109 -15.203 0.583 5.036 1.00 0.00 H new ATOM 1723 N GLU A 110 -11.721 -0.819 6.710 1.00 0.00 N ATOM 1724 CA GLU A 110 -10.710 0.027 7.322 1.00 0.00 C ATOM 1725 C GLU A 110 -9.523 0.207 6.373 1.00 0.00 C ATOM 1726 O GLU A 110 -9.197 1.328 5.987 1.00 0.00 O ATOM 1727 CB GLU A 110 -10.256 -0.546 8.666 1.00 0.00 C ATOM 1728 CG GLU A 110 -11.316 -0.319 9.745 1.00 0.00 C ATOM 1729 CD GLU A 110 -10.667 -0.061 11.106 1.00 0.00 C ATOM 1730 OE1 GLU A 110 -10.197 1.080 11.303 1.00 0.00 O ATOM 1731 OE2 GLU A 110 -10.657 -1.010 11.919 1.00 0.00 O ATOM 0 H GLU A 110 -11.947 -1.663 7.237 1.00 0.00 H new ATOM 0 HA GLU A 110 -11.150 1.006 7.512 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -10.060 -1.613 8.563 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -9.319 -0.077 8.967 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -11.943 0.529 9.471 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -11.968 -1.190 9.808 1.00 0.00 H new ATOM 1738 N TRP A 111 -8.910 -0.915 6.024 1.00 0.00 N ATOM 1739 CA TRP A 111 -7.767 -0.896 5.128 1.00 0.00 C ATOM 1740 C TRP A 111 -8.084 0.063 3.978 1.00 0.00 C ATOM 1741 O TRP A 111 -7.386 1.057 3.784 1.00 0.00 O ATOM 1742 CB TRP A 111 -7.420 -2.307 4.651 1.00 0.00 C ATOM 1743 CG TRP A 111 -6.250 -2.948 5.401 1.00 0.00 C ATOM 1744 CD1 TRP A 111 -6.209 -4.148 5.996 1.00 0.00 C ATOM 1745 CD2 TRP A 111 -4.945 -2.369 5.613 1.00 0.00 C ATOM 1746 NE1 TRP A 111 -4.978 -4.384 6.574 1.00 0.00 N ATOM 1747 CE2 TRP A 111 -4.185 -3.268 6.333 1.00 0.00 C ATOM 1748 CE3 TRP A 111 -4.424 -1.127 5.210 1.00 0.00 C ATOM 1749 CZ2 TRP A 111 -2.860 -3.021 6.713 1.00 0.00 C ATOM 1750 CZ3 TRP A 111 -3.098 -0.896 5.597 1.00 0.00 C ATOM 1751 CH2 TRP A 111 -2.320 -1.790 6.322 1.00 0.00 C ATOM 0 H TRP A 111 -9.184 -1.843 6.346 1.00 0.00 H new ATOM 0 HA TRP A 111 -6.877 -0.537 5.646 1.00 0.00 H new ATOM 0 HB2 TRP A 111 -8.299 -2.942 4.759 1.00 0.00 H new ATOM 0 HB3 TRP A 111 -7.181 -2.272 3.588 1.00 0.00 H new ATOM 0 HD1 TRP A 111 -7.035 -4.843 6.020 1.00 0.00 H new ATOM 0 HE1 TRP A 111 -4.701 -5.223 7.084 1.00 0.00 H new ATOM 0 HE3 TRP A 111 -5.000 -0.408 4.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -2.286 -3.741 7.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -2.648 0.044 5.312 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -1.303 -1.536 6.583 1.00 0.00 H new ATOM 1762 N ILE A 112 -9.136 -0.270 3.246 1.00 0.00 N ATOM 1763 CA ILE A 112 -9.554 0.549 2.120 1.00 0.00 C ATOM 1764 C ILE A 112 -9.420 2.026 2.493 1.00 0.00 C ATOM 1765 O ILE A 112 -8.603 2.744 1.919 1.00 0.00 O ATOM 1766 CB ILE A 112 -10.959 0.154 1.663 1.00 0.00 C ATOM 1767 CG1 ILE A 112 -10.903 -0.966 0.621 1.00 0.00 C ATOM 1768 CG2 ILE A 112 -11.733 1.372 1.154 1.00 0.00 C ATOM 1769 CD1 ILE A 112 -11.939 -2.050 0.925 1.00 0.00 C ATOM 0 H ILE A 112 -9.712 -1.096 3.410 1.00 0.00 H new ATOM 0 HA ILE A 112 -8.905 0.377 1.261 1.00 0.00 H new ATOM 0 HB ILE A 112 -11.501 -0.235 2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -11.084 -0.553 -0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -9.905 -1.405 0.607 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -12.729 1.063 0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -11.820 2.108 1.953 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -11.203 1.814 0.310 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -11.878 -2.834 0.170 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -11.741 -2.477 1.908 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -12.937 -1.612 0.914 1.00 0.00 H new ATOM 1781 N LYS A 113 -10.236 2.438 3.452 1.00 0.00 N ATOM 1782 CA LYS A 113 -10.220 3.817 3.908 1.00 0.00 C ATOM 1783 C LYS A 113 -8.796 4.196 4.321 1.00 0.00 C ATOM 1784 O LYS A 113 -8.387 5.346 4.169 1.00 0.00 O ATOM 1785 CB LYS A 113 -11.258 4.029 5.013 1.00 0.00 C ATOM 1786 CG LYS A 113 -12.597 3.391 4.637 1.00 0.00 C ATOM 1787 CD LYS A 113 -13.717 4.433 4.632 1.00 0.00 C ATOM 1788 CE LYS A 113 -14.648 4.242 5.831 1.00 0.00 C ATOM 1789 NZ LYS A 113 -14.981 5.548 6.442 1.00 0.00 N ATOM 0 H LYS A 113 -10.913 1.840 3.926 1.00 0.00 H new ATOM 0 HA LYS A 113 -10.508 4.489 3.099 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -10.895 3.598 5.946 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -11.396 5.096 5.188 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -12.520 2.929 3.653 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -12.837 2.597 5.344 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -13.287 5.434 4.657 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -14.288 4.354 3.707 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -15.561 3.739 5.513 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -14.171 3.599 6.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -15.614 5.400 7.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -14.108 6.014 6.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -15.456 6.149 5.739 1.00 0.00 H new ATOM 1803 N ALA A 114 -8.081 3.207 4.836 1.00 0.00 N ATOM 1804 CA ALA A 114 -6.711 3.423 5.272 1.00 0.00 C ATOM 1805 C ALA A 114 -5.857 3.836 4.072 1.00 0.00 C ATOM 1806 O ALA A 114 -5.203 4.877 4.100 1.00 0.00 O ATOM 1807 CB ALA A 114 -6.187 2.157 5.953 1.00 0.00 C ATOM 0 H ALA A 114 -8.424 2.255 4.961 1.00 0.00 H new ATOM 0 HA ALA A 114 -6.663 4.230 6.003 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.160 2.318 6.280 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.810 1.924 6.816 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -6.217 1.326 5.248 1.00 0.00 H new ATOM 1813 N ILE A 115 -5.892 2.998 3.046 1.00 0.00 N ATOM 1814 CA ILE A 115 -5.129 3.263 1.837 1.00 0.00 C ATOM 1815 C ILE A 115 -5.594 4.586 1.226 1.00 0.00 C ATOM 1816 O ILE A 115 -4.776 5.439 0.887 1.00 0.00 O ATOM 1817 CB ILE A 115 -5.218 2.076 0.876 1.00 0.00 C ATOM 1818 CG1 ILE A 115 -4.360 0.908 1.366 1.00 0.00 C ATOM 1819 CG2 ILE A 115 -4.855 2.496 -0.549 1.00 0.00 C ATOM 1820 CD1 ILE A 115 -5.175 -0.386 1.423 1.00 0.00 C ATOM 0 H ILE A 115 -6.436 2.136 3.027 1.00 0.00 H new ATOM 0 HA ILE A 115 -4.070 3.374 2.071 1.00 0.00 H new ATOM 0 HB ILE A 115 -6.251 1.730 0.856 1.00 0.00 H new ATOM 0 HG12 ILE A 115 -3.506 0.775 0.701 1.00 0.00 H new ATOM 0 HG13 ILE A 115 -3.962 1.135 2.355 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -4.926 1.634 -1.212 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -5.543 3.271 -0.886 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -3.836 2.883 -0.566 1.00 0.00 H new ATOM 0 HD11 ILE A 115 -4.541 -1.200 1.774 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -6.014 -0.258 2.107 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -5.552 -0.623 0.428 1.00 0.00 H new ATOM 1832 N GLN A 116 -6.907 4.715 1.102 1.00 0.00 N ATOM 1833 CA GLN A 116 -7.491 5.919 0.537 1.00 0.00 C ATOM 1834 C GLN A 116 -6.942 7.159 1.246 1.00 0.00 C ATOM 1835 O GLN A 116 -6.507 8.108 0.597 1.00 0.00 O ATOM 1836 CB GLN A 116 -9.019 5.876 0.613 1.00 0.00 C ATOM 1837 CG GLN A 116 -9.566 4.621 -0.072 1.00 0.00 C ATOM 1838 CD GLN A 116 -10.590 4.987 -1.148 1.00 0.00 C ATOM 1839 OE1 GLN A 116 -10.464 5.976 -1.851 1.00 0.00 O ATOM 1840 NE2 GLN A 116 -11.608 4.135 -1.237 1.00 0.00 N ATOM 0 H GLN A 116 -7.583 4.005 1.383 1.00 0.00 H new ATOM 0 HA GLN A 116 -7.214 5.973 -0.516 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -9.336 5.893 1.656 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -9.436 6.765 0.139 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -8.746 4.060 -0.521 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -10.029 3.970 0.670 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -11.652 3.326 -0.617 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -12.345 4.291 -1.925 1.00 0.00 H new ATOM 1849 N MET A 117 -6.980 7.109 2.570 1.00 0.00 N ATOM 1850 CA MET A 117 -6.492 8.216 3.375 1.00 0.00 C ATOM 1851 C MET A 117 -5.074 8.613 2.959 1.00 0.00 C ATOM 1852 O MET A 117 -4.788 9.793 2.764 1.00 0.00 O ATOM 1853 CB MET A 117 -6.498 7.816 4.851 1.00 0.00 C ATOM 1854 CG MET A 117 -5.121 8.031 5.483 1.00 0.00 C ATOM 1855 SD MET A 117 -5.230 7.861 7.257 1.00 0.00 S ATOM 1856 CE MET A 117 -5.785 6.169 7.373 1.00 0.00 C ATOM 0 H MET A 117 -7.341 6.319 3.105 1.00 0.00 H new ATOM 0 HA MET A 117 -7.149 9.071 3.219 1.00 0.00 H new ATOM 0 HB2 MET A 117 -7.244 8.403 5.387 1.00 0.00 H new ATOM 0 HB3 MET A 117 -6.787 6.769 4.947 1.00 0.00 H new ATOM 0 HG2 MET A 117 -4.411 7.307 5.083 1.00 0.00 H new ATOM 0 HG3 MET A 117 -4.745 9.021 5.227 1.00 0.00 H new ATOM 0 HE1 MET A 117 -5.636 5.806 8.390 1.00 0.00 H new ATOM 0 HE2 MET A 117 -6.844 6.115 7.120 1.00 0.00 H new ATOM 0 HE3 MET A 117 -5.215 5.551 6.680 1.00 0.00 H new ATOM 1866 N ALA A 118 -4.224 7.604 2.834 1.00 0.00 N ATOM 1867 CA ALA A 118 -2.843 7.833 2.445 1.00 0.00 C ATOM 1868 C ALA A 118 -2.802 8.346 1.004 1.00 0.00 C ATOM 1869 O ALA A 118 -2.263 9.419 0.739 1.00 0.00 O ATOM 1870 CB ALA A 118 -2.041 6.543 2.627 1.00 0.00 C ATOM 0 H ALA A 118 -4.465 6.626 2.995 1.00 0.00 H new ATOM 0 HA ALA A 118 -2.387 8.593 3.079 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.005 6.715 2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.078 6.236 3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.468 5.758 2.003 1.00 0.00 H new ATOM 1876 N SER A 119 -3.380 7.555 0.112 1.00 0.00 N ATOM 1877 CA SER A 119 -3.416 7.916 -1.295 1.00 0.00 C ATOM 1878 C SER A 119 -4.032 9.306 -1.463 1.00 0.00 C ATOM 1879 O SER A 119 -3.709 10.022 -2.411 1.00 0.00 O ATOM 1880 CB SER A 119 -4.202 6.885 -2.108 1.00 0.00 C ATOM 1881 OG SER A 119 -5.590 6.898 -1.786 1.00 0.00 O ATOM 0 H SER A 119 -3.827 6.666 0.336 1.00 0.00 H new ATOM 0 HA SER A 119 -2.393 7.931 -1.671 1.00 0.00 H new ATOM 0 HB2 SER A 119 -4.074 7.088 -3.171 1.00 0.00 H new ATOM 0 HB3 SER A 119 -3.796 5.891 -1.922 1.00 0.00 H new ATOM 0 HG SER A 119 -5.720 7.327 -0.914 1.00 0.00 H new ATOM 1887 N ARG A 120 -4.908 9.647 -0.529 1.00 0.00 N ATOM 1888 CA ARG A 120 -5.571 10.939 -0.562 1.00 0.00 C ATOM 1889 C ARG A 120 -4.713 11.995 0.138 1.00 0.00 C ATOM 1890 O ARG A 120 -5.189 13.090 0.435 1.00 0.00 O ATOM 1891 CB ARG A 120 -6.941 10.873 0.118 1.00 0.00 C ATOM 1892 CG ARG A 120 -7.934 10.074 -0.728 1.00 0.00 C ATOM 1893 CD ARG A 120 -8.418 10.893 -1.926 1.00 0.00 C ATOM 1894 NE ARG A 120 -9.487 10.162 -2.642 1.00 0.00 N ATOM 1895 CZ ARG A 120 -10.058 10.587 -3.776 1.00 0.00 C ATOM 1896 NH1 ARG A 120 -9.667 11.742 -4.332 1.00 0.00 N ATOM 1897 NH2 ARG A 120 -11.022 9.858 -4.356 1.00 0.00 N ATOM 0 H ARG A 120 -5.174 9.051 0.255 1.00 0.00 H new ATOM 0 HA ARG A 120 -5.709 11.213 -1.608 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -6.842 10.412 1.101 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -7.322 11.882 0.276 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -7.463 9.156 -1.078 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -8.786 9.781 -0.115 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.791 11.860 -1.589 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -7.586 11.090 -2.602 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.809 9.279 -2.247 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -8.934 12.298 -3.891 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -10.102 12.065 -5.196 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -11.321 8.979 -3.933 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -11.457 10.182 -5.220 1.00 0.00 H new