USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 430 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 50 CYS SG : rot 137:sc= -1.22 USER MOD Set 1.2: A 55 CYS SG : rot 176:sc= -2.63 USER MOD Set 1.3: A 68 HIS : no HE2:sc= -4.11! C(o=-9.8!,f=-9.6!) USER MOD Set 1.4: A 72 HIS : no HE2:sc= -1.89 K(o=-9.8,f=-11) USER MOD Set 2.1: A 49 SER OG : rot 25:sc= 0.168 USER MOD Set 2.2: A 51 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 20 CYS SG : rot -166:sc= 0.34 USER MOD Set 3.2: A 25 CYS SG : rot 143:sc= -1.17 USER MOD Set 3.3: A 38 HIS : no HD1:sc= -0.375 K(o=-1.3,f=-2) USER MOD Set 3.4: A 42 HIS : no HE2:sc= -0.105 K(o=-1.3,f=-2.1) USER MOD Set 4.1: A 18 HIS : no HE2:sc= -10! C(o=-9.2!,f=-16!) USER MOD Set 4.2: A 32 SER OG : rot -105:sc= 0.824 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -0.305 X(o=-0.3,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 170:sc= -0.21 USER MOD Single : A 29 TYR OH : rot 15:sc= -2.49 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= -0.0773 USER MOD Single : A 34 HIS : no HD1:sc= -1.39 X(o=-1.4,f=-1.4) USER MOD Single : A 36 LYS NZ :NH3+ 149:sc=-0.00101 (180deg=-0.58) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.166 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N ARG A 16 -3.700 1.367 9.118 1.00 0.00 N ATOM 194 CA ARG A 16 -4.560 0.260 9.517 1.00 0.00 C ATOM 195 C ARG A 16 -4.615 0.132 11.036 1.00 0.00 C ATOM 196 O ARG A 16 -3.682 -0.369 11.662 1.00 0.00 O ATOM 197 CB ARG A 16 -4.058 -1.049 8.903 1.00 0.00 C ATOM 198 CG ARG A 16 -3.718 -0.938 7.425 1.00 0.00 C ATOM 199 CD ARG A 16 -3.026 -2.194 6.918 1.00 0.00 C ATOM 200 NE ARG A 16 -1.573 -2.108 7.048 1.00 0.00 N ATOM 201 CZ ARG A 16 -0.742 -3.063 6.645 1.00 0.00 C ATOM 202 NH1 ARG A 16 -1.217 -4.168 6.088 1.00 0.00 N ATOM 203 NH2 ARG A 16 0.567 -2.912 6.798 1.00 0.00 N ATOM 0 HA ARG A 16 -5.566 0.465 9.151 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.173 -1.380 9.447 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.819 -1.818 9.035 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.630 -0.767 6.852 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.073 -0.075 7.263 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.389 -3.058 7.474 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.288 -2.355 5.872 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.175 -1.269 7.471 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.223 -4.287 5.968 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.577 -4.900 5.780 1.00 0.00 H new ATOM 0 HH21 ARG A 16 0.936 -2.062 7.225 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.205 -3.646 6.488 1.00 0.00 H new ATOM 217 N SER A 17 -5.717 0.591 11.623 1.00 0.00 N ATOM 218 CA SER A 17 -5.893 0.533 13.069 1.00 0.00 C ATOM 219 C SER A 17 -6.732 -0.678 13.466 1.00 0.00 C ATOM 220 O SER A 17 -6.232 -1.620 14.080 1.00 0.00 O ATOM 221 CB SER A 17 -6.555 1.815 13.575 1.00 0.00 C ATOM 222 OG SER A 17 -5.585 2.782 13.937 1.00 0.00 O ATOM 0 H SER A 17 -6.500 1.007 11.119 1.00 0.00 H new ATOM 0 HA SER A 17 -4.908 0.436 13.527 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.207 2.221 12.801 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.185 1.588 14.435 1.00 0.00 H new ATOM 0 HG SER A 17 -6.034 3.593 14.255 1.00 0.00 H new ATOM 228 N HIS A 18 -8.012 -0.644 13.111 1.00 0.00 N ATOM 229 CA HIS A 18 -8.923 -1.738 13.429 1.00 0.00 C ATOM 230 C HIS A 18 -8.355 -3.073 12.957 1.00 0.00 C ATOM 231 O HIS A 18 -8.387 -3.386 11.767 1.00 0.00 O ATOM 232 CB HIS A 18 -10.289 -1.496 12.786 1.00 0.00 C ATOM 233 CG HIS A 18 -11.136 -0.511 13.531 1.00 0.00 C ATOM 234 ND1 HIS A 18 -12.403 -0.803 13.992 1.00 0.00 N ATOM 235 CD2 HIS A 18 -10.891 0.769 13.898 1.00 0.00 C ATOM 236 CE1 HIS A 18 -12.900 0.254 14.606 1.00 0.00 C ATOM 237 NE2 HIS A 18 -12.002 1.222 14.564 1.00 0.00 N ATOM 0 H HIS A 18 -8.442 0.129 12.603 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.041 -1.776 14.512 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.143 -1.139 11.766 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.823 -2.444 12.719 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -12.881 -1.697 13.876 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.989 1.329 13.703 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -13.876 0.317 15.065 1.00 0.00 H new ATOM 245 N ILE A 19 -7.834 -3.854 13.897 1.00 0.00 N ATOM 246 CA ILE A 19 -7.259 -5.155 13.576 1.00 0.00 C ATOM 247 C ILE A 19 -8.334 -6.234 13.526 1.00 0.00 C ATOM 248 O ILE A 19 -9.248 -6.255 14.351 1.00 0.00 O ATOM 249 CB ILE A 19 -6.185 -5.563 14.602 1.00 0.00 C ATOM 250 CG1 ILE A 19 -5.375 -4.341 15.039 1.00 0.00 C ATOM 251 CG2 ILE A 19 -5.270 -6.629 14.014 1.00 0.00 C ATOM 252 CD1 ILE A 19 -4.445 -3.818 13.967 1.00 0.00 C ATOM 0 H ILE A 19 -7.798 -3.609 14.887 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.796 -5.062 12.594 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.681 -5.979 15.479 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.061 -3.547 15.333 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.790 -4.600 15.922 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.516 -6.908 14.750 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.859 -7.507 13.747 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.780 -6.237 13.123 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.903 -2.952 14.346 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.735 -4.597 13.689 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.026 -3.528 13.091 1.00 0.00 H new ATOM 264 N CYS A 20 -8.219 -7.132 12.553 1.00 0.00 N ATOM 265 CA CYS A 20 -9.180 -8.217 12.395 1.00 0.00 C ATOM 266 C CYS A 20 -9.164 -9.140 13.610 1.00 0.00 C ATOM 267 O CYS A 20 -8.123 -9.687 13.973 1.00 0.00 O ATOM 268 CB CYS A 20 -8.873 -9.018 11.129 1.00 0.00 C ATOM 269 SG CYS A 20 -9.606 -10.685 11.107 1.00 0.00 S ATOM 0 H CYS A 20 -7.469 -7.129 11.862 1.00 0.00 H new ATOM 0 HA CYS A 20 -10.174 -7.778 12.307 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -9.235 -8.462 10.264 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.792 -9.107 11.021 1.00 0.00 H new ATOM 0 HG CYS A 20 -9.057 -11.388 10.161 1.00 0.00 H new ATOM 274 N SER A 21 -10.325 -9.307 14.235 1.00 0.00 N ATOM 275 CA SER A 21 -10.445 -10.160 15.411 1.00 0.00 C ATOM 276 C SER A 21 -9.620 -11.432 15.245 1.00 0.00 C ATOM 277 O SER A 21 -8.816 -11.782 16.110 1.00 0.00 O ATOM 278 CB SER A 21 -11.911 -10.518 15.661 1.00 0.00 C ATOM 279 OG SER A 21 -12.093 -11.043 16.965 1.00 0.00 O ATOM 0 H SER A 21 -11.196 -8.862 13.946 1.00 0.00 H new ATOM 0 HA SER A 21 -10.062 -9.609 16.270 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.532 -9.631 15.533 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.241 -11.248 14.922 1.00 0.00 H new ATOM 0 HG SER A 21 -13.039 -11.262 17.100 1.00 0.00 H new ATOM 285 N HIS A 22 -9.825 -12.122 14.128 1.00 0.00 N ATOM 286 CA HIS A 22 -9.101 -13.356 13.847 1.00 0.00 C ATOM 287 C HIS A 22 -7.600 -13.096 13.754 1.00 0.00 C ATOM 288 O HIS A 22 -7.124 -12.372 12.879 1.00 0.00 O ATOM 289 CB HIS A 22 -9.603 -13.982 12.545 1.00 0.00 C ATOM 290 CG HIS A 22 -9.452 -15.472 12.499 1.00 0.00 C ATOM 291 ND1 HIS A 22 -10.523 -16.335 12.407 1.00 0.00 N ATOM 292 CD2 HIS A 22 -8.345 -16.251 12.531 1.00 0.00 C ATOM 293 CE1 HIS A 22 -10.083 -17.580 12.387 1.00 0.00 C ATOM 294 NE2 HIS A 22 -8.764 -17.557 12.461 1.00 0.00 N ATOM 0 H HIS A 22 -10.487 -11.847 13.402 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.282 -14.049 14.668 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -10.654 -13.727 12.411 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.060 -13.544 11.708 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.323 -15.909 12.599 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.697 -18.466 12.321 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -8.156 -18.376 12.465 1.00 0.00 H new ATOM 302 N PRO A 23 -6.837 -13.700 14.677 1.00 0.00 N ATOM 303 CA PRO A 23 -5.379 -13.547 14.720 1.00 0.00 C ATOM 304 C PRO A 23 -4.689 -14.244 13.553 1.00 0.00 C ATOM 305 O PRO A 23 -3.817 -13.670 12.902 1.00 0.00 O ATOM 306 CB PRO A 23 -4.992 -14.212 16.044 1.00 0.00 C ATOM 307 CG PRO A 23 -6.084 -15.191 16.309 1.00 0.00 C ATOM 308 CD PRO A 23 -7.337 -14.576 15.748 1.00 0.00 C ATOM 0 HA PRO A 23 -5.076 -12.502 14.647 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.024 -14.708 15.970 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.914 -13.479 16.847 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.873 -16.149 15.834 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.187 -15.381 17.377 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.018 -15.334 15.362 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -7.882 -14.013 16.506 1.00 0.00 H new ATOM 316 N GLY A 24 -5.084 -15.487 13.292 1.00 0.00 N ATOM 317 CA GLY A 24 -4.494 -16.241 12.202 1.00 0.00 C ATOM 318 C GLY A 24 -4.633 -15.537 10.867 1.00 0.00 C ATOM 319 O GLY A 24 -3.776 -15.671 9.993 1.00 0.00 O ATOM 0 H GLY A 24 -5.803 -15.985 13.817 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.438 -16.410 12.412 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.968 -17.221 12.144 1.00 0.00 H new ATOM 323 N CYS A 25 -5.718 -14.784 10.707 1.00 0.00 N ATOM 324 CA CYS A 25 -5.968 -14.058 9.469 1.00 0.00 C ATOM 325 C CYS A 25 -4.938 -12.950 9.269 1.00 0.00 C ATOM 326 O CYS A 25 -4.139 -12.992 8.334 1.00 0.00 O ATOM 327 CB CYS A 25 -7.378 -13.462 9.479 1.00 0.00 C ATOM 328 SG CYS A 25 -7.640 -12.152 8.242 1.00 0.00 S ATOM 0 H CYS A 25 -6.437 -14.662 11.420 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.883 -14.762 8.641 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.100 -14.260 9.305 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.583 -13.057 10.470 1.00 0.00 H new ATOM 0 HG CYS A 25 -8.845 -12.243 7.763 1.00 0.00 H new ATOM 333 N GLY A 26 -4.963 -11.959 10.156 1.00 0.00 N ATOM 334 CA GLY A 26 -4.027 -10.854 10.060 1.00 0.00 C ATOM 335 C GLY A 26 -4.442 -9.831 9.021 1.00 0.00 C ATOM 336 O GLY A 26 -3.721 -9.591 8.052 1.00 0.00 O ATOM 0 H GLY A 26 -5.615 -11.902 10.939 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.944 -10.367 11.032 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.038 -11.240 9.811 1.00 0.00 H new ATOM 340 N LYS A 27 -5.608 -9.226 9.223 1.00 0.00 N ATOM 341 CA LYS A 27 -6.120 -8.223 8.296 1.00 0.00 C ATOM 342 C LYS A 27 -6.551 -6.964 9.041 1.00 0.00 C ATOM 343 O LYS A 27 -7.379 -7.022 9.952 1.00 0.00 O ATOM 344 CB LYS A 27 -7.299 -8.787 7.501 1.00 0.00 C ATOM 345 CG LYS A 27 -7.585 -8.029 6.216 1.00 0.00 C ATOM 346 CD LYS A 27 -6.655 -8.460 5.095 1.00 0.00 C ATOM 347 CE LYS A 27 -7.161 -9.717 4.404 1.00 0.00 C ATOM 348 NZ LYS A 27 -6.054 -10.483 3.767 1.00 0.00 N ATOM 0 H LYS A 27 -6.216 -9.413 10.020 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.318 -7.960 7.606 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.098 -9.831 7.260 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -8.190 -8.771 8.128 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.619 -8.197 5.916 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.473 -6.959 6.391 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.564 -7.654 4.366 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.658 -8.641 5.497 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.670 -10.351 5.130 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.897 -9.444 3.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.439 -11.332 3.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.584 -9.887 3.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.365 -10.765 4.493 1.00 0.00 H new ATOM 362 N THR A 28 -5.987 -5.827 8.650 1.00 0.00 N ATOM 363 CA THR A 28 -6.315 -4.554 9.280 1.00 0.00 C ATOM 364 C THR A 28 -6.649 -3.493 8.237 1.00 0.00 C ATOM 365 O THR A 28 -6.162 -3.545 7.108 1.00 0.00 O ATOM 366 CB THR A 28 -5.154 -4.048 10.157 1.00 0.00 C ATOM 367 OG1 THR A 28 -4.673 -5.106 10.993 1.00 0.00 O ATOM 368 CG2 THR A 28 -5.600 -2.875 11.020 1.00 0.00 C ATOM 0 H THR A 28 -5.300 -5.761 7.899 1.00 0.00 H new ATOM 0 HA THR A 28 -7.188 -4.728 9.909 1.00 0.00 H new ATOM 0 HB THR A 28 -4.351 -3.712 9.500 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.839 -4.827 11.426 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.764 -2.534 11.631 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.938 -2.060 10.380 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.418 -3.190 11.668 1.00 0.00 H new ATOM 376 N TYR A 29 -7.482 -2.533 8.623 1.00 0.00 N ATOM 377 CA TYR A 29 -7.882 -1.461 7.721 1.00 0.00 C ATOM 378 C TYR A 29 -8.119 -0.163 8.488 1.00 0.00 C ATOM 379 O TYR A 29 -8.867 -0.133 9.465 1.00 0.00 O ATOM 380 CB TYR A 29 -9.149 -1.853 6.959 1.00 0.00 C ATOM 381 CG TYR A 29 -9.017 -3.151 6.192 1.00 0.00 C ATOM 382 CD1 TYR A 29 -8.501 -3.169 4.903 1.00 0.00 C ATOM 383 CD2 TYR A 29 -9.407 -4.358 6.759 1.00 0.00 C ATOM 384 CE1 TYR A 29 -8.380 -4.350 4.199 1.00 0.00 C ATOM 385 CE2 TYR A 29 -9.288 -5.545 6.062 1.00 0.00 C ATOM 386 CZ TYR A 29 -8.773 -5.537 4.783 1.00 0.00 C ATOM 387 OH TYR A 29 -8.653 -6.716 4.086 1.00 0.00 O ATOM 0 H TYR A 29 -7.893 -2.476 9.555 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.072 -1.299 7.009 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.975 -1.940 7.665 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.407 -1.054 6.264 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.189 -2.243 4.443 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.810 -4.369 7.761 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.980 -4.345 3.196 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.597 -6.475 6.517 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.067 -6.580 3.312 1.00 0.00 H new ATOM 397 N PHE A 30 -7.476 0.909 8.036 1.00 0.00 N ATOM 398 CA PHE A 30 -7.614 2.210 8.678 1.00 0.00 C ATOM 399 C PHE A 30 -9.081 2.524 8.961 1.00 0.00 C ATOM 400 O PHE A 30 -9.445 2.893 10.077 1.00 0.00 O ATOM 401 CB PHE A 30 -7.007 3.305 7.798 1.00 0.00 C ATOM 402 CG PHE A 30 -7.650 4.649 7.985 1.00 0.00 C ATOM 403 CD1 PHE A 30 -7.420 5.388 9.135 1.00 0.00 C ATOM 404 CD2 PHE A 30 -8.482 5.176 7.011 1.00 0.00 C ATOM 405 CE1 PHE A 30 -8.011 6.625 9.310 1.00 0.00 C ATOM 406 CE2 PHE A 30 -9.074 6.413 7.179 1.00 0.00 C ATOM 407 CZ PHE A 30 -8.838 7.139 8.330 1.00 0.00 C ATOM 0 H PHE A 30 -6.854 0.902 7.227 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.078 2.177 9.626 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.942 3.387 8.016 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.096 3.011 6.752 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -6.772 4.993 9.903 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.670 4.613 6.109 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.826 7.189 10.212 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.720 6.812 6.411 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.299 8.106 8.464 1.00 0.00 H new ATOM 417 N LYS A 31 -9.919 2.376 7.941 1.00 0.00 N ATOM 418 CA LYS A 31 -11.345 2.642 8.077 1.00 0.00 C ATOM 419 C LYS A 31 -11.967 1.745 9.143 1.00 0.00 C ATOM 420 O LYS A 31 -12.225 0.566 8.902 1.00 0.00 O ATOM 421 CB LYS A 31 -12.055 2.427 6.738 1.00 0.00 C ATOM 422 CG LYS A 31 -11.907 3.594 5.776 1.00 0.00 C ATOM 423 CD LYS A 31 -12.849 4.732 6.134 1.00 0.00 C ATOM 424 CE LYS A 31 -14.236 4.511 5.549 1.00 0.00 C ATOM 425 NZ LYS A 31 -14.926 5.799 5.259 1.00 0.00 N ATOM 0 H LYS A 31 -9.634 2.073 7.010 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.467 3.681 8.384 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.660 1.527 6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.115 2.251 6.922 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.878 3.953 5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.111 3.257 4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.920 4.820 7.218 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -12.442 5.673 5.764 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -14.155 3.928 4.632 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -14.836 3.926 6.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -15.868 5.607 4.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -15.026 6.345 6.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.366 6.346 4.574 1.00 0.00 H new ATOM 439 N SER A 32 -12.207 2.312 10.320 1.00 0.00 N ATOM 440 CA SER A 32 -12.796 1.564 11.425 1.00 0.00 C ATOM 441 C SER A 32 -13.930 0.670 10.930 1.00 0.00 C ATOM 442 O SER A 32 -13.986 -0.516 11.254 1.00 0.00 O ATOM 443 CB SER A 32 -13.316 2.521 12.498 1.00 0.00 C ATOM 444 OG SER A 32 -12.257 3.267 13.073 1.00 0.00 O ATOM 0 H SER A 32 -12.003 3.288 10.534 1.00 0.00 H new ATOM 0 HA SER A 32 -12.021 0.933 11.859 1.00 0.00 H new ATOM 0 HB2 SER A 32 -14.048 3.200 12.060 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.831 1.956 13.275 1.00 0.00 H new ATOM 0 HG SER A 32 -12.055 2.915 13.965 1.00 0.00 H new ATOM 450 N SER A 33 -14.831 1.250 10.145 1.00 0.00 N ATOM 451 CA SER A 33 -15.967 0.508 9.608 1.00 0.00 C ATOM 452 C SER A 33 -15.496 -0.646 8.728 1.00 0.00 C ATOM 453 O SER A 33 -15.860 -1.801 8.952 1.00 0.00 O ATOM 454 CB SER A 33 -16.876 1.439 8.804 1.00 0.00 C ATOM 455 OG SER A 33 -16.145 2.127 7.803 1.00 0.00 O ATOM 0 H SER A 33 -14.797 2.231 9.866 1.00 0.00 H new ATOM 0 HA SER A 33 -16.529 0.096 10.446 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.676 0.861 8.342 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.348 2.158 9.473 1.00 0.00 H new ATOM 0 HG SER A 33 -16.749 2.714 7.302 1.00 0.00 H new ATOM 461 N HIS A 34 -14.682 -0.325 7.727 1.00 0.00 N ATOM 462 CA HIS A 34 -14.160 -1.334 6.813 1.00 0.00 C ATOM 463 C HIS A 34 -13.901 -2.648 7.544 1.00 0.00 C ATOM 464 O HIS A 34 -14.527 -3.667 7.252 1.00 0.00 O ATOM 465 CB HIS A 34 -12.870 -0.839 6.158 1.00 0.00 C ATOM 466 CG HIS A 34 -13.101 -0.015 4.928 1.00 0.00 C ATOM 467 ND1 HIS A 34 -12.210 0.034 3.877 1.00 0.00 N ATOM 468 CD2 HIS A 34 -14.130 0.793 4.585 1.00 0.00 C ATOM 469 CE1 HIS A 34 -12.681 0.839 2.941 1.00 0.00 C ATOM 470 NE2 HIS A 34 -13.845 1.312 3.346 1.00 0.00 N ATOM 0 H HIS A 34 -14.370 0.626 7.529 1.00 0.00 H new ATOM 0 HA HIS A 34 -14.908 -1.510 6.040 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.309 -0.248 6.881 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -12.251 -1.698 5.899 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -15.012 0.993 5.176 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -12.196 1.071 2.004 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -14.437 1.958 2.823 1.00 0.00 H new ATOM 478 N LEU A 35 -12.975 -2.616 8.497 1.00 0.00 N ATOM 479 CA LEU A 35 -12.633 -3.805 9.271 1.00 0.00 C ATOM 480 C LEU A 35 -13.882 -4.614 9.606 1.00 0.00 C ATOM 481 O LEU A 35 -14.068 -5.724 9.107 1.00 0.00 O ATOM 482 CB LEU A 35 -11.907 -3.408 10.558 1.00 0.00 C ATOM 483 CG LEU A 35 -12.039 -4.382 11.730 1.00 0.00 C ATOM 484 CD1 LEU A 35 -13.218 -3.998 12.611 1.00 0.00 C ATOM 485 CD2 LEU A 35 -12.191 -5.809 11.223 1.00 0.00 C ATOM 0 H LEU A 35 -12.448 -1.781 8.752 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.972 -4.426 8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.848 -3.285 10.331 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.280 -2.435 10.877 1.00 0.00 H new ATOM 0 HG LEU A 35 -11.130 -4.326 12.329 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.297 -4.701 13.440 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.067 -2.992 13.002 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.136 -4.025 12.023 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.284 -6.488 12.070 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.083 -5.881 10.601 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.315 -6.081 10.634 1.00 0.00 H new ATOM 497 N LYS A 36 -14.736 -4.050 10.454 1.00 0.00 N ATOM 498 CA LYS A 36 -15.970 -4.717 10.854 1.00 0.00 C ATOM 499 C LYS A 36 -16.587 -5.470 9.680 1.00 0.00 C ATOM 500 O LYS A 36 -17.024 -6.611 9.824 1.00 0.00 O ATOM 501 CB LYS A 36 -16.970 -3.696 11.402 1.00 0.00 C ATOM 502 CG LYS A 36 -16.523 -3.040 12.697 1.00 0.00 C ATOM 503 CD LYS A 36 -17.685 -2.375 13.416 1.00 0.00 C ATOM 504 CE LYS A 36 -17.980 -0.998 12.842 1.00 0.00 C ATOM 505 NZ LYS A 36 -18.928 -1.066 11.695 1.00 0.00 N ATOM 0 H LYS A 36 -14.596 -3.133 10.878 1.00 0.00 H new ATOM 0 HA LYS A 36 -15.728 -5.436 11.636 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.135 -2.923 10.651 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -17.927 -4.190 11.567 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -16.072 -3.789 13.348 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -15.754 -2.298 12.483 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -18.572 -3.003 13.334 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -17.455 -2.286 14.478 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -18.399 -0.362 13.622 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -17.049 -0.533 12.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -19.499 -0.197 11.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -18.393 -1.161 10.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -19.555 -1.888 11.811 1.00 0.00 H new ATOM 519 N ALA A 37 -16.619 -4.824 8.519 1.00 0.00 N ATOM 520 CA ALA A 37 -17.180 -5.435 7.321 1.00 0.00 C ATOM 521 C ALA A 37 -16.423 -6.704 6.946 1.00 0.00 C ATOM 522 O ALA A 37 -17.023 -7.760 6.743 1.00 0.00 O ATOM 523 CB ALA A 37 -17.159 -4.445 6.165 1.00 0.00 C ATOM 0 H ALA A 37 -16.263 -3.878 8.383 1.00 0.00 H new ATOM 0 HA ALA A 37 -18.214 -5.709 7.533 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -17.581 -4.914 5.276 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.750 -3.567 6.427 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -16.131 -4.143 5.963 1.00 0.00 H new ATOM 529 N HIS A 38 -15.101 -6.594 6.854 1.00 0.00 N ATOM 530 CA HIS A 38 -14.261 -7.734 6.503 1.00 0.00 C ATOM 531 C HIS A 38 -14.616 -8.952 7.351 1.00 0.00 C ATOM 532 O HIS A 38 -14.865 -10.037 6.825 1.00 0.00 O ATOM 533 CB HIS A 38 -12.784 -7.383 6.687 1.00 0.00 C ATOM 534 CG HIS A 38 -11.903 -8.578 6.873 1.00 0.00 C ATOM 535 ND1 HIS A 38 -11.232 -9.188 5.835 1.00 0.00 N ATOM 536 CD2 HIS A 38 -11.583 -9.277 7.988 1.00 0.00 C ATOM 537 CE1 HIS A 38 -10.538 -10.211 6.301 1.00 0.00 C ATOM 538 NE2 HIS A 38 -10.733 -10.287 7.605 1.00 0.00 N ATOM 0 H HIS A 38 -14.589 -5.727 7.018 1.00 0.00 H new ATOM 0 HA HIS A 38 -14.441 -7.977 5.456 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -12.442 -6.821 5.818 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.680 -6.727 7.551 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -11.931 -9.078 8.991 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -9.917 -10.873 5.715 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -10.320 -10.982 8.227 1.00 0.00 H new ATOM 546 N THR A 39 -14.637 -8.764 8.667 1.00 0.00 N ATOM 547 CA THR A 39 -14.959 -9.848 9.587 1.00 0.00 C ATOM 548 C THR A 39 -15.996 -10.790 8.987 1.00 0.00 C ATOM 549 O THR A 39 -15.975 -11.994 9.242 1.00 0.00 O ATOM 550 CB THR A 39 -15.491 -9.305 10.928 1.00 0.00 C ATOM 551 OG1 THR A 39 -14.497 -8.486 11.554 1.00 0.00 O ATOM 552 CG2 THR A 39 -15.875 -10.446 11.859 1.00 0.00 C ATOM 0 H THR A 39 -14.435 -7.872 9.119 1.00 0.00 H new ATOM 0 HA THR A 39 -14.034 -10.397 9.765 1.00 0.00 H new ATOM 0 HB THR A 39 -16.379 -8.707 10.726 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.843 -8.144 12.404 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.248 -10.039 12.799 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.652 -11.051 11.392 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.000 -11.067 12.054 1.00 0.00 H new ATOM 560 N ARG A 40 -16.901 -10.235 8.187 1.00 0.00 N ATOM 561 CA ARG A 40 -17.945 -11.027 7.550 1.00 0.00 C ATOM 562 C ARG A 40 -17.358 -12.269 6.887 1.00 0.00 C ATOM 563 O ARG A 40 -17.840 -13.384 7.094 1.00 0.00 O ATOM 564 CB ARG A 40 -18.692 -10.186 6.513 1.00 0.00 C ATOM 565 CG ARG A 40 -19.665 -9.190 7.122 1.00 0.00 C ATOM 566 CD ARG A 40 -20.584 -8.593 6.067 1.00 0.00 C ATOM 567 NE ARG A 40 -21.103 -7.289 6.469 1.00 0.00 N ATOM 568 CZ ARG A 40 -21.708 -6.450 5.635 1.00 0.00 C ATOM 569 NH1 ARG A 40 -21.870 -6.779 4.360 1.00 0.00 N ATOM 570 NH2 ARG A 40 -22.154 -5.281 6.075 1.00 0.00 N ATOM 0 H ARG A 40 -16.932 -9.240 7.965 1.00 0.00 H new ATOM 0 HA ARG A 40 -18.646 -11.346 8.322 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.966 -9.646 5.905 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -19.238 -10.851 5.843 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -20.262 -9.685 7.888 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -19.110 -8.393 7.616 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -20.041 -8.493 5.127 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -21.416 -9.273 5.883 1.00 0.00 H new ATOM 0 HE ARG A 40 -20.995 -7.007 7.443 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -21.530 -7.678 4.018 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -22.335 -6.133 3.722 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -22.033 -5.025 7.055 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -22.618 -4.638 5.434 1.00 0.00 H new ATOM 584 N THR A 41 -16.315 -12.069 6.087 1.00 0.00 N ATOM 585 CA THR A 41 -15.663 -13.173 5.393 1.00 0.00 C ATOM 586 C THR A 41 -15.389 -14.334 6.341 1.00 0.00 C ATOM 587 O THR A 41 -15.230 -15.476 5.908 1.00 0.00 O ATOM 588 CB THR A 41 -14.336 -12.726 4.751 1.00 0.00 C ATOM 589 OG1 THR A 41 -13.835 -13.757 3.894 1.00 0.00 O ATOM 590 CG2 THR A 41 -13.301 -12.398 5.817 1.00 0.00 C ATOM 0 H THR A 41 -15.904 -11.154 5.904 1.00 0.00 H new ATOM 0 HA THR A 41 -16.346 -13.501 4.610 1.00 0.00 H new ATOM 0 HB THR A 41 -14.527 -11.827 4.165 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.992 -13.465 3.489 1.00 0.00 H new ATOM 0 HG21 THR A 41 -12.373 -12.085 5.339 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.673 -11.592 6.450 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.115 -13.282 6.427 1.00 0.00 H new ATOM 598 N HIS A 42 -15.336 -14.037 7.635 1.00 0.00 N ATOM 599 CA HIS A 42 -15.082 -15.059 8.645 1.00 0.00 C ATOM 600 C HIS A 42 -16.391 -15.637 9.173 1.00 0.00 C ATOM 601 O HIS A 42 -16.618 -16.846 9.109 1.00 0.00 O ATOM 602 CB HIS A 42 -14.268 -14.473 9.799 1.00 0.00 C ATOM 603 CG HIS A 42 -12.863 -14.116 9.420 1.00 0.00 C ATOM 604 ND1 HIS A 42 -11.935 -15.049 9.007 1.00 0.00 N ATOM 605 CD2 HIS A 42 -12.231 -12.920 9.392 1.00 0.00 C ATOM 606 CE1 HIS A 42 -10.791 -14.440 8.743 1.00 0.00 C ATOM 607 NE2 HIS A 42 -10.945 -13.148 8.968 1.00 0.00 N ATOM 0 H HIS A 42 -15.465 -13.097 8.010 1.00 0.00 H new ATOM 0 HA HIS A 42 -14.512 -15.863 8.179 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -14.772 -13.582 10.173 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.243 -15.192 10.618 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -12.104 -16.051 8.919 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.659 -11.964 9.654 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -9.885 -14.918 8.401 1.00 0.00 H new ATOM 651 N LYS A 46 -23.309 -22.075 6.943 1.00 0.00 N ATOM 652 CA LYS A 46 -23.382 -22.928 5.764 1.00 0.00 C ATOM 653 C LYS A 46 -24.634 -23.797 5.798 1.00 0.00 C ATOM 654 O LYS A 46 -25.004 -24.357 6.830 1.00 0.00 O ATOM 655 CB LYS A 46 -22.136 -23.812 5.671 1.00 0.00 C ATOM 656 CG LYS A 46 -20.923 -23.096 5.104 1.00 0.00 C ATOM 657 CD LYS A 46 -20.353 -22.095 6.095 1.00 0.00 C ATOM 658 CE LYS A 46 -19.056 -21.485 5.587 1.00 0.00 C ATOM 659 NZ LYS A 46 -18.276 -20.846 6.684 1.00 0.00 N ATOM 0 HA LYS A 46 -23.431 -22.286 4.884 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -21.893 -24.189 6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -22.361 -24.678 5.048 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -20.158 -23.827 4.842 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -21.200 -22.581 4.184 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -21.082 -21.305 6.276 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -20.175 -22.588 7.050 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -18.451 -22.259 5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -19.279 -20.743 4.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -17.399 -20.442 6.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -18.843 -20.090 7.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -18.040 -21.559 7.403 1.00 0.00 H new ATOM 673 N PRO A 47 -25.304 -23.918 4.641 1.00 0.00 N ATOM 674 CA PRO A 47 -26.524 -24.719 4.513 1.00 0.00 C ATOM 675 C PRO A 47 -26.249 -26.215 4.621 1.00 0.00 C ATOM 676 O PRO A 47 -27.170 -27.030 4.585 1.00 0.00 O ATOM 677 CB PRO A 47 -27.033 -24.370 3.112 1.00 0.00 C ATOM 678 CG PRO A 47 -25.818 -23.944 2.362 1.00 0.00 C ATOM 679 CD PRO A 47 -24.922 -23.280 3.370 1.00 0.00 C ATOM 0 HA PRO A 47 -27.238 -24.502 5.307 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -27.509 -25.229 2.639 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -27.776 -23.573 3.148 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -25.323 -24.800 1.903 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -26.077 -23.256 1.557 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -23.869 -23.442 3.140 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -25.079 -22.202 3.399 1.00 0.00 H new ATOM 687 N PHE A 48 -24.975 -26.570 4.755 1.00 0.00 N ATOM 688 CA PHE A 48 -24.578 -27.968 4.867 1.00 0.00 C ATOM 689 C PHE A 48 -23.482 -28.139 5.915 1.00 0.00 C ATOM 690 O PHE A 48 -22.385 -27.598 5.775 1.00 0.00 O ATOM 691 CB PHE A 48 -24.094 -28.494 3.515 1.00 0.00 C ATOM 692 CG PHE A 48 -25.199 -28.688 2.517 1.00 0.00 C ATOM 693 CD1 PHE A 48 -26.003 -29.814 2.564 1.00 0.00 C ATOM 694 CD2 PHE A 48 -25.431 -27.743 1.529 1.00 0.00 C ATOM 695 CE1 PHE A 48 -27.021 -29.996 1.647 1.00 0.00 C ATOM 696 CE2 PHE A 48 -26.448 -27.919 0.610 1.00 0.00 C ATOM 697 CZ PHE A 48 -27.243 -29.047 0.668 1.00 0.00 C ATOM 0 H PHE A 48 -24.200 -25.908 4.789 1.00 0.00 H new ATOM 0 HA PHE A 48 -25.449 -28.543 5.180 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -23.362 -27.798 3.104 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -23.581 -29.444 3.666 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -25.833 -30.559 3.327 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -24.811 -26.860 1.477 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -27.642 -30.878 1.696 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -26.621 -27.175 -0.153 1.00 0.00 H new ATOM 0 HZ PHE A 48 -28.037 -29.187 -0.051 1.00 0.00 H new ATOM 707 N SER A 49 -23.786 -28.896 6.965 1.00 0.00 N ATOM 708 CA SER A 49 -22.830 -29.136 8.038 1.00 0.00 C ATOM 709 C SER A 49 -22.598 -30.630 8.236 1.00 0.00 C ATOM 710 O SER A 49 -23.542 -31.399 8.418 1.00 0.00 O ATOM 711 CB SER A 49 -23.326 -28.508 9.342 1.00 0.00 C ATOM 712 OG SER A 49 -24.615 -28.991 9.681 1.00 0.00 O ATOM 0 H SER A 49 -24.688 -29.354 7.095 1.00 0.00 H new ATOM 0 HA SER A 49 -21.884 -28.674 7.757 1.00 0.00 H new ATOM 0 HB2 SER A 49 -22.626 -28.733 10.147 1.00 0.00 H new ATOM 0 HB3 SER A 49 -23.356 -27.423 9.239 1.00 0.00 H new ATOM 0 HG SER A 49 -24.750 -29.874 9.279 1.00 0.00 H new ATOM 718 N CYS A 50 -21.333 -31.036 8.198 1.00 0.00 N ATOM 719 CA CYS A 50 -20.974 -32.439 8.372 1.00 0.00 C ATOM 720 C CYS A 50 -21.756 -33.061 9.525 1.00 0.00 C ATOM 721 O CYS A 50 -22.379 -34.112 9.371 1.00 0.00 O ATOM 722 CB CYS A 50 -19.472 -32.575 8.628 1.00 0.00 C ATOM 723 SG CYS A 50 -18.881 -34.296 8.694 1.00 0.00 S ATOM 0 H CYS A 50 -20.539 -30.413 8.048 1.00 0.00 H new ATOM 0 HA CYS A 50 -21.229 -32.970 7.455 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -18.931 -32.047 7.843 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -19.229 -32.082 9.569 1.00 0.00 H new ATOM 0 HG CYS A 50 -17.767 -34.398 8.032 1.00 0.00 H new ATOM 728 N SER A 51 -21.718 -32.405 10.681 1.00 0.00 N ATOM 729 CA SER A 51 -22.420 -32.895 11.861 1.00 0.00 C ATOM 730 C SER A 51 -21.889 -34.263 12.280 1.00 0.00 C ATOM 731 O SER A 51 -22.661 -35.180 12.564 1.00 0.00 O ATOM 732 CB SER A 51 -23.924 -32.980 11.588 1.00 0.00 C ATOM 733 OG SER A 51 -24.528 -31.700 11.659 1.00 0.00 O ATOM 0 H SER A 51 -21.209 -31.533 10.825 1.00 0.00 H new ATOM 0 HA SER A 51 -22.245 -32.192 12.675 1.00 0.00 H new ATOM 0 HB2 SER A 51 -24.094 -33.412 10.602 1.00 0.00 H new ATOM 0 HB3 SER A 51 -24.391 -33.647 12.313 1.00 0.00 H new ATOM 0 HG SER A 51 -25.488 -31.781 11.479 1.00 0.00 H new ATOM 739 N TRP A 52 -20.568 -34.393 12.314 1.00 0.00 N ATOM 740 CA TRP A 52 -19.934 -35.648 12.698 1.00 0.00 C ATOM 741 C TRP A 52 -19.808 -35.755 14.214 1.00 0.00 C ATOM 742 O TRP A 52 -20.187 -34.838 14.944 1.00 0.00 O ATOM 743 CB TRP A 52 -18.553 -35.764 12.050 1.00 0.00 C ATOM 744 CG TRP A 52 -18.057 -37.175 11.955 1.00 0.00 C ATOM 745 CD1 TRP A 52 -16.894 -37.672 12.471 1.00 0.00 C ATOM 746 CD2 TRP A 52 -18.710 -38.271 11.305 1.00 0.00 C ATOM 747 NE1 TRP A 52 -16.784 -39.010 12.180 1.00 0.00 N ATOM 748 CE2 TRP A 52 -17.886 -39.401 11.465 1.00 0.00 C ATOM 749 CE3 TRP A 52 -19.911 -38.407 10.604 1.00 0.00 C ATOM 750 CZ2 TRP A 52 -18.225 -40.650 10.950 1.00 0.00 C ATOM 751 CZ3 TRP A 52 -20.246 -39.646 10.092 1.00 0.00 C ATOM 752 CH2 TRP A 52 -19.406 -40.754 10.267 1.00 0.00 C ATOM 0 H TRP A 52 -19.915 -33.645 12.080 1.00 0.00 H new ATOM 0 HA TRP A 52 -20.563 -36.466 12.347 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -18.592 -35.332 11.050 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -17.839 -35.174 12.625 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -16.168 -37.097 13.026 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -16.008 -39.614 12.452 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -20.566 -37.559 10.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -17.579 -41.505 11.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -21.171 -39.762 9.547 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -19.697 -41.709 9.855 1.00 0.00 H new ATOM 763 N LYS A 53 -19.274 -36.877 14.682 1.00 0.00 N ATOM 764 CA LYS A 53 -19.098 -37.103 16.111 1.00 0.00 C ATOM 765 C LYS A 53 -18.132 -36.084 16.708 1.00 0.00 C ATOM 766 O LYS A 53 -18.233 -35.732 17.882 1.00 0.00 O ATOM 767 CB LYS A 53 -18.580 -38.521 16.365 1.00 0.00 C ATOM 768 CG LYS A 53 -17.357 -38.878 15.538 1.00 0.00 C ATOM 769 CD LYS A 53 -16.537 -39.973 16.200 1.00 0.00 C ATOM 770 CE LYS A 53 -15.144 -40.069 15.597 1.00 0.00 C ATOM 771 NZ LYS A 53 -14.393 -41.246 16.118 1.00 0.00 N ATOM 0 H LYS A 53 -18.955 -37.645 14.092 1.00 0.00 H new ATOM 0 HA LYS A 53 -20.068 -36.985 16.594 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -18.337 -38.626 17.422 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -19.376 -39.234 16.148 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -17.670 -39.205 14.547 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -16.738 -37.991 15.400 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -16.459 -39.774 17.269 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -17.049 -40.929 16.090 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -15.222 -40.139 14.512 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -14.589 -39.157 15.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -13.449 -41.276 15.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -14.296 -41.167 17.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -14.909 -42.118 15.885 1.00 0.00 H new ATOM 785 N GLY A 54 -17.196 -35.612 15.889 1.00 0.00 N ATOM 786 CA GLY A 54 -16.227 -34.636 16.353 1.00 0.00 C ATOM 787 C GLY A 54 -15.561 -33.893 15.213 1.00 0.00 C ATOM 788 O GLY A 54 -14.395 -33.509 15.310 1.00 0.00 O ATOM 0 H GLY A 54 -17.092 -35.888 14.913 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.723 -33.920 17.009 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.465 -35.140 16.948 1.00 0.00 H new ATOM 792 N CYS A 55 -16.301 -33.689 14.129 1.00 0.00 N ATOM 793 CA CYS A 55 -15.775 -32.989 12.963 1.00 0.00 C ATOM 794 C CYS A 55 -16.130 -31.506 13.015 1.00 0.00 C ATOM 795 O CYS A 55 -15.248 -30.647 13.010 1.00 0.00 O ATOM 796 CB CYS A 55 -16.323 -33.611 11.677 1.00 0.00 C ATOM 797 SG CYS A 55 -15.590 -32.936 10.153 1.00 0.00 S ATOM 0 H CYS A 55 -17.268 -33.999 14.033 1.00 0.00 H new ATOM 0 HA CYS A 55 -14.689 -33.086 12.971 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -16.151 -34.687 11.705 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -17.402 -33.462 11.645 1.00 0.00 H new ATOM 0 HG CYS A 55 -16.051 -33.585 9.125 1.00 0.00 H new ATOM 802 N GLU A 56 -17.426 -31.214 13.064 1.00 0.00 N ATOM 803 CA GLU A 56 -17.896 -29.835 13.116 1.00 0.00 C ATOM 804 C GLU A 56 -17.396 -29.044 11.909 1.00 0.00 C ATOM 805 O GLU A 56 -16.994 -27.888 12.035 1.00 0.00 O ATOM 806 CB GLU A 56 -17.430 -29.162 14.408 1.00 0.00 C ATOM 807 CG GLU A 56 -18.227 -27.919 14.769 1.00 0.00 C ATOM 808 CD GLU A 56 -19.696 -28.215 14.999 1.00 0.00 C ATOM 809 OE1 GLU A 56 -20.000 -29.220 15.676 1.00 0.00 O ATOM 810 OE2 GLU A 56 -20.543 -27.444 14.501 1.00 0.00 O ATOM 0 H GLU A 56 -18.168 -31.913 13.069 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.986 -29.849 13.095 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.500 -29.878 15.226 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.378 -28.893 14.309 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.805 -27.470 15.668 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.129 -27.184 13.970 1.00 0.00 H new ATOM 817 N ARG A 57 -17.426 -29.677 10.741 1.00 0.00 N ATOM 818 CA ARG A 57 -16.975 -29.035 9.512 1.00 0.00 C ATOM 819 C ARG A 57 -18.126 -28.891 8.520 1.00 0.00 C ATOM 820 O ARG A 57 -18.666 -29.885 8.033 1.00 0.00 O ATOM 821 CB ARG A 57 -15.838 -29.839 8.879 1.00 0.00 C ATOM 822 CG ARG A 57 -14.584 -29.899 9.734 1.00 0.00 C ATOM 823 CD ARG A 57 -13.671 -28.711 9.468 1.00 0.00 C ATOM 824 NE ARG A 57 -12.900 -28.338 10.650 1.00 0.00 N ATOM 825 CZ ARG A 57 -11.748 -27.679 10.597 1.00 0.00 C ATOM 826 NH1 ARG A 57 -11.237 -27.322 9.427 1.00 0.00 N ATOM 827 NH2 ARG A 57 -11.104 -27.375 11.718 1.00 0.00 N ATOM 0 H ARG A 57 -17.758 -30.634 10.620 1.00 0.00 H new ATOM 0 HA ARG A 57 -16.609 -28.040 9.764 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -16.185 -30.854 8.687 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -15.588 -29.400 7.913 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -14.861 -29.917 10.788 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.047 -30.825 9.530 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -12.990 -28.953 8.652 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -14.269 -27.860 9.142 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.266 -28.597 11.566 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.729 -27.553 8.564 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -10.352 -26.816 9.390 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.494 -27.648 12.620 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.219 -26.869 11.677 1.00 0.00 H new ATOM 841 N ARG A 58 -18.496 -27.649 8.228 1.00 0.00 N ATOM 842 CA ARG A 58 -19.583 -27.376 7.295 1.00 0.00 C ATOM 843 C ARG A 58 -19.053 -26.736 6.015 1.00 0.00 C ATOM 844 O ARG A 58 -17.969 -26.155 6.002 1.00 0.00 O ATOM 845 CB ARG A 58 -20.621 -26.459 7.944 1.00 0.00 C ATOM 846 CG ARG A 58 -20.018 -25.236 8.617 1.00 0.00 C ATOM 847 CD ARG A 58 -21.053 -24.487 9.441 1.00 0.00 C ATOM 848 NE ARG A 58 -20.689 -23.086 9.635 1.00 0.00 N ATOM 849 CZ ARG A 58 -19.824 -22.672 10.555 1.00 0.00 C ATOM 850 NH1 ARG A 58 -19.239 -23.546 11.361 1.00 0.00 N ATOM 851 NH2 ARG A 58 -19.545 -21.379 10.669 1.00 0.00 N ATOM 0 H ARG A 58 -18.060 -26.816 8.623 1.00 0.00 H new ATOM 0 HA ARG A 58 -20.055 -28.324 7.038 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -21.330 -26.132 7.184 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -21.185 -27.028 8.683 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -19.192 -25.543 9.259 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -19.603 -24.570 7.860 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -22.022 -24.544 8.945 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -21.163 -24.971 10.412 1.00 0.00 H new ATOM 0 HE ARG A 58 -21.122 -22.387 9.031 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -19.452 -24.540 11.276 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -18.576 -23.225 12.066 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -19.995 -20.704 10.051 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -18.881 -21.061 11.375 1.00 0.00 H new ATOM 865 N PHE A 59 -19.827 -26.851 4.940 1.00 0.00 N ATOM 866 CA PHE A 59 -19.435 -26.285 3.654 1.00 0.00 C ATOM 867 C PHE A 59 -20.572 -25.465 3.051 1.00 0.00 C ATOM 868 O PHE A 59 -21.747 -25.778 3.243 1.00 0.00 O ATOM 869 CB PHE A 59 -19.026 -27.398 2.687 1.00 0.00 C ATOM 870 CG PHE A 59 -17.969 -28.312 3.238 1.00 0.00 C ATOM 871 CD1 PHE A 59 -18.286 -29.259 4.199 1.00 0.00 C ATOM 872 CD2 PHE A 59 -16.660 -28.226 2.793 1.00 0.00 C ATOM 873 CE1 PHE A 59 -17.315 -30.100 4.708 1.00 0.00 C ATOM 874 CE2 PHE A 59 -15.685 -29.066 3.299 1.00 0.00 C ATOM 875 CZ PHE A 59 -16.013 -30.005 4.257 1.00 0.00 C ATOM 0 H PHE A 59 -20.727 -27.330 4.934 1.00 0.00 H new ATOM 0 HA PHE A 59 -18.583 -25.625 3.820 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -19.906 -27.987 2.430 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -18.662 -26.950 1.763 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -19.303 -29.340 4.554 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -16.398 -27.495 2.043 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -17.574 -30.832 5.459 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -14.668 -28.988 2.945 1.00 0.00 H new ATOM 0 HZ PHE A 59 -15.254 -30.663 4.652 1.00 0.00 H new ATOM 885 N ALA A 60 -20.213 -24.413 2.322 1.00 0.00 N ATOM 886 CA ALA A 60 -21.203 -23.549 1.691 1.00 0.00 C ATOM 887 C ALA A 60 -21.931 -24.278 0.567 1.00 0.00 C ATOM 888 O ALA A 60 -23.152 -24.177 0.439 1.00 0.00 O ATOM 889 CB ALA A 60 -20.538 -22.287 1.159 1.00 0.00 C ATOM 0 H ALA A 60 -19.245 -24.139 2.154 1.00 0.00 H new ATOM 0 HA ALA A 60 -21.939 -23.270 2.445 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -21.288 -21.650 0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -20.068 -21.749 1.982 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -19.781 -22.557 0.423 1.00 0.00 H new ATOM 895 N ARG A 61 -21.176 -25.011 -0.244 1.00 0.00 N ATOM 896 CA ARG A 61 -21.750 -25.755 -1.358 1.00 0.00 C ATOM 897 C ARG A 61 -21.925 -27.227 -0.996 1.00 0.00 C ATOM 898 O ARG A 61 -21.020 -27.852 -0.441 1.00 0.00 O ATOM 899 CB ARG A 61 -20.863 -25.625 -2.598 1.00 0.00 C ATOM 900 CG ARG A 61 -20.818 -24.217 -3.169 1.00 0.00 C ATOM 901 CD ARG A 61 -20.153 -24.192 -4.537 1.00 0.00 C ATOM 902 NE ARG A 61 -19.680 -22.857 -4.890 1.00 0.00 N ATOM 903 CZ ARG A 61 -19.466 -22.459 -6.140 1.00 0.00 C ATOM 904 NH1 ARG A 61 -19.682 -23.292 -7.149 1.00 0.00 N ATOM 905 NH2 ARG A 61 -19.036 -21.228 -6.383 1.00 0.00 N ATOM 0 H ARG A 61 -20.165 -25.106 -0.150 1.00 0.00 H new ATOM 0 HA ARG A 61 -22.731 -25.333 -1.576 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -19.850 -25.938 -2.344 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -21.225 -26.308 -3.366 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -21.831 -23.823 -3.248 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -20.274 -23.564 -2.487 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -19.314 -24.888 -4.545 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -20.861 -24.537 -5.291 1.00 0.00 H new ATOM 0 HE ARG A 61 -19.504 -22.193 -4.136 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -20.013 -24.239 -6.966 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -19.517 -22.985 -8.108 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -18.869 -20.584 -5.610 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -18.873 -20.925 -7.343 1.00 0.00 H new ATOM 919 N SER A 62 -23.092 -27.775 -1.314 1.00 0.00 N ATOM 920 CA SER A 62 -23.387 -29.173 -1.019 1.00 0.00 C ATOM 921 C SER A 62 -22.247 -30.077 -1.479 1.00 0.00 C ATOM 922 O SER A 62 -21.671 -30.821 -0.685 1.00 0.00 O ATOM 923 CB SER A 62 -24.693 -29.595 -1.695 1.00 0.00 C ATOM 924 OG SER A 62 -24.631 -29.389 -3.096 1.00 0.00 O ATOM 0 H SER A 62 -23.850 -27.273 -1.776 1.00 0.00 H new ATOM 0 HA SER A 62 -23.496 -29.276 0.061 1.00 0.00 H new ATOM 0 HB2 SER A 62 -24.891 -30.647 -1.487 1.00 0.00 H new ATOM 0 HB3 SER A 62 -25.523 -29.026 -1.277 1.00 0.00 H new ATOM 0 HG SER A 62 -25.477 -29.668 -3.505 1.00 0.00 H new ATOM 930 N ASP A 63 -21.929 -30.008 -2.767 1.00 0.00 N ATOM 931 CA ASP A 63 -20.858 -30.818 -3.335 1.00 0.00 C ATOM 932 C ASP A 63 -19.688 -30.932 -2.361 1.00 0.00 C ATOM 933 O ASP A 63 -19.247 -32.032 -2.033 1.00 0.00 O ATOM 934 CB ASP A 63 -20.380 -30.218 -4.657 1.00 0.00 C ATOM 935 CG ASP A 63 -19.838 -31.268 -5.607 1.00 0.00 C ATOM 936 OD1 ASP A 63 -20.628 -32.124 -6.059 1.00 0.00 O ATOM 937 OD2 ASP A 63 -18.626 -31.231 -5.902 1.00 0.00 O ATOM 0 H ASP A 63 -22.398 -29.399 -3.438 1.00 0.00 H new ATOM 0 HA ASP A 63 -21.252 -31.817 -3.521 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -21.207 -29.693 -5.134 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -19.605 -29.478 -4.458 1.00 0.00 H new ATOM 942 N GLU A 64 -19.192 -29.787 -1.905 1.00 0.00 N ATOM 943 CA GLU A 64 -18.072 -29.758 -0.972 1.00 0.00 C ATOM 944 C GLU A 64 -18.266 -30.783 0.141 1.00 0.00 C ATOM 945 O GLU A 64 -17.366 -31.572 0.440 1.00 0.00 O ATOM 946 CB GLU A 64 -17.915 -28.359 -0.371 1.00 0.00 C ATOM 947 CG GLU A 64 -17.454 -27.315 -1.373 1.00 0.00 C ATOM 948 CD GLU A 64 -16.173 -27.711 -2.081 1.00 0.00 C ATOM 949 OE1 GLU A 64 -15.085 -27.434 -1.535 1.00 0.00 O ATOM 950 OE2 GLU A 64 -16.260 -28.296 -3.180 1.00 0.00 O ATOM 0 H GLU A 64 -19.548 -28.867 -2.166 1.00 0.00 H new ATOM 0 HA GLU A 64 -17.166 -30.012 -1.523 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -18.869 -28.046 0.054 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -17.199 -28.404 0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -18.239 -27.155 -2.112 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -17.302 -26.366 -0.859 1.00 0.00 H new ATOM 957 N LEU A 65 -19.445 -30.767 0.753 1.00 0.00 N ATOM 958 CA LEU A 65 -19.758 -31.695 1.835 1.00 0.00 C ATOM 959 C LEU A 65 -19.768 -33.134 1.332 1.00 0.00 C ATOM 960 O LEU A 65 -19.053 -33.990 1.853 1.00 0.00 O ATOM 961 CB LEU A 65 -21.114 -31.350 2.453 1.00 0.00 C ATOM 962 CG LEU A 65 -21.786 -32.459 3.262 1.00 0.00 C ATOM 963 CD1 LEU A 65 -20.910 -32.868 4.437 1.00 0.00 C ATOM 964 CD2 LEU A 65 -23.157 -32.012 3.747 1.00 0.00 C ATOM 0 H LEU A 65 -20.200 -30.122 0.519 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.984 -31.601 2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.985 -30.483 3.101 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -21.790 -31.052 1.652 1.00 0.00 H new ATOM 0 HG LEU A 65 -21.918 -33.325 2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -21.404 -33.658 5.002 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -19.951 -33.232 4.067 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.746 -32.007 5.085 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -23.620 -32.815 4.321 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -23.050 -31.130 4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -23.785 -31.770 2.890 1.00 0.00 H new ATOM 976 N SER A 66 -20.581 -33.395 0.313 1.00 0.00 N ATOM 977 CA SER A 66 -20.686 -34.731 -0.260 1.00 0.00 C ATOM 978 C SER A 66 -19.304 -35.351 -0.448 1.00 0.00 C ATOM 979 O SER A 66 -19.098 -36.532 -0.166 1.00 0.00 O ATOM 980 CB SER A 66 -21.419 -34.678 -1.601 1.00 0.00 C ATOM 981 OG SER A 66 -21.882 -35.963 -1.980 1.00 0.00 O ATOM 0 H SER A 66 -21.177 -32.698 -0.133 1.00 0.00 H new ATOM 0 HA SER A 66 -21.254 -35.353 0.432 1.00 0.00 H new ATOM 0 HB2 SER A 66 -22.262 -33.990 -1.531 1.00 0.00 H new ATOM 0 HB3 SER A 66 -20.751 -34.287 -2.369 1.00 0.00 H new ATOM 0 HG SER A 66 -22.348 -35.902 -2.840 1.00 0.00 H new ATOM 987 N ARG A 67 -18.360 -34.545 -0.925 1.00 0.00 N ATOM 988 CA ARG A 67 -16.999 -35.014 -1.151 1.00 0.00 C ATOM 989 C ARG A 67 -16.263 -35.207 0.172 1.00 0.00 C ATOM 990 O ARG A 67 -15.702 -36.273 0.432 1.00 0.00 O ATOM 991 CB ARG A 67 -16.235 -34.022 -2.031 1.00 0.00 C ATOM 992 CG ARG A 67 -14.983 -34.608 -2.664 1.00 0.00 C ATOM 993 CD ARG A 67 -14.419 -33.688 -3.734 1.00 0.00 C ATOM 994 NE ARG A 67 -15.137 -33.814 -5.000 1.00 0.00 N ATOM 995 CZ ARG A 67 -14.885 -34.762 -5.897 1.00 0.00 C ATOM 996 NH1 ARG A 67 -13.938 -35.662 -5.667 1.00 0.00 N ATOM 997 NH2 ARG A 67 -15.582 -34.811 -7.024 1.00 0.00 N ATOM 0 H ARG A 67 -18.513 -33.565 -1.162 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.053 -35.976 -1.661 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -16.897 -33.664 -2.819 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -15.957 -33.156 -1.430 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -14.230 -34.778 -1.894 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -15.215 -35.579 -3.102 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -14.472 -32.656 -3.389 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -13.365 -33.918 -3.891 1.00 0.00 H new ATOM 0 HE ARG A 67 -15.872 -33.138 -5.207 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -13.401 -35.628 -4.800 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -13.747 -36.389 -6.357 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -16.312 -34.121 -7.203 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -15.388 -35.539 -7.712 1.00 0.00 H new ATOM 1011 N HIS A 68 -16.269 -34.171 1.004 1.00 0.00 N ATOM 1012 CA HIS A 68 -15.602 -34.227 2.300 1.00 0.00 C ATOM 1013 C HIS A 68 -15.965 -35.510 3.042 1.00 0.00 C ATOM 1014 O HIS A 68 -15.118 -36.122 3.693 1.00 0.00 O ATOM 1015 CB HIS A 68 -15.981 -33.010 3.145 1.00 0.00 C ATOM 1016 CG HIS A 68 -15.777 -33.215 4.614 1.00 0.00 C ATOM 1017 ND1 HIS A 68 -14.622 -32.852 5.272 1.00 0.00 N ATOM 1018 CD2 HIS A 68 -16.592 -33.747 5.555 1.00 0.00 C ATOM 1019 CE1 HIS A 68 -14.733 -33.154 6.553 1.00 0.00 C ATOM 1020 NE2 HIS A 68 -15.920 -33.698 6.751 1.00 0.00 N ATOM 0 H HIS A 68 -16.728 -33.282 0.804 1.00 0.00 H new ATOM 0 HA HIS A 68 -14.526 -34.219 2.128 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -15.390 -32.154 2.820 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -17.027 -32.763 2.963 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -13.808 -32.418 4.837 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -17.586 -34.137 5.395 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -13.981 -32.985 7.310 1.00 0.00 H new ATOM 1028 N ARG A 69 -17.228 -35.909 2.940 1.00 0.00 N ATOM 1029 CA ARG A 69 -17.703 -37.118 3.603 1.00 0.00 C ATOM 1030 C ARG A 69 -16.659 -38.229 3.521 1.00 0.00 C ATOM 1031 O ARG A 69 -16.608 -39.110 4.380 1.00 0.00 O ATOM 1032 CB ARG A 69 -19.014 -37.589 2.974 1.00 0.00 C ATOM 1033 CG ARG A 69 -20.249 -36.953 3.591 1.00 0.00 C ATOM 1034 CD ARG A 69 -20.684 -37.689 4.849 1.00 0.00 C ATOM 1035 NE ARG A 69 -22.039 -37.324 5.256 1.00 0.00 N ATOM 1036 CZ ARG A 69 -22.858 -38.145 5.903 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -22.462 -39.371 6.217 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -24.077 -37.740 6.240 1.00 0.00 N ATOM 0 H ARG A 69 -17.941 -35.413 2.405 1.00 0.00 H new ATOM 0 HA ARG A 69 -17.876 -36.882 4.653 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -18.996 -37.366 1.907 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -19.086 -38.672 3.073 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -20.041 -35.910 3.831 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -21.063 -36.957 2.866 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -20.635 -38.764 4.675 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -19.990 -37.465 5.659 1.00 0.00 H new ATOM 0 HE ARG A 69 -22.374 -36.387 5.031 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -21.526 -39.686 5.962 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -23.093 -39.999 6.714 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -24.385 -36.797 6.002 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -24.705 -38.372 6.737 1.00 0.00 H new ATOM 1052 N ARG A 70 -15.831 -38.180 2.483 1.00 0.00 N ATOM 1053 CA ARG A 70 -14.791 -39.183 2.288 1.00 0.00 C ATOM 1054 C ARG A 70 -13.921 -39.313 3.535 1.00 0.00 C ATOM 1055 O ARG A 70 -13.631 -40.419 3.991 1.00 0.00 O ATOM 1056 CB ARG A 70 -13.921 -38.819 1.083 1.00 0.00 C ATOM 1057 CG ARG A 70 -13.127 -37.537 1.270 1.00 0.00 C ATOM 1058 CD ARG A 70 -12.324 -37.193 0.026 1.00 0.00 C ATOM 1059 NE ARG A 70 -11.213 -36.292 0.322 1.00 0.00 N ATOM 1060 CZ ARG A 70 -10.162 -36.132 -0.475 1.00 0.00 C ATOM 1061 NH1 ARG A 70 -10.080 -36.811 -1.611 1.00 0.00 N ATOM 1062 NH2 ARG A 70 -9.192 -35.294 -0.135 1.00 0.00 N ATOM 0 H ARG A 70 -15.860 -37.457 1.764 1.00 0.00 H new ATOM 0 HA ARG A 70 -15.276 -40.141 2.102 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -13.230 -39.638 0.884 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -14.557 -38.717 0.204 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -13.807 -36.718 1.504 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.454 -37.645 2.120 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -11.938 -38.109 -0.421 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.979 -36.730 -0.712 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.246 -35.756 1.189 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -10.824 -37.457 -1.874 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -9.273 -36.687 -2.222 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.252 -34.772 0.739 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.386 -35.172 -0.747 1.00 0.00 H new ATOM 1076 N THR A 71 -13.506 -38.175 4.083 1.00 0.00 N ATOM 1077 CA THR A 71 -12.668 -38.161 5.275 1.00 0.00 C ATOM 1078 C THR A 71 -13.194 -39.130 6.327 1.00 0.00 C ATOM 1079 O THR A 71 -12.448 -39.582 7.198 1.00 0.00 O ATOM 1080 CB THR A 71 -12.585 -36.751 5.888 1.00 0.00 C ATOM 1081 OG1 THR A 71 -11.743 -36.768 7.045 1.00 0.00 O ATOM 1082 CG2 THR A 71 -13.968 -36.244 6.268 1.00 0.00 C ATOM 0 H THR A 71 -13.737 -37.250 3.720 1.00 0.00 H new ATOM 0 HA THR A 71 -11.671 -38.472 4.964 1.00 0.00 H new ATOM 0 HB THR A 71 -12.161 -36.079 5.142 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.695 -35.867 7.428 1.00 0.00 H new ATOM 0 HG21 THR A 71 -13.884 -35.246 6.699 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.598 -36.204 5.379 1.00 0.00 H new ATOM 0 HG23 THR A 71 -14.415 -36.918 6.999 1.00 0.00 H new ATOM 1090 N HIS A 72 -14.482 -39.446 6.243 1.00 0.00 N ATOM 1091 CA HIS A 72 -15.108 -40.363 7.188 1.00 0.00 C ATOM 1092 C HIS A 72 -15.525 -41.657 6.496 1.00 0.00 C ATOM 1093 O HIS A 72 -16.249 -42.472 7.066 1.00 0.00 O ATOM 1094 CB HIS A 72 -16.324 -39.706 7.841 1.00 0.00 C ATOM 1095 CG HIS A 72 -16.039 -38.350 8.409 1.00 0.00 C ATOM 1096 ND1 HIS A 72 -15.073 -38.123 9.367 1.00 0.00 N ATOM 1097 CD2 HIS A 72 -16.599 -37.145 8.149 1.00 0.00 C ATOM 1098 CE1 HIS A 72 -15.052 -36.839 9.672 1.00 0.00 C ATOM 1099 NE2 HIS A 72 -15.968 -36.223 8.947 1.00 0.00 N ATOM 0 H HIS A 72 -15.113 -39.080 5.530 1.00 0.00 H new ATOM 0 HA HIS A 72 -14.377 -40.604 7.960 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -17.121 -39.621 7.103 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -16.693 -40.354 8.636 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -14.469 -38.836 9.776 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -17.394 -36.946 7.445 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -14.397 -36.371 10.392 1.00 0.00 H new