USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=20 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 118:sc= -1.26 USER MOD Set 1.2: A 55 CYS SG : rot 169:sc= 0.00805 USER MOD Set 1.3: A 68 HIS : no HE2:sc= -0.803 K(o=-2.5,f=-3) USER MOD Set 1.4: A 72 HIS : no HE2:sc= -0.4 X(o=-2.5,f=-2.9) USER MOD Set 2.1: A 20 CYS SG : rot -163:sc= 0.0248 USER MOD Set 2.2: A 25 CYS SG : rot 99:sc= -2.35 USER MOD Set 2.3: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.4: A 29 TYR OH : rot 23:sc= 0.253 USER MOD Set 2.5: A 38 HIS : no HD1:sc= -0.108 K(o=-1.1,f=-2.2) USER MOD Set 2.6: A 41 THR OG1 : rot -50:sc= 1.11 USER MOD Set 2.7: A 42 HIS : no HE2:sc= 0.00123 K(o=-1.1,f=-2.6) USER MOD Set 3.1: A 32 SER OG : rot 180:sc= 0 USER MOD Set 3.2: A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -9.13! C(o=-9.1!,f=-9.8!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS : no HD1:sc= -0.0228 X(o=-0.023,f=-0.45) USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 HIS : no HD1:sc= -2.91! C(o=-2.9!,f=-2.5!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 66:sc= 0.242 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.0149 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= -0.172 USER MOD Single : A 66 SER OG : rot -77:sc= 0.418 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N ARG A 16 -3.826 1.128 8.023 1.00 0.00 N ATOM 194 CA ARG A 16 -4.738 0.146 8.598 1.00 0.00 C ATOM 195 C ARG A 16 -4.636 0.135 10.120 1.00 0.00 C ATOM 196 O ARG A 16 -3.627 -0.293 10.681 1.00 0.00 O ATOM 197 CB ARG A 16 -4.436 -1.248 8.044 1.00 0.00 C ATOM 198 CG ARG A 16 -2.989 -1.675 8.228 1.00 0.00 C ATOM 199 CD ARG A 16 -2.664 -2.911 7.404 1.00 0.00 C ATOM 200 NE ARG A 16 -2.260 -2.570 6.042 1.00 0.00 N ATOM 201 CZ ARG A 16 -2.092 -3.469 5.079 1.00 0.00 C ATOM 202 NH1 ARG A 16 -2.290 -4.757 5.328 1.00 0.00 N ATOM 203 NH2 ARG A 16 -1.724 -3.081 3.865 1.00 0.00 N ATOM 0 HA ARG A 16 -5.755 0.426 8.322 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -5.085 -1.973 8.534 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.680 -1.269 6.982 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.328 -0.859 7.938 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.800 -1.879 9.282 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -1.865 -3.471 7.890 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.536 -3.564 7.371 1.00 0.00 H new ATOM 0 HE ARG A 16 -2.098 -1.588 5.819 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.572 -5.059 6.261 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.160 -5.446 4.587 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.570 -2.092 3.671 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -1.595 -3.772 3.126 1.00 0.00 H new ATOM 217 N SER A 17 -5.687 0.607 10.781 1.00 0.00 N ATOM 218 CA SER A 17 -5.714 0.656 12.239 1.00 0.00 C ATOM 219 C SER A 17 -6.467 -0.542 12.808 1.00 0.00 C ATOM 220 O SER A 17 -5.878 -1.417 13.443 1.00 0.00 O ATOM 221 CB SER A 17 -6.365 1.956 12.715 1.00 0.00 C ATOM 222 OG SER A 17 -5.393 2.963 12.932 1.00 0.00 O ATOM 0 H SER A 17 -6.531 0.961 10.331 1.00 0.00 H new ATOM 0 HA SER A 17 -4.686 0.621 12.599 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.088 2.297 11.974 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.917 1.774 13.637 1.00 0.00 H new ATOM 0 HG SER A 17 -5.834 3.784 13.234 1.00 0.00 H new ATOM 228 N HIS A 18 -7.776 -0.575 12.576 1.00 0.00 N ATOM 229 CA HIS A 18 -8.613 -1.665 13.065 1.00 0.00 C ATOM 230 C HIS A 18 -8.036 -3.017 12.655 1.00 0.00 C ATOM 231 O HIS A 18 -8.062 -3.382 11.479 1.00 0.00 O ATOM 232 CB HIS A 18 -10.038 -1.522 12.531 1.00 0.00 C ATOM 233 CG HIS A 18 -10.859 -0.515 13.276 1.00 0.00 C ATOM 234 ND1 HIS A 18 -12.164 -0.742 13.658 1.00 0.00 N ATOM 235 CD2 HIS A 18 -10.551 0.729 13.712 1.00 0.00 C ATOM 236 CE1 HIS A 18 -12.625 0.319 14.295 1.00 0.00 C ATOM 237 NE2 HIS A 18 -11.666 1.226 14.342 1.00 0.00 N ATOM 0 H HIS A 18 -8.280 0.141 12.052 1.00 0.00 H new ATOM 0 HA HIS A 18 -8.635 -1.613 14.154 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -9.996 -1.238 11.479 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.534 -2.491 12.580 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.605 1.236 13.588 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -13.617 0.427 14.707 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -11.741 2.146 14.776 1.00 0.00 H new ATOM 245 N ILE A 19 -7.517 -3.755 13.631 1.00 0.00 N ATOM 246 CA ILE A 19 -6.935 -5.066 13.371 1.00 0.00 C ATOM 247 C ILE A 19 -7.953 -6.176 13.610 1.00 0.00 C ATOM 248 O ILE A 19 -8.557 -6.259 14.679 1.00 0.00 O ATOM 249 CB ILE A 19 -5.700 -5.319 14.254 1.00 0.00 C ATOM 250 CG1 ILE A 19 -4.878 -4.035 14.399 1.00 0.00 C ATOM 251 CG2 ILE A 19 -4.848 -6.434 13.667 1.00 0.00 C ATOM 252 CD1 ILE A 19 -5.261 -3.207 15.605 1.00 0.00 C ATOM 0 H ILE A 19 -7.488 -3.467 14.609 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.631 -5.074 12.324 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.037 -5.628 15.244 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.822 -4.295 14.467 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.000 -3.431 13.500 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.979 -6.601 14.303 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.436 -7.350 13.609 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.518 -6.152 12.667 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.639 -2.313 15.645 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.309 -2.917 15.529 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.112 -3.794 16.511 1.00 0.00 H new ATOM 264 N CYS A 20 -8.137 -7.028 12.607 1.00 0.00 N ATOM 265 CA CYS A 20 -9.081 -8.135 12.707 1.00 0.00 C ATOM 266 C CYS A 20 -8.822 -8.958 13.967 1.00 0.00 C ATOM 267 O CYS A 20 -7.850 -9.710 14.040 1.00 0.00 O ATOM 268 CB CYS A 20 -8.981 -9.030 11.471 1.00 0.00 C ATOM 269 SG CYS A 20 -10.190 -10.393 11.441 1.00 0.00 S ATOM 0 H CYS A 20 -7.645 -6.973 11.715 1.00 0.00 H new ATOM 0 HA CYS A 20 -10.087 -7.719 12.766 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -9.118 -8.417 10.580 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.976 -9.449 11.419 1.00 0.00 H new ATOM 0 HG CYS A 20 -9.819 -11.283 10.570 1.00 0.00 H new ATOM 274 N SER A 21 -9.699 -8.809 14.954 1.00 0.00 N ATOM 275 CA SER A 21 -9.563 -9.535 16.212 1.00 0.00 C ATOM 276 C SER A 21 -9.160 -10.985 15.961 1.00 0.00 C ATOM 277 O SER A 21 -8.317 -11.537 16.669 1.00 0.00 O ATOM 278 CB SER A 21 -10.876 -9.487 16.996 1.00 0.00 C ATOM 279 OG SER A 21 -10.869 -10.422 18.061 1.00 0.00 O ATOM 0 H SER A 21 -10.511 -8.193 14.908 1.00 0.00 H new ATOM 0 HA SER A 21 -8.780 -9.055 16.798 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.031 -8.483 17.391 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.710 -9.699 16.327 1.00 0.00 H new ATOM 0 HG SER A 21 -11.718 -10.370 18.547 1.00 0.00 H new ATOM 285 N HIS A 22 -9.768 -11.596 14.949 1.00 0.00 N ATOM 286 CA HIS A 22 -9.472 -12.981 14.604 1.00 0.00 C ATOM 287 C HIS A 22 -7.975 -13.179 14.386 1.00 0.00 C ATOM 288 O HIS A 22 -7.353 -12.522 13.551 1.00 0.00 O ATOM 289 CB HIS A 22 -10.242 -13.391 13.348 1.00 0.00 C ATOM 290 CG HIS A 22 -10.541 -14.857 13.280 1.00 0.00 C ATOM 291 ND1 HIS A 22 -11.219 -15.533 14.273 1.00 0.00 N ATOM 292 CD2 HIS A 22 -10.253 -15.777 12.329 1.00 0.00 C ATOM 293 CE1 HIS A 22 -11.333 -16.805 13.937 1.00 0.00 C ATOM 294 NE2 HIS A 22 -10.755 -16.980 12.761 1.00 0.00 N ATOM 0 H HIS A 22 -10.468 -11.153 14.354 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.786 -13.612 15.435 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.179 -12.835 13.309 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.665 -13.105 12.469 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.727 -15.598 11.403 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.816 -17.572 14.524 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.692 -17.864 12.257 1.00 0.00 H new ATOM 302 N PRO A 23 -7.383 -14.106 15.153 1.00 0.00 N ATOM 303 CA PRO A 23 -5.951 -14.411 15.062 1.00 0.00 C ATOM 304 C PRO A 23 -5.591 -15.119 13.761 1.00 0.00 C ATOM 305 O PRO A 23 -6.453 -15.695 13.097 1.00 0.00 O ATOM 306 CB PRO A 23 -5.710 -15.337 16.258 1.00 0.00 C ATOM 307 CG PRO A 23 -7.034 -15.964 16.525 1.00 0.00 C ATOM 308 CD PRO A 23 -8.063 -14.927 16.169 1.00 0.00 C ATOM 0 HA PRO A 23 -5.340 -13.508 15.073 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.955 -16.089 16.030 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -5.354 -14.780 17.125 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -7.166 -16.866 15.927 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.122 -16.259 17.571 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.972 -15.382 15.775 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -8.353 -14.334 17.037 1.00 0.00 H new ATOM 316 N GLY A 24 -4.313 -15.071 13.400 1.00 0.00 N ATOM 317 CA GLY A 24 -3.862 -15.711 12.178 1.00 0.00 C ATOM 318 C GLY A 24 -4.224 -14.917 10.939 1.00 0.00 C ATOM 319 O GLY A 24 -3.396 -14.728 10.048 1.00 0.00 O ATOM 0 H GLY A 24 -3.581 -14.600 13.932 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.781 -15.842 12.218 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.302 -16.706 12.109 1.00 0.00 H new ATOM 323 N CYS A 25 -5.469 -14.452 10.880 1.00 0.00 N ATOM 324 CA CYS A 25 -5.942 -13.676 9.740 1.00 0.00 C ATOM 325 C CYS A 25 -4.928 -12.602 9.355 1.00 0.00 C ATOM 326 O CYS A 25 -4.615 -12.422 8.179 1.00 0.00 O ATOM 327 CB CYS A 25 -7.290 -13.030 10.061 1.00 0.00 C ATOM 328 SG CYS A 25 -7.925 -11.941 8.746 1.00 0.00 S ATOM 0 H CYS A 25 -6.167 -14.600 11.609 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.064 -14.354 8.895 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.021 -13.816 10.252 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.194 -12.453 10.981 1.00 0.00 H new ATOM 0 HG CYS A 25 -8.801 -12.586 8.034 1.00 0.00 H new ATOM 333 N GLY A 26 -4.420 -11.890 10.357 1.00 0.00 N ATOM 334 CA GLY A 26 -3.447 -10.843 10.103 1.00 0.00 C ATOM 335 C GLY A 26 -3.957 -9.804 9.124 1.00 0.00 C ATOM 336 O GLY A 26 -3.281 -9.475 8.148 1.00 0.00 O ATOM 0 H GLY A 26 -4.665 -12.019 11.339 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.188 -10.356 11.043 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.532 -11.288 9.712 1.00 0.00 H new ATOM 340 N LYS A 27 -5.152 -9.285 9.383 1.00 0.00 N ATOM 341 CA LYS A 27 -5.753 -8.277 8.517 1.00 0.00 C ATOM 342 C LYS A 27 -6.074 -7.009 9.301 1.00 0.00 C ATOM 343 O LYS A 27 -6.409 -7.066 10.485 1.00 0.00 O ATOM 344 CB LYS A 27 -7.026 -8.825 7.869 1.00 0.00 C ATOM 345 CG LYS A 27 -6.762 -9.754 6.697 1.00 0.00 C ATOM 346 CD LYS A 27 -6.258 -8.991 5.484 1.00 0.00 C ATOM 347 CE LYS A 27 -7.402 -8.340 4.721 1.00 0.00 C ATOM 348 NZ LYS A 27 -6.921 -7.617 3.511 1.00 0.00 N ATOM 0 H LYS A 27 -5.724 -9.546 10.186 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.034 -8.029 7.736 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.605 -9.360 8.622 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.639 -7.990 7.529 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.028 -10.506 6.986 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.678 -10.285 6.439 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.550 -8.226 5.802 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.719 -9.670 4.824 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.122 -9.103 4.426 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.926 -7.644 5.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.730 -7.187 3.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.253 -6.872 3.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.444 -8.286 2.874 1.00 0.00 H new ATOM 362 N THR A 28 -5.973 -5.864 8.634 1.00 0.00 N ATOM 363 CA THR A 28 -6.253 -4.582 9.267 1.00 0.00 C ATOM 364 C THR A 28 -6.766 -3.567 8.252 1.00 0.00 C ATOM 365 O THR A 28 -6.453 -3.651 7.064 1.00 0.00 O ATOM 366 CB THR A 28 -5.001 -4.011 9.959 1.00 0.00 C ATOM 367 OG1 THR A 28 -4.375 -5.027 10.752 1.00 0.00 O ATOM 368 CG2 THR A 28 -5.363 -2.824 10.839 1.00 0.00 C ATOM 0 H THR A 28 -5.699 -5.799 7.654 1.00 0.00 H new ATOM 0 HA THR A 28 -7.023 -4.762 10.017 1.00 0.00 H new ATOM 0 HB THR A 28 -4.308 -3.673 9.189 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.579 -4.658 11.188 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.463 -2.438 11.317 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.813 -2.042 10.228 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.072 -3.141 11.603 1.00 0.00 H new ATOM 376 N TYR A 29 -7.552 -2.607 8.726 1.00 0.00 N ATOM 377 CA TYR A 29 -8.109 -1.576 7.859 1.00 0.00 C ATOM 378 C TYR A 29 -8.095 -0.216 8.550 1.00 0.00 C ATOM 379 O TYR A 29 -8.202 -0.127 9.773 1.00 0.00 O ATOM 380 CB TYR A 29 -9.538 -1.939 7.452 1.00 0.00 C ATOM 381 CG TYR A 29 -9.630 -3.201 6.624 1.00 0.00 C ATOM 382 CD1 TYR A 29 -9.691 -4.450 7.230 1.00 0.00 C ATOM 383 CD2 TYR A 29 -9.654 -3.146 5.236 1.00 0.00 C ATOM 384 CE1 TYR A 29 -9.775 -5.606 6.478 1.00 0.00 C ATOM 385 CE2 TYR A 29 -9.738 -4.297 4.476 1.00 0.00 C ATOM 386 CZ TYR A 29 -9.799 -5.524 5.102 1.00 0.00 C ATOM 387 OH TYR A 29 -9.881 -6.672 4.349 1.00 0.00 O ATOM 0 H TYR A 29 -7.818 -2.521 9.707 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.488 -1.515 6.965 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.143 -2.059 8.351 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.967 -1.112 6.887 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.672 -4.518 8.308 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.606 -2.187 4.742 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.822 -6.569 6.965 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.756 -4.236 3.398 1.00 0.00 H new ATOM 0 HH TYR A 29 -10.279 -7.388 4.887 1.00 0.00 H new ATOM 397 N PHE A 30 -7.964 0.842 7.757 1.00 0.00 N ATOM 398 CA PHE A 30 -7.935 2.198 8.291 1.00 0.00 C ATOM 399 C PHE A 30 -9.336 2.655 8.690 1.00 0.00 C ATOM 400 O PHE A 30 -9.516 3.337 9.699 1.00 0.00 O ATOM 401 CB PHE A 30 -7.346 3.164 7.260 1.00 0.00 C ATOM 402 CG PHE A 30 -8.374 3.764 6.346 1.00 0.00 C ATOM 403 CD1 PHE A 30 -9.231 4.755 6.800 1.00 0.00 C ATOM 404 CD2 PHE A 30 -8.484 3.341 5.031 1.00 0.00 C ATOM 405 CE1 PHE A 30 -10.179 5.309 5.961 1.00 0.00 C ATOM 406 CE2 PHE A 30 -9.429 3.893 4.186 1.00 0.00 C ATOM 407 CZ PHE A 30 -10.277 4.879 4.652 1.00 0.00 C ATOM 0 H PHE A 30 -7.876 0.786 6.742 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.304 2.198 9.180 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -6.823 3.966 7.782 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.603 2.636 6.662 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.157 5.098 7.821 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.823 2.571 4.662 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.843 6.078 6.328 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.504 3.554 3.163 1.00 0.00 H new ATOM 0 HZ PHE A 30 -11.015 5.313 3.994 1.00 0.00 H new ATOM 417 N LYS A 31 -10.325 2.277 7.888 1.00 0.00 N ATOM 418 CA LYS A 31 -11.710 2.645 8.155 1.00 0.00 C ATOM 419 C LYS A 31 -12.285 1.812 9.296 1.00 0.00 C ATOM 420 O LYS A 31 -12.586 0.631 9.125 1.00 0.00 O ATOM 421 CB LYS A 31 -12.560 2.460 6.896 1.00 0.00 C ATOM 422 CG LYS A 31 -13.867 3.235 6.924 1.00 0.00 C ATOM 423 CD LYS A 31 -14.375 3.523 5.521 1.00 0.00 C ATOM 424 CE LYS A 31 -13.780 4.808 4.967 1.00 0.00 C ATOM 425 NZ LYS A 31 -14.439 5.221 3.697 1.00 0.00 N ATOM 0 H LYS A 31 -10.193 1.715 7.047 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.730 3.694 8.449 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.980 2.773 6.027 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.779 1.400 6.768 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.617 2.666 7.474 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.723 4.173 7.460 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.123 2.691 4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -15.462 3.600 5.535 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.883 5.604 5.705 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.713 4.669 4.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -14.006 6.101 3.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.319 4.473 2.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.453 5.378 3.867 1.00 0.00 H new ATOM 439 N SER A 32 -12.436 2.436 10.460 1.00 0.00 N ATOM 440 CA SER A 32 -12.973 1.752 11.631 1.00 0.00 C ATOM 441 C SER A 32 -14.074 0.774 11.231 1.00 0.00 C ATOM 442 O SER A 32 -14.294 -0.236 11.899 1.00 0.00 O ATOM 443 CB SER A 32 -13.517 2.767 12.637 1.00 0.00 C ATOM 444 OG SER A 32 -14.710 3.367 12.161 1.00 0.00 O ATOM 0 H SER A 32 -12.194 3.414 10.617 1.00 0.00 H new ATOM 0 HA SER A 32 -12.163 1.190 12.096 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.710 2.273 13.589 1.00 0.00 H new ATOM 0 HB3 SER A 32 -12.768 3.537 12.823 1.00 0.00 H new ATOM 0 HG SER A 32 -15.039 4.011 12.823 1.00 0.00 H new ATOM 450 N SER A 33 -14.762 1.082 10.136 1.00 0.00 N ATOM 451 CA SER A 33 -15.843 0.234 9.648 1.00 0.00 C ATOM 452 C SER A 33 -15.295 -0.909 8.800 1.00 0.00 C ATOM 453 O SER A 33 -15.699 -2.062 8.955 1.00 0.00 O ATOM 454 CB SER A 33 -16.837 1.060 8.830 1.00 0.00 C ATOM 455 OG SER A 33 -17.237 2.223 9.535 1.00 0.00 O ATOM 0 H SER A 33 -14.590 1.913 9.570 1.00 0.00 H new ATOM 0 HA SER A 33 -16.357 -0.190 10.510 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.383 1.345 7.881 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.712 0.454 8.596 1.00 0.00 H new ATOM 0 HG SER A 33 -17.871 2.734 8.990 1.00 0.00 H new ATOM 461 N HIS A 34 -14.372 -0.581 7.901 1.00 0.00 N ATOM 462 CA HIS A 34 -13.767 -1.581 7.027 1.00 0.00 C ATOM 463 C HIS A 34 -13.608 -2.913 7.753 1.00 0.00 C ATOM 464 O HIS A 34 -13.684 -3.979 7.141 1.00 0.00 O ATOM 465 CB HIS A 34 -12.407 -1.093 6.525 1.00 0.00 C ATOM 466 CG HIS A 34 -12.477 -0.365 5.218 1.00 0.00 C ATOM 467 ND1 HIS A 34 -11.371 -0.126 4.430 1.00 0.00 N ATOM 468 CD2 HIS A 34 -13.529 0.175 4.561 1.00 0.00 C ATOM 469 CE1 HIS A 34 -11.740 0.532 3.345 1.00 0.00 C ATOM 470 NE2 HIS A 34 -13.044 0.728 3.400 1.00 0.00 N ATOM 0 H HIS A 34 -14.027 0.368 7.759 1.00 0.00 H new ATOM 0 HA HIS A 34 -14.428 -1.731 6.174 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -11.967 -0.435 7.275 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -11.739 -1.948 6.420 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -14.558 0.172 4.888 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.086 0.855 2.549 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -13.601 1.211 2.695 1.00 0.00 H new ATOM 478 N LEU A 35 -13.384 -2.844 9.060 1.00 0.00 N ATOM 479 CA LEU A 35 -13.213 -4.046 9.872 1.00 0.00 C ATOM 480 C LEU A 35 -14.509 -4.849 9.936 1.00 0.00 C ATOM 481 O LEU A 35 -14.551 -6.011 9.534 1.00 0.00 O ATOM 482 CB LEU A 35 -12.761 -3.671 11.283 1.00 0.00 C ATOM 483 CG LEU A 35 -12.645 -4.825 12.280 1.00 0.00 C ATOM 484 CD1 LEU A 35 -11.435 -5.687 11.961 1.00 0.00 C ATOM 485 CD2 LEU A 35 -12.565 -4.295 13.704 1.00 0.00 C ATOM 0 H LEU A 35 -13.316 -1.970 9.581 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.447 -4.665 9.405 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.791 -3.179 11.213 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.462 -2.939 11.685 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.538 -5.444 12.194 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -11.369 -6.503 12.681 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.535 -6.097 10.956 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.531 -5.080 12.017 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.483 -5.131 14.399 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.690 -3.652 13.804 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.464 -3.722 13.930 1.00 0.00 H new ATOM 497 N LYS A 36 -15.563 -4.219 10.442 1.00 0.00 N ATOM 498 CA LYS A 36 -16.862 -4.872 10.557 1.00 0.00 C ATOM 499 C LYS A 36 -17.296 -5.459 9.218 1.00 0.00 C ATOM 500 O LYS A 36 -17.938 -6.508 9.167 1.00 0.00 O ATOM 501 CB LYS A 36 -17.914 -3.878 11.055 1.00 0.00 C ATOM 502 CG LYS A 36 -18.504 -3.016 9.955 1.00 0.00 C ATOM 503 CD LYS A 36 -19.752 -2.287 10.426 1.00 0.00 C ATOM 504 CE LYS A 36 -19.403 -1.072 11.270 1.00 0.00 C ATOM 505 NZ LYS A 36 -20.618 -0.327 11.699 1.00 0.00 N ATOM 0 H LYS A 36 -15.544 -3.257 10.779 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.769 -5.685 11.277 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -18.718 -4.428 11.545 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -17.464 -3.232 11.809 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -17.762 -2.291 9.622 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -18.748 -3.639 9.095 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -20.340 -1.975 9.563 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -20.375 -2.968 11.006 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -18.843 -1.390 12.149 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -18.753 -0.409 10.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -20.337 0.494 12.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -21.140 -0.002 10.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -21.227 -0.952 12.265 1.00 0.00 H new ATOM 519 N ALA A 37 -16.939 -4.776 8.134 1.00 0.00 N ATOM 520 CA ALA A 37 -17.289 -5.232 6.795 1.00 0.00 C ATOM 521 C ALA A 37 -16.447 -6.436 6.387 1.00 0.00 C ATOM 522 O ALA A 37 -16.853 -7.233 5.540 1.00 0.00 O ATOM 523 CB ALA A 37 -17.117 -4.102 5.791 1.00 0.00 C ATOM 0 H ALA A 37 -16.408 -3.905 8.158 1.00 0.00 H new ATOM 0 HA ALA A 37 -18.335 -5.539 6.805 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -17.382 -4.457 4.795 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.766 -3.270 6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -16.079 -3.768 5.793 1.00 0.00 H new ATOM 529 N HIS A 38 -15.271 -6.563 6.994 1.00 0.00 N ATOM 530 CA HIS A 38 -14.371 -7.670 6.694 1.00 0.00 C ATOM 531 C HIS A 38 -14.662 -8.866 7.595 1.00 0.00 C ATOM 532 O HIS A 38 -14.525 -10.018 7.181 1.00 0.00 O ATOM 533 CB HIS A 38 -12.916 -7.233 6.861 1.00 0.00 C ATOM 534 CG HIS A 38 -11.970 -8.372 7.083 1.00 0.00 C ATOM 535 ND1 HIS A 38 -11.205 -8.923 6.077 1.00 0.00 N ATOM 536 CD2 HIS A 38 -11.664 -9.063 8.206 1.00 0.00 C ATOM 537 CE1 HIS A 38 -10.473 -9.905 6.570 1.00 0.00 C ATOM 538 NE2 HIS A 38 -10.732 -10.011 7.861 1.00 0.00 N ATOM 0 H HIS A 38 -14.919 -5.913 7.697 1.00 0.00 H new ATOM 0 HA HIS A 38 -14.535 -7.969 5.659 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -12.606 -6.682 5.973 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.847 -6.544 7.703 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -12.076 -8.899 9.191 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -9.780 -10.518 6.012 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -10.309 -10.686 8.498 1.00 0.00 H new ATOM 546 N THR A 39 -15.063 -8.586 8.831 1.00 0.00 N ATOM 547 CA THR A 39 -15.371 -9.638 9.792 1.00 0.00 C ATOM 548 C THR A 39 -16.281 -10.696 9.176 1.00 0.00 C ATOM 549 O THR A 39 -16.179 -11.879 9.500 1.00 0.00 O ATOM 550 CB THR A 39 -16.048 -9.067 11.053 1.00 0.00 C ATOM 551 OG1 THR A 39 -15.192 -8.100 11.672 1.00 0.00 O ATOM 552 CG2 THR A 39 -16.368 -10.176 12.044 1.00 0.00 C ATOM 0 H THR A 39 -15.182 -7.639 9.190 1.00 0.00 H new ATOM 0 HA THR A 39 -14.423 -10.096 10.073 1.00 0.00 H new ATOM 0 HB THR A 39 -16.980 -8.588 10.754 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.086 -7.329 11.077 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.845 -9.749 12.926 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.042 -10.896 11.579 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.446 -10.679 12.338 1.00 0.00 H new ATOM 560 N ARG A 40 -17.168 -10.262 8.288 1.00 0.00 N ATOM 561 CA ARG A 40 -18.096 -11.172 7.628 1.00 0.00 C ATOM 562 C ARG A 40 -17.343 -12.208 6.798 1.00 0.00 C ATOM 563 O ARG A 40 -17.691 -13.390 6.795 1.00 0.00 O ATOM 564 CB ARG A 40 -19.061 -10.391 6.734 1.00 0.00 C ATOM 565 CG ARG A 40 -18.456 -9.973 5.403 1.00 0.00 C ATOM 566 CD ARG A 40 -19.488 -9.305 4.507 1.00 0.00 C ATOM 567 NE ARG A 40 -19.103 -9.353 3.100 1.00 0.00 N ATOM 568 CZ ARG A 40 -19.699 -8.641 2.150 1.00 0.00 C ATOM 569 NH1 ARG A 40 -20.703 -7.831 2.457 1.00 0.00 N ATOM 570 NH2 ARG A 40 -19.292 -8.737 0.891 1.00 0.00 N ATOM 0 H ARG A 40 -17.264 -9.286 8.009 1.00 0.00 H new ATOM 0 HA ARG A 40 -18.665 -11.692 8.398 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -19.944 -11.002 6.546 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -19.397 -9.501 7.266 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -17.627 -9.288 5.578 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -18.046 -10.847 4.898 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -20.452 -9.796 4.636 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -19.616 -8.267 4.813 1.00 0.00 H new ATOM 0 HE ARG A 40 -18.334 -9.967 2.831 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -21.019 -7.754 3.424 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -21.159 -7.285 1.726 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -18.520 -9.359 0.651 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -19.751 -8.189 0.163 1.00 0.00 H new ATOM 584 N THR A 41 -16.310 -11.757 6.092 1.00 0.00 N ATOM 585 CA THR A 41 -15.509 -12.643 5.258 1.00 0.00 C ATOM 586 C THR A 41 -15.340 -14.010 5.912 1.00 0.00 C ATOM 587 O THR A 41 -15.387 -15.041 5.240 1.00 0.00 O ATOM 588 CB THR A 41 -14.118 -12.045 4.977 1.00 0.00 C ATOM 589 OG1 THR A 41 -13.376 -11.939 6.197 1.00 0.00 O ATOM 590 CG2 THR A 41 -14.239 -10.675 4.329 1.00 0.00 C ATOM 0 H THR A 41 -16.009 -10.782 6.082 1.00 0.00 H new ATOM 0 HA THR A 41 -16.044 -12.758 4.315 1.00 0.00 H new ATOM 0 HB THR A 41 -13.593 -12.708 4.290 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.927 -11.499 6.878 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.244 -10.273 4.140 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.779 -10.765 3.386 1.00 0.00 H new ATOM 0 HG23 THR A 41 -14.781 -10.004 4.995 1.00 0.00 H new ATOM 598 N HIS A 42 -15.143 -14.012 7.227 1.00 0.00 N ATOM 599 CA HIS A 42 -14.967 -15.253 7.972 1.00 0.00 C ATOM 600 C HIS A 42 -16.304 -15.961 8.170 1.00 0.00 C ATOM 601 O HIS A 42 -16.412 -17.173 7.979 1.00 0.00 O ATOM 602 CB HIS A 42 -14.320 -14.972 9.328 1.00 0.00 C ATOM 603 CG HIS A 42 -12.982 -14.305 9.227 1.00 0.00 C ATOM 604 ND1 HIS A 42 -11.812 -14.997 9.002 1.00 0.00 N ATOM 605 CD2 HIS A 42 -12.636 -13.000 9.318 1.00 0.00 C ATOM 606 CE1 HIS A 42 -10.801 -14.147 8.963 1.00 0.00 C ATOM 607 NE2 HIS A 42 -11.274 -12.929 9.151 1.00 0.00 N ATOM 0 H HIS A 42 -15.101 -13.168 7.798 1.00 0.00 H new ATOM 0 HA HIS A 42 -14.312 -15.905 7.394 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -14.987 -14.342 9.916 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.209 -15.911 9.870 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -11.738 -16.007 8.884 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -13.305 -12.170 9.490 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -9.764 -14.405 8.804 1.00 0.00 H new ATOM 651 N LYS A 46 -19.486 -16.795 0.494 1.00 0.00 N ATOM 652 CA LYS A 46 -18.315 -16.400 -0.280 1.00 0.00 C ATOM 653 C LYS A 46 -18.716 -15.530 -1.467 1.00 0.00 C ATOM 654 O LYS A 46 -19.343 -15.990 -2.422 1.00 0.00 O ATOM 655 CB LYS A 46 -17.564 -17.639 -0.773 1.00 0.00 C ATOM 656 CG LYS A 46 -16.688 -18.281 0.288 1.00 0.00 C ATOM 657 CD LYS A 46 -17.506 -19.121 1.254 1.00 0.00 C ATOM 658 CE LYS A 46 -16.750 -19.377 2.549 1.00 0.00 C ATOM 659 NZ LYS A 46 -17.670 -19.513 3.711 1.00 0.00 N ATOM 0 HA LYS A 46 -17.660 -15.819 0.369 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -18.286 -18.374 -1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -16.944 -17.362 -1.626 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -15.934 -18.906 -0.191 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -16.156 -17.506 0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -18.445 -18.613 1.474 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -17.760 -20.072 0.786 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -16.155 -20.285 2.449 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -16.054 -18.558 2.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -17.116 -19.687 4.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -18.220 -18.637 3.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -18.318 -20.310 3.549 1.00 0.00 H new ATOM 673 N PRO A 47 -18.345 -14.242 -1.409 1.00 0.00 N ATOM 674 CA PRO A 47 -18.654 -13.281 -2.472 1.00 0.00 C ATOM 675 C PRO A 47 -17.863 -13.553 -3.747 1.00 0.00 C ATOM 676 O PRO A 47 -18.193 -13.039 -4.816 1.00 0.00 O ATOM 677 CB PRO A 47 -18.244 -11.937 -1.865 1.00 0.00 C ATOM 678 CG PRO A 47 -17.208 -12.280 -0.851 1.00 0.00 C ATOM 679 CD PRO A 47 -17.595 -13.626 -0.302 1.00 0.00 C ATOM 0 HA PRO A 47 -19.701 -13.327 -2.772 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -17.847 -11.264 -2.625 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -19.095 -11.433 -1.407 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -16.216 -12.313 -1.302 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -17.173 -11.531 -0.060 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -16.720 -14.217 -0.032 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -18.207 -13.533 0.595 1.00 0.00 H new ATOM 687 N PHE A 48 -16.818 -14.366 -3.628 1.00 0.00 N ATOM 688 CA PHE A 48 -15.981 -14.706 -4.771 1.00 0.00 C ATOM 689 C PHE A 48 -16.172 -16.166 -5.171 1.00 0.00 C ATOM 690 O PHE A 48 -16.137 -17.062 -4.328 1.00 0.00 O ATOM 691 CB PHE A 48 -14.508 -14.444 -4.447 1.00 0.00 C ATOM 692 CG PHE A 48 -14.228 -13.029 -4.032 1.00 0.00 C ATOM 693 CD1 PHE A 48 -14.335 -12.648 -2.704 1.00 0.00 C ATOM 694 CD2 PHE A 48 -13.858 -12.078 -4.969 1.00 0.00 C ATOM 695 CE1 PHE A 48 -14.079 -11.346 -2.319 1.00 0.00 C ATOM 696 CE2 PHE A 48 -13.599 -10.774 -4.590 1.00 0.00 C ATOM 697 CZ PHE A 48 -13.710 -10.408 -3.264 1.00 0.00 C ATOM 0 H PHE A 48 -16.531 -14.801 -2.751 1.00 0.00 H new ATOM 0 HA PHE A 48 -16.281 -14.076 -5.608 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -14.195 -15.117 -3.649 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -13.904 -14.684 -5.322 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -14.622 -13.377 -1.961 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -13.771 -12.359 -6.008 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -14.167 -11.062 -1.281 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -13.310 -10.043 -5.331 1.00 0.00 H new ATOM 0 HZ PHE A 48 -13.509 -9.390 -2.965 1.00 0.00 H new ATOM 707 N SER A 49 -16.377 -16.397 -6.465 1.00 0.00 N ATOM 708 CA SER A 49 -16.580 -17.747 -6.978 1.00 0.00 C ATOM 709 C SER A 49 -15.812 -17.955 -8.278 1.00 0.00 C ATOM 710 O SER A 49 -15.353 -16.997 -8.903 1.00 0.00 O ATOM 711 CB SER A 49 -18.070 -18.011 -7.204 1.00 0.00 C ATOM 712 OG SER A 49 -18.601 -17.132 -8.180 1.00 0.00 O ATOM 0 H SER A 49 -16.407 -15.667 -7.176 1.00 0.00 H new ATOM 0 HA SER A 49 -16.202 -18.451 -6.237 1.00 0.00 H new ATOM 0 HB2 SER A 49 -18.216 -19.043 -7.522 1.00 0.00 H new ATOM 0 HB3 SER A 49 -18.611 -17.887 -6.266 1.00 0.00 H new ATOM 0 HG SER A 49 -19.554 -17.322 -8.308 1.00 0.00 H new ATOM 718 N CYS A 50 -15.674 -19.214 -8.683 1.00 0.00 N ATOM 719 CA CYS A 50 -14.962 -19.550 -9.909 1.00 0.00 C ATOM 720 C CYS A 50 -15.708 -19.027 -11.134 1.00 0.00 C ATOM 721 O CYS A 50 -16.913 -18.779 -11.080 1.00 0.00 O ATOM 722 CB CYS A 50 -14.780 -21.065 -10.018 1.00 0.00 C ATOM 723 SG CYS A 50 -13.852 -21.598 -11.492 1.00 0.00 S ATOM 0 H CYS A 50 -16.047 -20.018 -8.179 1.00 0.00 H new ATOM 0 HA CYS A 50 -13.982 -19.074 -9.872 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -14.264 -21.423 -9.127 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -15.762 -21.538 -10.029 1.00 0.00 H new ATOM 0 HG CYS A 50 -12.765 -22.208 -11.123 1.00 0.00 H new ATOM 728 N SER A 51 -14.984 -18.862 -12.235 1.00 0.00 N ATOM 729 CA SER A 51 -15.575 -18.365 -13.472 1.00 0.00 C ATOM 730 C SER A 51 -15.950 -19.519 -14.397 1.00 0.00 C ATOM 731 O SER A 51 -16.974 -19.475 -15.079 1.00 0.00 O ATOM 732 CB SER A 51 -14.605 -17.421 -14.184 1.00 0.00 C ATOM 733 OG SER A 51 -13.541 -18.140 -14.784 1.00 0.00 O ATOM 0 H SER A 51 -13.986 -19.065 -12.296 1.00 0.00 H new ATOM 0 HA SER A 51 -16.482 -17.817 -13.217 1.00 0.00 H new ATOM 0 HB2 SER A 51 -15.139 -16.853 -14.946 1.00 0.00 H new ATOM 0 HB3 SER A 51 -14.205 -16.700 -13.471 1.00 0.00 H new ATOM 0 HG SER A 51 -12.936 -17.514 -15.234 1.00 0.00 H new ATOM 739 N TRP A 52 -15.114 -20.550 -14.414 1.00 0.00 N ATOM 740 CA TRP A 52 -15.357 -21.718 -15.254 1.00 0.00 C ATOM 741 C TRP A 52 -16.715 -22.335 -14.948 1.00 0.00 C ATOM 742 O TRP A 52 -17.068 -22.543 -13.787 1.00 0.00 O ATOM 743 CB TRP A 52 -14.252 -22.756 -15.052 1.00 0.00 C ATOM 744 CG TRP A 52 -14.001 -23.600 -16.264 1.00 0.00 C ATOM 745 CD1 TRP A 52 -14.451 -24.870 -16.487 1.00 0.00 C ATOM 746 CD2 TRP A 52 -13.238 -23.234 -17.420 1.00 0.00 C ATOM 747 NE1 TRP A 52 -14.013 -25.316 -17.711 1.00 0.00 N ATOM 748 CE2 TRP A 52 -13.268 -24.330 -18.303 1.00 0.00 C ATOM 749 CE3 TRP A 52 -12.534 -22.087 -17.795 1.00 0.00 C ATOM 750 CZ2 TRP A 52 -12.621 -24.311 -19.536 1.00 0.00 C ATOM 751 CZ3 TRP A 52 -11.892 -22.069 -19.018 1.00 0.00 C ATOM 752 CH2 TRP A 52 -11.939 -23.175 -19.877 1.00 0.00 C ATOM 0 H TRP A 52 -14.262 -20.602 -13.856 1.00 0.00 H new ATOM 0 HA TRP A 52 -15.354 -21.394 -16.295 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -13.329 -22.245 -14.777 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -14.520 -23.403 -14.217 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -15.061 -25.440 -15.802 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -14.210 -26.232 -18.113 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -12.492 -21.229 -17.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -12.656 -25.163 -20.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -11.345 -21.187 -19.317 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -11.427 -23.130 -20.827 1.00 0.00 H new ATOM 763 N LYS A 53 -17.478 -22.629 -15.997 1.00 0.00 N ATOM 764 CA LYS A 53 -18.799 -23.225 -15.841 1.00 0.00 C ATOM 765 C LYS A 53 -18.705 -24.585 -15.156 1.00 0.00 C ATOM 766 O LYS A 53 -19.438 -24.867 -14.210 1.00 0.00 O ATOM 767 CB LYS A 53 -19.478 -23.375 -17.203 1.00 0.00 C ATOM 768 CG LYS A 53 -19.618 -22.066 -17.960 1.00 0.00 C ATOM 769 CD LYS A 53 -20.816 -21.266 -17.474 1.00 0.00 C ATOM 770 CE LYS A 53 -20.776 -19.835 -17.988 1.00 0.00 C ATOM 771 NZ LYS A 53 -22.133 -19.225 -18.036 1.00 0.00 N ATOM 0 H LYS A 53 -17.203 -22.463 -16.965 1.00 0.00 H new ATOM 0 HA LYS A 53 -19.397 -22.563 -15.215 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -18.905 -24.076 -17.810 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -20.467 -23.810 -17.061 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -18.711 -21.475 -17.837 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -19.724 -22.270 -19.025 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -21.736 -21.748 -17.806 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -20.834 -21.262 -16.384 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -20.131 -19.236 -17.345 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -20.335 -19.819 -18.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -22.063 -18.250 -18.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -22.742 -19.782 -18.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -22.544 -19.216 -17.081 1.00 0.00 H new ATOM 785 N GLY A 54 -17.794 -25.425 -15.640 1.00 0.00 N ATOM 786 CA GLY A 54 -17.620 -26.744 -15.062 1.00 0.00 C ATOM 787 C GLY A 54 -16.809 -26.713 -13.782 1.00 0.00 C ATOM 788 O GLY A 54 -15.937 -27.557 -13.570 1.00 0.00 O ATOM 0 H GLY A 54 -17.174 -25.215 -16.422 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -18.598 -27.180 -14.858 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -17.126 -27.392 -15.786 1.00 0.00 H new ATOM 792 N CYS A 55 -17.094 -25.738 -12.926 1.00 0.00 N ATOM 793 CA CYS A 55 -16.383 -25.598 -11.661 1.00 0.00 C ATOM 794 C CYS A 55 -17.211 -24.802 -10.657 1.00 0.00 C ATOM 795 O CYS A 55 -17.401 -23.596 -10.811 1.00 0.00 O ATOM 796 CB CYS A 55 -15.033 -24.911 -11.883 1.00 0.00 C ATOM 797 SG CYS A 55 -13.822 -25.204 -10.554 1.00 0.00 S ATOM 0 H CYS A 55 -17.813 -25.032 -13.085 1.00 0.00 H new ATOM 0 HA CYS A 55 -16.213 -26.596 -11.256 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -14.612 -25.258 -12.827 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -15.195 -23.838 -11.982 1.00 0.00 H new ATOM 0 HG CYS A 55 -12.650 -24.790 -10.935 1.00 0.00 H new ATOM 802 N GLU A 56 -17.700 -25.487 -9.627 1.00 0.00 N ATOM 803 CA GLU A 56 -18.509 -24.843 -8.598 1.00 0.00 C ATOM 804 C GLU A 56 -17.652 -24.455 -7.397 1.00 0.00 C ATOM 805 O GLU A 56 -18.171 -24.168 -6.318 1.00 0.00 O ATOM 806 CB GLU A 56 -19.641 -25.771 -8.154 1.00 0.00 C ATOM 807 CG GLU A 56 -20.688 -26.011 -9.228 1.00 0.00 C ATOM 808 CD GLU A 56 -21.798 -24.979 -9.202 1.00 0.00 C ATOM 809 OE1 GLU A 56 -22.601 -24.993 -8.246 1.00 0.00 O ATOM 810 OE2 GLU A 56 -21.865 -24.156 -10.140 1.00 0.00 O ATOM 0 H GLU A 56 -17.550 -26.486 -9.483 1.00 0.00 H new ATOM 0 HA GLU A 56 -18.939 -23.936 -9.023 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -19.217 -26.728 -7.852 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -20.125 -25.345 -7.275 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -20.208 -25.999 -10.207 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -21.117 -27.004 -9.096 1.00 0.00 H new ATOM 817 N ARG A 57 -16.338 -24.451 -7.591 1.00 0.00 N ATOM 818 CA ARG A 57 -15.408 -24.101 -6.524 1.00 0.00 C ATOM 819 C ARG A 57 -15.431 -22.599 -6.254 1.00 0.00 C ATOM 820 O ARG A 57 -15.115 -21.797 -7.133 1.00 0.00 O ATOM 821 CB ARG A 57 -13.990 -24.544 -6.889 1.00 0.00 C ATOM 822 CG ARG A 57 -13.879 -26.024 -7.215 1.00 0.00 C ATOM 823 CD ARG A 57 -13.595 -26.849 -5.971 1.00 0.00 C ATOM 824 NE ARG A 57 -13.039 -28.160 -6.297 1.00 0.00 N ATOM 825 CZ ARG A 57 -11.746 -28.377 -6.508 1.00 0.00 C ATOM 826 NH1 ARG A 57 -10.880 -27.376 -6.426 1.00 0.00 N ATOM 827 NH2 ARG A 57 -11.316 -29.598 -6.801 1.00 0.00 N ATOM 0 H ARG A 57 -15.893 -24.686 -8.478 1.00 0.00 H new ATOM 0 HA ARG A 57 -15.721 -24.620 -5.618 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -13.647 -23.965 -7.747 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.321 -24.312 -6.060 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -14.805 -26.366 -7.676 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.084 -26.178 -7.944 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -12.898 -26.309 -5.330 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -14.517 -26.977 -5.403 1.00 0.00 H new ATOM 0 HE ARG A 57 -13.679 -28.952 -6.366 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.206 -26.436 -6.200 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.887 -27.546 -6.589 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.979 -30.371 -6.864 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.323 -29.764 -6.963 1.00 0.00 H new ATOM 841 N ARG A 58 -15.805 -22.228 -5.035 1.00 0.00 N ATOM 842 CA ARG A 58 -15.871 -20.824 -4.650 1.00 0.00 C ATOM 843 C ARG A 58 -14.822 -20.501 -3.590 1.00 0.00 C ATOM 844 O ARG A 58 -14.111 -21.387 -3.114 1.00 0.00 O ATOM 845 CB ARG A 58 -17.266 -20.481 -4.123 1.00 0.00 C ATOM 846 CG ARG A 58 -18.384 -20.827 -5.093 1.00 0.00 C ATOM 847 CD ARG A 58 -19.669 -20.092 -4.745 1.00 0.00 C ATOM 848 NE ARG A 58 -20.812 -20.599 -5.501 1.00 0.00 N ATOM 849 CZ ARG A 58 -21.877 -19.866 -5.802 1.00 0.00 C ATOM 850 NH1 ARG A 58 -21.947 -18.600 -5.414 1.00 0.00 N ATOM 851 NH2 ARG A 58 -22.876 -20.399 -6.494 1.00 0.00 N ATOM 0 H ARG A 58 -16.067 -22.881 -4.296 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.667 -20.221 -5.535 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -17.432 -21.012 -3.186 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -17.308 -19.415 -3.898 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -18.080 -20.570 -6.108 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -18.562 -21.902 -5.076 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -19.867 -20.193 -3.678 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -19.544 -19.028 -4.947 1.00 0.00 H new ATOM 0 HE ARG A 58 -20.790 -21.569 -5.815 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -21.181 -18.186 -4.882 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -22.767 -18.040 -5.647 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -22.826 -21.372 -6.795 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -23.694 -19.835 -6.725 1.00 0.00 H new ATOM 865 N PHE A 59 -14.731 -19.227 -3.223 1.00 0.00 N ATOM 866 CA PHE A 59 -13.768 -18.787 -2.220 1.00 0.00 C ATOM 867 C PHE A 59 -14.231 -17.496 -1.551 1.00 0.00 C ATOM 868 O PHE A 59 -14.911 -16.675 -2.166 1.00 0.00 O ATOM 869 CB PHE A 59 -12.393 -18.579 -2.858 1.00 0.00 C ATOM 870 CG PHE A 59 -11.998 -19.679 -3.802 1.00 0.00 C ATOM 871 CD1 PHE A 59 -12.410 -19.656 -5.125 1.00 0.00 C ATOM 872 CD2 PHE A 59 -11.215 -20.735 -3.367 1.00 0.00 C ATOM 873 CE1 PHE A 59 -12.048 -20.666 -5.995 1.00 0.00 C ATOM 874 CE2 PHE A 59 -10.850 -21.749 -4.232 1.00 0.00 C ATOM 875 CZ PHE A 59 -11.266 -21.714 -5.549 1.00 0.00 C ATOM 0 H PHE A 59 -15.312 -18.481 -3.605 1.00 0.00 H new ATOM 0 HA PHE A 59 -13.694 -19.564 -1.459 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -12.390 -17.631 -3.396 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -11.644 -18.501 -2.070 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -13.021 -18.839 -5.480 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -10.885 -20.767 -2.339 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -12.376 -20.636 -7.024 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -10.240 -22.568 -3.879 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.981 -22.504 -6.228 1.00 0.00 H new ATOM 885 N ALA A 60 -13.858 -17.324 -0.287 1.00 0.00 N ATOM 886 CA ALA A 60 -14.233 -16.135 0.466 1.00 0.00 C ATOM 887 C ALA A 60 -13.299 -14.970 0.153 1.00 0.00 C ATOM 888 O ALA A 60 -13.742 -13.831 -0.001 1.00 0.00 O ATOM 889 CB ALA A 60 -14.228 -16.430 1.958 1.00 0.00 C ATOM 0 H ALA A 60 -13.296 -17.995 0.237 1.00 0.00 H new ATOM 0 HA ALA A 60 -15.242 -15.850 0.167 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -14.510 -15.532 2.507 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -14.940 -17.226 2.174 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -13.230 -16.744 2.264 1.00 0.00 H new ATOM 895 N ARG A 61 -12.007 -15.263 0.060 1.00 0.00 N ATOM 896 CA ARG A 61 -11.010 -14.239 -0.233 1.00 0.00 C ATOM 897 C ARG A 61 -10.740 -14.157 -1.732 1.00 0.00 C ATOM 898 O ARG A 61 -10.861 -15.149 -2.450 1.00 0.00 O ATOM 899 CB ARG A 61 -9.709 -14.534 0.515 1.00 0.00 C ATOM 900 CG ARG A 61 -9.858 -14.515 2.028 1.00 0.00 C ATOM 901 CD ARG A 61 -9.600 -13.129 2.596 1.00 0.00 C ATOM 902 NE ARG A 61 -10.646 -12.181 2.223 1.00 0.00 N ATOM 903 CZ ARG A 61 -10.478 -10.863 2.221 1.00 0.00 C ATOM 904 NH1 ARG A 61 -9.309 -10.341 2.569 1.00 0.00 N ATOM 905 NH2 ARG A 61 -11.478 -10.066 1.868 1.00 0.00 N ATOM 0 H ARG A 61 -11.625 -16.201 0.183 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.403 -13.279 0.101 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -9.337 -15.511 0.207 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -8.958 -13.800 0.223 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.862 -14.839 2.300 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -9.162 -15.227 2.472 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -9.536 -13.189 3.682 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -8.637 -12.765 2.239 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.556 -12.551 1.949 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -8.538 -10.952 2.839 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.181 -9.329 2.567 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -12.377 -10.465 1.598 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.348 -9.054 1.867 1.00 0.00 H new ATOM 919 N SER A 62 -10.376 -12.967 -2.198 1.00 0.00 N ATOM 920 CA SER A 62 -10.092 -12.754 -3.613 1.00 0.00 C ATOM 921 C SER A 62 -8.896 -13.589 -4.060 1.00 0.00 C ATOM 922 O SER A 62 -8.997 -14.391 -4.989 1.00 0.00 O ATOM 923 CB SER A 62 -9.823 -11.272 -3.883 1.00 0.00 C ATOM 924 OG SER A 62 -8.735 -10.802 -3.108 1.00 0.00 O ATOM 0 H SER A 62 -10.271 -12.135 -1.617 1.00 0.00 H new ATOM 0 HA SER A 62 -10.965 -13.068 -4.184 1.00 0.00 H new ATOM 0 HB2 SER A 62 -9.610 -11.125 -4.942 1.00 0.00 H new ATOM 0 HB3 SER A 62 -10.715 -10.690 -3.654 1.00 0.00 H new ATOM 0 HG SER A 62 -8.582 -9.853 -3.300 1.00 0.00 H new ATOM 930 N ASP A 63 -7.764 -13.395 -3.392 1.00 0.00 N ATOM 931 CA ASP A 63 -6.548 -14.131 -3.718 1.00 0.00 C ATOM 932 C ASP A 63 -6.862 -15.592 -4.021 1.00 0.00 C ATOM 933 O ASP A 63 -6.517 -16.103 -5.086 1.00 0.00 O ATOM 934 CB ASP A 63 -5.547 -14.039 -2.566 1.00 0.00 C ATOM 935 CG ASP A 63 -4.342 -14.936 -2.773 1.00 0.00 C ATOM 936 OD1 ASP A 63 -4.538 -16.147 -3.005 1.00 0.00 O ATOM 937 OD2 ASP A 63 -3.204 -14.426 -2.702 1.00 0.00 O ATOM 0 H ASP A 63 -7.663 -12.734 -2.621 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.108 -13.681 -4.608 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -5.214 -13.007 -2.460 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.043 -14.311 -1.635 1.00 0.00 H new ATOM 942 N GLU A 64 -7.517 -16.259 -3.076 1.00 0.00 N ATOM 943 CA GLU A 64 -7.875 -17.664 -3.242 1.00 0.00 C ATOM 944 C GLU A 64 -8.312 -17.947 -4.677 1.00 0.00 C ATOM 945 O GLU A 64 -7.727 -18.789 -5.361 1.00 0.00 O ATOM 946 CB GLU A 64 -8.996 -18.045 -2.272 1.00 0.00 C ATOM 947 CG GLU A 64 -8.604 -17.914 -0.810 1.00 0.00 C ATOM 948 CD GLU A 64 -7.709 -19.045 -0.341 1.00 0.00 C ATOM 949 OE1 GLU A 64 -6.662 -19.277 -0.981 1.00 0.00 O ATOM 950 OE2 GLU A 64 -8.055 -19.697 0.665 1.00 0.00 O ATOM 0 H GLU A 64 -7.810 -15.850 -2.189 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.993 -18.266 -3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.863 -17.413 -2.465 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -9.301 -19.073 -2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.091 -16.964 -0.659 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.505 -17.891 -0.197 1.00 0.00 H new ATOM 957 N LEU A 65 -9.343 -17.240 -5.126 1.00 0.00 N ATOM 958 CA LEU A 65 -9.859 -17.416 -6.479 1.00 0.00 C ATOM 959 C LEU A 65 -8.763 -17.186 -7.514 1.00 0.00 C ATOM 960 O LEU A 65 -8.566 -18.000 -8.416 1.00 0.00 O ATOM 961 CB LEU A 65 -11.024 -16.456 -6.730 1.00 0.00 C ATOM 962 CG LEU A 65 -11.588 -16.442 -8.151 1.00 0.00 C ATOM 963 CD1 LEU A 65 -12.195 -17.793 -8.498 1.00 0.00 C ATOM 964 CD2 LEU A 65 -12.621 -15.336 -8.304 1.00 0.00 C ATOM 0 H LEU A 65 -9.838 -16.540 -4.573 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.214 -18.442 -6.576 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -11.831 -16.709 -6.043 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.697 -15.447 -6.480 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.770 -16.246 -8.844 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -12.591 -17.764 -9.513 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.428 -18.565 -8.430 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -13.001 -18.020 -7.800 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -13.012 -15.341 -9.322 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -13.438 -15.501 -7.601 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.155 -14.372 -8.099 1.00 0.00 H new ATOM 976 N SER A 66 -8.052 -16.071 -7.378 1.00 0.00 N ATOM 977 CA SER A 66 -6.977 -15.732 -8.302 1.00 0.00 C ATOM 978 C SER A 66 -6.026 -16.912 -8.485 1.00 0.00 C ATOM 979 O SER A 66 -5.782 -17.357 -9.607 1.00 0.00 O ATOM 980 CB SER A 66 -6.203 -14.514 -7.793 1.00 0.00 C ATOM 981 OG SER A 66 -5.080 -14.909 -7.024 1.00 0.00 O ATOM 0 H SER A 66 -8.202 -15.387 -6.636 1.00 0.00 H new ATOM 0 HA SER A 66 -7.423 -15.493 -9.267 1.00 0.00 H new ATOM 0 HB2 SER A 66 -5.875 -13.909 -8.638 1.00 0.00 H new ATOM 0 HB3 SER A 66 -6.860 -13.888 -7.189 1.00 0.00 H new ATOM 0 HG SER A 66 -5.375 -15.182 -6.130 1.00 0.00 H new ATOM 987 N ARG A 67 -5.495 -17.414 -7.376 1.00 0.00 N ATOM 988 CA ARG A 67 -4.570 -18.540 -7.414 1.00 0.00 C ATOM 989 C ARG A 67 -5.241 -19.773 -8.011 1.00 0.00 C ATOM 990 O ARG A 67 -4.609 -20.549 -8.730 1.00 0.00 O ATOM 991 CB ARG A 67 -4.060 -18.856 -6.006 1.00 0.00 C ATOM 992 CG ARG A 67 -2.733 -19.598 -5.991 1.00 0.00 C ATOM 993 CD ARG A 67 -2.582 -20.442 -4.736 1.00 0.00 C ATOM 994 NE ARG A 67 -1.180 -20.671 -4.396 1.00 0.00 N ATOM 995 CZ ARG A 67 -0.779 -21.202 -3.246 1.00 0.00 C ATOM 996 NH1 ARG A 67 -1.670 -21.559 -2.332 1.00 0.00 N ATOM 997 NH2 ARG A 67 0.515 -21.378 -3.011 1.00 0.00 N ATOM 0 H ARG A 67 -5.689 -17.059 -6.440 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.726 -18.264 -8.046 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -3.952 -17.925 -5.450 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.807 -19.454 -5.484 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.662 -20.237 -6.871 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -1.914 -18.882 -6.050 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.081 -19.946 -3.903 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.081 -21.400 -4.881 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.470 -20.409 -5.079 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.665 -21.426 -2.511 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -1.360 -21.967 -1.450 1.00 0.00 H new ATOM 0 HH21 ARG A 67 1.203 -21.106 -3.713 1.00 0.00 H new ATOM 0 HH22 ARG A 67 0.822 -21.786 -2.128 1.00 0.00 H new ATOM 1011 N HIS A 68 -6.523 -19.948 -7.710 1.00 0.00 N ATOM 1012 CA HIS A 68 -7.280 -21.087 -8.218 1.00 0.00 C ATOM 1013 C HIS A 68 -7.378 -21.039 -9.740 1.00 0.00 C ATOM 1014 O HIS A 68 -6.919 -21.950 -10.430 1.00 0.00 O ATOM 1015 CB HIS A 68 -8.681 -21.110 -7.606 1.00 0.00 C ATOM 1016 CG HIS A 68 -9.620 -22.052 -8.294 1.00 0.00 C ATOM 1017 ND1 HIS A 68 -9.616 -23.413 -8.073 1.00 0.00 N ATOM 1018 CD2 HIS A 68 -10.598 -21.823 -9.201 1.00 0.00 C ATOM 1019 CE1 HIS A 68 -10.549 -23.980 -8.816 1.00 0.00 C ATOM 1020 NE2 HIS A 68 -11.160 -23.037 -9.509 1.00 0.00 N ATOM 0 H HIS A 68 -7.060 -19.316 -7.117 1.00 0.00 H new ATOM 0 HA HIS A 68 -6.753 -21.998 -7.934 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -8.605 -21.389 -6.555 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -9.100 -20.104 -7.639 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -8.990 -23.905 -7.435 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -10.883 -20.864 -9.607 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -10.774 -25.036 -8.851 1.00 0.00 H new ATOM 1028 N ARG A 69 -7.979 -19.972 -10.257 1.00 0.00 N ATOM 1029 CA ARG A 69 -8.139 -19.808 -11.696 1.00 0.00 C ATOM 1030 C ARG A 69 -6.923 -20.347 -12.443 1.00 0.00 C ATOM 1031 O ARG A 69 -7.055 -20.960 -13.503 1.00 0.00 O ATOM 1032 CB ARG A 69 -8.350 -18.333 -12.042 1.00 0.00 C ATOM 1033 CG ARG A 69 -9.749 -17.827 -11.725 1.00 0.00 C ATOM 1034 CD ARG A 69 -10.721 -18.137 -12.852 1.00 0.00 C ATOM 1035 NE ARG A 69 -10.373 -17.434 -14.085 1.00 0.00 N ATOM 1036 CZ ARG A 69 -10.743 -16.186 -14.348 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -11.467 -15.506 -13.470 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -10.386 -15.614 -15.491 1.00 0.00 N ATOM 0 H ARG A 69 -8.363 -19.209 -9.700 1.00 0.00 H new ATOM 0 HA ARG A 69 -9.016 -20.376 -12.006 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -7.623 -17.733 -11.495 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.151 -18.185 -13.104 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -10.103 -18.286 -10.801 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -9.718 -16.751 -11.555 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.730 -19.211 -13.037 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -11.730 -17.857 -12.548 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.816 -17.929 -14.781 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.742 -15.941 -12.589 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -11.749 -14.548 -13.675 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.827 -16.133 -16.168 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.671 -14.655 -15.692 1.00 0.00 H new ATOM 1052 N ARG A 70 -5.740 -20.114 -11.884 1.00 0.00 N ATOM 1053 CA ARG A 70 -4.500 -20.575 -12.498 1.00 0.00 C ATOM 1054 C ARG A 70 -4.635 -22.017 -12.979 1.00 0.00 C ATOM 1055 O ARG A 70 -4.273 -22.342 -14.110 1.00 0.00 O ATOM 1056 CB ARG A 70 -3.342 -20.463 -11.504 1.00 0.00 C ATOM 1057 CG ARG A 70 -3.032 -19.035 -11.088 1.00 0.00 C ATOM 1058 CD ARG A 70 -1.897 -18.983 -10.078 1.00 0.00 C ATOM 1059 NE ARG A 70 -0.670 -19.575 -10.604 1.00 0.00 N ATOM 1060 CZ ARG A 70 0.544 -19.259 -10.167 1.00 0.00 C ATOM 1061 NH1 ARG A 70 0.694 -18.360 -9.205 1.00 0.00 N ATOM 1062 NH2 ARG A 70 1.614 -19.842 -10.696 1.00 0.00 N ATOM 0 H ARG A 70 -5.614 -19.609 -11.007 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.292 -19.941 -13.360 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -3.579 -21.048 -10.615 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -2.450 -20.905 -11.947 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.765 -18.449 -11.967 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.924 -18.578 -10.659 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -1.708 -17.947 -9.797 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.194 -19.510 -9.171 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.749 -20.269 -11.347 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -0.124 -17.908 -8.797 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.628 -18.120 -8.872 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.504 -20.533 -11.438 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.546 -19.599 -10.360 1.00 0.00 H new ATOM 1076 N THR A 71 -5.157 -22.879 -12.111 1.00 0.00 N ATOM 1077 CA THR A 71 -5.338 -24.285 -12.446 1.00 0.00 C ATOM 1078 C THR A 71 -6.074 -24.445 -13.771 1.00 0.00 C ATOM 1079 O THR A 71 -5.844 -25.403 -14.509 1.00 0.00 O ATOM 1080 CB THR A 71 -6.118 -25.029 -11.344 1.00 0.00 C ATOM 1081 OG1 THR A 71 -6.264 -26.409 -11.696 1.00 0.00 O ATOM 1082 CG2 THR A 71 -7.489 -24.404 -11.137 1.00 0.00 C ATOM 0 H THR A 71 -5.462 -22.627 -11.171 1.00 0.00 H new ATOM 0 HA THR A 71 -4.342 -24.720 -12.533 1.00 0.00 H new ATOM 0 HB THR A 71 -5.556 -24.950 -10.413 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.759 -26.876 -10.991 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.021 -24.945 -10.355 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.373 -23.361 -10.842 1.00 0.00 H new ATOM 0 HG23 THR A 71 -8.057 -24.457 -12.066 1.00 0.00 H new ATOM 1090 N HIS A 72 -6.961 -23.501 -14.067 1.00 0.00 N ATOM 1091 CA HIS A 72 -7.731 -23.536 -15.305 1.00 0.00 C ATOM 1092 C HIS A 72 -6.881 -23.078 -16.487 1.00 0.00 C ATOM 1093 O HIS A 72 -5.765 -22.589 -16.309 1.00 0.00 O ATOM 1094 CB HIS A 72 -8.974 -22.654 -15.184 1.00 0.00 C ATOM 1095 CG HIS A 72 -10.039 -23.238 -14.308 1.00 0.00 C ATOM 1096 ND1 HIS A 72 -11.018 -24.086 -14.778 1.00 0.00 N ATOM 1097 CD2 HIS A 72 -10.274 -23.092 -12.983 1.00 0.00 C ATOM 1098 CE1 HIS A 72 -11.810 -24.436 -13.781 1.00 0.00 C ATOM 1099 NE2 HIS A 72 -11.380 -23.846 -12.679 1.00 0.00 N ATOM 0 H HIS A 72 -7.165 -22.702 -13.466 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.042 -24.566 -15.481 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.682 -21.681 -14.788 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.386 -22.483 -16.178 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -11.116 -24.395 -15.745 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -9.698 -22.493 -12.293 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -12.664 -25.093 -13.854 1.00 0.00 H new