USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=24 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 148:sc= -0.0213 USER MOD Set 1.2: A 55 CYS SG : rot -171:sc= -1.06 USER MOD Set 1.3: A 68 HIS : no HE2:sc= -4.53! K(o=-5.8!,f=-6.6) USER MOD Set 1.4: A 72 HIS : no HE2:sc= -0.228 X(o=-5.8,f=-6.1) USER MOD Set 2.1: A 20 CYS SG : rot -167:sc= -0.112 USER MOD Set 2.2: A 25 CYS SG : rot 138:sc= -0.592 USER MOD Set 2.3: A 27 LYS NZ :NH3+ -143:sc= 0.423 (180deg=0) USER MOD Set 2.4: A 38 HIS :FLIP no HE2:sc= -0.156 F(o=-0.053,f=0.8) USER MOD Set 2.5: A 41 THR OG1 : rot -52:sc= 1.17 USER MOD Set 2.6: A 42 HIS : no HE2:sc= 0.0613 K(o=0.8,f=-1.1) USER MOD Set 3.1: A 18 HIS :FLIP no HD1:sc= -7.43! C(o=-9.3!,f=-6.7!) USER MOD Set 3.2: A 32 SER OG : rot 41:sc= 0.732 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= -0.064 X(o=-0.064,f=-0.071) USER MOD Single : A 28 THR OG1 : rot 39:sc= -1.98! USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -1.24 X(o=-1.2,f=-1.4) USER MOD Single : A 36 LYS NZ :NH3+ -152:sc= -0.132 (180deg=-1.03) USER MOD Single : A 39 THR OG1 : rot 180:sc=-0.00664 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 -46:sc= 0.284 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 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 -3.582 1.305 9.325 1.00 0.00 N ATOM 194 CA ARG A 16 -4.494 0.205 9.615 1.00 0.00 C ATOM 195 C ARG A 16 -4.582 -0.047 11.117 1.00 0.00 C ATOM 196 O ARG A 16 -3.670 -0.618 11.715 1.00 0.00 O ATOM 197 CB ARG A 16 -4.036 -1.067 8.900 1.00 0.00 C ATOM 198 CG ARG A 16 -2.648 -1.531 9.311 1.00 0.00 C ATOM 199 CD ARG A 16 -2.085 -2.545 8.327 1.00 0.00 C ATOM 200 NE ARG A 16 -0.627 -2.599 8.371 1.00 0.00 N ATOM 201 CZ ARG A 16 0.160 -1.842 7.614 1.00 0.00 C ATOM 202 NH1 ARG A 16 -0.369 -0.978 6.759 1.00 0.00 N ATOM 203 NH2 ARG A 16 1.479 -1.948 7.711 1.00 0.00 N ATOM 0 HA ARG A 16 -5.484 0.482 9.252 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.751 -1.865 9.102 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.048 -0.893 7.824 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -1.980 -0.672 9.372 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.691 -1.973 10.306 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.491 -3.531 8.551 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.408 -2.289 7.318 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.188 -3.254 9.018 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.382 -0.893 6.681 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.237 -0.398 6.179 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.890 -2.611 8.367 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.082 -1.366 7.129 1.00 0.00 H new ATOM 217 N SER A 17 -5.685 0.383 11.720 1.00 0.00 N ATOM 218 CA SER A 17 -5.891 0.208 13.153 1.00 0.00 C ATOM 219 C SER A 17 -6.758 -1.015 13.433 1.00 0.00 C ATOM 220 O SER A 17 -6.279 -2.027 13.947 1.00 0.00 O ATOM 221 CB SER A 17 -6.542 1.456 13.753 1.00 0.00 C ATOM 222 OG SER A 17 -5.563 2.363 14.229 1.00 0.00 O ATOM 0 H SER A 17 -6.450 0.855 11.239 1.00 0.00 H new ATOM 0 HA SER A 17 -4.917 0.055 13.618 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.160 1.945 13.000 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.203 1.168 14.570 1.00 0.00 H new ATOM 0 HG SER A 17 -6.004 3.153 14.606 1.00 0.00 H new ATOM 228 N HIS A 18 -8.038 -0.917 13.089 1.00 0.00 N ATOM 229 CA HIS A 18 -8.974 -2.016 13.301 1.00 0.00 C ATOM 230 C HIS A 18 -8.453 -3.303 12.669 1.00 0.00 C ATOM 231 O HIS A 18 -8.414 -3.433 11.446 1.00 0.00 O ATOM 232 CB HIS A 18 -10.344 -1.667 12.719 1.00 0.00 C ATOM 233 CG HIS A 18 -11.124 -0.702 13.559 1.00 0.00 C ATOM 234 ND1 HIS A 18 -10.842 0.563 13.946 1.00 0.00 N flip ATOM 235 CD2 HIS A 18 -12.353 -1.005 14.106 1.00 0.00 C flip ATOM 236 CE1 HIS A 18 -11.896 0.999 14.712 1.00 0.00 C flip ATOM 237 NE2 HIS A 18 -12.795 0.034 14.792 1.00 0.00 N flip ATOM 0 H HIS A 18 -8.451 -0.088 12.662 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.073 -2.173 14.375 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.210 -1.243 11.724 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.923 -2.583 12.600 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.873 -1.945 13.992 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.977 1.972 15.174 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -13.680 0.083 15.297 1.00 0.00 H new ATOM 245 N ILE A 19 -8.053 -4.249 13.511 1.00 0.00 N ATOM 246 CA ILE A 19 -7.534 -5.526 13.036 1.00 0.00 C ATOM 247 C ILE A 19 -8.640 -6.572 12.954 1.00 0.00 C ATOM 248 O ILE A 19 -9.631 -6.503 13.682 1.00 0.00 O ATOM 249 CB ILE A 19 -6.410 -6.053 13.947 1.00 0.00 C ATOM 250 CG1 ILE A 19 -5.564 -4.892 14.474 1.00 0.00 C ATOM 251 CG2 ILE A 19 -5.541 -7.050 13.195 1.00 0.00 C ATOM 252 CD1 ILE A 19 -6.043 -4.349 15.802 1.00 0.00 C ATOM 0 H ILE A 19 -8.078 -4.156 14.526 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.128 -5.350 12.040 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.862 -6.564 14.797 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.531 -5.224 14.578 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.568 -4.087 13.739 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.751 -7.413 13.853 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.153 -7.890 12.865 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.095 -6.563 12.328 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.397 -3.529 16.114 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.066 -3.986 15.699 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.012 -5.140 16.551 1.00 0.00 H new ATOM 264 N CYS A 20 -8.464 -7.544 12.064 1.00 0.00 N ATOM 265 CA CYS A 20 -9.445 -8.607 11.887 1.00 0.00 C ATOM 266 C CYS A 20 -9.536 -9.477 13.137 1.00 0.00 C ATOM 267 O CYS A 20 -8.681 -10.331 13.375 1.00 0.00 O ATOM 268 CB CYS A 20 -9.081 -9.469 10.677 1.00 0.00 C ATOM 269 SG CYS A 20 -10.188 -10.893 10.419 1.00 0.00 S ATOM 0 H CYS A 20 -7.650 -7.617 11.454 1.00 0.00 H new ATOM 0 HA CYS A 20 -10.417 -8.145 11.716 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -9.094 -8.846 9.783 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.061 -9.833 10.797 1.00 0.00 H new ATOM 0 HG CYS A 20 -9.657 -11.704 9.552 1.00 0.00 H new ATOM 274 N SER A 21 -10.577 -9.255 13.932 1.00 0.00 N ATOM 275 CA SER A 21 -10.777 -10.015 15.160 1.00 0.00 C ATOM 276 C SER A 21 -10.351 -11.468 14.975 1.00 0.00 C ATOM 277 O SER A 21 -9.779 -12.080 15.879 1.00 0.00 O ATOM 278 CB SER A 21 -12.245 -9.954 15.589 1.00 0.00 C ATOM 279 OG SER A 21 -12.444 -10.622 16.823 1.00 0.00 O ATOM 0 H SER A 21 -11.295 -8.555 13.748 1.00 0.00 H new ATOM 0 HA SER A 21 -10.158 -9.569 15.939 1.00 0.00 H new ATOM 0 HB2 SER A 21 -12.557 -8.914 15.681 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.871 -10.408 14.821 1.00 0.00 H new ATOM 0 HG SER A 21 -13.389 -10.567 17.076 1.00 0.00 H new ATOM 285 N HIS A 22 -10.630 -12.015 13.797 1.00 0.00 N ATOM 286 CA HIS A 22 -10.274 -13.396 13.491 1.00 0.00 C ATOM 287 C HIS A 22 -8.770 -13.612 13.621 1.00 0.00 C ATOM 288 O HIS A 22 -7.962 -12.871 13.062 1.00 0.00 O ATOM 289 CB HIS A 22 -10.733 -13.763 12.079 1.00 0.00 C ATOM 290 CG HIS A 22 -11.088 -15.209 11.921 1.00 0.00 C ATOM 291 ND1 HIS A 22 -12.218 -15.772 12.476 1.00 0.00 N ATOM 292 CD2 HIS A 22 -10.457 -16.210 11.264 1.00 0.00 C ATOM 293 CE1 HIS A 22 -12.265 -17.056 12.169 1.00 0.00 C ATOM 294 NE2 HIS A 22 -11.207 -17.347 11.433 1.00 0.00 N ATOM 0 H HIS A 22 -11.102 -11.523 13.038 1.00 0.00 H new ATOM 0 HA HIS A 22 -10.779 -14.042 14.209 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.599 -13.154 11.818 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.942 -13.512 11.372 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.534 -16.129 10.709 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.037 -17.750 12.469 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -10.984 -18.267 11.052 1.00 0.00 H new ATOM 302 N PRO A 23 -8.383 -14.649 14.378 1.00 0.00 N ATOM 303 CA PRO A 23 -6.974 -14.986 14.600 1.00 0.00 C ATOM 304 C PRO A 23 -6.302 -15.526 13.342 1.00 0.00 C ATOM 305 O PRO A 23 -6.941 -16.174 12.515 1.00 0.00 O ATOM 306 CB PRO A 23 -7.034 -16.067 15.682 1.00 0.00 C ATOM 307 CG PRO A 23 -8.381 -16.682 15.529 1.00 0.00 C ATOM 308 CD PRO A 23 -9.292 -15.575 15.075 1.00 0.00 C ATOM 0 HA PRO A 23 -6.386 -14.113 14.883 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -6.244 -16.806 15.548 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -6.905 -15.639 16.676 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -8.359 -17.493 14.801 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -8.725 -17.109 16.471 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -10.074 -15.945 14.412 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -9.789 -15.093 15.917 1.00 0.00 H new ATOM 316 N GLY A 24 -5.007 -15.256 13.206 1.00 0.00 N ATOM 317 CA GLY A 24 -4.270 -15.724 12.046 1.00 0.00 C ATOM 318 C GLY A 24 -4.335 -14.750 10.887 1.00 0.00 C ATOM 319 O GLY A 24 -3.339 -14.524 10.199 1.00 0.00 O ATOM 0 H GLY A 24 -4.455 -14.722 13.878 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.228 -15.886 12.322 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.670 -16.688 11.730 1.00 0.00 H new ATOM 323 N CYS A 25 -5.512 -14.172 10.666 1.00 0.00 N ATOM 324 CA CYS A 25 -5.706 -13.219 9.580 1.00 0.00 C ATOM 325 C CYS A 25 -4.683 -12.089 9.660 1.00 0.00 C ATOM 326 O CYS A 25 -3.791 -11.985 8.820 1.00 0.00 O ATOM 327 CB CYS A 25 -7.123 -12.643 9.626 1.00 0.00 C ATOM 328 SG CYS A 25 -7.795 -12.194 7.993 1.00 0.00 S ATOM 0 H CYS A 25 -6.346 -14.348 11.226 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.566 -13.747 8.637 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.786 -13.372 10.092 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.124 -11.759 10.263 1.00 0.00 H new ATOM 0 HG CYS A 25 -9.037 -12.570 7.916 1.00 0.00 H new ATOM 333 N GLY A 26 -4.819 -11.244 10.678 1.00 0.00 N ATOM 334 CA GLY A 26 -3.901 -10.134 10.849 1.00 0.00 C ATOM 335 C GLY A 26 -4.239 -8.959 9.953 1.00 0.00 C ATOM 336 O GLY A 26 -3.856 -7.824 10.235 1.00 0.00 O ATOM 0 H GLY A 26 -5.549 -11.309 11.387 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.917 -9.810 11.890 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.886 -10.470 10.636 1.00 0.00 H new ATOM 340 N LYS A 27 -4.957 -9.231 8.868 1.00 0.00 N ATOM 341 CA LYS A 27 -5.346 -8.188 7.927 1.00 0.00 C ATOM 342 C LYS A 27 -6.025 -7.028 8.649 1.00 0.00 C ATOM 343 O LYS A 27 -7.171 -7.140 9.087 1.00 0.00 O ATOM 344 CB LYS A 27 -6.285 -8.759 6.862 1.00 0.00 C ATOM 345 CG LYS A 27 -5.722 -9.971 6.139 1.00 0.00 C ATOM 346 CD LYS A 27 -6.264 -10.079 4.725 1.00 0.00 C ATOM 347 CE LYS A 27 -7.568 -10.862 4.687 1.00 0.00 C ATOM 348 NZ LYS A 27 -7.332 -12.332 4.652 1.00 0.00 N ATOM 0 H LYS A 27 -5.281 -10.166 8.619 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.443 -7.813 7.445 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -7.229 -9.033 7.332 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.507 -7.981 6.131 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.634 -9.905 6.108 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.971 -10.875 6.695 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.426 -9.081 4.319 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.527 -10.567 4.088 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -8.168 -10.611 5.562 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.144 -10.566 3.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.042 -12.783 4.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.381 -12.522 4.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.408 -12.719 5.614 1.00 0.00 H new ATOM 362 N THR A 28 -5.311 -5.914 8.771 1.00 0.00 N ATOM 363 CA THR A 28 -5.844 -4.733 9.440 1.00 0.00 C ATOM 364 C THR A 28 -6.292 -3.685 8.429 1.00 0.00 C ATOM 365 O THR A 28 -5.808 -3.652 7.297 1.00 0.00 O ATOM 366 CB THR A 28 -4.804 -4.106 10.386 1.00 0.00 C ATOM 367 OG1 THR A 28 -4.171 -5.128 11.165 1.00 0.00 O ATOM 368 CG2 THR A 28 -5.456 -3.089 11.310 1.00 0.00 C ATOM 0 H THR A 28 -4.361 -5.804 8.415 1.00 0.00 H new ATOM 0 HA THR A 28 -6.704 -5.061 10.024 1.00 0.00 H new ATOM 0 HB THR A 28 -4.056 -3.595 9.780 1.00 0.00 H new ATOM 0 HG1 THR A 28 -4.027 -5.922 10.608 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.701 -2.660 11.969 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.912 -2.297 10.716 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.223 -3.580 11.909 1.00 0.00 H new ATOM 376 N TYR A 29 -7.220 -2.829 8.844 1.00 0.00 N ATOM 377 CA TYR A 29 -7.735 -1.779 7.973 1.00 0.00 C ATOM 378 C TYR A 29 -7.873 -0.462 8.731 1.00 0.00 C ATOM 379 O TYR A 29 -8.397 -0.425 9.845 1.00 0.00 O ATOM 380 CB TYR A 29 -9.088 -2.189 7.390 1.00 0.00 C ATOM 381 CG TYR A 29 -9.010 -3.371 6.452 1.00 0.00 C ATOM 382 CD1 TYR A 29 -8.356 -3.273 5.230 1.00 0.00 C ATOM 383 CD2 TYR A 29 -9.590 -4.589 6.788 1.00 0.00 C ATOM 384 CE1 TYR A 29 -8.283 -4.351 4.370 1.00 0.00 C ATOM 385 CE2 TYR A 29 -9.521 -5.673 5.934 1.00 0.00 C ATOM 386 CZ TYR A 29 -8.866 -5.548 4.726 1.00 0.00 C ATOM 387 OH TYR A 29 -8.795 -6.626 3.872 1.00 0.00 O ATOM 0 H TYR A 29 -7.631 -2.842 9.778 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.025 -1.636 7.159 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -9.769 -2.429 8.207 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.516 -1.340 6.857 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.897 -2.337 4.948 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.103 -4.690 7.733 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.772 -4.257 3.423 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.977 -6.612 6.210 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.255 -7.392 4.274 1.00 0.00 H new ATOM 397 N PHE A 30 -7.398 0.618 8.118 1.00 0.00 N ATOM 398 CA PHE A 30 -7.468 1.939 8.734 1.00 0.00 C ATOM 399 C PHE A 30 -8.915 2.337 9.005 1.00 0.00 C ATOM 400 O PHE A 30 -9.233 2.889 10.058 1.00 0.00 O ATOM 401 CB PHE A 30 -6.799 2.979 7.834 1.00 0.00 C ATOM 402 CG PHE A 30 -7.017 2.733 6.368 1.00 0.00 C ATOM 403 CD1 PHE A 30 -6.168 1.899 5.659 1.00 0.00 C ATOM 404 CD2 PHE A 30 -8.070 3.336 5.699 1.00 0.00 C ATOM 405 CE1 PHE A 30 -6.366 1.669 4.310 1.00 0.00 C ATOM 406 CE2 PHE A 30 -8.273 3.110 4.351 1.00 0.00 C ATOM 407 CZ PHE A 30 -7.419 2.277 3.656 1.00 0.00 C ATOM 0 H PHE A 30 -6.961 0.605 7.196 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.938 1.898 9.686 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.181 3.968 8.089 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -5.728 2.989 8.037 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.342 1.423 6.166 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -8.740 3.990 6.237 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.698 1.015 3.769 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.099 3.584 3.842 1.00 0.00 H new ATOM 0 HZ PHE A 30 -7.575 2.101 2.602 1.00 0.00 H new ATOM 417 N LYS A 31 -9.790 2.055 8.045 1.00 0.00 N ATOM 418 CA LYS A 31 -11.204 2.382 8.177 1.00 0.00 C ATOM 419 C LYS A 31 -11.876 1.487 9.213 1.00 0.00 C ATOM 420 O LYS A 31 -12.118 0.306 8.964 1.00 0.00 O ATOM 421 CB LYS A 31 -11.911 2.236 6.827 1.00 0.00 C ATOM 422 CG LYS A 31 -11.712 3.426 5.904 1.00 0.00 C ATOM 423 CD LYS A 31 -12.775 4.488 6.129 1.00 0.00 C ATOM 424 CE LYS A 31 -12.347 5.491 7.190 1.00 0.00 C ATOM 425 NZ LYS A 31 -13.044 6.796 7.034 1.00 0.00 N ATOM 0 H LYS A 31 -9.543 1.600 7.166 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.281 3.417 8.511 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.546 1.337 6.331 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.978 2.094 6.999 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.725 3.857 6.071 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.743 3.093 4.867 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -12.973 5.010 5.193 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.708 4.012 6.432 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -12.556 5.084 8.179 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.270 5.645 7.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.725 7.451 7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.825 7.197 6.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -14.071 6.653 7.117 1.00 0.00 H new ATOM 439 N SER A 32 -12.174 2.057 10.377 1.00 0.00 N ATOM 440 CA SER A 32 -12.816 1.309 11.452 1.00 0.00 C ATOM 441 C SER A 32 -13.921 0.412 10.905 1.00 0.00 C ATOM 442 O SER A 32 -13.897 -0.805 11.091 1.00 0.00 O ATOM 443 CB SER A 32 -13.390 2.268 12.495 1.00 0.00 C ATOM 444 OG SER A 32 -14.336 1.614 13.324 1.00 0.00 O ATOM 0 H SER A 32 -11.981 3.034 10.599 1.00 0.00 H new ATOM 0 HA SER A 32 -12.062 0.679 11.924 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.583 2.670 13.107 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.863 3.113 11.995 1.00 0.00 H new ATOM 0 HG SER A 32 -14.008 0.719 13.552 1.00 0.00 H new ATOM 450 N SER A 33 -14.890 1.023 10.231 1.00 0.00 N ATOM 451 CA SER A 33 -16.009 0.280 9.660 1.00 0.00 C ATOM 452 C SER A 33 -15.509 -0.853 8.767 1.00 0.00 C ATOM 453 O SER A 33 -15.819 -2.022 8.999 1.00 0.00 O ATOM 454 CB SER A 33 -16.913 1.217 8.856 1.00 0.00 C ATOM 455 OG SER A 33 -17.842 1.875 9.699 1.00 0.00 O ATOM 0 H SER A 33 -14.924 2.029 10.067 1.00 0.00 H new ATOM 0 HA SER A 33 -16.583 -0.152 10.480 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.304 1.955 8.334 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.447 0.648 8.095 1.00 0.00 H new ATOM 0 HG SER A 33 -18.407 2.469 9.162 1.00 0.00 H new ATOM 461 N HIS A 34 -14.735 -0.497 7.747 1.00 0.00 N ATOM 462 CA HIS A 34 -14.192 -1.483 6.819 1.00 0.00 C ATOM 463 C HIS A 34 -13.916 -2.803 7.531 1.00 0.00 C ATOM 464 O HIS A 34 -14.543 -3.822 7.240 1.00 0.00 O ATOM 465 CB HIS A 34 -12.909 -0.957 6.178 1.00 0.00 C ATOM 466 CG HIS A 34 -13.149 -0.082 4.985 1.00 0.00 C ATOM 467 ND1 HIS A 34 -12.204 0.130 4.005 1.00 0.00 N ATOM 468 CD2 HIS A 34 -14.238 0.633 4.618 1.00 0.00 C ATOM 469 CE1 HIS A 34 -12.699 0.940 3.086 1.00 0.00 C ATOM 470 NE2 HIS A 34 -13.932 1.260 3.435 1.00 0.00 N ATOM 0 H HIS A 34 -14.470 0.466 7.542 1.00 0.00 H new ATOM 0 HA HIS A 34 -14.932 -1.659 6.039 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.345 -0.395 6.922 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -12.289 -1.802 5.879 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -15.173 0.698 5.155 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -12.184 1.282 2.201 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -14.556 1.873 2.911 1.00 0.00 H new ATOM 478 N LEU A 35 -12.971 -2.780 8.465 1.00 0.00 N ATOM 479 CA LEU A 35 -12.609 -3.976 9.219 1.00 0.00 C ATOM 480 C LEU A 35 -13.843 -4.820 9.523 1.00 0.00 C ATOM 481 O LEU A 35 -13.949 -5.964 9.081 1.00 0.00 O ATOM 482 CB LEU A 35 -11.908 -3.589 10.522 1.00 0.00 C ATOM 483 CG LEU A 35 -12.095 -4.550 11.696 1.00 0.00 C ATOM 484 CD1 LEU A 35 -13.336 -4.183 12.494 1.00 0.00 C ATOM 485 CD2 LEU A 35 -12.184 -5.986 11.201 1.00 0.00 C ATOM 0 H LEU A 35 -12.441 -1.946 8.718 1.00 0.00 H new ATOM 0 HA LEU A 35 -11.926 -4.568 8.609 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -10.841 -3.494 10.323 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -12.264 -2.604 10.824 1.00 0.00 H new ATOM 0 HG LEU A 35 -11.228 -4.465 12.351 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.453 -4.878 13.325 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.233 -3.169 12.880 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -14.213 -4.238 11.849 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.317 -6.656 12.050 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -13.032 -6.086 10.524 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -11.266 -6.247 10.674 1.00 0.00 H new ATOM 497 N LYS A 36 -14.773 -4.249 10.279 1.00 0.00 N ATOM 498 CA LYS A 36 -16.001 -4.946 10.640 1.00 0.00 C ATOM 499 C LYS A 36 -16.643 -5.589 9.415 1.00 0.00 C ATOM 500 O LYS A 36 -17.034 -6.755 9.447 1.00 0.00 O ATOM 501 CB LYS A 36 -16.989 -3.978 11.297 1.00 0.00 C ATOM 502 CG LYS A 36 -16.587 -3.560 12.701 1.00 0.00 C ATOM 503 CD LYS A 36 -17.766 -2.992 13.473 1.00 0.00 C ATOM 504 CE LYS A 36 -18.526 -4.083 14.210 1.00 0.00 C ATOM 505 NZ LYS A 36 -19.589 -4.690 13.360 1.00 0.00 N ATOM 0 H LYS A 36 -14.700 -3.303 10.654 1.00 0.00 H new ATOM 0 HA LYS A 36 -15.746 -5.733 11.350 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.082 -3.088 10.674 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -17.973 -4.445 11.334 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -16.181 -4.419 13.235 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -15.794 -2.815 12.647 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -17.411 -2.249 14.187 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -18.439 -2.479 12.786 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -17.830 -4.858 14.530 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -18.975 -3.667 15.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -20.356 -5.046 13.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -19.966 -3.971 12.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -19.187 -5.477 12.811 1.00 0.00 H new ATOM 519 N ALA A 37 -16.745 -4.821 8.335 1.00 0.00 N ATOM 520 CA ALA A 37 -17.336 -5.317 7.098 1.00 0.00 C ATOM 521 C ALA A 37 -16.574 -6.530 6.574 1.00 0.00 C ATOM 522 O ALA A 37 -17.106 -7.319 5.794 1.00 0.00 O ATOM 523 CB ALA A 37 -17.365 -4.216 6.049 1.00 0.00 C ATOM 0 H ALA A 37 -16.426 -3.853 8.292 1.00 0.00 H new ATOM 0 HA ALA A 37 -18.359 -5.627 7.311 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -17.809 -4.600 5.131 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.959 -3.379 6.416 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -16.348 -3.879 5.847 1.00 0.00 H new ATOM 529 N HIS A 38 -15.326 -6.672 7.008 1.00 0.00 N ATOM 530 CA HIS A 38 -14.491 -7.790 6.582 1.00 0.00 C ATOM 531 C HIS A 38 -14.671 -8.986 7.511 1.00 0.00 C ATOM 532 O HIS A 38 -14.777 -10.127 7.059 1.00 0.00 O ATOM 533 CB HIS A 38 -13.021 -7.371 6.548 1.00 0.00 C ATOM 534 CG HIS A 38 -12.070 -8.528 6.502 1.00 0.00 C ATOM 535 ND1 HIS A 38 -11.558 -9.293 7.494 1.00 0.00 N flip ATOM 536 CD2 HIS A 38 -11.536 -9.017 5.328 1.00 0.00 C flip ATOM 537 CE1 HIS A 38 -10.732 -10.221 6.909 1.00 0.00 C flip ATOM 538 NE2 HIS A 38 -10.736 -10.033 5.602 1.00 0.00 N flip ATOM 0 H HIS A 38 -14.870 -6.027 7.654 1.00 0.00 H new ATOM 0 HA HIS A 38 -14.801 -8.082 5.579 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -12.852 -6.737 5.677 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.803 -6.767 7.429 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -11.750 -9.198 8.491 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -11.740 -8.631 4.340 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -10.171 -10.981 7.433 1.00 0.00 H new ATOM 546 N THR A 39 -14.702 -8.720 8.813 1.00 0.00 N ATOM 547 CA THR A 39 -14.867 -9.774 9.806 1.00 0.00 C ATOM 548 C THR A 39 -15.941 -10.767 9.380 1.00 0.00 C ATOM 549 O THR A 39 -15.846 -11.961 9.668 1.00 0.00 O ATOM 550 CB THR A 39 -15.236 -9.195 11.185 1.00 0.00 C ATOM 551 OG1 THR A 39 -14.256 -8.234 11.591 1.00 0.00 O ATOM 552 CG2 THR A 39 -15.333 -10.299 12.227 1.00 0.00 C ATOM 0 H THR A 39 -14.615 -7.782 9.205 1.00 0.00 H new ATOM 0 HA THR A 39 -13.909 -10.289 9.882 1.00 0.00 H new ATOM 0 HB THR A 39 -16.208 -8.709 11.102 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.499 -7.869 12.468 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.595 -9.866 13.193 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.101 -11.013 11.930 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.373 -10.810 12.306 1.00 0.00 H new ATOM 560 N ARG A 40 -16.963 -10.268 8.692 1.00 0.00 N ATOM 561 CA ARG A 40 -18.056 -11.113 8.228 1.00 0.00 C ATOM 562 C ARG A 40 -17.588 -12.045 7.114 1.00 0.00 C ATOM 563 O ARG A 40 -18.028 -13.191 7.021 1.00 0.00 O ATOM 564 CB ARG A 40 -19.219 -10.252 7.731 1.00 0.00 C ATOM 565 CG ARG A 40 -19.038 -9.744 6.310 1.00 0.00 C ATOM 566 CD ARG A 40 -20.161 -8.802 5.907 1.00 0.00 C ATOM 567 NE ARG A 40 -20.108 -7.541 6.641 1.00 0.00 N ATOM 568 CZ ARG A 40 -21.162 -6.756 6.830 1.00 0.00 C ATOM 569 NH1 ARG A 40 -22.345 -7.100 6.342 1.00 0.00 N ATOM 570 NH2 ARG A 40 -21.035 -5.623 7.510 1.00 0.00 N ATOM 0 H ARG A 40 -17.056 -9.283 8.444 1.00 0.00 H new ATOM 0 HA ARG A 40 -18.394 -11.720 9.068 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -20.139 -10.833 7.785 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -19.340 -9.400 8.400 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -18.081 -9.228 6.226 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -19.006 -10.589 5.622 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -20.100 -8.602 4.837 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -21.121 -9.285 6.086 1.00 0.00 H new ATOM 0 HE ARG A 40 -19.212 -7.247 7.030 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -22.448 -7.970 5.820 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -23.153 -6.495 6.489 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -20.127 -5.354 7.888 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -21.846 -5.021 7.654 1.00 0.00 H new ATOM 584 N THR A 41 -16.692 -11.544 6.269 1.00 0.00 N ATOM 585 CA THR A 41 -16.164 -12.331 5.161 1.00 0.00 C ATOM 586 C THR A 41 -15.927 -13.778 5.576 1.00 0.00 C ATOM 587 O THR A 41 -16.137 -14.702 4.790 1.00 0.00 O ATOM 588 CB THR A 41 -14.845 -11.738 4.630 1.00 0.00 C ATOM 589 OG1 THR A 41 -13.819 -11.860 5.621 1.00 0.00 O ATOM 590 CG2 THR A 41 -15.021 -10.275 4.253 1.00 0.00 C ATOM 0 H THR A 41 -16.317 -10.597 6.331 1.00 0.00 H new ATOM 0 HA THR A 41 -16.912 -12.302 4.369 1.00 0.00 H new ATOM 0 HB THR A 41 -14.556 -12.294 3.738 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.137 -11.485 6.469 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.076 -9.879 3.881 1.00 0.00 H new ATOM 0 HG22 THR A 41 -15.782 -10.188 3.477 1.00 0.00 H new ATOM 0 HG23 THR A 41 -15.332 -9.708 5.131 1.00 0.00 H new ATOM 598 N HIS A 42 -15.489 -13.968 6.817 1.00 0.00 N ATOM 599 CA HIS A 42 -15.225 -15.305 7.337 1.00 0.00 C ATOM 600 C HIS A 42 -16.528 -16.020 7.685 1.00 0.00 C ATOM 601 O HIS A 42 -16.802 -17.112 7.185 1.00 0.00 O ATOM 602 CB HIS A 42 -14.329 -15.226 8.573 1.00 0.00 C ATOM 603 CG HIS A 42 -13.007 -14.572 8.313 1.00 0.00 C ATOM 604 ND1 HIS A 42 -11.864 -15.280 8.009 1.00 0.00 N ATOM 605 CD2 HIS A 42 -12.650 -13.266 8.313 1.00 0.00 C ATOM 606 CE1 HIS A 42 -10.860 -14.438 7.832 1.00 0.00 C ATOM 607 NE2 HIS A 42 -11.311 -13.210 8.011 1.00 0.00 N ATOM 0 H HIS A 42 -15.310 -13.214 7.480 1.00 0.00 H new ATOM 0 HA HIS A 42 -14.714 -15.875 6.561 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -14.851 -14.674 9.355 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.158 -16.233 8.953 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -11.802 -16.295 7.933 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -13.297 -12.425 8.513 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -9.844 -14.709 7.583 1.00 0.00 H new ATOM 651 N LYS A 46 -20.900 -21.038 4.449 1.00 0.00 N ATOM 652 CA LYS A 46 -19.995 -22.160 4.668 1.00 0.00 C ATOM 653 C LYS A 46 -19.071 -21.891 5.852 1.00 0.00 C ATOM 654 O LYS A 46 -18.166 -21.059 5.787 1.00 0.00 O ATOM 655 CB LYS A 46 -19.166 -22.426 3.410 1.00 0.00 C ATOM 656 CG LYS A 46 -19.939 -23.133 2.310 1.00 0.00 C ATOM 657 CD LYS A 46 -19.385 -22.799 0.936 1.00 0.00 C ATOM 658 CE LYS A 46 -20.064 -23.616 -0.153 1.00 0.00 C ATOM 659 NZ LYS A 46 -21.418 -23.090 -0.478 1.00 0.00 N ATOM 0 HA LYS A 46 -20.596 -23.041 4.892 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -18.789 -21.478 3.026 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -18.298 -23.029 3.678 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -19.896 -24.211 2.469 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -20.989 -22.845 2.360 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -19.524 -21.737 0.735 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -18.312 -22.989 0.919 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -19.446 -23.608 -1.051 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -20.145 -24.654 0.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -21.847 -23.674 -1.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -22.016 -23.121 0.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -21.338 -22.108 -0.810 1.00 0.00 H new ATOM 673 N PRO A 47 -19.302 -22.610 6.960 1.00 0.00 N ATOM 674 CA PRO A 47 -18.499 -22.468 8.178 1.00 0.00 C ATOM 675 C PRO A 47 -17.083 -23.006 8.004 1.00 0.00 C ATOM 676 O PRO A 47 -16.148 -22.544 8.661 1.00 0.00 O ATOM 677 CB PRO A 47 -19.265 -23.301 9.207 1.00 0.00 C ATOM 678 CG PRO A 47 -20.015 -24.304 8.401 1.00 0.00 C ATOM 679 CD PRO A 47 -20.364 -23.619 7.108 1.00 0.00 C ATOM 0 HA PRO A 47 -18.373 -21.424 8.464 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -18.586 -23.785 9.909 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -19.941 -22.680 9.795 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -19.409 -25.192 8.221 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -20.913 -24.632 8.924 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -20.373 -24.319 6.272 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -21.352 -23.160 7.150 1.00 0.00 H new ATOM 687 N PHE A 48 -16.930 -23.983 7.118 1.00 0.00 N ATOM 688 CA PHE A 48 -15.627 -24.585 6.859 1.00 0.00 C ATOM 689 C PHE A 48 -15.013 -24.023 5.581 1.00 0.00 C ATOM 690 O PHE A 48 -15.721 -23.521 4.707 1.00 0.00 O ATOM 691 CB PHE A 48 -15.756 -26.105 6.751 1.00 0.00 C ATOM 692 CG PHE A 48 -16.066 -26.775 8.060 1.00 0.00 C ATOM 693 CD1 PHE A 48 -15.052 -27.090 8.949 1.00 0.00 C ATOM 694 CD2 PHE A 48 -17.372 -27.090 8.399 1.00 0.00 C ATOM 695 CE1 PHE A 48 -15.334 -27.705 10.154 1.00 0.00 C ATOM 696 CE2 PHE A 48 -17.660 -27.705 9.603 1.00 0.00 C ATOM 697 CZ PHE A 48 -16.639 -28.015 10.481 1.00 0.00 C ATOM 0 H PHE A 48 -17.693 -24.376 6.566 1.00 0.00 H new ATOM 0 HA PHE A 48 -14.970 -24.342 7.694 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -16.541 -26.345 6.034 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -14.827 -26.513 6.354 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -14.029 -26.852 8.698 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -18.174 -26.852 7.715 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -14.534 -27.943 10.839 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -18.682 -27.943 9.857 1.00 0.00 H new ATOM 0 HZ PHE A 48 -16.861 -28.499 11.421 1.00 0.00 H new ATOM 707 N SER A 49 -13.691 -24.111 5.477 1.00 0.00 N ATOM 708 CA SER A 49 -12.980 -23.608 4.308 1.00 0.00 C ATOM 709 C SER A 49 -11.590 -24.229 4.208 1.00 0.00 C ATOM 710 O SER A 49 -11.015 -24.658 5.210 1.00 0.00 O ATOM 711 CB SER A 49 -12.866 -22.084 4.370 1.00 0.00 C ATOM 712 OG SER A 49 -12.104 -21.675 5.493 1.00 0.00 O ATOM 0 H SER A 49 -13.090 -24.526 6.189 1.00 0.00 H new ATOM 0 HA SER A 49 -13.549 -23.887 3.421 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.401 -21.713 3.456 1.00 0.00 H new ATOM 0 HB3 SER A 49 -13.862 -21.643 4.422 1.00 0.00 H new ATOM 0 HG SER A 49 -12.044 -20.697 5.509 1.00 0.00 H new ATOM 718 N CYS A 50 -11.056 -24.275 2.992 1.00 0.00 N ATOM 719 CA CYS A 50 -9.734 -24.844 2.759 1.00 0.00 C ATOM 720 C CYS A 50 -8.641 -23.820 3.053 1.00 0.00 C ATOM 721 O CYS A 50 -8.625 -22.732 2.478 1.00 0.00 O ATOM 722 CB CYS A 50 -9.615 -25.334 1.314 1.00 0.00 C ATOM 723 SG CYS A 50 -8.310 -26.579 1.057 1.00 0.00 S ATOM 0 H CYS A 50 -11.518 -23.925 2.153 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.605 -25.690 3.434 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -10.571 -25.756 1.005 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -9.420 -24.479 0.667 1.00 0.00 H new ATOM 0 HG CYS A 50 -8.667 -27.392 0.107 1.00 0.00 H new ATOM 728 N SER A 51 -7.729 -24.178 3.951 1.00 0.00 N ATOM 729 CA SER A 51 -6.635 -23.289 4.324 1.00 0.00 C ATOM 730 C SER A 51 -5.443 -23.474 3.390 1.00 0.00 C ATOM 731 O SER A 51 -4.373 -22.906 3.612 1.00 0.00 O ATOM 732 CB SER A 51 -6.209 -23.549 5.771 1.00 0.00 C ATOM 733 OG SER A 51 -5.394 -22.498 6.260 1.00 0.00 O ATOM 0 H SER A 51 -7.726 -25.077 4.433 1.00 0.00 H new ATOM 0 HA SER A 51 -6.988 -22.261 4.236 1.00 0.00 H new ATOM 0 HB2 SER A 51 -7.093 -23.651 6.401 1.00 0.00 H new ATOM 0 HB3 SER A 51 -5.665 -24.492 5.829 1.00 0.00 H new ATOM 0 HG SER A 51 -4.717 -22.269 5.589 1.00 0.00 H new ATOM 739 N TRP A 52 -5.635 -24.272 2.346 1.00 0.00 N ATOM 740 CA TRP A 52 -4.577 -24.532 1.378 1.00 0.00 C ATOM 741 C TRP A 52 -4.139 -23.243 0.690 1.00 0.00 C ATOM 742 O TRP A 52 -4.882 -22.263 0.654 1.00 0.00 O ATOM 743 CB TRP A 52 -5.049 -25.545 0.334 1.00 0.00 C ATOM 744 CG TRP A 52 -3.941 -26.073 -0.526 1.00 0.00 C ATOM 745 CD1 TRP A 52 -3.565 -25.608 -1.754 1.00 0.00 C ATOM 746 CD2 TRP A 52 -3.069 -27.167 -0.223 1.00 0.00 C ATOM 747 NE1 TRP A 52 -2.511 -26.347 -2.232 1.00 0.00 N ATOM 748 CE2 TRP A 52 -2.187 -27.310 -1.313 1.00 0.00 C ATOM 749 CE3 TRP A 52 -2.946 -28.040 0.861 1.00 0.00 C ATOM 750 CZ2 TRP A 52 -1.198 -28.289 -1.346 1.00 0.00 C ATOM 751 CZ3 TRP A 52 -1.964 -29.012 0.827 1.00 0.00 C ATOM 752 CH2 TRP A 52 -1.100 -29.130 -0.270 1.00 0.00 C ATOM 0 H TRP A 52 -6.514 -24.750 2.148 1.00 0.00 H new ATOM 0 HA TRP A 52 -3.723 -24.945 1.915 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -5.534 -26.379 0.841 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -5.801 -25.077 -0.302 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -4.028 -24.781 -2.272 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -2.044 -26.202 -3.127 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -3.607 -27.957 1.711 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -0.531 -28.382 -2.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -1.861 -29.692 1.660 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -0.342 -29.899 -0.267 1.00 0.00 H new ATOM 763 N LYS A 53 -2.926 -23.251 0.146 1.00 0.00 N ATOM 764 CA LYS A 53 -2.390 -22.083 -0.542 1.00 0.00 C ATOM 765 C LYS A 53 -2.791 -22.086 -2.015 1.00 0.00 C ATOM 766 O LYS A 53 -2.542 -23.053 -2.733 1.00 0.00 O ATOM 767 CB LYS A 53 -0.864 -22.049 -0.419 1.00 0.00 C ATOM 768 CG LYS A 53 -0.285 -20.645 -0.424 1.00 0.00 C ATOM 769 CD LYS A 53 -0.598 -19.907 0.868 1.00 0.00 C ATOM 770 CE LYS A 53 0.304 -20.365 2.003 1.00 0.00 C ATOM 771 NZ LYS A 53 1.602 -19.634 2.010 1.00 0.00 N ATOM 0 H LYS A 53 -2.296 -24.053 0.169 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.807 -21.193 -0.072 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.571 -22.551 0.503 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.429 -22.616 -1.242 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.795 -20.696 -0.562 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.688 -20.087 -1.269 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -0.476 -18.835 0.715 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.640 -20.073 1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.204 -20.212 2.955 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.490 -21.435 1.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 2.188 -19.975 2.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.099 -19.800 1.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.426 -18.615 2.125 1.00 0.00 H new ATOM 785 N GLY A 54 -3.411 -20.997 -2.456 1.00 0.00 N ATOM 786 CA GLY A 54 -3.834 -20.894 -3.841 1.00 0.00 C ATOM 787 C GLY A 54 -5.202 -21.506 -4.075 1.00 0.00 C ATOM 788 O GLY A 54 -5.999 -20.983 -4.854 1.00 0.00 O ATOM 0 H GLY A 54 -3.628 -20.184 -1.880 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.853 -19.845 -4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -3.103 -21.390 -4.479 1.00 0.00 H new ATOM 792 N CYS A 55 -5.474 -22.618 -3.401 1.00 0.00 N ATOM 793 CA CYS A 55 -6.753 -23.303 -3.541 1.00 0.00 C ATOM 794 C CYS A 55 -7.902 -22.302 -3.611 1.00 0.00 C ATOM 795 O CYS A 55 -8.538 -22.145 -4.652 1.00 0.00 O ATOM 796 CB CYS A 55 -6.970 -24.265 -2.370 1.00 0.00 C ATOM 797 SG CYS A 55 -8.565 -25.144 -2.417 1.00 0.00 S ATOM 0 H CYS A 55 -4.826 -23.064 -2.752 1.00 0.00 H new ATOM 0 HA CYS A 55 -6.733 -23.871 -4.471 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -6.163 -24.998 -2.361 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -6.903 -23.706 -1.437 1.00 0.00 H new ATOM 0 HG CYS A 55 -8.742 -25.781 -1.298 1.00 0.00 H new ATOM 802 N GLU A 56 -8.161 -21.628 -2.494 1.00 0.00 N ATOM 803 CA GLU A 56 -9.234 -20.642 -2.430 1.00 0.00 C ATOM 804 C GLU A 56 -10.591 -21.300 -2.664 1.00 0.00 C ATOM 805 O GLU A 56 -11.444 -20.755 -3.366 1.00 0.00 O ATOM 806 CB GLU A 56 -9.005 -19.538 -3.464 1.00 0.00 C ATOM 807 CG GLU A 56 -9.638 -18.210 -3.085 1.00 0.00 C ATOM 808 CD GLU A 56 -9.888 -17.319 -4.287 1.00 0.00 C ATOM 809 OE1 GLU A 56 -8.921 -16.703 -4.782 1.00 0.00 O ATOM 810 OE2 GLU A 56 -11.053 -17.239 -4.733 1.00 0.00 O ATOM 0 H GLU A 56 -7.644 -21.747 -1.623 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.230 -20.202 -1.433 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.933 -19.395 -3.599 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.407 -19.862 -4.424 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.582 -18.395 -2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.989 -17.690 -2.381 1.00 0.00 H new ATOM 817 N ARG A 57 -10.784 -22.472 -2.070 1.00 0.00 N ATOM 818 CA ARG A 57 -12.037 -23.206 -2.215 1.00 0.00 C ATOM 819 C ARG A 57 -12.518 -23.730 -0.865 1.00 0.00 C ATOM 820 O ARG A 57 -11.911 -24.631 -0.287 1.00 0.00 O ATOM 821 CB ARG A 57 -11.862 -24.368 -3.193 1.00 0.00 C ATOM 822 CG ARG A 57 -11.412 -23.935 -4.579 1.00 0.00 C ATOM 823 CD ARG A 57 -12.595 -23.548 -5.453 1.00 0.00 C ATOM 824 NE ARG A 57 -12.197 -22.685 -6.562 1.00 0.00 N ATOM 825 CZ ARG A 57 -11.718 -23.143 -7.714 1.00 0.00 C ATOM 826 NH1 ARG A 57 -11.580 -24.447 -7.906 1.00 0.00 N ATOM 827 NH2 ARG A 57 -11.377 -22.295 -8.676 1.00 0.00 N ATOM 0 H ARG A 57 -10.090 -22.935 -1.484 1.00 0.00 H new ATOM 0 HA ARG A 57 -12.788 -22.521 -2.608 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -11.133 -25.068 -2.786 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -12.806 -24.905 -3.278 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.729 -23.090 -4.494 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -10.858 -24.745 -5.053 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -13.066 -24.449 -5.846 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -13.342 -23.037 -4.846 1.00 0.00 H new ATOM 0 HE ARG A 57 -12.292 -21.676 -6.446 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -11.842 -25.102 -7.169 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.212 -24.796 -8.791 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.482 -21.291 -8.532 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -11.009 -22.647 -9.560 1.00 0.00 H new ATOM 841 N ARG A 58 -13.611 -23.161 -0.370 1.00 0.00 N ATOM 842 CA ARG A 58 -14.173 -23.571 0.911 1.00 0.00 C ATOM 843 C ARG A 58 -15.367 -24.499 0.710 1.00 0.00 C ATOM 844 O ARG A 58 -15.758 -24.788 -0.421 1.00 0.00 O ATOM 845 CB ARG A 58 -14.598 -22.344 1.721 1.00 0.00 C ATOM 846 CG ARG A 58 -15.714 -21.541 1.072 1.00 0.00 C ATOM 847 CD ARG A 58 -15.627 -20.069 1.439 1.00 0.00 C ATOM 848 NE ARG A 58 -15.967 -19.833 2.840 1.00 0.00 N ATOM 849 CZ ARG A 58 -15.545 -18.781 3.531 1.00 0.00 C ATOM 850 NH1 ARG A 58 -14.771 -17.871 2.955 1.00 0.00 N ATOM 851 NH2 ARG A 58 -15.897 -18.635 4.803 1.00 0.00 N ATOM 0 H ARG A 58 -14.126 -22.414 -0.837 1.00 0.00 H new ATOM 0 HA ARG A 58 -13.403 -24.113 1.460 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -14.922 -22.667 2.710 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -13.733 -21.697 1.865 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -15.660 -21.651 -0.011 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -16.679 -21.939 1.385 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.618 -19.706 1.245 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.300 -19.496 0.801 1.00 0.00 H new ATOM 0 HE ARG A 58 -16.561 -20.514 3.313 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -14.498 -17.978 1.978 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -14.449 -17.064 3.489 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -16.492 -19.332 5.251 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -15.572 -17.826 5.333 1.00 0.00 H new ATOM 865 N PHE A 59 -15.942 -24.962 1.814 1.00 0.00 N ATOM 866 CA PHE A 59 -17.090 -25.860 1.760 1.00 0.00 C ATOM 867 C PHE A 59 -17.943 -25.731 3.019 1.00 0.00 C ATOM 868 O PHE A 59 -17.539 -25.092 3.991 1.00 0.00 O ATOM 869 CB PHE A 59 -16.627 -27.307 1.590 1.00 0.00 C ATOM 870 CG PHE A 59 -15.837 -27.540 0.333 1.00 0.00 C ATOM 871 CD1 PHE A 59 -14.465 -27.342 0.315 1.00 0.00 C ATOM 872 CD2 PHE A 59 -16.465 -27.958 -0.828 1.00 0.00 C ATOM 873 CE1 PHE A 59 -13.736 -27.555 -0.839 1.00 0.00 C ATOM 874 CE2 PHE A 59 -15.741 -28.172 -1.986 1.00 0.00 C ATOM 875 CZ PHE A 59 -14.375 -27.971 -1.991 1.00 0.00 C ATOM 0 H PHE A 59 -15.632 -24.730 2.758 1.00 0.00 H new ATOM 0 HA PHE A 59 -17.698 -25.578 0.900 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -16.019 -27.589 2.449 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -17.499 -27.961 1.588 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -13.960 -27.018 1.213 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -17.533 -28.119 -0.829 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -12.668 -27.396 -0.841 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -16.243 -28.496 -2.886 1.00 0.00 H new ATOM 0 HZ PHE A 59 -13.807 -28.139 -2.894 1.00 0.00 H new ATOM 885 N ALA A 60 -19.122 -26.343 2.994 1.00 0.00 N ATOM 886 CA ALA A 60 -20.029 -26.299 4.133 1.00 0.00 C ATOM 887 C ALA A 60 -19.866 -27.533 5.014 1.00 0.00 C ATOM 888 O ALA A 60 -19.716 -27.424 6.231 1.00 0.00 O ATOM 889 CB ALA A 60 -21.469 -26.175 3.657 1.00 0.00 C ATOM 0 H ALA A 60 -19.471 -26.875 2.197 1.00 0.00 H new ATOM 0 HA ALA A 60 -19.778 -25.423 4.731 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -22.136 -26.143 4.519 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -21.583 -25.260 3.076 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -21.722 -27.033 3.034 1.00 0.00 H new ATOM 895 N ARG A 61 -19.897 -28.707 4.392 1.00 0.00 N ATOM 896 CA ARG A 61 -19.754 -29.962 5.120 1.00 0.00 C ATOM 897 C ARG A 61 -18.283 -30.278 5.373 1.00 0.00 C ATOM 898 O ARG A 61 -17.404 -29.812 4.650 1.00 0.00 O ATOM 899 CB ARG A 61 -20.405 -31.105 4.339 1.00 0.00 C ATOM 900 CG ARG A 61 -21.880 -30.881 4.047 1.00 0.00 C ATOM 901 CD ARG A 61 -22.755 -31.372 5.189 1.00 0.00 C ATOM 902 NE ARG A 61 -24.163 -31.443 4.808 1.00 0.00 N ATOM 903 CZ ARG A 61 -24.979 -30.394 4.810 1.00 0.00 C ATOM 904 NH1 ARG A 61 -24.530 -29.200 5.171 1.00 0.00 N ATOM 905 NH2 ARG A 61 -26.248 -30.539 4.450 1.00 0.00 N ATOM 0 H ARG A 61 -20.020 -28.815 3.385 1.00 0.00 H new ATOM 0 HA ARG A 61 -20.256 -29.856 6.082 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -19.873 -31.239 3.397 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -20.292 -32.030 4.904 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -22.061 -29.819 3.879 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -22.153 -31.401 3.129 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -22.416 -32.358 5.508 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -22.644 -30.705 6.044 1.00 0.00 H new ATOM 0 HE ARG A 61 -24.541 -32.347 4.525 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -23.555 -29.084 5.448 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -25.159 -28.397 5.171 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -26.598 -31.456 4.172 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -26.874 -29.734 4.452 1.00 0.00 H new ATOM 919 N SER A 62 -18.025 -31.073 6.407 1.00 0.00 N ATOM 920 CA SER A 62 -16.661 -31.449 6.761 1.00 0.00 C ATOM 921 C SER A 62 -16.170 -32.598 5.886 1.00 0.00 C ATOM 922 O SER A 62 -15.021 -32.611 5.445 1.00 0.00 O ATOM 923 CB SER A 62 -16.584 -31.846 8.236 1.00 0.00 C ATOM 924 OG SER A 62 -17.457 -32.925 8.519 1.00 0.00 O ATOM 0 H SER A 62 -18.743 -31.469 7.014 1.00 0.00 H new ATOM 0 HA SER A 62 -16.017 -30.586 6.592 1.00 0.00 H new ATOM 0 HB2 SER A 62 -15.561 -32.126 8.488 1.00 0.00 H new ATOM 0 HB3 SER A 62 -16.843 -30.991 8.860 1.00 0.00 H new ATOM 0 HG SER A 62 -17.388 -33.161 9.468 1.00 0.00 H new ATOM 930 N ASP A 63 -17.049 -33.563 5.640 1.00 0.00 N ATOM 931 CA ASP A 63 -16.708 -34.718 4.818 1.00 0.00 C ATOM 932 C ASP A 63 -16.138 -34.277 3.473 1.00 0.00 C ATOM 933 O ASP A 63 -15.028 -34.660 3.105 1.00 0.00 O ATOM 934 CB ASP A 63 -17.940 -35.599 4.600 1.00 0.00 C ATOM 935 CG ASP A 63 -18.344 -36.349 5.854 1.00 0.00 C ATOM 936 OD1 ASP A 63 -19.127 -35.792 6.652 1.00 0.00 O ATOM 937 OD2 ASP A 63 -17.876 -37.492 6.037 1.00 0.00 O ATOM 0 H ASP A 63 -18.004 -33.568 5.998 1.00 0.00 H new ATOM 0 HA ASP A 63 -15.948 -35.295 5.344 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -18.772 -34.979 4.267 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -17.736 -36.314 3.803 1.00 0.00 H new ATOM 942 N GLU A 64 -16.906 -33.474 2.745 1.00 0.00 N ATOM 943 CA GLU A 64 -16.478 -32.984 1.440 1.00 0.00 C ATOM 944 C GLU A 64 -15.063 -32.415 1.510 1.00 0.00 C ATOM 945 O GLU A 64 -14.243 -32.646 0.620 1.00 0.00 O ATOM 946 CB GLU A 64 -17.444 -31.913 0.929 1.00 0.00 C ATOM 947 CG GLU A 64 -18.621 -32.478 0.152 1.00 0.00 C ATOM 948 CD GLU A 64 -19.196 -31.486 -0.841 1.00 0.00 C ATOM 949 OE1 GLU A 64 -19.469 -30.336 -0.437 1.00 0.00 O ATOM 950 OE2 GLU A 64 -19.372 -31.858 -2.019 1.00 0.00 O ATOM 0 H GLU A 64 -17.828 -33.149 3.036 1.00 0.00 H new ATOM 0 HA GLU A 64 -16.480 -33.825 0.747 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -17.820 -31.340 1.777 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -16.898 -31.218 0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -18.304 -33.375 -0.379 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -19.401 -32.780 0.851 1.00 0.00 H new ATOM 957 N LEU A 65 -14.783 -31.670 2.573 1.00 0.00 N ATOM 958 CA LEU A 65 -13.469 -31.067 2.761 1.00 0.00 C ATOM 959 C LEU A 65 -12.414 -32.133 3.036 1.00 0.00 C ATOM 960 O LEU A 65 -11.300 -32.067 2.518 1.00 0.00 O ATOM 961 CB LEU A 65 -13.507 -30.062 3.914 1.00 0.00 C ATOM 962 CG LEU A 65 -12.230 -29.251 4.141 1.00 0.00 C ATOM 963 CD1 LEU A 65 -11.922 -28.389 2.927 1.00 0.00 C ATOM 964 CD2 LEU A 65 -12.359 -28.391 5.389 1.00 0.00 C ATOM 0 H LEU A 65 -15.449 -31.469 3.319 1.00 0.00 H new ATOM 0 HA LEU A 65 -13.201 -30.546 1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -14.328 -29.367 3.737 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -13.739 -30.602 4.832 1.00 0.00 H new ATOM 0 HG LEU A 65 -11.403 -29.946 4.287 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.010 -27.819 3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -11.785 -29.026 2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -12.750 -27.702 2.749 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -11.441 -27.821 5.535 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -13.198 -27.705 5.273 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.531 -29.030 6.255 1.00 0.00 H new ATOM 976 N SER A 66 -12.775 -33.117 3.854 1.00 0.00 N ATOM 977 CA SER A 66 -11.859 -34.199 4.199 1.00 0.00 C ATOM 978 C SER A 66 -11.339 -34.892 2.942 1.00 0.00 C ATOM 979 O SER A 66 -10.165 -35.252 2.859 1.00 0.00 O ATOM 980 CB SER A 66 -12.555 -35.215 5.105 1.00 0.00 C ATOM 981 OG SER A 66 -12.529 -34.795 6.458 1.00 0.00 O ATOM 0 H SER A 66 -13.694 -33.187 4.290 1.00 0.00 H new ATOM 0 HA SER A 66 -11.011 -33.769 4.732 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.588 -35.347 4.782 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.065 -36.184 5.013 1.00 0.00 H new ATOM 0 HG SER A 66 -12.982 -35.461 7.016 1.00 0.00 H new ATOM 987 N ARG A 67 -12.224 -35.077 1.967 1.00 0.00 N ATOM 988 CA ARG A 67 -11.856 -35.728 0.716 1.00 0.00 C ATOM 989 C ARG A 67 -11.228 -34.729 -0.253 1.00 0.00 C ATOM 990 O ARG A 67 -10.434 -35.102 -1.116 1.00 0.00 O ATOM 991 CB ARG A 67 -13.084 -36.375 0.073 1.00 0.00 C ATOM 992 CG ARG A 67 -12.749 -37.543 -0.839 1.00 0.00 C ATOM 993 CD ARG A 67 -13.785 -37.705 -1.940 1.00 0.00 C ATOM 994 NE ARG A 67 -14.941 -38.480 -1.495 1.00 0.00 N ATOM 995 CZ ARG A 67 -16.133 -38.420 -2.076 1.00 0.00 C ATOM 996 NH1 ARG A 67 -16.328 -37.626 -3.120 1.00 0.00 N ATOM 997 NH2 ARG A 67 -17.136 -39.155 -1.613 1.00 0.00 N ATOM 0 H ARG A 67 -13.200 -34.785 2.020 1.00 0.00 H new ATOM 0 HA ARG A 67 -11.121 -36.501 0.940 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -13.756 -36.720 0.859 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -13.624 -35.621 -0.500 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.766 -37.389 -1.283 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -12.694 -38.460 -0.252 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -14.115 -36.722 -2.275 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -13.328 -38.197 -2.798 1.00 0.00 H new ATOM 0 HE ARG A 67 -14.826 -39.101 -0.694 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -15.560 -37.058 -3.479 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -17.245 -37.583 -3.564 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -16.992 -39.767 -0.810 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -18.052 -39.108 -2.060 1.00 0.00 H new ATOM 1011 N HIS A 68 -11.591 -33.459 -0.102 1.00 0.00 N ATOM 1012 CA HIS A 68 -11.062 -32.407 -0.964 1.00 0.00 C ATOM 1013 C HIS A 68 -9.717 -31.907 -0.448 1.00 0.00 C ATOM 1014 O HIS A 68 -9.019 -31.158 -1.132 1.00 0.00 O ATOM 1015 CB HIS A 68 -12.053 -31.245 -1.050 1.00 0.00 C ATOM 1016 CG HIS A 68 -11.417 -29.942 -1.422 1.00 0.00 C ATOM 1017 ND1 HIS A 68 -11.649 -29.307 -2.625 1.00 0.00 N ATOM 1018 CD2 HIS A 68 -10.551 -29.152 -0.744 1.00 0.00 C ATOM 1019 CE1 HIS A 68 -10.953 -28.185 -2.670 1.00 0.00 C ATOM 1020 NE2 HIS A 68 -10.279 -28.067 -1.540 1.00 0.00 N ATOM 0 H HIS A 68 -12.248 -33.134 0.607 1.00 0.00 H new ATOM 0 HA HIS A 68 -10.916 -32.825 -1.960 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -12.822 -31.487 -1.784 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -12.554 -31.134 -0.088 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -12.262 -29.650 -3.364 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -10.149 -29.341 0.240 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -10.938 -27.484 -3.491 1.00 0.00 H new ATOM 1028 N ARG A 69 -9.360 -32.325 0.762 1.00 0.00 N ATOM 1029 CA ARG A 69 -8.099 -31.917 1.370 1.00 0.00 C ATOM 1030 C ARG A 69 -7.007 -32.948 1.100 1.00 0.00 C ATOM 1031 O ARG A 69 -5.901 -32.602 0.685 1.00 0.00 O ATOM 1032 CB ARG A 69 -8.274 -31.726 2.878 1.00 0.00 C ATOM 1033 CG ARG A 69 -8.662 -30.311 3.272 1.00 0.00 C ATOM 1034 CD ARG A 69 -7.438 -29.425 3.446 1.00 0.00 C ATOM 1035 NE ARG A 69 -6.845 -29.567 4.773 1.00 0.00 N ATOM 1036 CZ ARG A 69 -7.314 -28.958 5.857 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -8.376 -28.171 5.771 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -6.718 -29.137 7.029 1.00 0.00 N ATOM 0 H ARG A 69 -9.926 -32.946 1.341 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.798 -30.969 0.923 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -9.038 -32.416 3.237 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.343 -31.991 3.380 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -9.315 -29.886 2.509 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -9.231 -30.334 4.202 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.696 -29.678 2.688 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -7.718 -28.384 3.283 1.00 0.00 H new ATOM 0 HE ARG A 69 -6.026 -30.167 4.873 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.836 -28.031 4.871 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.734 -27.705 6.605 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.900 -29.742 7.098 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -7.078 -28.669 7.861 1.00 0.00 H new ATOM 1052 N ARG A 70 -7.325 -34.217 1.338 1.00 0.00 N ATOM 1053 CA ARG A 70 -6.372 -35.297 1.122 1.00 0.00 C ATOM 1054 C ARG A 70 -5.999 -35.408 -0.354 1.00 0.00 C ATOM 1055 O ARG A 70 -4.908 -35.863 -0.699 1.00 0.00 O ATOM 1056 CB ARG A 70 -6.952 -36.625 1.613 1.00 0.00 C ATOM 1057 CG ARG A 70 -7.951 -37.246 0.650 1.00 0.00 C ATOM 1058 CD ARG A 70 -8.360 -38.642 1.095 1.00 0.00 C ATOM 1059 NE ARG A 70 -8.756 -39.481 -0.032 1.00 0.00 N ATOM 1060 CZ ARG A 70 -7.891 -40.113 -0.817 1.00 0.00 C ATOM 1061 NH1 ARG A 70 -6.587 -40.001 -0.599 1.00 0.00 N ATOM 1062 NH2 ARG A 70 -8.328 -40.859 -1.824 1.00 0.00 N ATOM 0 H ARG A 70 -8.236 -34.521 1.681 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.470 -35.069 1.691 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.136 -37.328 1.781 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.438 -36.466 2.575 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.835 -36.611 0.581 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -7.515 -37.294 -0.348 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -7.530 -39.112 1.623 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.187 -38.570 1.801 1.00 0.00 H new ATOM 0 HE ARG A 70 -9.751 -39.588 -0.227 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.246 -39.428 0.173 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.925 -40.488 -1.204 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -9.329 -40.948 -1.996 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.662 -41.344 -2.426 1.00 0.00 H new ATOM 1076 N THR A 71 -6.914 -34.987 -1.222 1.00 0.00 N ATOM 1077 CA THR A 71 -6.684 -35.040 -2.661 1.00 0.00 C ATOM 1078 C THR A 71 -5.576 -34.079 -3.075 1.00 0.00 C ATOM 1079 O THR A 71 -4.791 -34.374 -3.977 1.00 0.00 O ATOM 1080 CB THR A 71 -7.964 -34.700 -3.447 1.00 0.00 C ATOM 1081 OG1 THR A 71 -7.747 -34.906 -4.848 1.00 0.00 O ATOM 1082 CG2 THR A 71 -8.384 -33.260 -3.200 1.00 0.00 C ATOM 0 H THR A 71 -7.821 -34.606 -0.954 1.00 0.00 H new ATOM 0 HA THR A 71 -6.383 -36.061 -2.896 1.00 0.00 H new ATOM 0 HB THR A 71 -8.762 -35.358 -3.102 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.566 -34.689 -5.341 1.00 0.00 H new ATOM 0 HG21 THR A 71 -9.290 -33.043 -3.766 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.576 -33.114 -2.137 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.587 -32.589 -3.520 1.00 0.00 H new ATOM 1090 N HIS A 72 -5.517 -32.929 -2.412 1.00 0.00 N ATOM 1091 CA HIS A 72 -4.502 -31.925 -2.711 1.00 0.00 C ATOM 1092 C HIS A 72 -3.126 -32.567 -2.849 1.00 0.00 C ATOM 1093 O HIS A 72 -2.470 -32.436 -3.882 1.00 0.00 O ATOM 1094 CB HIS A 72 -4.473 -30.858 -1.617 1.00 0.00 C ATOM 1095 CG HIS A 72 -5.438 -29.735 -1.848 1.00 0.00 C ATOM 1096 ND1 HIS A 72 -5.442 -28.970 -2.996 1.00 0.00 N ATOM 1097 CD2 HIS A 72 -6.435 -29.251 -1.072 1.00 0.00 C ATOM 1098 CE1 HIS A 72 -6.399 -28.063 -2.914 1.00 0.00 C ATOM 1099 NE2 HIS A 72 -7.016 -28.212 -1.757 1.00 0.00 N ATOM 0 H HIS A 72 -6.160 -32.669 -1.664 1.00 0.00 H new ATOM 0 HA HIS A 72 -4.760 -31.455 -3.660 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -4.696 -31.326 -0.658 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.465 -30.450 -1.545 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -4.806 -29.086 -3.785 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -6.721 -29.614 -0.096 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -6.636 -27.325 -3.666 1.00 0.00 H new