USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=25 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 -131:sc= -0.216 USER MOD Set 1.2: A 55 CYS SG : rot 127:sc= -0.985 USER MOD Set 1.3: A 68 HIS : no HE2:sc= -5.08! C(o=-6.4!,f=-6.7!) USER MOD Set 1.4: A 72 HIS : no HE2:sc= -0.107 K(o=-6.4,f=-7.9) USER MOD Set 2.1: A 20 CYS SG : rot -31:sc= 0.198 USER MOD Set 2.2: A 25 CYS SG : rot -153:sc= -1.36 USER MOD Set 2.3: A 38 HIS :FLIP no HE2:sc= -1.27 F(o=-3.8!,f=-3) USER MOD Set 2.4: A 42 HIS : no HE2:sc= -0.532 K(o=-3,f=-4.5) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc= -6.14! C(o=-6.1!,f=-6.8!) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 HIS :FLIP no HE2:sc= -2.65! C(o=-3.5!,f=-2.7!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 170:sc= -0.614 USER MOD Single : A 29 TYR OH : rot 180:sc=-0.00327 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0809 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0236 USER MOD Single : A 34 HIS :FLIP no HD1:sc= -3.29 F(o=-3.9!,f=-3.3) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 60:sc= 0.583 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 157:sc= -0.0863 (180deg=-0.47) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.052) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 83:sc= 1.13 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N ARG A 16 -2.030 1.112 10.483 1.00 0.00 N ATOM 194 CA ARG A 16 -2.892 0.001 10.868 1.00 0.00 C ATOM 195 C ARG A 16 -3.605 0.298 12.184 1.00 0.00 C ATOM 196 O ARG A 16 -3.004 0.229 13.255 1.00 0.00 O ATOM 197 CB ARG A 16 -2.077 -1.287 10.995 1.00 0.00 C ATOM 198 CG ARG A 16 -0.824 -1.133 11.842 1.00 0.00 C ATOM 199 CD ARG A 16 0.186 -2.231 11.547 1.00 0.00 C ATOM 200 NE ARG A 16 -0.376 -3.562 11.757 1.00 0.00 N ATOM 201 CZ ARG A 16 0.083 -4.656 11.159 1.00 0.00 C ATOM 202 NH1 ARG A 16 1.105 -4.577 10.319 1.00 0.00 N ATOM 203 NH2 ARG A 16 -0.482 -5.832 11.402 1.00 0.00 N ATOM 0 HA ARG A 16 -3.643 -0.130 10.089 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.706 -2.064 11.430 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -1.793 -1.627 9.999 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -0.372 -0.160 11.651 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.092 -1.158 12.898 1.00 0.00 H new ATOM 0 HD2 ARG A 16 0.529 -2.141 10.516 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.059 -2.101 12.186 1.00 0.00 H new ATOM 0 HE ARG A 16 -1.164 -3.657 12.398 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.541 -3.675 10.130 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.455 -5.419 9.861 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -1.269 -5.896 12.048 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -0.129 -6.672 10.943 1.00 0.00 H new ATOM 217 N SER A 17 -4.890 0.626 12.094 1.00 0.00 N ATOM 218 CA SER A 17 -5.684 0.937 13.277 1.00 0.00 C ATOM 219 C SER A 17 -6.493 -0.277 13.723 1.00 0.00 C ATOM 220 O SER A 17 -6.152 -0.941 14.702 1.00 0.00 O ATOM 221 CB SER A 17 -6.620 2.113 12.995 1.00 0.00 C ATOM 222 OG SER A 17 -5.945 3.350 13.141 1.00 0.00 O ATOM 0 H SER A 17 -5.403 0.683 11.214 1.00 0.00 H new ATOM 0 HA SER A 17 -5.001 1.211 14.081 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.018 2.030 11.984 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.470 2.077 13.676 1.00 0.00 H new ATOM 0 HG SER A 17 -6.565 4.085 12.954 1.00 0.00 H new ATOM 228 N HIS A 18 -7.570 -0.562 12.997 1.00 0.00 N ATOM 229 CA HIS A 18 -8.429 -1.697 13.314 1.00 0.00 C ATOM 230 C HIS A 18 -7.756 -3.011 12.934 1.00 0.00 C ATOM 231 O HIS A 18 -7.726 -3.387 11.761 1.00 0.00 O ATOM 232 CB HIS A 18 -9.769 -1.568 12.591 1.00 0.00 C ATOM 233 CG HIS A 18 -10.743 -0.668 13.289 1.00 0.00 C ATOM 234 ND1 HIS A 18 -12.028 -1.054 13.608 1.00 0.00 N ATOM 235 CD2 HIS A 18 -10.613 0.604 13.732 1.00 0.00 C ATOM 236 CE1 HIS A 18 -12.647 -0.057 14.216 1.00 0.00 C ATOM 237 NE2 HIS A 18 -11.810 0.961 14.303 1.00 0.00 N ATOM 0 H HIS A 18 -7.868 -0.022 12.185 1.00 0.00 H new ATOM 0 HA HIS A 18 -8.605 -1.698 14.390 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -9.594 -1.189 11.584 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.213 -2.558 12.486 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -9.732 1.223 13.652 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -13.664 -0.072 14.580 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -12.019 1.866 14.726 1.00 0.00 H new ATOM 245 N ILE A 19 -7.218 -3.706 13.930 1.00 0.00 N ATOM 246 CA ILE A 19 -6.546 -4.979 13.699 1.00 0.00 C ATOM 247 C ILE A 19 -7.455 -6.152 14.048 1.00 0.00 C ATOM 248 O ILE A 19 -7.790 -6.366 15.213 1.00 0.00 O ATOM 249 CB ILE A 19 -5.248 -5.087 14.519 1.00 0.00 C ATOM 250 CG1 ILE A 19 -4.653 -3.699 14.761 1.00 0.00 C ATOM 251 CG2 ILE A 19 -4.244 -5.982 13.807 1.00 0.00 C ATOM 252 CD1 ILE A 19 -4.147 -3.031 13.502 1.00 0.00 C ATOM 0 H ILE A 19 -7.234 -3.409 14.906 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.299 -5.018 12.638 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.484 -5.534 15.485 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.410 -3.063 15.221 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.832 -3.784 15.473 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.331 -6.048 14.399 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.669 -6.978 13.682 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.012 -5.562 12.829 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.739 -2.051 13.749 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.367 -3.646 13.052 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.969 -2.914 12.796 1.00 0.00 H new ATOM 264 N CYS A 20 -7.850 -6.911 13.031 1.00 0.00 N ATOM 265 CA CYS A 20 -8.719 -8.064 13.229 1.00 0.00 C ATOM 266 C CYS A 20 -8.280 -8.873 14.446 1.00 0.00 C ATOM 267 O CYS A 20 -9.108 -9.440 15.159 1.00 0.00 O ATOM 268 CB CYS A 20 -8.715 -8.952 11.984 1.00 0.00 C ATOM 269 SG CYS A 20 -10.109 -10.122 11.900 1.00 0.00 S ATOM 0 H CYS A 20 -7.581 -6.748 12.061 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.731 -7.699 13.403 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.734 -8.317 11.098 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.781 -9.513 11.954 1.00 0.00 H new ATOM 0 HG CYS A 20 -10.453 -10.474 13.103 1.00 0.00 H new ATOM 274 N SER A 21 -6.972 -8.922 14.677 1.00 0.00 N ATOM 275 CA SER A 21 -6.422 -9.664 15.805 1.00 0.00 C ATOM 276 C SER A 21 -6.883 -11.119 15.776 1.00 0.00 C ATOM 277 O SER A 21 -7.091 -11.738 16.820 1.00 0.00 O ATOM 278 CB SER A 21 -6.840 -9.012 17.125 1.00 0.00 C ATOM 279 OG SER A 21 -5.945 -7.975 17.486 1.00 0.00 O ATOM 0 H SER A 21 -6.273 -8.456 14.098 1.00 0.00 H new ATOM 0 HA SER A 21 -5.335 -9.643 15.725 1.00 0.00 H new ATOM 0 HB2 SER A 21 -7.849 -8.610 17.033 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.867 -9.764 17.913 1.00 0.00 H new ATOM 0 HG SER A 21 -6.234 -7.573 18.332 1.00 0.00 H new ATOM 285 N HIS A 22 -7.042 -11.658 14.572 1.00 0.00 N ATOM 286 CA HIS A 22 -7.478 -13.040 14.404 1.00 0.00 C ATOM 287 C HIS A 22 -6.327 -13.919 13.924 1.00 0.00 C ATOM 288 O HIS A 22 -5.505 -13.513 13.102 1.00 0.00 O ATOM 289 CB HIS A 22 -8.639 -13.114 13.412 1.00 0.00 C ATOM 290 CG HIS A 22 -9.150 -14.504 13.190 1.00 0.00 C ATOM 291 ND1 HIS A 22 -8.650 -15.523 12.454 1.00 0.00 N flip ATOM 292 CD2 HIS A 22 -10.312 -14.979 13.761 1.00 0.00 C flip ATOM 293 CE1 HIS A 22 -9.510 -16.585 12.592 1.00 0.00 C flip ATOM 294 NE2 HIS A 22 -10.504 -16.231 13.386 1.00 0.00 N flip ATOM 0 H HIS A 22 -6.876 -11.159 13.698 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.814 -13.409 15.373 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -9.456 -12.489 13.774 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -8.318 -12.697 12.458 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -7.794 -15.506 11.900 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.963 -14.416 14.413 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -9.392 -17.552 12.127 1.00 0.00 H new ATOM 302 N PRO A 23 -6.264 -15.151 14.449 1.00 0.00 N ATOM 303 CA PRO A 23 -5.218 -16.113 14.089 1.00 0.00 C ATOM 304 C PRO A 23 -5.366 -16.623 12.659 1.00 0.00 C ATOM 305 O PRO A 23 -6.352 -17.275 12.323 1.00 0.00 O ATOM 306 CB PRO A 23 -5.425 -17.254 15.088 1.00 0.00 C ATOM 307 CG PRO A 23 -6.861 -17.165 15.472 1.00 0.00 C ATOM 308 CD PRO A 23 -7.209 -15.702 15.435 1.00 0.00 C ATOM 0 HA PRO A 23 -4.224 -15.668 14.130 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -5.194 -18.220 14.639 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.775 -17.143 15.956 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -7.485 -17.732 14.782 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -7.026 -17.580 16.466 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -8.244 -15.543 15.132 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -7.087 -15.235 16.412 1.00 0.00 H new ATOM 316 N GLY A 24 -4.377 -16.321 11.822 1.00 0.00 N ATOM 317 CA GLY A 24 -4.418 -16.756 10.439 1.00 0.00 C ATOM 318 C GLY A 24 -4.780 -15.634 9.488 1.00 0.00 C ATOM 319 O GLY A 24 -4.139 -15.459 8.450 1.00 0.00 O ATOM 0 H GLY A 24 -3.549 -15.783 12.078 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.446 -17.164 10.161 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.144 -17.563 10.337 1.00 0.00 H new ATOM 323 N CYS A 25 -5.810 -14.872 9.838 1.00 0.00 N ATOM 324 CA CYS A 25 -6.259 -13.761 9.007 1.00 0.00 C ATOM 325 C CYS A 25 -5.192 -12.671 8.935 1.00 0.00 C ATOM 326 O CYS A 25 -4.698 -12.342 7.858 1.00 0.00 O ATOM 327 CB CYS A 25 -7.562 -13.179 9.557 1.00 0.00 C ATOM 328 SG CYS A 25 -7.875 -11.454 9.060 1.00 0.00 S ATOM 0 H CYS A 25 -6.351 -15.004 10.693 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.435 -14.140 8.000 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.394 -13.799 9.222 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -7.541 -13.234 10.645 1.00 0.00 H new ATOM 0 HG CYS A 25 -8.614 -10.871 9.957 1.00 0.00 H new ATOM 333 N GLY A 26 -4.843 -12.115 10.091 1.00 0.00 N ATOM 334 CA GLY A 26 -3.838 -11.069 10.137 1.00 0.00 C ATOM 335 C GLY A 26 -4.112 -9.958 9.144 1.00 0.00 C ATOM 336 O GLY A 26 -3.299 -9.691 8.257 1.00 0.00 O ATOM 0 H GLY A 26 -5.238 -12.370 10.996 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.799 -10.651 11.143 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.858 -11.501 9.933 1.00 0.00 H new ATOM 340 N LYS A 27 -5.261 -9.307 9.288 1.00 0.00 N ATOM 341 CA LYS A 27 -5.643 -8.219 8.396 1.00 0.00 C ATOM 342 C LYS A 27 -5.948 -6.950 9.186 1.00 0.00 C ATOM 343 O LYS A 27 -6.191 -7.000 10.392 1.00 0.00 O ATOM 344 CB LYS A 27 -6.862 -8.619 7.561 1.00 0.00 C ATOM 345 CG LYS A 27 -6.884 -7.991 6.178 1.00 0.00 C ATOM 346 CD LYS A 27 -6.013 -8.764 5.202 1.00 0.00 C ATOM 347 CE LYS A 27 -6.529 -8.640 3.776 1.00 0.00 C ATOM 348 NZ LYS A 27 -6.051 -9.756 2.914 1.00 0.00 N ATOM 0 H LYS A 27 -5.945 -9.515 10.016 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.805 -8.018 7.729 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.882 -9.704 7.459 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.768 -8.333 8.095 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.909 -7.960 5.807 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.536 -6.960 6.240 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.989 -8.393 5.253 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.986 -9.815 5.490 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.619 -8.629 3.784 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.203 -7.690 3.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.424 -9.635 1.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.011 -9.752 2.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.383 -10.662 3.303 1.00 0.00 H new ATOM 362 N THR A 28 -5.936 -5.813 8.497 1.00 0.00 N ATOM 363 CA THR A 28 -6.212 -4.531 9.134 1.00 0.00 C ATOM 364 C THR A 28 -6.876 -3.564 8.160 1.00 0.00 C ATOM 365 O THR A 28 -6.775 -3.727 6.944 1.00 0.00 O ATOM 366 CB THR A 28 -4.925 -3.887 9.682 1.00 0.00 C ATOM 367 OG1 THR A 28 -4.367 -4.707 10.715 1.00 0.00 O ATOM 368 CG2 THR A 28 -5.205 -2.496 10.228 1.00 0.00 C ATOM 0 H THR A 28 -5.738 -5.754 7.498 1.00 0.00 H new ATOM 0 HA THR A 28 -6.891 -4.730 9.963 1.00 0.00 H new ATOM 0 HB THR A 28 -4.212 -3.801 8.862 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.473 -4.379 10.945 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.281 -2.062 10.609 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.601 -1.865 9.432 1.00 0.00 H new ATOM 0 HG23 THR A 28 -5.935 -2.562 11.035 1.00 0.00 H new ATOM 376 N TYR A 29 -7.554 -2.558 8.701 1.00 0.00 N ATOM 377 CA TYR A 29 -8.235 -1.567 7.880 1.00 0.00 C ATOM 378 C TYR A 29 -8.308 -0.221 8.597 1.00 0.00 C ATOM 379 O TYR A 29 -9.092 -0.042 9.527 1.00 0.00 O ATOM 380 CB TYR A 29 -9.645 -2.046 7.529 1.00 0.00 C ATOM 381 CG TYR A 29 -9.666 -3.314 6.705 1.00 0.00 C ATOM 382 CD1 TYR A 29 -9.631 -4.562 7.317 1.00 0.00 C ATOM 383 CD2 TYR A 29 -9.720 -3.265 5.318 1.00 0.00 C ATOM 384 CE1 TYR A 29 -9.650 -5.723 6.569 1.00 0.00 C ATOM 385 CE2 TYR A 29 -9.740 -4.421 4.563 1.00 0.00 C ATOM 386 CZ TYR A 29 -9.704 -5.648 5.192 1.00 0.00 C ATOM 387 OH TYR A 29 -9.722 -6.802 4.443 1.00 0.00 O ATOM 0 H TYR A 29 -7.646 -2.408 9.706 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.662 -1.439 6.962 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.203 -2.212 8.450 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -10.162 -1.258 6.981 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.588 -4.625 8.394 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -9.747 -2.306 4.821 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.623 -6.685 7.059 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.784 -4.365 3.485 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.762 -6.573 3.491 1.00 0.00 H new ATOM 397 N PHE A 30 -7.482 0.722 8.154 1.00 0.00 N ATOM 398 CA PHE A 30 -7.451 2.052 8.752 1.00 0.00 C ATOM 399 C PHE A 30 -8.832 2.452 9.260 1.00 0.00 C ATOM 400 O PHE A 30 -9.005 2.776 10.435 1.00 0.00 O ATOM 401 CB PHE A 30 -6.950 3.079 7.736 1.00 0.00 C ATOM 402 CG PHE A 30 -5.987 2.511 6.732 1.00 0.00 C ATOM 403 CD1 PHE A 30 -6.450 1.826 5.620 1.00 0.00 C ATOM 404 CD2 PHE A 30 -4.620 2.661 6.901 1.00 0.00 C ATOM 405 CE1 PHE A 30 -5.567 1.301 4.696 1.00 0.00 C ATOM 406 CE2 PHE A 30 -3.732 2.139 5.980 1.00 0.00 C ATOM 407 CZ PHE A 30 -4.206 1.459 4.875 1.00 0.00 C ATOM 0 H PHE A 30 -6.826 0.590 7.384 1.00 0.00 H new ATOM 0 HA PHE A 30 -6.766 2.027 9.599 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.805 3.502 7.208 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -6.466 3.898 8.268 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.513 1.701 5.474 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.244 3.192 7.763 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.940 0.767 3.834 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.669 2.262 6.124 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.514 1.052 4.152 1.00 0.00 H new ATOM 417 N LYS A 31 -9.815 2.430 8.365 1.00 0.00 N ATOM 418 CA LYS A 31 -11.182 2.790 8.719 1.00 0.00 C ATOM 419 C LYS A 31 -11.724 1.866 9.805 1.00 0.00 C ATOM 420 O LYS A 31 -11.314 0.711 9.911 1.00 0.00 O ATOM 421 CB LYS A 31 -12.084 2.729 7.484 1.00 0.00 C ATOM 422 CG LYS A 31 -13.229 3.726 7.517 1.00 0.00 C ATOM 423 CD LYS A 31 -13.757 4.015 6.122 1.00 0.00 C ATOM 424 CE LYS A 31 -12.918 5.068 5.415 1.00 0.00 C ATOM 425 NZ LYS A 31 -13.278 6.446 5.850 1.00 0.00 N ATOM 0 H LYS A 31 -9.689 2.166 7.388 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.174 3.809 9.105 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.481 2.911 6.595 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -12.492 1.723 7.392 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -14.035 3.335 8.138 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.892 4.654 7.979 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.760 3.096 5.535 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -14.791 4.355 6.186 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.862 4.887 5.617 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -13.056 4.979 4.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.684 7.135 5.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.279 6.628 5.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -13.122 6.539 6.874 1.00 0.00 H new ATOM 439 N SER A 32 -12.649 2.382 10.607 1.00 0.00 N ATOM 440 CA SER A 32 -13.245 1.603 11.686 1.00 0.00 C ATOM 441 C SER A 32 -14.334 0.679 11.151 1.00 0.00 C ATOM 442 O SER A 32 -14.424 -0.485 11.542 1.00 0.00 O ATOM 443 CB SER A 32 -13.828 2.532 12.752 1.00 0.00 C ATOM 444 OG SER A 32 -14.981 3.201 12.271 1.00 0.00 O ATOM 0 H SER A 32 -13.002 3.336 10.530 1.00 0.00 H new ATOM 0 HA SER A 32 -12.462 0.992 12.135 1.00 0.00 H new ATOM 0 HB2 SER A 32 -14.083 1.955 13.641 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.077 3.264 13.051 1.00 0.00 H new ATOM 0 HG SER A 32 -15.335 3.787 12.972 1.00 0.00 H new ATOM 450 N SER A 33 -15.161 1.206 10.253 1.00 0.00 N ATOM 451 CA SER A 33 -16.247 0.431 9.665 1.00 0.00 C ATOM 452 C SER A 33 -15.700 -0.705 8.806 1.00 0.00 C ATOM 453 O SER A 33 -16.229 -1.818 8.817 1.00 0.00 O ATOM 454 CB SER A 33 -17.150 1.335 8.823 1.00 0.00 C ATOM 455 OG SER A 33 -16.473 1.794 7.665 1.00 0.00 O ATOM 0 H SER A 33 -15.099 2.167 9.917 1.00 0.00 H new ATOM 0 HA SER A 33 -16.833 -0.001 10.476 1.00 0.00 H new ATOM 0 HB2 SER A 33 -18.047 0.789 8.531 1.00 0.00 H new ATOM 0 HB3 SER A 33 -17.476 2.187 9.420 1.00 0.00 H new ATOM 0 HG SER A 33 -17.071 2.368 7.142 1.00 0.00 H new ATOM 461 N HIS A 34 -14.638 -0.416 8.060 1.00 0.00 N ATOM 462 CA HIS A 34 -14.019 -1.413 7.194 1.00 0.00 C ATOM 463 C HIS A 34 -13.976 -2.776 7.879 1.00 0.00 C ATOM 464 O HIS A 34 -14.670 -3.708 7.473 1.00 0.00 O ATOM 465 CB HIS A 34 -12.604 -0.976 6.810 1.00 0.00 C ATOM 466 CG HIS A 34 -12.558 -0.093 5.601 1.00 0.00 C ATOM 467 ND1 HIS A 34 -13.448 0.812 5.132 1.00 0.00 N flip ATOM 468 CD2 HIS A 34 -11.500 -0.082 4.718 1.00 0.00 C flip ATOM 469 CE1 HIS A 34 -12.916 1.348 3.985 1.00 0.00 C flip ATOM 470 NE2 HIS A 34 -11.740 0.792 3.758 1.00 0.00 N flip ATOM 0 H HIS A 34 -14.189 0.499 8.038 1.00 0.00 H new ATOM 0 HA HIS A 34 -14.622 -1.500 6.290 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.154 -0.450 7.652 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -11.996 -1.862 6.626 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -10.613 -0.693 4.799 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -13.383 2.102 3.369 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -11.122 1.002 2.974 1.00 0.00 H new ATOM 478 N LEU A 35 -13.154 -2.885 8.917 1.00 0.00 N ATOM 479 CA LEU A 35 -13.020 -4.134 9.658 1.00 0.00 C ATOM 480 C LEU A 35 -14.373 -4.815 9.829 1.00 0.00 C ATOM 481 O LEU A 35 -14.512 -6.015 9.591 1.00 0.00 O ATOM 482 CB LEU A 35 -12.391 -3.872 11.028 1.00 0.00 C ATOM 483 CG LEU A 35 -12.027 -5.111 11.847 1.00 0.00 C ATOM 484 CD1 LEU A 35 -10.874 -5.860 11.197 1.00 0.00 C ATOM 485 CD2 LEU A 35 -11.674 -4.721 13.276 1.00 0.00 C ATOM 0 H LEU A 35 -12.571 -2.124 9.264 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.371 -4.798 9.087 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.488 -3.278 10.884 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.082 -3.265 11.613 1.00 0.00 H new ATOM 0 HG LEU A 35 -12.893 -5.772 11.875 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.629 -6.739 11.794 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.163 -6.172 10.193 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.003 -5.207 11.138 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.418 -5.615 13.844 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -10.823 -4.040 13.268 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.528 -4.228 13.740 1.00 0.00 H new ATOM 497 N LYS A 36 -15.372 -4.040 10.239 1.00 0.00 N ATOM 498 CA LYS A 36 -16.717 -4.567 10.439 1.00 0.00 C ATOM 499 C LYS A 36 -17.219 -5.268 9.180 1.00 0.00 C ATOM 500 O LYS A 36 -17.859 -6.315 9.255 1.00 0.00 O ATOM 501 CB LYS A 36 -17.677 -3.439 10.824 1.00 0.00 C ATOM 502 CG LYS A 36 -19.038 -3.928 11.285 1.00 0.00 C ATOM 503 CD LYS A 36 -20.072 -2.816 11.250 1.00 0.00 C ATOM 504 CE LYS A 36 -21.486 -3.364 11.368 1.00 0.00 C ATOM 505 NZ LYS A 36 -22.029 -3.784 10.046 1.00 0.00 N ATOM 0 H LYS A 36 -15.275 -3.045 10.439 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.678 -5.295 11.249 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.226 -2.845 11.619 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -17.809 -2.778 9.968 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -19.365 -4.750 10.648 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -18.960 -4.322 12.298 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -19.883 -2.116 12.064 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -19.974 -2.256 10.320 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -21.490 -4.215 12.050 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -22.135 -2.604 11.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -22.994 -4.152 10.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -22.049 -2.967 9.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -21.424 -4.527 9.642 1.00 0.00 H new ATOM 519 N ALA A 37 -16.923 -4.682 8.025 1.00 0.00 N ATOM 520 CA ALA A 37 -17.342 -5.252 6.749 1.00 0.00 C ATOM 521 C ALA A 37 -16.560 -6.524 6.434 1.00 0.00 C ATOM 522 O ALA A 37 -17.117 -7.495 5.925 1.00 0.00 O ATOM 523 CB ALA A 37 -17.168 -4.233 5.633 1.00 0.00 C ATOM 0 H ALA A 37 -16.395 -3.813 7.946 1.00 0.00 H new ATOM 0 HA ALA A 37 -18.397 -5.514 6.825 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -17.484 -4.672 4.687 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.775 -3.353 5.846 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -16.120 -3.943 5.566 1.00 0.00 H new ATOM 529 N HIS A 38 -15.267 -6.509 6.740 1.00 0.00 N ATOM 530 CA HIS A 38 -14.409 -7.661 6.489 1.00 0.00 C ATOM 531 C HIS A 38 -14.813 -8.841 7.367 1.00 0.00 C ATOM 532 O HIS A 38 -14.928 -9.972 6.893 1.00 0.00 O ATOM 533 CB HIS A 38 -12.945 -7.299 6.743 1.00 0.00 C ATOM 534 CG HIS A 38 -12.113 -8.456 7.202 1.00 0.00 C ATOM 535 ND1 HIS A 38 -11.690 -8.807 8.439 1.00 0.00 N flip ATOM 536 CD2 HIS A 38 -11.616 -9.413 6.344 1.00 0.00 C flip ATOM 537 CE1 HIS A 38 -10.953 -9.957 8.307 1.00 0.00 C flip ATOM 538 NE2 HIS A 38 -10.923 -10.303 7.033 1.00 0.00 N flip ATOM 0 H HIS A 38 -14.790 -5.712 7.162 1.00 0.00 H new ATOM 0 HA HIS A 38 -14.528 -7.950 5.445 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -12.515 -6.894 5.827 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.899 -6.509 7.493 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -11.883 -8.309 9.308 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -11.769 -9.433 5.275 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -10.475 -10.492 9.114 1.00 0.00 H new ATOM 546 N THR A 39 -15.027 -8.571 8.652 1.00 0.00 N ATOM 547 CA THR A 39 -15.416 -9.610 9.596 1.00 0.00 C ATOM 548 C THR A 39 -16.313 -10.648 8.932 1.00 0.00 C ATOM 549 O THR A 39 -16.279 -11.828 9.284 1.00 0.00 O ATOM 550 CB THR A 39 -16.150 -9.017 10.813 1.00 0.00 C ATOM 551 OG1 THR A 39 -15.381 -7.948 11.376 1.00 0.00 O ATOM 552 CG2 THR A 39 -16.397 -10.083 11.870 1.00 0.00 C ATOM 0 H THR A 39 -14.937 -7.641 9.062 1.00 0.00 H new ATOM 0 HA THR A 39 -14.498 -10.090 9.934 1.00 0.00 H new ATOM 0 HB THR A 39 -17.113 -8.633 10.476 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.258 -7.245 10.705 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.917 -9.640 12.719 1.00 0.00 H new ATOM 0 HG22 THR A 39 -17.008 -10.880 11.447 1.00 0.00 H new ATOM 0 HG23 THR A 39 -15.444 -10.494 12.202 1.00 0.00 H new ATOM 560 N ARG A 40 -17.115 -10.203 7.972 1.00 0.00 N ATOM 561 CA ARG A 40 -18.023 -11.095 7.259 1.00 0.00 C ATOM 562 C ARG A 40 -17.300 -12.361 6.810 1.00 0.00 C ATOM 563 O ARG A 40 -17.750 -13.476 7.077 1.00 0.00 O ATOM 564 CB ARG A 40 -18.626 -10.382 6.048 1.00 0.00 C ATOM 565 CG ARG A 40 -19.542 -9.226 6.414 1.00 0.00 C ATOM 566 CD ARG A 40 -20.031 -8.488 5.178 1.00 0.00 C ATOM 567 NE ARG A 40 -20.816 -9.351 4.300 1.00 0.00 N ATOM 568 CZ ARG A 40 -20.914 -9.169 2.988 1.00 0.00 C ATOM 569 NH1 ARG A 40 -20.282 -8.160 2.405 1.00 0.00 N ATOM 570 NH2 ARG A 40 -21.648 -9.999 2.256 1.00 0.00 N ATOM 0 H ARG A 40 -17.155 -9.230 7.669 1.00 0.00 H new ATOM 0 HA ARG A 40 -18.825 -11.378 7.941 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.819 -10.009 5.418 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -19.186 -11.104 5.454 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -20.397 -9.602 6.976 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -19.011 -8.533 7.067 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -20.636 -7.634 5.482 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -19.176 -8.094 4.629 1.00 0.00 H new ATOM 0 HE ARG A 40 -21.316 -10.136 4.717 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -19.718 -7.520 2.964 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -20.360 -8.024 1.397 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -22.136 -10.776 2.701 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -21.724 -9.860 1.248 1.00 0.00 H new ATOM 584 N THR A 41 -16.173 -12.182 6.125 1.00 0.00 N ATOM 585 CA THR A 41 -15.389 -13.309 5.638 1.00 0.00 C ATOM 586 C THR A 41 -15.251 -14.387 6.706 1.00 0.00 C ATOM 587 O THR A 41 -15.030 -15.558 6.397 1.00 0.00 O ATOM 588 CB THR A 41 -13.983 -12.863 5.190 1.00 0.00 C ATOM 589 OG1 THR A 41 -13.310 -13.945 4.538 1.00 0.00 O ATOM 590 CG2 THR A 41 -13.161 -12.391 6.381 1.00 0.00 C ATOM 0 H THR A 41 -15.784 -11.267 5.896 1.00 0.00 H new ATOM 0 HA THR A 41 -15.924 -13.718 4.781 1.00 0.00 H new ATOM 0 HB THR A 41 -14.094 -12.033 4.493 1.00 0.00 H new ATOM 0 HG1 THR A 41 -12.418 -13.653 4.255 1.00 0.00 H new ATOM 0 HG21 THR A 41 -12.173 -12.081 6.041 1.00 0.00 H new ATOM 0 HG22 THR A 41 -13.662 -11.548 6.858 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.059 -13.205 7.098 1.00 0.00 H new ATOM 598 N HIS A 42 -15.382 -13.985 7.967 1.00 0.00 N ATOM 599 CA HIS A 42 -15.275 -14.918 9.082 1.00 0.00 C ATOM 600 C HIS A 42 -16.650 -15.426 9.501 1.00 0.00 C ATOM 601 O HIS A 42 -16.839 -16.620 9.737 1.00 0.00 O ATOM 602 CB HIS A 42 -14.581 -14.249 10.269 1.00 0.00 C ATOM 603 CG HIS A 42 -13.188 -13.787 9.968 1.00 0.00 C ATOM 604 ND1 HIS A 42 -12.305 -14.514 9.198 1.00 0.00 N ATOM 605 CD2 HIS A 42 -12.529 -12.665 10.336 1.00 0.00 C ATOM 606 CE1 HIS A 42 -11.161 -13.859 9.107 1.00 0.00 C ATOM 607 NE2 HIS A 42 -11.271 -12.733 9.788 1.00 0.00 N ATOM 0 H HIS A 42 -15.562 -13.019 8.241 1.00 0.00 H new ATOM 0 HA HIS A 42 -14.678 -15.769 8.755 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -15.176 -13.395 10.593 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.550 -14.950 11.103 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -12.504 -15.416 8.766 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.919 -11.864 10.947 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -10.285 -14.188 8.568 1.00 0.00 H new ATOM 651 N LYS A 46 -25.967 -17.755 10.487 1.00 0.00 N ATOM 652 CA LYS A 46 -26.950 -16.678 10.516 1.00 0.00 C ATOM 653 C LYS A 46 -26.656 -15.645 9.434 1.00 0.00 C ATOM 654 O LYS A 46 -26.690 -14.437 9.669 1.00 0.00 O ATOM 655 CB LYS A 46 -26.956 -16.005 11.891 1.00 0.00 C ATOM 656 CG LYS A 46 -27.835 -16.710 12.910 1.00 0.00 C ATOM 657 CD LYS A 46 -27.204 -18.007 13.387 1.00 0.00 C ATOM 658 CE LYS A 46 -26.149 -17.754 14.453 1.00 0.00 C ATOM 659 NZ LYS A 46 -26.742 -17.198 15.701 1.00 0.00 N ATOM 0 HA LYS A 46 -27.933 -17.109 10.324 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -25.935 -15.964 12.271 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -27.296 -14.975 11.781 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -28.005 -16.052 13.762 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -28.810 -16.919 12.469 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -27.977 -18.663 13.787 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -26.752 -18.525 12.542 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -25.632 -18.686 14.681 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -25.401 -17.061 14.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -26.111 -17.397 16.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -26.861 -16.170 15.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -27.669 -17.638 15.871 1.00 0.00 H new ATOM 673 N PRO A 47 -26.363 -16.128 8.217 1.00 0.00 N ATOM 674 CA PRO A 47 -26.061 -15.263 7.074 1.00 0.00 C ATOM 675 C PRO A 47 -27.287 -14.500 6.583 1.00 0.00 C ATOM 676 O PRO A 47 -27.166 -13.436 5.974 1.00 0.00 O ATOM 677 CB PRO A 47 -25.578 -16.245 6.003 1.00 0.00 C ATOM 678 CG PRO A 47 -26.217 -17.542 6.364 1.00 0.00 C ATOM 679 CD PRO A 47 -26.306 -17.557 7.865 1.00 0.00 C ATOM 0 HA PRO A 47 -25.331 -14.494 7.327 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -25.875 -15.921 5.006 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -24.491 -16.326 6.001 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -27.206 -17.628 5.914 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -25.626 -18.383 6.000 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -27.191 -18.092 8.210 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -25.442 -18.047 8.314 1.00 0.00 H new ATOM 687 N PHE A 48 -28.467 -15.050 6.852 1.00 0.00 N ATOM 688 CA PHE A 48 -29.715 -14.422 6.437 1.00 0.00 C ATOM 689 C PHE A 48 -30.291 -13.564 7.560 1.00 0.00 C ATOM 690 O PHE A 48 -30.071 -13.837 8.739 1.00 0.00 O ATOM 691 CB PHE A 48 -30.732 -15.487 6.020 1.00 0.00 C ATOM 692 CG PHE A 48 -30.468 -16.068 4.661 1.00 0.00 C ATOM 693 CD1 PHE A 48 -29.615 -17.150 4.510 1.00 0.00 C ATOM 694 CD2 PHE A 48 -31.072 -15.533 3.534 1.00 0.00 C ATOM 695 CE1 PHE A 48 -29.370 -17.687 3.260 1.00 0.00 C ATOM 696 CE2 PHE A 48 -30.831 -16.067 2.282 1.00 0.00 C ATOM 697 CZ PHE A 48 -29.979 -17.145 2.144 1.00 0.00 C ATOM 0 H PHE A 48 -28.584 -15.929 7.356 1.00 0.00 H new ATOM 0 HA PHE A 48 -29.503 -13.778 5.584 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -30.728 -16.290 6.757 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -31.730 -15.049 6.032 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -29.137 -17.578 5.378 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -31.739 -14.689 3.635 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -28.703 -18.530 3.156 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -31.309 -15.641 1.412 1.00 0.00 H new ATOM 0 HZ PHE A 48 -29.789 -17.563 1.167 1.00 0.00 H new ATOM 707 N SER A 49 -31.030 -12.525 7.183 1.00 0.00 N ATOM 708 CA SER A 49 -31.635 -11.624 8.157 1.00 0.00 C ATOM 709 C SER A 49 -32.832 -10.897 7.553 1.00 0.00 C ATOM 710 O SER A 49 -32.767 -10.394 6.430 1.00 0.00 O ATOM 711 CB SER A 49 -30.604 -10.609 8.652 1.00 0.00 C ATOM 712 OG SER A 49 -30.186 -9.752 7.604 1.00 0.00 O ATOM 0 H SER A 49 -31.224 -12.287 6.210 1.00 0.00 H new ATOM 0 HA SER A 49 -31.982 -12.220 9.001 1.00 0.00 H new ATOM 0 HB2 SER A 49 -31.032 -10.017 9.461 1.00 0.00 H new ATOM 0 HB3 SER A 49 -29.741 -11.134 9.063 1.00 0.00 H new ATOM 0 HG SER A 49 -29.528 -9.112 7.948 1.00 0.00 H new ATOM 718 N CYS A 50 -33.925 -10.844 8.306 1.00 0.00 N ATOM 719 CA CYS A 50 -35.139 -10.178 7.847 1.00 0.00 C ATOM 720 C CYS A 50 -35.066 -8.675 8.104 1.00 0.00 C ATOM 721 O CYS A 50 -34.296 -8.216 8.946 1.00 0.00 O ATOM 722 CB CYS A 50 -36.365 -10.767 8.549 1.00 0.00 C ATOM 723 SG CYS A 50 -37.956 -10.202 7.865 1.00 0.00 S ATOM 0 H CYS A 50 -33.996 -11.254 9.237 1.00 0.00 H new ATOM 0 HA CYS A 50 -35.229 -10.341 6.773 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -36.320 -11.854 8.485 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -36.324 -10.508 9.607 1.00 0.00 H new ATOM 0 HG CYS A 50 -38.729 -9.808 8.833 1.00 0.00 H new ATOM 728 N SER A 51 -35.872 -7.916 7.370 1.00 0.00 N ATOM 729 CA SER A 51 -35.897 -6.465 7.515 1.00 0.00 C ATOM 730 C SER A 51 -37.324 -5.933 7.416 1.00 0.00 C ATOM 731 O SER A 51 -37.922 -5.925 6.340 1.00 0.00 O ATOM 732 CB SER A 51 -35.022 -5.809 6.445 1.00 0.00 C ATOM 733 OG SER A 51 -34.861 -4.424 6.696 1.00 0.00 O ATOM 0 H SER A 51 -36.517 -8.281 6.669 1.00 0.00 H new ATOM 0 HA SER A 51 -35.502 -6.217 8.500 1.00 0.00 H new ATOM 0 HB2 SER A 51 -34.046 -6.293 6.422 1.00 0.00 H new ATOM 0 HB3 SER A 51 -35.473 -5.954 5.463 1.00 0.00 H new ATOM 0 HG SER A 51 -34.297 -4.029 5.999 1.00 0.00 H new ATOM 739 N TRP A 52 -37.862 -5.490 8.546 1.00 0.00 N ATOM 740 CA TRP A 52 -39.219 -4.956 8.588 1.00 0.00 C ATOM 741 C TRP A 52 -39.330 -3.831 9.612 1.00 0.00 C ATOM 742 O TRP A 52 -38.396 -3.575 10.372 1.00 0.00 O ATOM 743 CB TRP A 52 -40.216 -6.066 8.923 1.00 0.00 C ATOM 744 CG TRP A 52 -41.621 -5.750 8.509 1.00 0.00 C ATOM 745 CD1 TRP A 52 -42.738 -5.797 9.294 1.00 0.00 C ATOM 746 CD2 TRP A 52 -42.058 -5.338 7.209 1.00 0.00 C ATOM 747 NE1 TRP A 52 -43.843 -5.439 8.560 1.00 0.00 N ATOM 748 CE2 TRP A 52 -43.453 -5.152 7.278 1.00 0.00 C ATOM 749 CE3 TRP A 52 -41.407 -5.105 5.995 1.00 0.00 C ATOM 750 CZ2 TRP A 52 -44.205 -4.747 6.179 1.00 0.00 C ATOM 751 CZ3 TRP A 52 -42.156 -4.705 4.904 1.00 0.00 C ATOM 752 CH2 TRP A 52 -43.542 -4.528 5.002 1.00 0.00 C ATOM 0 H TRP A 52 -37.380 -5.490 9.445 1.00 0.00 H new ATOM 0 HA TRP A 52 -39.454 -4.551 7.604 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -39.900 -6.988 8.434 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -40.195 -6.251 9.997 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -42.751 -6.075 10.338 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -44.799 -5.394 8.912 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -40.338 -5.235 5.910 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -45.274 -4.610 6.253 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -41.664 -4.526 3.960 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -44.098 -4.213 4.132 1.00 0.00 H new ATOM 763 N LYS A 53 -40.477 -3.161 9.626 1.00 0.00 N ATOM 764 CA LYS A 53 -40.711 -2.063 10.557 1.00 0.00 C ATOM 765 C LYS A 53 -40.178 -2.404 11.945 1.00 0.00 C ATOM 766 O LYS A 53 -39.263 -1.753 12.446 1.00 0.00 O ATOM 767 CB LYS A 53 -42.206 -1.745 10.637 1.00 0.00 C ATOM 768 CG LYS A 53 -42.506 -0.376 11.222 1.00 0.00 C ATOM 769 CD LYS A 53 -43.998 -0.167 11.416 1.00 0.00 C ATOM 770 CE LYS A 53 -44.509 -0.903 12.644 1.00 0.00 C ATOM 771 NZ LYS A 53 -44.112 -0.219 13.906 1.00 0.00 N ATOM 0 H LYS A 53 -41.260 -3.359 9.003 1.00 0.00 H new ATOM 0 HA LYS A 53 -40.179 -1.187 10.188 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -42.636 -1.806 9.637 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -42.699 -2.506 11.243 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -41.995 -0.268 12.179 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -42.112 0.397 10.562 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -44.207 0.898 11.516 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -44.533 -0.516 10.533 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -45.595 -0.977 12.597 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -44.120 -1.921 12.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -44.629 -0.638 14.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -43.089 -0.334 14.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -44.341 0.793 13.839 1.00 0.00 H new ATOM 785 N GLY A 54 -40.756 -3.431 12.560 1.00 0.00 N ATOM 786 CA GLY A 54 -40.325 -3.841 13.884 1.00 0.00 C ATOM 787 C GLY A 54 -40.179 -5.345 14.007 1.00 0.00 C ATOM 788 O GLY A 54 -40.524 -5.928 15.035 1.00 0.00 O ATOM 0 H GLY A 54 -41.515 -3.986 12.165 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -39.371 -3.366 14.115 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -41.044 -3.487 14.623 1.00 0.00 H new ATOM 792 N CYS A 55 -39.667 -5.975 12.955 1.00 0.00 N ATOM 793 CA CYS A 55 -39.478 -7.422 12.947 1.00 0.00 C ATOM 794 C CYS A 55 -38.294 -7.820 13.824 1.00 0.00 C ATOM 795 O CYS A 55 -38.468 -8.446 14.869 1.00 0.00 O ATOM 796 CB CYS A 55 -39.259 -7.920 11.517 1.00 0.00 C ATOM 797 SG CYS A 55 -38.517 -9.580 11.415 1.00 0.00 S ATOM 0 H CYS A 55 -39.375 -5.507 12.097 1.00 0.00 H new ATOM 0 HA CYS A 55 -40.378 -7.884 13.351 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -40.216 -7.929 10.996 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -38.617 -7.213 10.992 1.00 0.00 H new ATOM 0 HG CYS A 55 -39.249 -10.336 10.652 1.00 0.00 H new ATOM 802 N GLU A 56 -37.094 -7.451 13.390 1.00 0.00 N ATOM 803 CA GLU A 56 -35.882 -7.771 14.135 1.00 0.00 C ATOM 804 C GLU A 56 -35.756 -9.277 14.349 1.00 0.00 C ATOM 805 O GLU A 56 -35.444 -9.734 15.449 1.00 0.00 O ATOM 806 CB GLU A 56 -35.882 -7.051 15.486 1.00 0.00 C ATOM 807 CG GLU A 56 -34.512 -6.976 16.136 1.00 0.00 C ATOM 808 CD GLU A 56 -34.364 -5.775 17.050 1.00 0.00 C ATOM 809 OE1 GLU A 56 -34.726 -4.658 16.626 1.00 0.00 O ATOM 810 OE2 GLU A 56 -33.886 -5.953 18.190 1.00 0.00 O ATOM 0 H GLU A 56 -36.935 -6.931 12.527 1.00 0.00 H new ATOM 0 HA GLU A 56 -35.027 -7.432 13.550 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -36.266 -6.040 15.349 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -36.567 -7.563 16.161 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -34.335 -7.887 16.708 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -33.748 -6.933 15.360 1.00 0.00 H new ATOM 817 N ARG A 57 -36.002 -10.041 13.291 1.00 0.00 N ATOM 818 CA ARG A 57 -35.917 -11.495 13.362 1.00 0.00 C ATOM 819 C ARG A 57 -35.136 -12.053 12.177 1.00 0.00 C ATOM 820 O ARG A 57 -35.607 -12.021 11.039 1.00 0.00 O ATOM 821 CB ARG A 57 -37.319 -12.107 13.397 1.00 0.00 C ATOM 822 CG ARG A 57 -38.158 -11.642 14.576 1.00 0.00 C ATOM 823 CD ARG A 57 -37.787 -12.386 15.850 1.00 0.00 C ATOM 824 NE ARG A 57 -38.692 -12.069 16.951 1.00 0.00 N ATOM 825 CZ ARG A 57 -38.321 -12.055 18.227 1.00 0.00 C ATOM 826 NH1 ARG A 57 -37.069 -12.337 18.560 1.00 0.00 N ATOM 827 NH2 ARG A 57 -39.203 -11.758 19.173 1.00 0.00 N ATOM 0 H ARG A 57 -36.262 -9.678 12.374 1.00 0.00 H new ATOM 0 HA ARG A 57 -35.389 -11.759 14.278 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -37.838 -11.857 12.472 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -37.231 -13.193 13.430 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -38.018 -10.571 14.724 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -39.214 -11.798 14.357 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -37.807 -13.459 15.662 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -36.766 -12.131 16.135 1.00 0.00 H new ATOM 0 HE ARG A 57 -39.662 -11.846 16.729 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -36.388 -12.565 17.836 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -36.787 -12.325 19.540 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -40.167 -11.540 18.921 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -38.917 -11.748 20.152 1.00 0.00 H new ATOM 841 N ARG A 58 -33.940 -12.564 12.450 1.00 0.00 N ATOM 842 CA ARG A 58 -33.092 -13.128 11.407 1.00 0.00 C ATOM 843 C ARG A 58 -33.117 -14.653 11.450 1.00 0.00 C ATOM 844 O ARG A 58 -33.653 -15.249 12.385 1.00 0.00 O ATOM 845 CB ARG A 58 -31.655 -12.626 11.560 1.00 0.00 C ATOM 846 CG ARG A 58 -30.916 -13.245 12.734 1.00 0.00 C ATOM 847 CD ARG A 58 -29.819 -12.328 13.249 1.00 0.00 C ATOM 848 NE ARG A 58 -30.353 -11.066 13.756 1.00 0.00 N ATOM 849 CZ ARG A 58 -30.451 -9.963 13.024 1.00 0.00 C ATOM 850 NH1 ARG A 58 -30.054 -9.964 11.759 1.00 0.00 N ATOM 851 NH2 ARG A 58 -30.949 -8.854 13.556 1.00 0.00 N ATOM 0 H ARG A 58 -33.536 -12.599 13.386 1.00 0.00 H new ATOM 0 HA ARG A 58 -33.482 -12.803 10.443 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -31.105 -12.838 10.643 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -31.668 -11.543 11.680 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -31.621 -13.457 13.538 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -30.482 -14.198 12.430 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -29.267 -12.833 14.042 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -29.110 -12.125 12.447 1.00 0.00 H new ATOM 0 HE ARG A 58 -30.668 -11.031 14.726 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -29.672 -10.814 11.345 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -30.131 -9.115 11.200 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -31.257 -8.849 14.528 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -31.024 -8.007 12.993 1.00 0.00 H new ATOM 865 N PHE A 59 -32.535 -15.278 10.433 1.00 0.00 N ATOM 866 CA PHE A 59 -32.491 -16.734 10.355 1.00 0.00 C ATOM 867 C PHE A 59 -31.227 -17.203 9.641 1.00 0.00 C ATOM 868 O PHE A 59 -30.571 -16.428 8.945 1.00 0.00 O ATOM 869 CB PHE A 59 -33.728 -17.264 9.627 1.00 0.00 C ATOM 870 CG PHE A 59 -35.024 -16.821 10.245 1.00 0.00 C ATOM 871 CD1 PHE A 59 -35.559 -15.578 9.949 1.00 0.00 C ATOM 872 CD2 PHE A 59 -35.707 -17.649 11.121 1.00 0.00 C ATOM 873 CE1 PHE A 59 -36.749 -15.168 10.518 1.00 0.00 C ATOM 874 CE2 PHE A 59 -36.899 -17.245 11.693 1.00 0.00 C ATOM 875 CZ PHE A 59 -37.422 -16.003 11.390 1.00 0.00 C ATOM 0 H PHE A 59 -32.087 -14.800 9.651 1.00 0.00 H new ATOM 0 HA PHE A 59 -32.479 -17.127 11.372 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -33.698 -16.933 8.589 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -33.694 -18.353 9.616 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -35.040 -14.922 9.266 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -35.303 -18.622 11.360 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -37.154 -14.195 10.282 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -37.420 -17.900 12.376 1.00 0.00 H new ATOM 0 HZ PHE A 59 -38.354 -15.685 11.833 1.00 0.00 H new ATOM 885 N ALA A 60 -30.892 -18.476 9.818 1.00 0.00 N ATOM 886 CA ALA A 60 -29.708 -19.049 9.190 1.00 0.00 C ATOM 887 C ALA A 60 -30.036 -19.611 7.810 1.00 0.00 C ATOM 888 O ALA A 60 -29.300 -19.390 6.849 1.00 0.00 O ATOM 889 CB ALA A 60 -29.113 -20.134 10.076 1.00 0.00 C ATOM 0 H ALA A 60 -31.424 -19.131 10.391 1.00 0.00 H new ATOM 0 HA ALA A 60 -28.973 -18.254 9.065 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -28.229 -20.553 9.594 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -28.833 -19.705 11.038 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -29.850 -20.922 10.231 1.00 0.00 H new ATOM 895 N ARG A 61 -31.144 -20.339 7.721 1.00 0.00 N ATOM 896 CA ARG A 61 -31.567 -20.935 6.459 1.00 0.00 C ATOM 897 C ARG A 61 -32.349 -19.929 5.619 1.00 0.00 C ATOM 898 O ARG A 61 -32.937 -18.986 6.150 1.00 0.00 O ATOM 899 CB ARG A 61 -32.425 -22.175 6.718 1.00 0.00 C ATOM 900 CG ARG A 61 -31.623 -23.388 7.160 1.00 0.00 C ATOM 901 CD ARG A 61 -32.456 -24.322 8.024 1.00 0.00 C ATOM 902 NE ARG A 61 -32.769 -23.733 9.323 1.00 0.00 N ATOM 903 CZ ARG A 61 -31.891 -23.632 10.315 1.00 0.00 C ATOM 904 NH1 ARG A 61 -30.653 -24.079 10.156 1.00 0.00 N ATOM 905 NH2 ARG A 61 -32.251 -23.082 11.468 1.00 0.00 N ATOM 0 H ARG A 61 -31.765 -20.530 8.507 1.00 0.00 H new ATOM 0 HA ARG A 61 -30.674 -21.228 5.907 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -33.165 -21.941 7.483 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -32.973 -22.424 5.809 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -31.262 -23.926 6.283 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -30.745 -23.062 7.717 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -33.382 -24.567 7.504 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -31.916 -25.258 8.171 1.00 0.00 H new ATOM 0 HE ARG A 61 -33.713 -23.380 9.477 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -30.373 -24.501 9.271 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -29.981 -24.000 10.919 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -33.202 -22.736 11.593 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -31.576 -23.005 12.229 1.00 0.00 H new ATOM 919 N SER A 62 -32.349 -20.135 4.307 1.00 0.00 N ATOM 920 CA SER A 62 -33.054 -19.244 3.392 1.00 0.00 C ATOM 921 C SER A 62 -34.545 -19.564 3.365 1.00 0.00 C ATOM 922 O SER A 62 -35.384 -18.663 3.371 1.00 0.00 O ATOM 923 CB SER A 62 -32.471 -19.359 1.983 1.00 0.00 C ATOM 924 OG SER A 62 -32.468 -20.706 1.540 1.00 0.00 O ATOM 0 H SER A 62 -31.869 -20.912 3.852 1.00 0.00 H new ATOM 0 HA SER A 62 -32.925 -18.222 3.748 1.00 0.00 H new ATOM 0 HB2 SER A 62 -33.054 -18.748 1.294 1.00 0.00 H new ATOM 0 HB3 SER A 62 -31.454 -18.968 1.974 1.00 0.00 H new ATOM 0 HG SER A 62 -32.092 -20.752 0.636 1.00 0.00 H new ATOM 930 N ASP A 63 -34.868 -20.852 3.336 1.00 0.00 N ATOM 931 CA ASP A 63 -36.258 -21.292 3.310 1.00 0.00 C ATOM 932 C ASP A 63 -37.051 -20.658 4.448 1.00 0.00 C ATOM 933 O ASP A 63 -38.049 -19.977 4.217 1.00 0.00 O ATOM 934 CB ASP A 63 -36.335 -22.816 3.405 1.00 0.00 C ATOM 935 CG ASP A 63 -37.658 -23.363 2.907 1.00 0.00 C ATOM 936 OD1 ASP A 63 -38.654 -22.608 2.922 1.00 0.00 O ATOM 937 OD2 ASP A 63 -37.699 -24.543 2.503 1.00 0.00 O ATOM 0 H ASP A 63 -34.186 -21.610 3.330 1.00 0.00 H new ATOM 0 HA ASP A 63 -36.696 -20.972 2.365 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -35.523 -23.254 2.825 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -36.187 -23.120 4.441 1.00 0.00 H new ATOM 942 N GLU A 64 -36.599 -20.888 5.677 1.00 0.00 N ATOM 943 CA GLU A 64 -37.268 -20.340 6.851 1.00 0.00 C ATOM 944 C GLU A 64 -37.653 -18.881 6.627 1.00 0.00 C ATOM 945 O GLU A 64 -38.792 -18.482 6.874 1.00 0.00 O ATOM 946 CB GLU A 64 -36.366 -20.458 8.081 1.00 0.00 C ATOM 947 CG GLU A 64 -36.532 -21.767 8.835 1.00 0.00 C ATOM 948 CD GLU A 64 -36.126 -21.657 10.292 1.00 0.00 C ATOM 949 OE1 GLU A 64 -36.671 -20.781 10.995 1.00 0.00 O ATOM 950 OE2 GLU A 64 -35.264 -22.448 10.728 1.00 0.00 O ATOM 0 H GLU A 64 -35.773 -21.449 5.885 1.00 0.00 H new ATOM 0 HA GLU A 64 -38.178 -20.916 7.020 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -35.326 -20.357 7.770 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -36.578 -19.630 8.757 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -37.572 -22.087 8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -35.933 -22.539 8.352 1.00 0.00 H new ATOM 957 N LEU A 65 -36.695 -18.088 6.158 1.00 0.00 N ATOM 958 CA LEU A 65 -36.931 -16.672 5.900 1.00 0.00 C ATOM 959 C LEU A 65 -37.922 -16.485 4.755 1.00 0.00 C ATOM 960 O LEU A 65 -38.845 -15.676 4.845 1.00 0.00 O ATOM 961 CB LEU A 65 -35.615 -15.966 5.572 1.00 0.00 C ATOM 962 CG LEU A 65 -35.735 -14.616 4.863 1.00 0.00 C ATOM 963 CD1 LEU A 65 -36.420 -13.600 5.763 1.00 0.00 C ATOM 964 CD2 LEU A 65 -34.364 -14.115 4.435 1.00 0.00 C ATOM 0 H LEU A 65 -35.747 -18.402 5.949 1.00 0.00 H new ATOM 0 HA LEU A 65 -37.357 -16.230 6.801 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -35.064 -15.818 6.501 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -35.016 -16.629 4.948 1.00 0.00 H new ATOM 0 HG LEU A 65 -36.346 -14.749 3.970 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -36.497 -12.646 5.242 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -37.418 -13.955 6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -35.837 -13.470 6.675 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -34.469 -13.154 3.932 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -33.729 -13.998 5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -33.911 -14.834 3.752 1.00 0.00 H new ATOM 976 N SER A 66 -37.723 -17.240 3.679 1.00 0.00 N ATOM 977 CA SER A 66 -38.597 -17.157 2.515 1.00 0.00 C ATOM 978 C SER A 66 -40.063 -17.262 2.927 1.00 0.00 C ATOM 979 O SER A 66 -40.933 -16.621 2.337 1.00 0.00 O ATOM 980 CB SER A 66 -38.257 -18.262 1.514 1.00 0.00 C ATOM 981 OG SER A 66 -36.868 -18.285 1.232 1.00 0.00 O ATOM 0 H SER A 66 -36.964 -17.916 3.589 1.00 0.00 H new ATOM 0 HA SER A 66 -38.439 -16.188 2.042 1.00 0.00 H new ATOM 0 HB2 SER A 66 -38.566 -19.228 1.915 1.00 0.00 H new ATOM 0 HB3 SER A 66 -38.816 -18.106 0.591 1.00 0.00 H new ATOM 0 HG SER A 66 -36.400 -18.786 1.932 1.00 0.00 H new ATOM 987 N ARG A 67 -40.327 -18.074 3.945 1.00 0.00 N ATOM 988 CA ARG A 67 -41.687 -18.265 4.437 1.00 0.00 C ATOM 989 C ARG A 67 -42.019 -17.249 5.525 1.00 0.00 C ATOM 990 O ARG A 67 -43.142 -16.750 5.602 1.00 0.00 O ATOM 991 CB ARG A 67 -41.862 -19.685 4.978 1.00 0.00 C ATOM 992 CG ARG A 67 -43.288 -20.203 4.881 1.00 0.00 C ATOM 993 CD ARG A 67 -43.435 -21.557 5.557 1.00 0.00 C ATOM 994 NE ARG A 67 -42.718 -22.608 4.841 1.00 0.00 N ATOM 995 CZ ARG A 67 -43.225 -23.268 3.805 1.00 0.00 C ATOM 996 NH1 ARG A 67 -44.445 -22.987 3.368 1.00 0.00 N ATOM 997 NH2 ARG A 67 -42.511 -24.211 3.204 1.00 0.00 N ATOM 0 H ARG A 67 -39.618 -18.610 4.445 1.00 0.00 H new ATOM 0 HA ARG A 67 -42.373 -18.115 3.603 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -41.202 -20.357 4.430 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -41.546 -19.709 6.021 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -43.968 -19.488 5.344 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -43.576 -20.285 3.833 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -43.060 -21.494 6.579 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -44.492 -21.818 5.620 1.00 0.00 H new ATOM 0 HE ARG A 67 -41.777 -22.849 5.153 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -44.997 -22.263 3.827 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -44.831 -23.495 2.573 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -41.572 -24.430 3.537 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -42.901 -24.717 2.409 1.00 0.00 H new ATOM 1011 N HIS A 68 -41.035 -16.947 6.366 1.00 0.00 N ATOM 1012 CA HIS A 68 -41.222 -15.991 7.451 1.00 0.00 C ATOM 1013 C HIS A 68 -41.312 -14.567 6.911 1.00 0.00 C ATOM 1014 O HIS A 68 -41.755 -13.655 7.609 1.00 0.00 O ATOM 1015 CB HIS A 68 -40.075 -16.095 8.456 1.00 0.00 C ATOM 1016 CG HIS A 68 -39.806 -14.820 9.194 1.00 0.00 C ATOM 1017 ND1 HIS A 68 -39.988 -14.685 10.554 1.00 0.00 N ATOM 1018 CD2 HIS A 68 -39.364 -13.619 8.753 1.00 0.00 C ATOM 1019 CE1 HIS A 68 -39.672 -13.455 10.918 1.00 0.00 C ATOM 1020 NE2 HIS A 68 -39.290 -12.788 9.844 1.00 0.00 N ATOM 0 H HIS A 68 -40.100 -17.351 6.317 1.00 0.00 H new ATOM 0 HA HIS A 68 -42.159 -16.231 7.954 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -40.304 -16.880 9.176 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -39.169 -16.399 7.931 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -40.315 -15.420 11.181 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -39.116 -13.362 7.734 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -39.718 -13.062 11.923 1.00 0.00 H new ATOM 1028 N ARG A 69 -40.889 -14.385 5.665 1.00 0.00 N ATOM 1029 CA ARG A 69 -40.921 -13.071 5.032 1.00 0.00 C ATOM 1030 C ARG A 69 -42.219 -12.873 4.256 1.00 0.00 C ATOM 1031 O ARG A 69 -42.866 -11.830 4.365 1.00 0.00 O ATOM 1032 CB ARG A 69 -39.723 -12.906 4.093 1.00 0.00 C ATOM 1033 CG ARG A 69 -39.228 -11.473 3.987 1.00 0.00 C ATOM 1034 CD ARG A 69 -40.151 -10.627 3.124 1.00 0.00 C ATOM 1035 NE ARG A 69 -39.824 -10.733 1.704 1.00 0.00 N ATOM 1036 CZ ARG A 69 -40.726 -10.639 0.733 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -42.003 -10.435 1.028 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -40.351 -10.746 -0.535 1.00 0.00 N ATOM 0 H ARG A 69 -40.520 -15.130 5.073 1.00 0.00 H new ATOM 0 HA ARG A 69 -40.868 -12.316 5.816 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -38.907 -13.539 4.443 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -39.998 -13.261 3.100 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -39.158 -11.036 4.983 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -38.223 -11.464 3.564 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -41.183 -10.940 3.282 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -40.083 -9.584 3.435 1.00 0.00 H new ATOM 0 HE ARG A 69 -38.850 -10.888 1.444 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -42.294 -10.350 2.002 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -42.694 -10.363 0.281 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -39.369 -10.901 -0.765 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -41.044 -10.674 -1.280 1.00 0.00 H new ATOM 1052 N ARG A 70 -42.595 -13.879 3.473 1.00 0.00 N ATOM 1053 CA ARG A 70 -43.816 -13.813 2.679 1.00 0.00 C ATOM 1054 C ARG A 70 -45.036 -13.613 3.572 1.00 0.00 C ATOM 1055 O ARG A 70 -46.072 -13.117 3.127 1.00 0.00 O ATOM 1056 CB ARG A 70 -43.980 -15.090 1.852 1.00 0.00 C ATOM 1057 CG ARG A 70 -44.540 -16.261 2.643 1.00 0.00 C ATOM 1058 CD ARG A 70 -45.196 -17.286 1.732 1.00 0.00 C ATOM 1059 NE ARG A 70 -44.216 -18.171 1.108 1.00 0.00 N ATOM 1060 CZ ARG A 70 -44.424 -18.805 -0.040 1.00 0.00 C ATOM 1061 NH1 ARG A 70 -45.571 -18.651 -0.688 1.00 0.00 N ATOM 1062 NH2 ARG A 70 -43.484 -19.593 -0.544 1.00 0.00 N ATOM 0 H ARG A 70 -42.072 -14.749 3.372 1.00 0.00 H new ATOM 0 HA ARG A 70 -43.737 -12.959 2.006 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -44.639 -14.884 1.008 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -43.012 -15.372 1.439 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -43.738 -16.736 3.209 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -45.269 -15.897 3.367 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -45.906 -17.880 2.307 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -45.764 -16.771 0.957 1.00 0.00 H new ATOM 0 HE ARG A 70 -43.323 -18.310 1.580 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -46.296 -18.044 -0.305 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -45.728 -19.139 -1.570 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -42.600 -19.713 -0.050 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -43.645 -20.079 -1.426 1.00 0.00 H new ATOM 1076 N THR A 71 -44.908 -14.002 4.838 1.00 0.00 N ATOM 1077 CA THR A 71 -46.000 -13.866 5.793 1.00 0.00 C ATOM 1078 C THR A 71 -46.170 -12.417 6.232 1.00 0.00 C ATOM 1079 O THR A 71 -47.288 -11.955 6.462 1.00 0.00 O ATOM 1080 CB THR A 71 -45.768 -14.744 7.038 1.00 0.00 C ATOM 1081 OG1 THR A 71 -46.920 -14.700 7.888 1.00 0.00 O ATOM 1082 CG2 THR A 71 -44.544 -14.276 7.809 1.00 0.00 C ATOM 0 H THR A 71 -44.059 -14.414 5.225 1.00 0.00 H new ATOM 0 HA THR A 71 -46.907 -14.197 5.286 1.00 0.00 H new ATOM 0 HB THR A 71 -45.599 -15.769 6.708 1.00 0.00 H new ATOM 0 HG1 THR A 71 -46.766 -15.261 8.676 1.00 0.00 H new ATOM 0 HG21 THR A 71 -44.400 -14.911 8.683 1.00 0.00 H new ATOM 0 HG22 THR A 71 -43.665 -14.337 7.168 1.00 0.00 H new ATOM 0 HG23 THR A 71 -44.688 -13.244 8.129 1.00 0.00 H new ATOM 1090 N HIS A 72 -45.056 -11.702 6.344 1.00 0.00 N ATOM 1091 CA HIS A 72 -45.083 -10.302 6.753 1.00 0.00 C ATOM 1092 C HIS A 72 -46.127 -9.524 5.960 1.00 0.00 C ATOM 1093 O HIS A 72 -47.082 -8.992 6.525 1.00 0.00 O ATOM 1094 CB HIS A 72 -43.704 -9.667 6.565 1.00 0.00 C ATOM 1095 CG HIS A 72 -42.819 -9.792 7.766 1.00 0.00 C ATOM 1096 ND1 HIS A 72 -43.257 -9.557 9.052 1.00 0.00 N ATOM 1097 CD2 HIS A 72 -41.512 -10.132 7.871 1.00 0.00 C ATOM 1098 CE1 HIS A 72 -42.258 -9.744 9.896 1.00 0.00 C ATOM 1099 NE2 HIS A 72 -41.188 -10.094 9.205 1.00 0.00 N ATOM 0 H HIS A 72 -44.123 -12.069 6.157 1.00 0.00 H new ATOM 0 HA HIS A 72 -45.352 -10.263 7.809 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -43.212 -10.133 5.711 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -43.829 -8.611 6.324 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -44.204 -9.282 9.311 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -40.849 -10.386 7.057 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -42.308 -9.630 10.969 1.00 0.00 H new