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 144:sc= -0.825 USER MOD Set 1.2: A 55 CYS SG : rot -135:sc= -3.91! USER MOD Set 1.3: A 68 HIS : no HE2:sc= -4.48 X(o=-9.8,f=-9.8) USER MOD Set 1.4: A 72 HIS : no HE2:sc= -0.613 X(o=-9.8,f=-10) USER MOD Set 2.1: A 20 CYS SG : rot -176:sc= 0.247 USER MOD Set 2.2: A 25 CYS SG : rot 146:sc= -1 USER MOD Set 2.3: A 27 LYS NZ :NH3+ -142:sc= -0.095 (180deg=-1.28) USER MOD Set 2.4: A 29 TYR OH : rot 29:sc= 0.00274 USER MOD Set 2.5: A 38 HIS : no HD1:sc= -0.141 K(o=-1.2,f=-2.8) USER MOD Set 2.6: A 42 HIS : no HE2:sc= -0.234 K(o=-1.2,f=-3.1) USER MOD Set 3.1: A 18 HIS : no HE2:sc= -11.8! C(o=-11!,f=-18!) USER MOD Set 3.2: A 32 SER OG : rot -84:sc= 0.987 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= -0.0408 X(o=-0.041,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.121 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= -2.27! C(o=-2.3!,f=-2.1!) USER MOD Single : A 36 LYS NZ :NH3+ 160:sc= -0.0427 (180deg=-0.312) USER MOD Single : A 39 THR OG1 : rot 69:sc= 0.476 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -139:sc= -1.03 (180deg=-2.24!) USER MOD Single : A 49 SER OG : rot 28:sc= 0.0832 USER MOD Single : A 51 SER OG : rot -42:sc= 0.608 USER MOD Single : A 53 LYS NZ :NH3+ -139:sc= -0.157 (180deg=-1.48!) USER MOD Single : A 62 SER OG : rot 101:sc= 0.0278 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -37:sc= 0.242 USER MOD ----------------------------------------------------------------- ATOM 193 N ARG A 16 -3.873 1.635 8.995 1.00 0.00 N ATOM 194 CA ARG A 16 -4.740 0.539 9.411 1.00 0.00 C ATOM 195 C ARG A 16 -4.748 0.399 10.931 1.00 0.00 C ATOM 196 O ARG A 16 -3.764 -0.038 11.530 1.00 0.00 O ATOM 197 CB ARG A 16 -4.282 -0.773 8.771 1.00 0.00 C ATOM 198 CG ARG A 16 -2.799 -1.054 8.950 1.00 0.00 C ATOM 199 CD ARG A 16 -2.268 -1.965 7.854 1.00 0.00 C ATOM 200 NE ARG A 16 -0.811 -1.918 7.760 1.00 0.00 N ATOM 201 CZ ARG A 16 -0.002 -2.665 8.503 1.00 0.00 C ATOM 202 NH1 ARG A 16 -0.505 -3.515 9.388 1.00 0.00 N ATOM 203 NH2 ARG A 16 1.313 -2.565 8.359 1.00 0.00 N ATOM 0 HA ARG A 16 -5.753 0.764 9.078 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.853 -1.596 9.201 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.512 -0.747 7.706 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.246 -0.115 8.943 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -2.630 -1.516 9.923 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -2.586 -2.989 8.049 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -2.702 -1.673 6.898 1.00 0.00 H new ATOM 0 HE ARG A 16 -0.392 -1.276 7.087 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -1.516 -3.596 9.500 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.119 -4.087 9.957 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.703 -1.914 7.677 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.934 -3.139 8.930 1.00 0.00 H new ATOM 217 N SER A 17 -5.864 0.773 11.549 1.00 0.00 N ATOM 218 CA SER A 17 -5.998 0.694 12.999 1.00 0.00 C ATOM 219 C SER A 17 -6.739 -0.577 13.406 1.00 0.00 C ATOM 220 O SER A 17 -6.170 -1.463 14.046 1.00 0.00 O ATOM 221 CB SER A 17 -6.738 1.922 13.531 1.00 0.00 C ATOM 222 OG SER A 17 -5.830 2.945 13.901 1.00 0.00 O ATOM 0 H SER A 17 -6.688 1.134 11.068 1.00 0.00 H new ATOM 0 HA SER A 17 -4.998 0.666 13.432 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.422 2.297 12.769 1.00 0.00 H new ATOM 0 HB3 SER A 17 -7.344 1.640 14.392 1.00 0.00 H new ATOM 0 HG SER A 17 -6.328 3.719 14.236 1.00 0.00 H new ATOM 228 N HIS A 18 -8.012 -0.659 13.033 1.00 0.00 N ATOM 229 CA HIS A 18 -8.832 -1.820 13.358 1.00 0.00 C ATOM 230 C HIS A 18 -8.140 -3.110 12.931 1.00 0.00 C ATOM 231 O HIS A 18 -8.086 -3.432 11.743 1.00 0.00 O ATOM 232 CB HIS A 18 -10.199 -1.711 12.684 1.00 0.00 C ATOM 233 CG HIS A 18 -11.144 -0.790 13.389 1.00 0.00 C ATOM 234 ND1 HIS A 18 -12.483 -1.071 13.560 1.00 0.00 N ATOM 235 CD2 HIS A 18 -10.938 0.415 13.972 1.00 0.00 C ATOM 236 CE1 HIS A 18 -13.060 -0.079 14.215 1.00 0.00 C ATOM 237 NE2 HIS A 18 -12.143 0.835 14.478 1.00 0.00 N ATOM 0 H HIS A 18 -8.498 0.066 12.505 1.00 0.00 H new ATOM 0 HA HIS A 18 -8.971 -1.845 14.439 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -10.063 -1.364 11.660 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -10.647 -2.703 12.627 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -12.955 -1.914 13.232 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -10.000 0.947 14.028 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -14.103 -0.025 14.489 1.00 0.00 H new ATOM 245 N ILE A 19 -7.612 -3.845 13.903 1.00 0.00 N ATOM 246 CA ILE A 19 -6.924 -5.100 13.626 1.00 0.00 C ATOM 247 C ILE A 19 -7.908 -6.264 13.564 1.00 0.00 C ATOM 248 O ILE A 19 -8.820 -6.364 14.384 1.00 0.00 O ATOM 249 CB ILE A 19 -5.854 -5.403 14.692 1.00 0.00 C ATOM 250 CG1 ILE A 19 -5.154 -4.113 15.124 1.00 0.00 C ATOM 251 CG2 ILE A 19 -4.844 -6.407 14.157 1.00 0.00 C ATOM 252 CD1 ILE A 19 -5.813 -3.433 16.304 1.00 0.00 C ATOM 0 H ILE A 19 -7.647 -3.593 14.891 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.438 -4.986 12.657 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.343 -5.838 15.564 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.118 -4.339 15.377 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.133 -3.421 14.282 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.094 -6.611 14.921 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.356 -7.333 13.894 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.358 -5.997 13.272 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.263 -2.526 16.555 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.841 -3.176 16.048 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.810 -4.107 17.161 1.00 0.00 H new ATOM 264 N CYS A 20 -7.714 -7.142 12.587 1.00 0.00 N ATOM 265 CA CYS A 20 -8.583 -8.301 12.416 1.00 0.00 C ATOM 266 C CYS A 20 -8.452 -9.257 13.600 1.00 0.00 C ATOM 267 O CYS A 20 -7.418 -9.899 13.780 1.00 0.00 O ATOM 268 CB CYS A 20 -8.245 -9.032 11.116 1.00 0.00 C ATOM 269 SG CYS A 20 -8.999 -10.685 10.974 1.00 0.00 S ATOM 0 H CYS A 20 -6.962 -7.074 11.901 1.00 0.00 H new ATOM 0 HA CYS A 20 -9.613 -7.948 12.368 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.571 -8.422 10.273 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -7.162 -9.130 11.038 1.00 0.00 H new ATOM 0 HG CYS A 20 -8.588 -11.257 9.881 1.00 0.00 H new ATOM 274 N SER A 21 -9.508 -9.346 14.401 1.00 0.00 N ATOM 275 CA SER A 21 -9.511 -10.221 15.568 1.00 0.00 C ATOM 276 C SER A 21 -8.708 -11.490 15.297 1.00 0.00 C ATOM 277 O SER A 21 -7.844 -11.872 16.087 1.00 0.00 O ATOM 278 CB SER A 21 -10.946 -10.583 15.957 1.00 0.00 C ATOM 279 OG SER A 21 -10.964 -11.489 17.047 1.00 0.00 O ATOM 0 H SER A 21 -10.373 -8.823 14.264 1.00 0.00 H new ATOM 0 HA SER A 21 -9.043 -9.686 16.394 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.494 -9.679 16.222 1.00 0.00 H new ATOM 0 HB3 SER A 21 -11.457 -11.026 15.103 1.00 0.00 H new ATOM 0 HG SER A 21 -11.892 -11.704 17.278 1.00 0.00 H new ATOM 285 N HIS A 22 -9.001 -12.139 14.175 1.00 0.00 N ATOM 286 CA HIS A 22 -8.307 -13.366 13.798 1.00 0.00 C ATOM 287 C HIS A 22 -6.816 -13.109 13.605 1.00 0.00 C ATOM 288 O HIS A 22 -6.402 -12.310 12.765 1.00 0.00 O ATOM 289 CB HIS A 22 -8.908 -13.942 12.516 1.00 0.00 C ATOM 290 CG HIS A 22 -8.825 -15.436 12.435 1.00 0.00 C ATOM 291 ND1 HIS A 22 -9.887 -16.264 12.732 1.00 0.00 N ATOM 292 CD2 HIS A 22 -7.801 -16.249 12.088 1.00 0.00 C ATOM 293 CE1 HIS A 22 -9.518 -17.523 12.572 1.00 0.00 C ATOM 294 NE2 HIS A 22 -8.257 -17.541 12.181 1.00 0.00 N ATOM 0 H HIS A 22 -9.714 -11.836 13.511 1.00 0.00 H new ATOM 0 HA HIS A 22 -8.431 -14.088 14.605 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -9.953 -13.640 12.447 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -8.394 -13.510 11.657 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -6.809 -15.940 11.793 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.142 -18.390 12.734 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -7.710 -18.378 11.981 1.00 0.00 H new ATOM 302 N PRO A 23 -5.988 -13.801 14.402 1.00 0.00 N ATOM 303 CA PRO A 23 -4.529 -13.664 14.338 1.00 0.00 C ATOM 304 C PRO A 23 -3.948 -14.253 13.057 1.00 0.00 C ATOM 305 O PRO A 23 -3.165 -13.605 12.365 1.00 0.00 O ATOM 306 CB PRO A 23 -4.046 -14.453 15.557 1.00 0.00 C ATOM 307 CG PRO A 23 -5.126 -15.444 15.821 1.00 0.00 C ATOM 308 CD PRO A 23 -6.411 -14.770 15.427 1.00 0.00 C ATOM 0 HA PRO A 23 -4.216 -12.620 14.338 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -3.096 -14.948 15.357 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.891 -13.799 16.415 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -4.970 -16.355 15.243 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.143 -15.732 16.872 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -7.134 -15.483 15.031 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -6.883 -14.276 16.277 1.00 0.00 H new ATOM 316 N GLY A 24 -4.337 -15.487 12.749 1.00 0.00 N ATOM 317 CA GLY A 24 -3.844 -16.142 11.551 1.00 0.00 C ATOM 318 C GLY A 24 -4.008 -15.284 10.312 1.00 0.00 C ATOM 319 O GLY A 24 -3.160 -15.302 9.419 1.00 0.00 O ATOM 0 H GLY A 24 -4.984 -16.044 13.307 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.790 -16.387 11.682 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.375 -17.083 11.410 1.00 0.00 H new ATOM 323 N CYS A 25 -5.102 -14.532 10.255 1.00 0.00 N ATOM 324 CA CYS A 25 -5.376 -13.665 9.116 1.00 0.00 C ATOM 325 C CYS A 25 -4.345 -12.543 9.025 1.00 0.00 C ATOM 326 O CYS A 25 -3.654 -12.400 8.018 1.00 0.00 O ATOM 327 CB CYS A 25 -6.782 -13.073 9.226 1.00 0.00 C ATOM 328 SG CYS A 25 -7.215 -11.929 7.875 1.00 0.00 S ATOM 0 H CYS A 25 -5.814 -14.506 10.985 1.00 0.00 H new ATOM 0 HA CYS A 25 -5.312 -14.267 8.210 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -7.507 -13.887 9.245 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -6.869 -12.546 10.176 1.00 0.00 H new ATOM 0 HG CYS A 25 -8.483 -12.034 7.607 1.00 0.00 H new ATOM 333 N GLY A 26 -4.248 -11.749 10.087 1.00 0.00 N ATOM 334 CA GLY A 26 -3.300 -10.650 10.107 1.00 0.00 C ATOM 335 C GLY A 26 -3.678 -9.541 9.147 1.00 0.00 C ATOM 336 O GLY A 26 -2.863 -9.111 8.332 1.00 0.00 O ATOM 0 H GLY A 26 -4.809 -11.847 10.933 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.238 -10.246 11.118 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.309 -11.025 9.852 1.00 0.00 H new ATOM 340 N LYS A 27 -4.918 -9.075 9.242 1.00 0.00 N ATOM 341 CA LYS A 27 -5.404 -8.009 8.375 1.00 0.00 C ATOM 342 C LYS A 27 -5.917 -6.830 9.196 1.00 0.00 C ATOM 343 O LYS A 27 -6.584 -7.013 10.215 1.00 0.00 O ATOM 344 CB LYS A 27 -6.518 -8.531 7.464 1.00 0.00 C ATOM 345 CG LYS A 27 -6.640 -7.770 6.155 1.00 0.00 C ATOM 346 CD LYS A 27 -5.530 -8.144 5.186 1.00 0.00 C ATOM 347 CE LYS A 27 -5.801 -9.484 4.520 1.00 0.00 C ATOM 348 NZ LYS A 27 -5.100 -10.600 5.213 1.00 0.00 N ATOM 0 H LYS A 27 -5.606 -9.419 9.912 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.571 -7.667 7.761 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.335 -9.583 7.247 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.467 -8.476 7.997 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.608 -7.980 5.700 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.607 -6.698 6.352 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.434 -7.370 4.424 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.580 -8.186 5.718 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.874 -9.677 4.515 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.479 -9.444 3.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.751 -11.281 4.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.298 -10.222 5.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.761 -11.078 5.858 1.00 0.00 H new ATOM 362 N THR A 28 -5.602 -5.619 8.747 1.00 0.00 N ATOM 363 CA THR A 28 -6.032 -4.412 9.440 1.00 0.00 C ATOM 364 C THR A 28 -6.497 -3.347 8.453 1.00 0.00 C ATOM 365 O THR A 28 -6.015 -3.283 7.321 1.00 0.00 O ATOM 366 CB THR A 28 -4.899 -3.830 10.308 1.00 0.00 C ATOM 367 OG1 THR A 28 -4.305 -4.867 11.096 1.00 0.00 O ATOM 368 CG2 THR A 28 -5.426 -2.731 11.219 1.00 0.00 C ATOM 0 H THR A 28 -5.050 -5.449 7.906 1.00 0.00 H new ATOM 0 HA THR A 28 -6.865 -4.696 10.083 1.00 0.00 H new ATOM 0 HB THR A 28 -4.146 -3.401 9.646 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.585 -4.490 11.644 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.609 -2.335 11.822 1.00 0.00 H new ATOM 0 HG22 THR A 28 -5.852 -1.930 10.614 1.00 0.00 H new ATOM 0 HG23 THR A 28 -6.196 -3.139 11.874 1.00 0.00 H new ATOM 376 N TYR A 29 -7.435 -2.513 8.888 1.00 0.00 N ATOM 377 CA TYR A 29 -7.967 -1.451 8.042 1.00 0.00 C ATOM 378 C TYR A 29 -8.191 -0.174 8.845 1.00 0.00 C ATOM 379 O TYR A 29 -8.607 -0.221 10.004 1.00 0.00 O ATOM 380 CB TYR A 29 -9.279 -1.897 7.393 1.00 0.00 C ATOM 381 CG TYR A 29 -9.147 -3.150 6.558 1.00 0.00 C ATOM 382 CD1 TYR A 29 -9.282 -4.409 7.130 1.00 0.00 C ATOM 383 CD2 TYR A 29 -8.885 -3.075 5.195 1.00 0.00 C ATOM 384 CE1 TYR A 29 -9.161 -5.556 6.371 1.00 0.00 C ATOM 385 CE2 TYR A 29 -8.764 -4.217 4.428 1.00 0.00 C ATOM 386 CZ TYR A 29 -8.903 -5.455 5.020 1.00 0.00 C ATOM 387 OH TYR A 29 -8.782 -6.595 4.259 1.00 0.00 O ATOM 0 H TYR A 29 -7.843 -2.552 9.822 1.00 0.00 H new ATOM 0 HA TYR A 29 -7.236 -1.242 7.261 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -10.021 -2.067 8.173 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.656 -1.090 6.765 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -9.485 -4.492 8.187 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.774 -2.108 4.728 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -9.268 -6.527 6.833 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.562 -4.141 3.370 1.00 0.00 H new ATOM 0 HH TYR A 29 -9.326 -7.310 4.651 1.00 0.00 H new ATOM 397 N PHE A 30 -7.914 0.965 8.222 1.00 0.00 N ATOM 398 CA PHE A 30 -8.085 2.257 8.878 1.00 0.00 C ATOM 399 C PHE A 30 -9.552 2.506 9.214 1.00 0.00 C ATOM 400 O PHE A 30 -9.907 2.726 10.373 1.00 0.00 O ATOM 401 CB PHE A 30 -7.557 3.380 7.983 1.00 0.00 C ATOM 402 CG PHE A 30 -8.177 4.718 8.272 1.00 0.00 C ATOM 403 CD1 PHE A 30 -7.866 5.403 9.437 1.00 0.00 C ATOM 404 CD2 PHE A 30 -9.069 5.290 7.380 1.00 0.00 C ATOM 405 CE1 PHE A 30 -8.436 6.633 9.705 1.00 0.00 C ATOM 406 CE2 PHE A 30 -9.642 6.520 7.644 1.00 0.00 C ATOM 407 CZ PHE A 30 -9.324 7.193 8.807 1.00 0.00 C ATOM 0 H PHE A 30 -7.570 1.021 7.263 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.515 2.244 9.807 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -6.477 3.455 8.106 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -7.742 3.120 6.941 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.171 4.971 10.142 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -9.320 4.769 6.468 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -8.187 7.156 10.616 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -10.338 6.954 6.941 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.769 8.155 9.014 1.00 0.00 H new ATOM 417 N LYS A 31 -10.402 2.471 8.193 1.00 0.00 N ATOM 418 CA LYS A 31 -11.831 2.691 8.378 1.00 0.00 C ATOM 419 C LYS A 31 -12.390 1.766 9.454 1.00 0.00 C ATOM 420 O LYS A 31 -12.625 0.583 9.209 1.00 0.00 O ATOM 421 CB LYS A 31 -12.577 2.467 7.061 1.00 0.00 C ATOM 422 CG LYS A 31 -12.472 3.635 6.095 1.00 0.00 C ATOM 423 CD LYS A 31 -13.443 4.746 6.457 1.00 0.00 C ATOM 424 CE LYS A 31 -13.710 5.660 5.272 1.00 0.00 C ATOM 425 NZ LYS A 31 -12.661 6.708 5.131 1.00 0.00 N ATOM 0 H LYS A 31 -10.125 2.292 7.228 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.975 3.722 8.700 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.185 1.572 6.579 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -13.629 2.278 7.277 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.454 4.024 6.102 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -12.674 3.289 5.081 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -14.382 4.312 6.802 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.038 5.329 7.284 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -13.755 5.067 4.359 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -14.684 6.135 5.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.880 7.310 4.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -12.635 7.291 5.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -11.735 6.256 4.991 1.00 0.00 H new ATOM 439 N SER A 32 -12.601 2.314 10.647 1.00 0.00 N ATOM 440 CA SER A 32 -13.130 1.537 11.762 1.00 0.00 C ATOM 441 C SER A 32 -14.245 0.606 11.295 1.00 0.00 C ATOM 442 O SER A 32 -14.454 -0.465 11.864 1.00 0.00 O ATOM 443 CB SER A 32 -13.653 2.468 12.857 1.00 0.00 C ATOM 444 OG SER A 32 -12.589 3.148 13.500 1.00 0.00 O ATOM 0 H SER A 32 -12.414 3.292 10.866 1.00 0.00 H new ATOM 0 HA SER A 32 -12.320 0.931 12.167 1.00 0.00 H new ATOM 0 HB2 SER A 32 -14.343 3.193 12.424 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.216 1.891 13.591 1.00 0.00 H new ATOM 0 HG SER A 32 -12.211 2.576 14.200 1.00 0.00 H new ATOM 450 N SER A 33 -14.958 1.024 10.254 1.00 0.00 N ATOM 451 CA SER A 33 -16.054 0.231 9.711 1.00 0.00 C ATOM 452 C SER A 33 -15.525 -0.920 8.862 1.00 0.00 C ATOM 453 O SER A 33 -15.936 -2.070 9.025 1.00 0.00 O ATOM 454 CB SER A 33 -16.984 1.111 8.873 1.00 0.00 C ATOM 455 OG SER A 33 -17.827 0.325 8.051 1.00 0.00 O ATOM 0 H SER A 33 -14.796 1.907 9.770 1.00 0.00 H new ATOM 0 HA SER A 33 -16.615 -0.185 10.548 1.00 0.00 H new ATOM 0 HB2 SER A 33 -17.590 1.734 9.531 1.00 0.00 H new ATOM 0 HB3 SER A 33 -16.392 1.784 8.253 1.00 0.00 H new ATOM 0 HG SER A 33 -18.412 0.911 7.527 1.00 0.00 H new ATOM 461 N HIS A 34 -14.607 -0.603 7.953 1.00 0.00 N ATOM 462 CA HIS A 34 -14.018 -1.610 7.077 1.00 0.00 C ATOM 463 C HIS A 34 -13.918 -2.956 7.788 1.00 0.00 C ATOM 464 O HIS A 34 -14.463 -3.958 7.322 1.00 0.00 O ATOM 465 CB HIS A 34 -12.633 -1.162 6.610 1.00 0.00 C ATOM 466 CG HIS A 34 -12.655 -0.394 5.324 1.00 0.00 C ATOM 467 ND1 HIS A 34 -11.545 -0.245 4.518 1.00 0.00 N ATOM 468 CD2 HIS A 34 -13.660 0.267 4.704 1.00 0.00 C ATOM 469 CE1 HIS A 34 -11.868 0.476 3.459 1.00 0.00 C ATOM 470 NE2 HIS A 34 -13.145 0.799 3.547 1.00 0.00 N ATOM 0 H HIS A 34 -14.255 0.343 7.804 1.00 0.00 H new ATOM 0 HA HIS A 34 -14.666 -1.725 6.208 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.179 -0.544 7.385 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -11.998 -2.039 6.489 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -14.678 0.359 5.054 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -11.200 0.754 2.657 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -13.665 1.353 2.867 1.00 0.00 H new ATOM 478 N LEU A 35 -13.217 -2.973 8.916 1.00 0.00 N ATOM 479 CA LEU A 35 -13.044 -4.197 9.691 1.00 0.00 C ATOM 480 C LEU A 35 -14.337 -5.004 9.730 1.00 0.00 C ATOM 481 O LEU A 35 -14.359 -6.181 9.368 1.00 0.00 O ATOM 482 CB LEU A 35 -12.594 -3.863 11.115 1.00 0.00 C ATOM 483 CG LEU A 35 -12.294 -5.058 12.020 1.00 0.00 C ATOM 484 CD1 LEU A 35 -10.929 -5.646 11.693 1.00 0.00 C ATOM 485 CD2 LEU A 35 -12.362 -4.648 13.485 1.00 0.00 C ATOM 0 H LEU A 35 -12.759 -2.153 9.315 1.00 0.00 H new ATOM 0 HA LEU A 35 -12.276 -4.800 9.206 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -11.699 -3.243 11.056 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.369 -3.260 11.588 1.00 0.00 H new ATOM 0 HG LEU A 35 -13.049 -5.823 11.841 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -10.733 -6.496 12.347 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -10.915 -5.977 10.654 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -10.161 -4.887 11.843 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.146 -5.511 14.115 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.629 -3.865 13.678 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.360 -4.274 13.712 1.00 0.00 H new ATOM 497 N LYS A 36 -15.415 -4.363 10.168 1.00 0.00 N ATOM 498 CA LYS A 36 -16.715 -5.020 10.252 1.00 0.00 C ATOM 499 C LYS A 36 -17.040 -5.749 8.953 1.00 0.00 C ATOM 500 O LYS A 36 -17.546 -6.871 8.969 1.00 0.00 O ATOM 501 CB LYS A 36 -17.809 -3.994 10.560 1.00 0.00 C ATOM 502 CG LYS A 36 -17.848 -3.568 12.018 1.00 0.00 C ATOM 503 CD LYS A 36 -19.193 -2.963 12.385 1.00 0.00 C ATOM 504 CE LYS A 36 -20.188 -4.031 12.812 1.00 0.00 C ATOM 505 NZ LYS A 36 -19.818 -4.642 14.118 1.00 0.00 N ATOM 0 H LYS A 36 -15.415 -3.389 10.471 1.00 0.00 H new ATOM 0 HA LYS A 36 -16.673 -5.752 11.059 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -17.656 -3.113 9.936 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -18.777 -4.414 10.286 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -17.649 -4.430 12.655 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -17.057 -2.842 12.207 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -19.061 -2.244 13.193 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -19.591 -2.414 11.532 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -21.183 -3.592 12.885 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -20.237 -4.807 12.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -20.654 -5.097 14.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -19.074 -5.353 13.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -19.468 -3.903 14.760 1.00 0.00 H new ATOM 519 N ALA A 37 -16.745 -5.106 7.828 1.00 0.00 N ATOM 520 CA ALA A 37 -17.002 -5.695 6.520 1.00 0.00 C ATOM 521 C ALA A 37 -16.037 -6.840 6.234 1.00 0.00 C ATOM 522 O ALA A 37 -16.417 -7.852 5.642 1.00 0.00 O ATOM 523 CB ALA A 37 -16.902 -4.635 5.433 1.00 0.00 C ATOM 0 H ALA A 37 -16.327 -4.176 7.797 1.00 0.00 H new ATOM 0 HA ALA A 37 -18.014 -6.100 6.525 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -17.096 -5.090 4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.636 -3.852 5.620 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -15.901 -4.203 5.437 1.00 0.00 H new ATOM 529 N HIS A 38 -14.789 -6.675 6.658 1.00 0.00 N ATOM 530 CA HIS A 38 -13.769 -7.697 6.447 1.00 0.00 C ATOM 531 C HIS A 38 -14.008 -8.900 7.353 1.00 0.00 C ATOM 532 O HIS A 38 -13.568 -10.012 7.057 1.00 0.00 O ATOM 533 CB HIS A 38 -12.377 -7.118 6.705 1.00 0.00 C ATOM 534 CG HIS A 38 -11.313 -8.162 6.857 1.00 0.00 C ATOM 535 ND1 HIS A 38 -10.564 -8.633 5.800 1.00 0.00 N ATOM 536 CD2 HIS A 38 -10.874 -8.826 7.952 1.00 0.00 C ATOM 537 CE1 HIS A 38 -9.710 -9.541 6.237 1.00 0.00 C ATOM 538 NE2 HIS A 38 -9.879 -9.677 7.541 1.00 0.00 N ATOM 0 H HIS A 38 -14.459 -5.844 7.149 1.00 0.00 H new ATOM 0 HA HIS A 38 -13.831 -8.028 5.410 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -12.110 -6.456 5.882 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.408 -6.508 7.608 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -11.239 -8.708 8.962 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -8.996 -10.080 5.632 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -9.355 -10.311 8.144 1.00 0.00 H new ATOM 546 N THR A 39 -14.709 -8.671 8.460 1.00 0.00 N ATOM 547 CA THR A 39 -15.006 -9.735 9.410 1.00 0.00 C ATOM 548 C THR A 39 -16.269 -10.491 9.013 1.00 0.00 C ATOM 549 O THR A 39 -16.409 -11.679 9.300 1.00 0.00 O ATOM 550 CB THR A 39 -15.180 -9.182 10.837 1.00 0.00 C ATOM 551 OG1 THR A 39 -14.006 -8.461 11.230 1.00 0.00 O ATOM 552 CG2 THR A 39 -15.445 -10.307 11.825 1.00 0.00 C ATOM 0 H THR A 39 -15.081 -7.758 8.720 1.00 0.00 H new ATOM 0 HA THR A 39 -14.157 -10.418 9.394 1.00 0.00 H new ATOM 0 HB THR A 39 -16.037 -8.509 10.840 1.00 0.00 H new ATOM 0 HG1 THR A 39 -13.937 -7.637 10.704 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.564 -9.892 12.826 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.355 -10.835 11.540 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.606 -11.002 11.818 1.00 0.00 H new ATOM 560 N ARG A 40 -17.186 -9.794 8.349 1.00 0.00 N ATOM 561 CA ARG A 40 -18.437 -10.400 7.913 1.00 0.00 C ATOM 562 C ARG A 40 -18.188 -11.761 7.268 1.00 0.00 C ATOM 563 O ARG A 40 -18.828 -12.752 7.616 1.00 0.00 O ATOM 564 CB ARG A 40 -19.156 -9.480 6.924 1.00 0.00 C ATOM 565 CG ARG A 40 -20.065 -8.460 7.591 1.00 0.00 C ATOM 566 CD ARG A 40 -21.076 -7.887 6.610 1.00 0.00 C ATOM 567 NE ARG A 40 -21.967 -8.915 6.081 1.00 0.00 N ATOM 568 CZ ARG A 40 -23.183 -8.662 5.611 1.00 0.00 C ATOM 569 NH1 ARG A 40 -23.650 -7.421 5.603 1.00 0.00 N ATOM 570 NH2 ARG A 40 -23.936 -9.651 5.146 1.00 0.00 N ATOM 0 H ARG A 40 -17.085 -8.810 8.102 1.00 0.00 H new ATOM 0 HA ARG A 40 -19.067 -10.543 8.791 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -18.413 -8.955 6.324 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -19.747 -10.088 6.239 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -20.590 -8.929 8.424 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -19.463 -7.652 8.008 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -21.666 -7.116 7.106 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -20.549 -7.405 5.786 1.00 0.00 H new ATOM 0 HE ARG A 40 -21.638 -9.880 6.072 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -23.075 -6.657 5.959 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -24.584 -7.230 5.241 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -23.581 -10.607 5.149 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -24.870 -9.455 4.785 1.00 0.00 H new ATOM 584 N THR A 41 -17.252 -11.799 6.325 1.00 0.00 N ATOM 585 CA THR A 41 -16.918 -13.036 5.631 1.00 0.00 C ATOM 586 C THR A 41 -16.374 -14.081 6.598 1.00 0.00 C ATOM 587 O THR A 41 -16.778 -15.244 6.564 1.00 0.00 O ATOM 588 CB THR A 41 -15.881 -12.794 4.517 1.00 0.00 C ATOM 589 OG1 THR A 41 -15.638 -14.009 3.800 1.00 0.00 O ATOM 590 CG2 THR A 41 -14.575 -12.273 5.099 1.00 0.00 C ATOM 0 H THR A 41 -16.712 -10.987 6.025 1.00 0.00 H new ATOM 0 HA THR A 41 -17.841 -13.405 5.184 1.00 0.00 H new ATOM 0 HB THR A 41 -16.282 -12.045 3.834 1.00 0.00 H new ATOM 0 HG1 THR A 41 -14.979 -13.846 3.093 1.00 0.00 H new ATOM 0 HG21 THR A 41 -13.858 -12.109 4.295 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.758 -11.333 5.619 1.00 0.00 H new ATOM 0 HG23 THR A 41 -14.172 -13.003 5.801 1.00 0.00 H new ATOM 598 N HIS A 42 -15.454 -13.659 7.460 1.00 0.00 N ATOM 599 CA HIS A 42 -14.854 -14.558 8.439 1.00 0.00 C ATOM 600 C HIS A 42 -15.923 -15.398 9.132 1.00 0.00 C ATOM 601 O HIS A 42 -15.809 -16.622 9.215 1.00 0.00 O ATOM 602 CB HIS A 42 -14.063 -13.762 9.478 1.00 0.00 C ATOM 603 CG HIS A 42 -12.655 -13.467 9.060 1.00 0.00 C ATOM 604 ND1 HIS A 42 -11.770 -14.444 8.655 1.00 0.00 N ATOM 605 CD2 HIS A 42 -11.981 -12.296 8.986 1.00 0.00 C ATOM 606 CE1 HIS A 42 -10.612 -13.885 8.350 1.00 0.00 C ATOM 607 NE2 HIS A 42 -10.714 -12.583 8.542 1.00 0.00 N ATOM 0 H HIS A 42 -15.108 -12.700 7.500 1.00 0.00 H new ATOM 0 HA HIS A 42 -14.175 -15.228 7.911 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -14.580 -12.823 9.675 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -14.046 -14.319 10.415 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -11.977 -15.441 8.600 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.368 -11.318 9.231 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -9.732 -14.405 8.003 1.00 0.00 H new ATOM 651 N LYS A 46 -25.241 -15.257 9.300 1.00 0.00 N ATOM 652 CA LYS A 46 -25.808 -15.123 10.637 1.00 0.00 C ATOM 653 C LYS A 46 -24.898 -14.290 11.534 1.00 0.00 C ATOM 654 O LYS A 46 -23.849 -14.745 11.987 1.00 0.00 O ATOM 655 CB LYS A 46 -26.032 -16.503 11.259 1.00 0.00 C ATOM 656 CG LYS A 46 -24.873 -17.462 11.044 1.00 0.00 C ATOM 657 CD LYS A 46 -25.331 -18.910 11.095 1.00 0.00 C ATOM 658 CE LYS A 46 -24.350 -19.830 10.386 1.00 0.00 C ATOM 659 NZ LYS A 46 -24.597 -21.262 10.711 1.00 0.00 N ATOM 0 HA LYS A 46 -26.766 -14.612 10.548 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -26.203 -16.387 12.329 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -26.937 -16.940 10.837 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -24.407 -17.261 10.079 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -24.113 -17.293 11.807 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -25.439 -19.222 12.134 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -26.314 -18.998 10.632 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -24.429 -19.684 9.309 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -23.332 -19.564 10.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -23.688 -21.748 10.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -25.162 -21.328 11.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -25.114 -21.711 9.929 1.00 0.00 H new ATOM 673 N PRO A 47 -25.308 -13.040 11.798 1.00 0.00 N ATOM 674 CA PRO A 47 -24.545 -12.120 12.644 1.00 0.00 C ATOM 675 C PRO A 47 -24.554 -12.537 14.111 1.00 0.00 C ATOM 676 O PRO A 47 -23.621 -12.239 14.857 1.00 0.00 O ATOM 677 CB PRO A 47 -25.275 -10.786 12.464 1.00 0.00 C ATOM 678 CG PRO A 47 -26.666 -11.162 12.088 1.00 0.00 C ATOM 679 CD PRO A 47 -26.550 -12.432 11.291 1.00 0.00 C ATOM 0 HA PRO A 47 -23.492 -12.088 12.364 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -25.258 -10.199 13.382 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -24.806 -10.180 11.689 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -27.283 -11.312 12.974 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -27.138 -10.374 11.501 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -27.409 -13.084 11.447 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -26.492 -12.231 10.221 1.00 0.00 H new ATOM 687 N PHE A 48 -25.613 -13.229 14.518 1.00 0.00 N ATOM 688 CA PHE A 48 -25.742 -13.688 15.897 1.00 0.00 C ATOM 689 C PHE A 48 -24.968 -14.985 16.113 1.00 0.00 C ATOM 690 O PHE A 48 -25.203 -15.707 17.083 1.00 0.00 O ATOM 691 CB PHE A 48 -27.216 -13.897 16.249 1.00 0.00 C ATOM 692 CG PHE A 48 -28.045 -12.649 16.125 1.00 0.00 C ATOM 693 CD1 PHE A 48 -28.507 -12.230 14.887 1.00 0.00 C ATOM 694 CD2 PHE A 48 -28.361 -11.898 17.244 1.00 0.00 C ATOM 695 CE1 PHE A 48 -29.268 -11.083 14.769 1.00 0.00 C ATOM 696 CE2 PHE A 48 -29.123 -10.750 17.132 1.00 0.00 C ATOM 697 CZ PHE A 48 -29.579 -10.343 15.893 1.00 0.00 C ATOM 0 H PHE A 48 -26.394 -13.484 13.913 1.00 0.00 H new ATOM 0 HA PHE A 48 -25.323 -12.922 16.550 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -27.631 -14.666 15.598 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -27.288 -14.271 17.270 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -28.269 -12.806 14.005 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -28.008 -12.212 18.215 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -29.619 -10.765 13.799 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -29.362 -10.172 18.012 1.00 0.00 H new ATOM 0 HZ PHE A 48 -30.177 -9.448 15.804 1.00 0.00 H new ATOM 707 N SER A 49 -24.043 -15.274 15.203 1.00 0.00 N ATOM 708 CA SER A 49 -23.237 -16.486 15.291 1.00 0.00 C ATOM 709 C SER A 49 -22.473 -16.534 16.611 1.00 0.00 C ATOM 710 O SER A 49 -21.770 -15.589 16.970 1.00 0.00 O ATOM 711 CB SER A 49 -22.257 -16.558 14.119 1.00 0.00 C ATOM 712 OG SER A 49 -21.516 -15.355 13.998 1.00 0.00 O ATOM 0 H SER A 49 -23.833 -14.686 14.397 1.00 0.00 H new ATOM 0 HA SER A 49 -23.908 -17.344 15.247 1.00 0.00 H new ATOM 0 HB2 SER A 49 -21.575 -17.396 14.262 1.00 0.00 H new ATOM 0 HB3 SER A 49 -22.804 -16.746 13.195 1.00 0.00 H new ATOM 0 HG SER A 49 -21.440 -14.928 14.877 1.00 0.00 H new ATOM 718 N CYS A 50 -22.616 -17.643 17.330 1.00 0.00 N ATOM 719 CA CYS A 50 -21.941 -17.817 18.610 1.00 0.00 C ATOM 720 C CYS A 50 -20.445 -17.547 18.478 1.00 0.00 C ATOM 721 O CYS A 50 -19.858 -17.753 17.415 1.00 0.00 O ATOM 722 CB CYS A 50 -22.169 -19.234 19.142 1.00 0.00 C ATOM 723 SG CYS A 50 -21.625 -19.478 20.863 1.00 0.00 S ATOM 0 H CYS A 50 -23.194 -18.435 17.047 1.00 0.00 H new ATOM 0 HA CYS A 50 -22.361 -17.099 19.314 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -23.231 -19.471 19.071 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -21.641 -19.940 18.502 1.00 0.00 H new ATOM 0 HG CYS A 50 -22.447 -20.283 21.468 1.00 0.00 H new ATOM 728 N SER A 51 -19.834 -17.085 19.565 1.00 0.00 N ATOM 729 CA SER A 51 -18.407 -16.784 19.570 1.00 0.00 C ATOM 730 C SER A 51 -17.646 -17.774 20.445 1.00 0.00 C ATOM 731 O SER A 51 -16.506 -17.523 20.836 1.00 0.00 O ATOM 732 CB SER A 51 -18.168 -15.356 20.066 1.00 0.00 C ATOM 733 OG SER A 51 -16.816 -14.972 19.883 1.00 0.00 O ATOM 0 H SER A 51 -20.305 -16.911 20.453 1.00 0.00 H new ATOM 0 HA SER A 51 -18.038 -16.872 18.548 1.00 0.00 H new ATOM 0 HB2 SER A 51 -18.821 -14.667 19.530 1.00 0.00 H new ATOM 0 HB3 SER A 51 -18.430 -15.286 21.122 1.00 0.00 H new ATOM 0 HG SER A 51 -16.228 -15.716 20.131 1.00 0.00 H new ATOM 739 N TRP A 52 -18.284 -18.898 20.749 1.00 0.00 N ATOM 740 CA TRP A 52 -17.668 -19.926 21.580 1.00 0.00 C ATOM 741 C TRP A 52 -16.803 -20.860 20.738 1.00 0.00 C ATOM 742 O TRP A 52 -16.835 -20.811 19.508 1.00 0.00 O ATOM 743 CB TRP A 52 -18.742 -20.731 22.313 1.00 0.00 C ATOM 744 CG TRP A 52 -18.311 -21.200 23.670 1.00 0.00 C ATOM 745 CD1 TRP A 52 -18.433 -22.461 24.177 1.00 0.00 C ATOM 746 CD2 TRP A 52 -17.688 -20.412 24.691 1.00 0.00 C ATOM 747 NE1 TRP A 52 -17.925 -22.505 25.453 1.00 0.00 N ATOM 748 CE2 TRP A 52 -17.462 -21.262 25.792 1.00 0.00 C ATOM 749 CE3 TRP A 52 -17.300 -19.073 24.782 1.00 0.00 C ATOM 750 CZ2 TRP A 52 -16.865 -20.813 26.966 1.00 0.00 C ATOM 751 CZ3 TRP A 52 -16.708 -18.629 25.949 1.00 0.00 C ATOM 752 CH2 TRP A 52 -16.494 -19.497 27.029 1.00 0.00 C ATOM 0 H TRP A 52 -19.228 -19.121 20.433 1.00 0.00 H new ATOM 0 HA TRP A 52 -17.031 -19.431 22.313 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -19.638 -20.119 22.416 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -19.014 -21.595 21.707 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -18.865 -23.301 23.653 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -17.897 -23.331 26.051 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -17.460 -18.397 23.955 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -16.700 -21.480 27.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -16.405 -17.596 26.031 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -16.028 -19.120 27.927 1.00 0.00 H new ATOM 763 N LYS A 53 -16.032 -21.708 21.408 1.00 0.00 N ATOM 764 CA LYS A 53 -15.159 -22.654 20.722 1.00 0.00 C ATOM 765 C LYS A 53 -15.812 -24.030 20.632 1.00 0.00 C ATOM 766 O LYS A 53 -16.193 -24.477 19.551 1.00 0.00 O ATOM 767 CB LYS A 53 -13.818 -22.762 21.450 1.00 0.00 C ATOM 768 CG LYS A 53 -12.709 -23.356 20.599 1.00 0.00 C ATOM 769 CD LYS A 53 -11.409 -23.471 21.376 1.00 0.00 C ATOM 770 CE LYS A 53 -11.404 -24.700 22.273 1.00 0.00 C ATOM 771 NZ LYS A 53 -11.946 -24.400 23.629 1.00 0.00 N ATOM 0 H LYS A 53 -15.993 -21.760 22.426 1.00 0.00 H new ATOM 0 HA LYS A 53 -14.988 -22.285 19.711 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -13.515 -21.770 21.785 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.947 -23.374 22.342 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -13.010 -24.342 20.244 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -12.553 -22.734 19.718 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -10.571 -23.523 20.681 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.265 -22.576 21.982 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.997 -25.489 21.811 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -10.386 -25.079 22.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.370 -24.883 24.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.917 -23.374 23.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -12.929 -24.734 23.692 1.00 0.00 H new ATOM 785 N GLY A 54 -15.940 -24.695 21.775 1.00 0.00 N ATOM 786 CA GLY A 54 -16.549 -26.013 21.802 1.00 0.00 C ATOM 787 C GLY A 54 -17.903 -26.039 21.122 1.00 0.00 C ATOM 788 O GLY A 54 -18.154 -26.878 20.256 1.00 0.00 O ATOM 0 H GLY A 54 -15.633 -24.346 22.683 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -15.886 -26.726 21.312 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -16.659 -26.338 22.837 1.00 0.00 H new ATOM 792 N CYS A 55 -18.780 -25.121 21.515 1.00 0.00 N ATOM 793 CA CYS A 55 -20.116 -25.044 20.937 1.00 0.00 C ATOM 794 C CYS A 55 -20.047 -24.915 19.419 1.00 0.00 C ATOM 795 O CYS A 55 -20.449 -25.822 18.691 1.00 0.00 O ATOM 796 CB CYS A 55 -20.880 -23.856 21.526 1.00 0.00 C ATOM 797 SG CYS A 55 -22.266 -23.277 20.495 1.00 0.00 S ATOM 0 H CYS A 55 -18.589 -24.420 22.231 1.00 0.00 H new ATOM 0 HA CYS A 55 -20.644 -25.966 21.181 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -21.263 -24.135 22.507 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -20.185 -23.030 21.678 1.00 0.00 H new ATOM 0 HG CYS A 55 -22.243 -21.979 20.426 1.00 0.00 H new ATOM 802 N GLU A 56 -19.536 -23.782 18.949 1.00 0.00 N ATOM 803 CA GLU A 56 -19.414 -23.536 17.517 1.00 0.00 C ATOM 804 C GLU A 56 -20.776 -23.618 16.834 1.00 0.00 C ATOM 805 O GLU A 56 -20.921 -24.251 15.787 1.00 0.00 O ATOM 806 CB GLU A 56 -18.452 -24.541 16.883 1.00 0.00 C ATOM 807 CG GLU A 56 -18.103 -24.223 15.439 1.00 0.00 C ATOM 808 CD GLU A 56 -16.833 -24.913 14.979 1.00 0.00 C ATOM 809 OE1 GLU A 56 -16.582 -26.052 15.427 1.00 0.00 O ATOM 810 OE2 GLU A 56 -16.089 -24.314 14.175 1.00 0.00 O ATOM 0 H GLU A 56 -19.200 -23.020 19.538 1.00 0.00 H new ATOM 0 HA GLU A 56 -19.017 -22.530 17.380 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.535 -24.573 17.471 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.896 -25.535 16.930 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.929 -24.524 14.795 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.987 -23.145 15.326 1.00 0.00 H new ATOM 817 N ARG A 57 -21.773 -22.976 17.433 1.00 0.00 N ATOM 818 CA ARG A 57 -23.124 -22.977 16.885 1.00 0.00 C ATOM 819 C ARG A 57 -23.567 -21.562 16.527 1.00 0.00 C ATOM 820 O ARG A 57 -23.783 -20.728 17.406 1.00 0.00 O ATOM 821 CB ARG A 57 -24.102 -23.592 17.885 1.00 0.00 C ATOM 822 CG ARG A 57 -23.701 -24.981 18.357 1.00 0.00 C ATOM 823 CD ARG A 57 -24.303 -26.064 17.475 1.00 0.00 C ATOM 824 NE ARG A 57 -23.558 -27.317 17.562 1.00 0.00 N ATOM 825 CZ ARG A 57 -23.926 -28.434 16.944 1.00 0.00 C ATOM 826 NH1 ARG A 57 -25.023 -28.454 16.199 1.00 0.00 N ATOM 827 NH2 ARG A 57 -23.196 -29.535 17.071 1.00 0.00 N ATOM 0 H ARG A 57 -21.671 -22.448 18.299 1.00 0.00 H new ATOM 0 HA ARG A 57 -23.120 -23.578 15.976 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -24.185 -22.934 18.750 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -25.090 -23.644 17.428 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -22.615 -25.069 18.352 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -24.028 -25.125 19.387 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -25.338 -26.237 17.769 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -24.318 -25.722 16.440 1.00 0.00 H new ATOM 0 HE ARG A 57 -22.709 -27.336 18.128 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -25.587 -27.610 16.099 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -25.303 -29.313 15.726 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -22.352 -29.524 17.643 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -23.479 -30.392 16.596 1.00 0.00 H new ATOM 841 N ARG A 58 -23.700 -21.298 15.231 1.00 0.00 N ATOM 842 CA ARG A 58 -24.116 -19.983 14.757 1.00 0.00 C ATOM 843 C ARG A 58 -25.628 -19.931 14.559 1.00 0.00 C ATOM 844 O ARG A 58 -26.288 -20.965 14.459 1.00 0.00 O ATOM 845 CB ARG A 58 -23.407 -19.643 13.445 1.00 0.00 C ATOM 846 CG ARG A 58 -21.902 -19.850 13.495 1.00 0.00 C ATOM 847 CD ARG A 58 -21.533 -21.312 13.303 1.00 0.00 C ATOM 848 NE ARG A 58 -20.168 -21.473 12.809 1.00 0.00 N ATOM 849 CZ ARG A 58 -19.748 -22.544 12.144 1.00 0.00 C ATOM 850 NH1 ARG A 58 -20.583 -23.542 11.894 1.00 0.00 N ATOM 851 NH2 ARG A 58 -18.490 -22.616 11.727 1.00 0.00 N ATOM 0 H ARG A 58 -23.526 -21.977 14.490 1.00 0.00 H new ATOM 0 HA ARG A 58 -23.840 -19.247 15.512 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -23.823 -20.258 12.647 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -23.614 -18.604 13.188 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -21.425 -19.249 12.721 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -21.517 -19.500 14.453 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -21.640 -21.840 14.251 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -22.229 -21.772 12.601 1.00 0.00 H new ATOM 0 HE ARG A 58 -19.500 -20.722 12.984 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -21.551 -23.489 12.212 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -20.258 -24.363 11.383 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -17.845 -21.849 11.917 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -18.168 -23.438 11.217 1.00 0.00 H new ATOM 865 N PHE A 59 -26.170 -18.719 14.505 1.00 0.00 N ATOM 866 CA PHE A 59 -27.604 -18.530 14.320 1.00 0.00 C ATOM 867 C PHE A 59 -27.894 -17.195 13.641 1.00 0.00 C ATOM 868 O PHE A 59 -27.428 -16.146 14.084 1.00 0.00 O ATOM 869 CB PHE A 59 -28.325 -18.596 15.668 1.00 0.00 C ATOM 870 CG PHE A 59 -27.781 -19.651 16.589 1.00 0.00 C ATOM 871 CD1 PHE A 59 -28.262 -20.950 16.537 1.00 0.00 C ATOM 872 CD2 PHE A 59 -26.789 -19.344 17.506 1.00 0.00 C ATOM 873 CE1 PHE A 59 -27.763 -21.923 17.382 1.00 0.00 C ATOM 874 CE2 PHE A 59 -26.286 -20.313 18.353 1.00 0.00 C ATOM 875 CZ PHE A 59 -26.774 -21.603 18.292 1.00 0.00 C ATOM 0 H PHE A 59 -25.638 -17.853 14.587 1.00 0.00 H new ATOM 0 HA PHE A 59 -27.971 -19.331 13.678 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -28.252 -17.625 16.158 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -29.384 -18.787 15.495 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -29.036 -21.205 15.828 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -26.405 -18.336 17.559 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -28.145 -22.932 17.331 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -25.511 -20.061 19.062 1.00 0.00 H new ATOM 0 HZ PHE A 59 -26.383 -22.361 18.955 1.00 0.00 H new ATOM 885 N ALA A 60 -28.666 -17.244 12.561 1.00 0.00 N ATOM 886 CA ALA A 60 -29.021 -16.040 11.819 1.00 0.00 C ATOM 887 C ALA A 60 -30.048 -15.208 12.581 1.00 0.00 C ATOM 888 O ALA A 60 -30.106 -13.988 12.434 1.00 0.00 O ATOM 889 CB ALA A 60 -29.551 -16.405 10.441 1.00 0.00 C ATOM 0 H ALA A 60 -29.058 -18.105 12.180 1.00 0.00 H new ATOM 0 HA ALA A 60 -28.120 -15.438 11.701 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -29.812 -15.496 9.899 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -28.785 -16.949 9.889 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -30.437 -17.032 10.546 1.00 0.00 H new ATOM 895 N ARG A 61 -30.858 -15.878 13.394 1.00 0.00 N ATOM 896 CA ARG A 61 -31.886 -15.202 14.177 1.00 0.00 C ATOM 897 C ARG A 61 -31.296 -14.615 15.457 1.00 0.00 C ATOM 898 O ARG A 61 -30.225 -15.026 15.904 1.00 0.00 O ATOM 899 CB ARG A 61 -33.016 -16.172 14.522 1.00 0.00 C ATOM 900 CG ARG A 61 -33.928 -16.487 13.348 1.00 0.00 C ATOM 901 CD ARG A 61 -35.073 -15.490 13.249 1.00 0.00 C ATOM 902 NE ARG A 61 -36.160 -15.986 12.409 1.00 0.00 N ATOM 903 CZ ARG A 61 -36.767 -15.252 11.485 1.00 0.00 C ATOM 904 NH1 ARG A 61 -36.397 -13.995 11.281 1.00 0.00 N ATOM 905 NH2 ARG A 61 -37.749 -15.775 10.760 1.00 0.00 N ATOM 0 H ARG A 61 -30.822 -16.889 13.528 1.00 0.00 H new ATOM 0 HA ARG A 61 -32.288 -14.387 13.575 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -32.585 -17.101 14.896 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -33.612 -15.749 15.331 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -33.351 -16.473 12.423 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -34.330 -17.494 13.458 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -35.455 -15.276 14.247 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -34.701 -14.550 12.842 1.00 0.00 H new ATOM 0 HE ARG A 61 -36.469 -16.949 12.540 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -35.643 -13.589 11.835 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -36.866 -13.434 10.570 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -38.037 -16.741 10.913 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -38.215 -15.210 10.050 1.00 0.00 H new ATOM 919 N SER A 62 -32.002 -13.651 16.040 1.00 0.00 N ATOM 920 CA SER A 62 -31.545 -13.005 17.265 1.00 0.00 C ATOM 921 C SER A 62 -31.933 -13.828 18.490 1.00 0.00 C ATOM 922 O SER A 62 -31.072 -14.341 19.205 1.00 0.00 O ATOM 923 CB SER A 62 -32.136 -11.598 17.374 1.00 0.00 C ATOM 924 OG SER A 62 -33.546 -11.625 17.242 1.00 0.00 O ATOM 0 H SER A 62 -32.891 -13.301 15.684 1.00 0.00 H new ATOM 0 HA SER A 62 -30.458 -12.934 17.226 1.00 0.00 H new ATOM 0 HB2 SER A 62 -31.866 -11.160 18.335 1.00 0.00 H new ATOM 0 HB3 SER A 62 -31.708 -10.959 16.601 1.00 0.00 H new ATOM 0 HG SER A 62 -33.959 -11.562 18.129 1.00 0.00 H new ATOM 930 N ASP A 63 -33.235 -13.950 18.725 1.00 0.00 N ATOM 931 CA ASP A 63 -33.739 -14.711 19.862 1.00 0.00 C ATOM 932 C ASP A 63 -32.921 -15.983 20.070 1.00 0.00 C ATOM 933 O ASP A 63 -32.498 -16.283 21.186 1.00 0.00 O ATOM 934 CB ASP A 63 -35.212 -15.066 19.653 1.00 0.00 C ATOM 935 CG ASP A 63 -36.112 -13.848 19.695 1.00 0.00 C ATOM 936 OD1 ASP A 63 -36.069 -13.113 20.704 1.00 0.00 O ATOM 937 OD2 ASP A 63 -36.861 -13.629 18.719 1.00 0.00 O ATOM 0 H ASP A 63 -33.961 -13.531 18.143 1.00 0.00 H new ATOM 0 HA ASP A 63 -33.646 -14.090 20.753 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -35.329 -15.568 18.692 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -35.525 -15.772 20.422 1.00 0.00 H new ATOM 942 N GLU A 64 -32.704 -16.723 18.989 1.00 0.00 N ATOM 943 CA GLU A 64 -31.937 -17.963 19.054 1.00 0.00 C ATOM 944 C GLU A 64 -30.694 -17.789 19.921 1.00 0.00 C ATOM 945 O GLU A 64 -30.480 -18.536 20.877 1.00 0.00 O ATOM 946 CB GLU A 64 -31.534 -18.415 17.649 1.00 0.00 C ATOM 947 CG GLU A 64 -32.694 -18.949 16.825 1.00 0.00 C ATOM 948 CD GLU A 64 -32.234 -19.762 15.630 1.00 0.00 C ATOM 949 OE1 GLU A 64 -31.429 -19.238 14.832 1.00 0.00 O ATOM 950 OE2 GLU A 64 -32.680 -20.920 15.493 1.00 0.00 O ATOM 0 H GLU A 64 -33.047 -16.487 18.058 1.00 0.00 H new ATOM 0 HA GLU A 64 -32.569 -18.728 19.505 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -31.081 -17.575 17.122 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -30.771 -19.189 17.730 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -33.330 -19.568 17.458 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -33.304 -18.114 16.479 1.00 0.00 H new ATOM 957 N LEU A 65 -29.877 -16.798 19.581 1.00 0.00 N ATOM 958 CA LEU A 65 -28.653 -16.525 20.327 1.00 0.00 C ATOM 959 C LEU A 65 -28.968 -16.160 21.774 1.00 0.00 C ATOM 960 O LEU A 65 -28.357 -16.685 22.705 1.00 0.00 O ATOM 961 CB LEU A 65 -27.869 -15.393 19.662 1.00 0.00 C ATOM 962 CG LEU A 65 -26.471 -15.125 20.222 1.00 0.00 C ATOM 963 CD1 LEU A 65 -25.584 -16.348 20.050 1.00 0.00 C ATOM 964 CD2 LEU A 65 -25.849 -13.913 19.545 1.00 0.00 C ATOM 0 H LEU A 65 -30.040 -16.170 18.794 1.00 0.00 H new ATOM 0 HA LEU A 65 -28.045 -17.430 20.324 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -27.776 -15.618 18.600 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -28.453 -14.476 19.744 1.00 0.00 H new ATOM 0 HG LEU A 65 -26.561 -14.914 21.288 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -24.594 -16.139 20.454 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -26.022 -17.193 20.582 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -25.500 -16.590 18.991 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -24.855 -13.737 19.956 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -25.772 -14.095 18.473 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -26.474 -13.037 19.720 1.00 0.00 H new ATOM 976 N SER A 66 -29.926 -15.257 21.956 1.00 0.00 N ATOM 977 CA SER A 66 -30.322 -14.819 23.289 1.00 0.00 C ATOM 978 C SER A 66 -30.596 -16.017 24.195 1.00 0.00 C ATOM 979 O SER A 66 -30.035 -16.125 25.285 1.00 0.00 O ATOM 980 CB SER A 66 -31.565 -13.931 23.210 1.00 0.00 C ATOM 981 OG SER A 66 -31.229 -12.621 22.786 1.00 0.00 O ATOM 0 H SER A 66 -30.443 -14.814 21.196 1.00 0.00 H new ATOM 0 HA SER A 66 -29.500 -14.243 23.714 1.00 0.00 H new ATOM 0 HB2 SER A 66 -32.284 -14.368 22.517 1.00 0.00 H new ATOM 0 HB3 SER A 66 -32.048 -13.888 24.186 1.00 0.00 H new ATOM 0 HG SER A 66 -32.040 -12.073 22.742 1.00 0.00 H new ATOM 987 N ARG A 67 -31.463 -16.913 23.734 1.00 0.00 N ATOM 988 CA ARG A 67 -31.812 -18.102 24.501 1.00 0.00 C ATOM 989 C ARG A 67 -30.691 -19.135 24.446 1.00 0.00 C ATOM 990 O ARG A 67 -30.527 -19.938 25.364 1.00 0.00 O ATOM 991 CB ARG A 67 -33.110 -18.714 23.970 1.00 0.00 C ATOM 992 CG ARG A 67 -33.922 -19.436 25.033 1.00 0.00 C ATOM 993 CD ARG A 67 -34.633 -18.457 25.954 1.00 0.00 C ATOM 994 NE ARG A 67 -35.623 -17.654 25.240 1.00 0.00 N ATOM 995 CZ ARG A 67 -36.672 -17.087 25.827 1.00 0.00 C ATOM 996 NH1 ARG A 67 -36.863 -17.233 27.130 1.00 0.00 N ATOM 997 NH2 ARG A 67 -37.529 -16.373 25.111 1.00 0.00 N ATOM 0 H ARG A 67 -31.936 -16.838 22.834 1.00 0.00 H new ATOM 0 HA ARG A 67 -31.956 -17.804 25.539 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -33.721 -17.925 23.532 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -32.871 -19.414 23.170 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -34.656 -20.084 24.554 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -33.265 -20.078 25.620 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -35.123 -19.006 26.758 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -33.899 -17.799 26.419 1.00 0.00 H new ATOM 0 HE ARG A 67 -35.502 -17.521 24.236 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -36.205 -17.781 27.684 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -37.668 -16.797 27.579 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -37.384 -16.258 24.108 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -38.334 -15.939 25.563 1.00 0.00 H new ATOM 1011 N HIS A 68 -29.922 -19.108 23.362 1.00 0.00 N ATOM 1012 CA HIS A 68 -28.815 -20.042 23.187 1.00 0.00 C ATOM 1013 C HIS A 68 -27.618 -19.633 24.040 1.00 0.00 C ATOM 1014 O HIS A 68 -26.742 -20.447 24.329 1.00 0.00 O ATOM 1015 CB HIS A 68 -28.406 -20.111 21.715 1.00 0.00 C ATOM 1016 CG HIS A 68 -27.054 -20.717 21.496 1.00 0.00 C ATOM 1017 ND1 HIS A 68 -26.851 -22.073 21.362 1.00 0.00 N ATOM 1018 CD2 HIS A 68 -25.834 -20.142 21.387 1.00 0.00 C ATOM 1019 CE1 HIS A 68 -25.562 -22.307 21.181 1.00 0.00 C ATOM 1020 NE2 HIS A 68 -24.924 -21.151 21.192 1.00 0.00 N ATOM 0 H HIS A 68 -30.045 -18.450 22.592 1.00 0.00 H new ATOM 0 HA HIS A 68 -29.150 -21.028 23.511 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -29.148 -20.692 21.167 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -28.416 -19.105 21.296 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -27.581 -22.785 21.397 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -25.617 -19.086 21.443 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -25.109 -23.278 21.047 1.00 0.00 H new ATOM 1028 N ARG A 69 -27.589 -18.366 24.440 1.00 0.00 N ATOM 1029 CA ARG A 69 -26.499 -17.848 25.259 1.00 0.00 C ATOM 1030 C ARG A 69 -26.785 -18.058 26.742 1.00 0.00 C ATOM 1031 O ARG A 69 -25.975 -18.635 27.466 1.00 0.00 O ATOM 1032 CB ARG A 69 -26.281 -16.361 24.976 1.00 0.00 C ATOM 1033 CG ARG A 69 -25.782 -16.075 23.568 1.00 0.00 C ATOM 1034 CD ARG A 69 -24.263 -16.078 23.505 1.00 0.00 C ATOM 1035 NE ARG A 69 -23.758 -15.220 22.436 1.00 0.00 N ATOM 1036 CZ ARG A 69 -22.545 -14.678 22.439 1.00 0.00 C ATOM 1037 NH1 ARG A 69 -21.717 -14.906 23.449 1.00 0.00 N ATOM 1038 NH2 ARG A 69 -22.158 -13.909 21.430 1.00 0.00 N ATOM 0 H ARG A 69 -28.307 -17.679 24.210 1.00 0.00 H new ATOM 0 HA ARG A 69 -25.593 -18.396 25.001 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -27.219 -15.828 25.135 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -25.563 -15.965 25.694 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -26.177 -16.824 22.881 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -26.159 -15.108 23.236 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -23.860 -15.742 24.460 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -23.909 -17.097 23.350 1.00 0.00 H new ATOM 0 HE ARG A 69 -24.370 -15.026 21.644 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -22.011 -15.498 24.226 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -20.786 -14.489 23.449 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -22.792 -13.733 20.651 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -21.226 -13.493 21.434 1.00 0.00 H new ATOM 1052 N ARG A 70 -27.946 -17.585 27.187 1.00 0.00 N ATOM 1053 CA ARG A 70 -28.339 -17.718 28.585 1.00 0.00 C ATOM 1054 C ARG A 70 -28.135 -19.150 29.073 1.00 0.00 C ATOM 1055 O ARG A 70 -28.038 -19.401 30.275 1.00 0.00 O ATOM 1056 CB ARG A 70 -29.802 -17.310 28.766 1.00 0.00 C ATOM 1057 CG ARG A 70 -30.791 -18.377 28.325 1.00 0.00 C ATOM 1058 CD ARG A 70 -32.192 -18.082 28.836 1.00 0.00 C ATOM 1059 NE ARG A 70 -32.243 -18.019 30.294 1.00 0.00 N ATOM 1060 CZ ARG A 70 -32.033 -16.906 30.988 1.00 0.00 C ATOM 1061 NH1 ARG A 70 -31.763 -15.770 30.361 1.00 0.00 N ATOM 1062 NH2 ARG A 70 -32.096 -16.928 32.314 1.00 0.00 N ATOM 0 H ARG A 70 -28.630 -17.107 26.600 1.00 0.00 H new ATOM 0 HA ARG A 70 -27.708 -17.057 29.179 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -29.978 -17.075 29.816 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -29.989 -16.397 28.200 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -30.804 -18.435 27.237 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -30.466 -19.350 28.692 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -32.537 -17.135 28.420 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -32.876 -18.853 28.483 1.00 0.00 H new ATOM 0 HE ARG A 70 -32.451 -18.876 30.807 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -31.716 -15.748 29.342 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -31.602 -14.917 30.897 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -32.306 -17.800 32.800 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -31.935 -16.073 32.846 1.00 0.00 H new ATOM 1076 N THR A 71 -28.072 -20.087 28.132 1.00 0.00 N ATOM 1077 CA THR A 71 -27.882 -21.493 28.465 1.00 0.00 C ATOM 1078 C THR A 71 -26.410 -21.805 28.710 1.00 0.00 C ATOM 1079 O THR A 71 -26.073 -22.614 29.576 1.00 0.00 O ATOM 1080 CB THR A 71 -28.410 -22.412 27.347 1.00 0.00 C ATOM 1081 OG1 THR A 71 -27.662 -22.202 26.145 1.00 0.00 O ATOM 1082 CG2 THR A 71 -29.886 -22.150 27.084 1.00 0.00 C ATOM 0 H THR A 71 -28.150 -19.897 27.133 1.00 0.00 H new ATOM 0 HA THR A 71 -28.448 -21.681 29.377 1.00 0.00 H new ATOM 0 HB THR A 71 -28.292 -23.446 27.671 1.00 0.00 H new ATOM 0 HG1 THR A 71 -27.441 -21.251 26.059 1.00 0.00 H new ATOM 0 HG21 THR A 71 -30.237 -22.810 26.291 1.00 0.00 H new ATOM 0 HG22 THR A 71 -30.457 -22.339 27.993 1.00 0.00 H new ATOM 0 HG23 THR A 71 -30.023 -21.112 26.779 1.00 0.00 H new ATOM 1090 N HIS A 72 -25.537 -21.160 27.943 1.00 0.00 N ATOM 1091 CA HIS A 72 -24.100 -21.369 28.079 1.00 0.00 C ATOM 1092 C HIS A 72 -23.648 -21.127 29.516 1.00 0.00 C ATOM 1093 O HIS A 72 -22.457 -21.164 29.817 1.00 0.00 O ATOM 1094 CB HIS A 72 -23.337 -20.445 27.129 1.00 0.00 C ATOM 1095 CG HIS A 72 -23.148 -21.016 25.759 1.00 0.00 C ATOM 1096 ND1 HIS A 72 -22.984 -22.365 25.521 1.00 0.00 N ATOM 1097 CD2 HIS A 72 -23.101 -20.415 24.546 1.00 0.00 C ATOM 1098 CE1 HIS A 72 -22.841 -22.567 24.224 1.00 0.00 C ATOM 1099 NE2 HIS A 72 -22.908 -21.401 23.610 1.00 0.00 N ATOM 0 H HIS A 72 -25.799 -20.489 27.221 1.00 0.00 H new ATOM 0 HA HIS A 72 -23.883 -22.405 27.819 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -23.872 -19.499 27.048 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -22.360 -20.223 27.559 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -22.975 -23.093 26.236 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -23.197 -19.357 24.351 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -22.694 -23.525 23.747 1.00 0.00 H new