USER MOD reduce.3.24.130724 H: found=0, std=0, add=475, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 473 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 36 SER OG : rot -66:sc= 1.13 USER MOD Set 1.2: A 37 ASN : amide:sc= -0.015 X(o=1.1,f=0.97) USER MOD Single : A 14 SER OG : rot 180:sc= 0.00619 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 130:sc= -0.142 USER MOD Single : A 30 ASN : amide:sc= -4.24! C(o=-4.2!,f=-9.4!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.282 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0.0525 USER MOD Single : A 43 LYS NZ :NH3+ -166:sc= 0.00116 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -60:sc= 1.14 USER MOD Single : A 60 GLN :FLIP amide:sc= -0.276 F(o=-2,f=-0.28) USER MOD Single : A 62 HIS : no HD1:sc= -8.83! C(o=-8.8!,f=-10!) USER MOD Single : A 64 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0989) USER MOD Single : A 65 MET CE :methyl -105:sc= -1.36 (180deg=-4.08!) USER MOD Single : A 68 HIS :FLIP no HD1:sc= -0.895 F(o=-3.1,f=-0.89) USER MOD ----------------------------------------------------------------- ATOM 176 N CYS A 12 -0.918 -8.739 -6.853 1.00 0.00 N ATOM 177 CA CYS A 12 -0.006 -8.978 -7.970 1.00 0.00 C ATOM 178 C CYS A 12 0.970 -10.095 -7.628 1.00 0.00 C ATOM 179 O CYS A 12 1.166 -10.434 -6.460 1.00 0.00 O ATOM 180 CB CYS A 12 0.803 -7.719 -8.285 1.00 0.00 C ATOM 181 SG CYS A 12 -0.309 -6.315 -8.553 1.00 0.00 S ATOM 0 HA CYS A 12 -0.609 -9.257 -8.834 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.485 -7.501 -7.463 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.415 -7.883 -9.172 1.00 0.00 H new ATOM 186 N PHE A 13 1.601 -10.651 -8.659 1.00 0.00 N ATOM 187 CA PHE A 13 2.578 -11.714 -8.454 1.00 0.00 C ATOM 188 C PHE A 13 3.825 -11.127 -7.806 1.00 0.00 C ATOM 189 O PHE A 13 4.313 -11.619 -6.788 1.00 0.00 O ATOM 190 CB PHE A 13 2.965 -12.359 -9.789 1.00 0.00 C ATOM 191 CG PHE A 13 3.134 -13.850 -9.607 1.00 0.00 C ATOM 192 CD1 PHE A 13 4.246 -14.349 -8.919 1.00 0.00 C ATOM 193 CD2 PHE A 13 2.178 -14.730 -10.126 1.00 0.00 C ATOM 194 CE1 PHE A 13 4.403 -15.730 -8.750 1.00 0.00 C ATOM 195 CE2 PHE A 13 2.335 -16.111 -9.958 1.00 0.00 C ATOM 196 CZ PHE A 13 3.447 -16.611 -9.271 1.00 0.00 C ATOM 0 H PHE A 13 1.455 -10.387 -9.633 1.00 0.00 H new ATOM 0 HA PHE A 13 2.137 -12.475 -7.810 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.197 -12.159 -10.536 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.892 -11.921 -10.160 1.00 0.00 H new ATOM 0 HD1 PHE A 13 4.983 -13.669 -8.518 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.320 -14.344 -10.656 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.260 -16.115 -8.218 1.00 0.00 H new ATOM 0 HE2 PHE A 13 1.598 -16.791 -10.359 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.568 -17.676 -9.143 1.00 0.00 H new ATOM 206 N SER A 14 4.324 -10.054 -8.413 1.00 0.00 N ATOM 207 CA SER A 14 5.506 -9.377 -7.899 1.00 0.00 C ATOM 208 C SER A 14 5.135 -7.971 -7.440 1.00 0.00 C ATOM 209 O SER A 14 4.224 -7.348 -7.986 1.00 0.00 O ATOM 210 CB SER A 14 6.586 -9.285 -8.977 1.00 0.00 C ATOM 211 OG SER A 14 5.974 -9.286 -10.259 1.00 0.00 O ATOM 0 H SER A 14 3.929 -9.638 -9.257 1.00 0.00 H new ATOM 0 HA SER A 14 5.893 -9.952 -7.058 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.173 -8.376 -8.843 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.275 -10.125 -8.890 1.00 0.00 H new ATOM 0 HG SER A 14 6.665 -9.225 -10.951 1.00 0.00 H new ATOM 217 N PHE A 15 5.839 -7.478 -6.426 1.00 0.00 N ATOM 218 CA PHE A 15 5.557 -6.144 -5.901 1.00 0.00 C ATOM 219 C PHE A 15 6.682 -5.174 -6.246 1.00 0.00 C ATOM 220 O PHE A 15 7.639 -5.524 -6.937 1.00 0.00 O ATOM 221 CB PHE A 15 5.390 -6.194 -4.375 1.00 0.00 C ATOM 222 CG PHE A 15 4.185 -7.038 -3.959 1.00 0.00 C ATOM 223 CD1 PHE A 15 3.218 -7.466 -4.894 1.00 0.00 C ATOM 224 CD2 PHE A 15 4.042 -7.395 -2.613 1.00 0.00 C ATOM 225 CE1 PHE A 15 2.132 -8.240 -4.479 1.00 0.00 C ATOM 226 CE2 PHE A 15 2.951 -8.169 -2.200 1.00 0.00 C ATOM 227 CZ PHE A 15 1.997 -8.592 -3.132 1.00 0.00 C ATOM 0 H PHE A 15 6.598 -7.972 -5.956 1.00 0.00 H new ATOM 0 HA PHE A 15 4.632 -5.796 -6.360 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.294 -6.605 -3.925 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.274 -5.181 -3.989 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.318 -7.194 -5.934 1.00 0.00 H new ATOM 0 HD2 PHE A 15 4.776 -7.072 -1.890 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.396 -8.567 -5.199 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.846 -8.440 -1.160 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.157 -9.190 -2.812 1.00 0.00 H new ATOM 237 N ALA A 16 6.549 -3.944 -5.753 1.00 0.00 N ATOM 238 CA ALA A 16 7.549 -2.911 -6.006 1.00 0.00 C ATOM 239 C ALA A 16 8.647 -2.950 -4.940 1.00 0.00 C ATOM 240 O ALA A 16 8.972 -1.936 -4.319 1.00 0.00 O ATOM 241 CB ALA A 16 6.887 -1.530 -6.000 1.00 0.00 C ATOM 0 H ALA A 16 5.762 -3.640 -5.179 1.00 0.00 H new ATOM 0 HA ALA A 16 7.996 -3.099 -6.982 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.640 -0.765 -6.189 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.124 -1.489 -6.777 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.425 -1.352 -5.029 1.00 0.00 H new ATOM 247 N GLU A 17 9.220 -4.132 -4.734 1.00 0.00 N ATOM 248 CA GLU A 17 10.278 -4.286 -3.740 1.00 0.00 C ATOM 249 C GLU A 17 11.641 -4.394 -4.416 1.00 0.00 C ATOM 250 O GLU A 17 12.556 -5.040 -3.905 1.00 0.00 O ATOM 251 CB GLU A 17 10.037 -5.537 -2.898 1.00 0.00 C ATOM 252 CG GLU A 17 9.919 -6.760 -3.811 1.00 0.00 C ATOM 253 CD GLU A 17 10.481 -7.985 -3.098 1.00 0.00 C ATOM 254 OE1 GLU A 17 11.636 -7.940 -2.708 1.00 0.00 O ATOM 255 OE2 GLU A 17 9.748 -8.950 -2.953 1.00 0.00 O ATOM 0 H GLU A 17 8.974 -4.986 -5.234 1.00 0.00 H new ATOM 0 HA GLU A 17 10.266 -3.406 -3.097 1.00 0.00 H new ATOM 0 HB2 GLU A 17 10.857 -5.676 -2.193 1.00 0.00 H new ATOM 0 HB3 GLU A 17 9.127 -5.421 -2.310 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.876 -6.928 -4.078 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.461 -6.587 -4.740 1.00 0.00 H new ATOM 262 N GLN A 18 11.765 -3.752 -5.572 1.00 0.00 N ATOM 263 CA GLN A 18 13.021 -3.778 -6.317 1.00 0.00 C ATOM 264 C GLN A 18 13.642 -2.384 -6.368 1.00 0.00 C ATOM 265 O GLN A 18 14.323 -2.029 -7.329 1.00 0.00 O ATOM 266 CB GLN A 18 12.786 -4.270 -7.746 1.00 0.00 C ATOM 267 CG GLN A 18 12.074 -5.624 -7.712 1.00 0.00 C ATOM 268 CD GLN A 18 11.416 -5.887 -9.061 1.00 0.00 C ATOM 269 OE1 GLN A 18 10.349 -5.347 -9.356 1.00 0.00 O ATOM 270 NE2 GLN A 18 11.993 -6.695 -9.909 1.00 0.00 N ATOM 0 H GLN A 18 11.020 -3.212 -6.012 1.00 0.00 H new ATOM 0 HA GLN A 18 13.700 -4.460 -5.805 1.00 0.00 H new ATOM 0 HB2 GLN A 18 12.186 -3.546 -8.297 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.737 -4.361 -8.271 1.00 0.00 H new ATOM 0 HG2 GLN A 18 12.787 -6.416 -7.483 1.00 0.00 H new ATOM 0 HG3 GLN A 18 11.323 -5.632 -6.922 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.877 -7.143 -9.666 1.00 0.00 H new ATOM 0 HE22 GLN A 18 11.560 -6.878 -10.814 1.00 0.00 H new ATOM 279 N GLU A 19 13.401 -1.600 -5.319 1.00 0.00 N ATOM 280 CA GLU A 19 13.942 -0.244 -5.249 1.00 0.00 C ATOM 281 C GLU A 19 13.435 0.599 -6.419 1.00 0.00 C ATOM 282 O GLU A 19 14.166 0.881 -7.369 1.00 0.00 O ATOM 283 CB GLU A 19 15.473 -0.277 -5.277 1.00 0.00 C ATOM 284 CG GLU A 19 16.024 0.910 -4.486 1.00 0.00 C ATOM 285 CD GLU A 19 17.543 0.944 -4.610 1.00 0.00 C ATOM 286 OE1 GLU A 19 18.023 1.152 -5.712 1.00 0.00 O ATOM 287 OE2 GLU A 19 18.204 0.761 -3.601 1.00 0.00 O ATOM 0 H GLU A 19 12.840 -1.877 -4.513 1.00 0.00 H new ATOM 0 HA GLU A 19 13.607 0.204 -4.313 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.835 -1.212 -4.849 1.00 0.00 H new ATOM 0 HB3 GLU A 19 15.829 -0.238 -6.306 1.00 0.00 H new ATOM 0 HG2 GLU A 19 15.597 1.840 -4.861 1.00 0.00 H new ATOM 0 HG3 GLU A 19 15.736 0.827 -3.438 1.00 0.00 H new ATOM 294 N ILE A 20 12.168 0.998 -6.337 1.00 0.00 N ATOM 295 CA ILE A 20 11.567 1.813 -7.390 1.00 0.00 C ATOM 296 C ILE A 20 11.548 3.293 -6.964 1.00 0.00 C ATOM 297 O ILE A 20 11.167 3.604 -5.835 1.00 0.00 O ATOM 298 CB ILE A 20 10.137 1.330 -7.688 1.00 0.00 C ATOM 299 CG1 ILE A 20 9.536 2.159 -8.828 1.00 0.00 C ATOM 300 CG2 ILE A 20 9.259 1.472 -6.439 1.00 0.00 C ATOM 301 CD1 ILE A 20 8.212 1.533 -9.274 1.00 0.00 C ATOM 0 H ILE A 20 11.544 0.774 -5.562 1.00 0.00 H new ATOM 0 HA ILE A 20 12.165 1.713 -8.296 1.00 0.00 H new ATOM 0 HB ILE A 20 10.176 0.281 -7.981 1.00 0.00 H new ATOM 0 HG12 ILE A 20 9.372 3.185 -8.498 1.00 0.00 H new ATOM 0 HG13 ILE A 20 10.231 2.201 -9.667 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.250 1.127 -6.663 1.00 0.00 H new ATOM 0 HG22 ILE A 20 9.677 0.872 -5.630 1.00 0.00 H new ATOM 0 HG23 ILE A 20 9.226 2.518 -6.135 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.785 2.123 -10.085 1.00 0.00 H new ATOM 0 HD12 ILE A 20 8.389 0.515 -9.621 1.00 0.00 H new ATOM 0 HD13 ILE A 20 7.517 1.514 -8.434 1.00 0.00 H new ATOM 313 N PRO A 21 11.959 4.228 -7.844 1.00 0.00 N ATOM 314 CA PRO A 21 11.973 5.661 -7.502 1.00 0.00 C ATOM 315 C PRO A 21 10.642 6.346 -7.798 1.00 0.00 C ATOM 316 O PRO A 21 9.804 5.814 -8.526 1.00 0.00 O ATOM 317 CB PRO A 21 13.058 6.197 -8.427 1.00 0.00 C ATOM 318 CG PRO A 21 13.153 5.238 -9.611 1.00 0.00 C ATOM 319 CD PRO A 21 12.436 3.942 -9.216 1.00 0.00 C ATOM 0 HA PRO A 21 12.147 5.838 -6.441 1.00 0.00 H new ATOM 0 HB2 PRO A 21 12.813 7.204 -8.765 1.00 0.00 H new ATOM 0 HB3 PRO A 21 14.013 6.260 -7.905 1.00 0.00 H new ATOM 0 HG2 PRO A 21 12.692 5.676 -10.496 1.00 0.00 H new ATOM 0 HG3 PRO A 21 14.195 5.039 -9.860 1.00 0.00 H new ATOM 0 HD2 PRO A 21 11.611 3.716 -9.891 1.00 0.00 H new ATOM 0 HD3 PRO A 21 13.110 3.085 -9.238 1.00 0.00 H new ATOM 327 N LEU A 22 10.464 7.540 -7.240 1.00 0.00 N ATOM 328 CA LEU A 22 9.234 8.294 -7.471 1.00 0.00 C ATOM 329 C LEU A 22 9.100 8.659 -8.948 1.00 0.00 C ATOM 330 O LEU A 22 8.000 8.884 -9.443 1.00 0.00 O ATOM 331 CB LEU A 22 9.208 9.577 -6.635 1.00 0.00 C ATOM 332 CG LEU A 22 8.761 9.408 -5.179 1.00 0.00 C ATOM 333 CD1 LEU A 22 7.377 8.757 -5.145 1.00 0.00 C ATOM 334 CD2 LEU A 22 9.754 8.521 -4.430 1.00 0.00 C ATOM 0 H LEU A 22 11.143 8.001 -6.634 1.00 0.00 H new ATOM 0 HA LEU A 22 8.399 7.659 -7.173 1.00 0.00 H new ATOM 0 HB2 LEU A 22 10.206 10.014 -6.642 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.544 10.292 -7.120 1.00 0.00 H new ATOM 0 HG LEU A 22 8.721 10.387 -4.701 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.057 8.636 -4.110 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.664 9.390 -5.673 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.422 7.781 -5.627 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.430 8.405 -3.396 1.00 0.00 H new ATOM 0 HD22 LEU A 22 9.800 7.542 -4.908 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.742 8.982 -4.451 1.00 0.00 H new ATOM 346 N ARG A 23 10.228 8.709 -9.655 1.00 0.00 N ATOM 347 CA ARG A 23 10.200 9.036 -11.078 1.00 0.00 C ATOM 348 C ARG A 23 9.370 8.008 -11.857 1.00 0.00 C ATOM 349 O ARG A 23 8.925 8.274 -12.973 1.00 0.00 O ATOM 350 CB ARG A 23 11.620 9.061 -11.648 1.00 0.00 C ATOM 351 CG ARG A 23 12.246 10.435 -11.401 1.00 0.00 C ATOM 352 CD ARG A 23 13.747 10.275 -11.153 1.00 0.00 C ATOM 353 NE ARG A 23 14.496 10.420 -12.405 1.00 0.00 N ATOM 354 CZ ARG A 23 15.830 10.296 -12.455 1.00 0.00 C ATOM 355 NH1 ARG A 23 16.532 10.036 -11.377 1.00 0.00 N ATOM 356 NH2 ARG A 23 16.443 10.436 -13.598 1.00 0.00 N ATOM 0 H ARG A 23 11.157 8.531 -9.274 1.00 0.00 H new ATOM 0 HA ARG A 23 9.745 10.021 -11.184 1.00 0.00 H new ATOM 0 HB2 ARG A 23 12.225 8.285 -11.179 1.00 0.00 H new ATOM 0 HB3 ARG A 23 11.598 8.847 -12.716 1.00 0.00 H new ATOM 0 HG2 ARG A 23 12.076 11.084 -12.260 1.00 0.00 H new ATOM 0 HG3 ARG A 23 11.774 10.913 -10.543 1.00 0.00 H new ATOM 0 HD2 ARG A 23 14.084 11.021 -10.433 1.00 0.00 H new ATOM 0 HD3 ARG A 23 13.946 9.297 -10.715 1.00 0.00 H new ATOM 0 HE ARG A 23 13.986 10.622 -13.265 1.00 0.00 H new ATOM 0 HH11 ARG A 23 16.063 9.924 -10.478 1.00 0.00 H new ATOM 0 HH12 ARG A 23 17.546 9.946 -11.438 1.00 0.00 H new ATOM 0 HH21 ARG A 23 15.908 10.638 -14.442 1.00 0.00 H new ATOM 0 HH22 ARG A 23 17.458 10.344 -13.647 1.00 0.00 H new ATOM 370 N ALA A 24 9.170 6.829 -11.259 1.00 0.00 N ATOM 371 CA ALA A 24 8.398 5.774 -11.912 1.00 0.00 C ATOM 372 C ALA A 24 7.003 5.643 -11.290 1.00 0.00 C ATOM 373 O ALA A 24 6.082 5.115 -11.913 1.00 0.00 O ATOM 374 CB ALA A 24 9.130 4.433 -11.788 1.00 0.00 C ATOM 0 H ALA A 24 9.528 6.586 -10.335 1.00 0.00 H new ATOM 0 HA ALA A 24 8.290 6.042 -12.963 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.547 3.653 -12.278 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.108 4.507 -12.263 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.257 4.184 -10.734 1.00 0.00 H new ATOM 380 N ILE A 25 6.858 6.117 -10.052 1.00 0.00 N ATOM 381 CA ILE A 25 5.575 6.036 -9.353 1.00 0.00 C ATOM 382 C ILE A 25 4.940 7.426 -9.259 1.00 0.00 C ATOM 383 O ILE A 25 5.604 8.440 -9.457 1.00 0.00 O ATOM 384 CB ILE A 25 5.773 5.457 -7.946 1.00 0.00 C ATOM 385 CG1 ILE A 25 6.641 4.190 -8.025 1.00 0.00 C ATOM 386 CG2 ILE A 25 4.414 5.096 -7.346 1.00 0.00 C ATOM 387 CD1 ILE A 25 6.931 3.664 -6.616 1.00 0.00 C ATOM 0 H ILE A 25 7.606 6.557 -9.516 1.00 0.00 H new ATOM 0 HA ILE A 25 4.912 5.379 -9.915 1.00 0.00 H new ATOM 0 HB ILE A 25 6.267 6.200 -7.319 1.00 0.00 H new ATOM 0 HG12 ILE A 25 6.130 3.425 -8.609 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.576 4.412 -8.539 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.555 4.685 -6.347 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.794 5.990 -7.286 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.923 4.355 -7.977 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.546 2.767 -6.682 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.461 4.426 -6.045 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.992 3.424 -6.117 1.00 0.00 H new ATOM 399 N LEU A 26 3.641 7.466 -8.980 1.00 0.00 N ATOM 400 CA LEU A 26 2.934 8.745 -8.895 1.00 0.00 C ATOM 401 C LEU A 26 2.158 8.890 -7.586 1.00 0.00 C ATOM 402 O LEU A 26 2.096 9.974 -7.008 1.00 0.00 O ATOM 403 CB LEU A 26 1.957 8.881 -10.061 1.00 0.00 C ATOM 404 CG LEU A 26 2.607 8.974 -11.441 1.00 0.00 C ATOM 405 CD1 LEU A 26 1.527 9.217 -12.494 1.00 0.00 C ATOM 406 CD2 LEU A 26 3.604 10.135 -11.460 1.00 0.00 C ATOM 0 H LEU A 26 3.062 6.644 -8.811 1.00 0.00 H new ATOM 0 HA LEU A 26 3.690 9.530 -8.935 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.282 8.026 -10.051 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.347 9.770 -9.903 1.00 0.00 H new ATOM 0 HG LEU A 26 3.130 8.043 -11.660 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.988 9.284 -13.479 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.815 8.392 -12.482 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.007 10.149 -12.273 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.067 10.201 -12.444 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.082 11.067 -11.242 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.374 9.966 -10.707 1.00 0.00 H new ATOM 418 N CYS A 27 1.547 7.801 -7.139 1.00 0.00 N ATOM 419 CA CYS A 27 0.753 7.836 -5.910 1.00 0.00 C ATOM 420 C CYS A 27 0.661 6.427 -5.313 1.00 0.00 C ATOM 421 O CYS A 27 0.808 5.433 -6.019 1.00 0.00 O ATOM 422 CB CYS A 27 -0.660 8.377 -6.245 1.00 0.00 C ATOM 423 SG CYS A 27 -1.814 8.178 -4.868 1.00 0.00 S ATOM 0 H CYS A 27 1.582 6.891 -7.599 1.00 0.00 H new ATOM 0 HA CYS A 27 1.225 8.490 -5.177 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.590 9.433 -6.508 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.048 7.856 -7.120 1.00 0.00 H new ATOM 428 N TYR A 28 0.394 6.354 -4.005 1.00 0.00 N ATOM 429 CA TYR A 28 0.263 5.057 -3.348 1.00 0.00 C ATOM 430 C TYR A 28 -1.067 4.958 -2.596 1.00 0.00 C ATOM 431 O TYR A 28 -1.675 5.965 -2.234 1.00 0.00 O ATOM 432 CB TYR A 28 1.483 4.766 -2.434 1.00 0.00 C ATOM 433 CG TYR A 28 1.223 5.062 -0.964 1.00 0.00 C ATOM 434 CD1 TYR A 28 0.670 6.288 -0.577 1.00 0.00 C ATOM 435 CD2 TYR A 28 1.542 4.100 0.004 1.00 0.00 C ATOM 436 CE1 TYR A 28 0.434 6.552 0.779 1.00 0.00 C ATOM 437 CE2 TYR A 28 1.308 4.363 1.359 1.00 0.00 C ATOM 438 CZ TYR A 28 0.754 5.589 1.748 1.00 0.00 C ATOM 439 OH TYR A 28 0.521 5.851 3.082 1.00 0.00 O ATOM 0 H TYR A 28 0.267 7.161 -3.394 1.00 0.00 H new ATOM 0 HA TYR A 28 0.254 4.282 -4.115 1.00 0.00 H new ATOM 0 HB2 TYR A 28 1.766 3.719 -2.541 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.331 5.362 -2.772 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.425 7.030 -1.323 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.969 3.154 -0.296 1.00 0.00 H new ATOM 0 HE1 TYR A 28 0.006 7.497 1.078 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.555 3.621 2.104 1.00 0.00 H new ATOM 0 HH TYR A 28 0.030 5.103 3.481 1.00 0.00 H new ATOM 449 N ARG A 29 -1.499 3.724 -2.370 1.00 0.00 N ATOM 450 CA ARG A 29 -2.753 3.479 -1.661 1.00 0.00 C ATOM 451 C ARG A 29 -2.748 2.079 -1.054 1.00 0.00 C ATOM 452 O ARG A 29 -2.374 1.104 -1.706 1.00 0.00 O ATOM 453 CB ARG A 29 -3.955 3.619 -2.606 1.00 0.00 C ATOM 454 CG ARG A 29 -3.701 2.846 -3.912 1.00 0.00 C ATOM 455 CD ARG A 29 -4.720 1.712 -4.056 1.00 0.00 C ATOM 456 NE ARG A 29 -4.826 1.288 -5.454 1.00 0.00 N ATOM 457 CZ ARG A 29 -5.845 0.538 -5.897 1.00 0.00 C ATOM 458 NH1 ARG A 29 -6.804 0.149 -5.090 1.00 0.00 N ATOM 459 NH2 ARG A 29 -5.885 0.188 -7.153 1.00 0.00 N ATOM 0 H ARG A 29 -1.005 2.881 -2.664 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.842 4.222 -0.868 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.854 3.240 -2.120 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -4.132 4.672 -2.827 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.774 3.522 -4.764 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.690 2.440 -3.913 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.422 0.867 -3.436 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -5.694 2.043 -3.696 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.101 1.573 -6.112 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.783 0.417 -4.106 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.571 -0.421 -5.447 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.145 0.485 -7.789 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.656 -0.383 -7.499 1.00 0.00 H new ATOM 473 N ASN A 30 -3.158 1.996 0.208 1.00 0.00 N ATOM 474 CA ASN A 30 -3.187 0.714 0.908 1.00 0.00 C ATOM 475 C ASN A 30 -4.450 -0.067 0.563 1.00 0.00 C ATOM 476 O ASN A 30 -5.567 0.389 0.807 1.00 0.00 O ATOM 477 CB ASN A 30 -3.135 0.930 2.421 1.00 0.00 C ATOM 478 CG ASN A 30 -1.911 1.769 2.789 1.00 0.00 C ATOM 479 OD1 ASN A 30 -1.245 2.331 1.919 1.00 0.00 O ATOM 480 ND2 ASN A 30 -1.573 1.889 4.043 1.00 0.00 N ATOM 0 H ASN A 30 -3.472 2.792 0.763 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.315 0.144 0.588 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.043 1.431 2.756 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -3.094 -0.032 2.932 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.759 2.447 4.301 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.123 1.425 4.766 1.00 0.00 H new ATOM 487 N THR A 31 -4.256 -1.259 0.006 1.00 0.00 N ATOM 488 CA THR A 31 -5.383 -2.111 -0.357 1.00 0.00 C ATOM 489 C THR A 31 -5.728 -3.037 0.807 1.00 0.00 C ATOM 490 O THR A 31 -5.037 -3.056 1.826 1.00 0.00 O ATOM 491 CB THR A 31 -5.052 -2.950 -1.597 1.00 0.00 C ATOM 492 OG1 THR A 31 -6.131 -3.833 -1.868 1.00 0.00 O ATOM 493 CG2 THR A 31 -3.778 -3.763 -1.352 1.00 0.00 C ATOM 0 H THR A 31 -3.339 -1.654 -0.202 1.00 0.00 H new ATOM 0 HA THR A 31 -6.237 -1.473 -0.584 1.00 0.00 H new ATOM 0 HB THR A 31 -4.895 -2.287 -2.448 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.923 -4.370 -2.661 1.00 0.00 H new ATOM 0 HG21 THR A 31 -3.549 -4.356 -2.237 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.949 -3.086 -1.144 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.928 -4.426 -0.500 1.00 0.00 H new ATOM 501 N SER A 32 -6.805 -3.799 0.648 1.00 0.00 N ATOM 502 CA SER A 32 -7.239 -4.722 1.697 1.00 0.00 C ATOM 503 C SER A 32 -6.141 -5.730 2.024 1.00 0.00 C ATOM 504 O SER A 32 -5.078 -5.737 1.403 1.00 0.00 O ATOM 505 CB SER A 32 -8.482 -5.489 1.249 1.00 0.00 C ATOM 506 OG SER A 32 -9.641 -4.719 1.543 1.00 0.00 O ATOM 0 H SER A 32 -7.390 -3.798 -0.187 1.00 0.00 H new ATOM 0 HA SER A 32 -7.465 -4.130 2.584 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.430 -5.696 0.180 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.532 -6.452 1.758 1.00 0.00 H new ATOM 0 HG SER A 32 -10.440 -5.208 1.255 1.00 0.00 H new ATOM 512 N SER A 33 -6.421 -6.591 3.001 1.00 0.00 N ATOM 513 CA SER A 33 -5.460 -7.618 3.398 1.00 0.00 C ATOM 514 C SER A 33 -5.697 -8.921 2.623 1.00 0.00 C ATOM 515 O SER A 33 -5.182 -9.976 2.992 1.00 0.00 O ATOM 516 CB SER A 33 -5.575 -7.905 4.896 1.00 0.00 C ATOM 517 OG SER A 33 -4.845 -6.923 5.620 1.00 0.00 O ATOM 0 H SER A 33 -7.295 -6.599 3.527 1.00 0.00 H new ATOM 0 HA SER A 33 -4.462 -7.242 3.170 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.622 -7.895 5.201 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.188 -8.900 5.118 1.00 0.00 H new ATOM 0 HG SER A 33 -4.918 -7.103 6.581 1.00 0.00 H new ATOM 523 N ILE A 34 -6.483 -8.839 1.541 1.00 0.00 N ATOM 524 CA ILE A 34 -6.786 -10.009 0.715 1.00 0.00 C ATOM 525 C ILE A 34 -5.508 -10.727 0.279 1.00 0.00 C ATOM 526 O ILE A 34 -5.416 -11.953 0.338 1.00 0.00 O ATOM 527 CB ILE A 34 -7.587 -9.579 -0.537 1.00 0.00 C ATOM 528 CG1 ILE A 34 -7.727 -10.761 -1.517 1.00 0.00 C ATOM 529 CG2 ILE A 34 -6.878 -8.419 -1.252 1.00 0.00 C ATOM 530 CD1 ILE A 34 -9.154 -10.829 -2.048 1.00 0.00 C ATOM 0 H ILE A 34 -6.919 -7.974 1.220 1.00 0.00 H new ATOM 0 HA ILE A 34 -7.381 -10.697 1.315 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.576 -9.257 -0.212 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.027 -10.643 -2.344 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.472 -11.694 -1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -7.453 -8.127 -2.131 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.796 -7.570 -0.574 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -5.881 -8.736 -1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.245 -11.666 -2.740 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.845 -10.968 -1.217 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.393 -9.901 -2.568 1.00 0.00 H new ATOM 542 N CYS A 35 -4.543 -9.952 -0.190 1.00 0.00 N ATOM 543 CA CYS A 35 -3.287 -10.524 -0.675 1.00 0.00 C ATOM 544 C CYS A 35 -2.653 -11.447 0.367 1.00 0.00 C ATOM 545 O CYS A 35 -2.600 -12.664 0.187 1.00 0.00 O ATOM 546 CB CYS A 35 -2.284 -9.423 -1.044 1.00 0.00 C ATOM 547 SG CYS A 35 -3.048 -8.229 -2.179 1.00 0.00 S ATOM 0 H CYS A 35 -4.599 -8.935 -0.247 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.528 -11.106 -1.565 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -1.946 -8.913 -0.142 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -1.403 -9.865 -1.509 1.00 0.00 H new ATOM 0 HG CYS A 35 -2.186 -7.303 -2.479 1.00 0.00 H new ATOM 552 N SER A 36 -2.176 -10.856 1.458 1.00 0.00 N ATOM 553 CA SER A 36 -1.549 -11.633 2.526 1.00 0.00 C ATOM 554 C SER A 36 -1.077 -10.708 3.648 1.00 0.00 C ATOM 555 O SER A 36 0.118 -10.590 3.922 1.00 0.00 O ATOM 556 CB SER A 36 -0.355 -12.428 1.988 1.00 0.00 C ATOM 557 OG SER A 36 0.387 -12.959 3.078 1.00 0.00 O ATOM 0 H SER A 36 -2.210 -9.851 1.627 1.00 0.00 H new ATOM 0 HA SER A 36 -2.291 -12.328 2.918 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.702 -13.235 1.342 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.281 -11.784 1.380 1.00 0.00 H new ATOM 0 HG SER A 36 0.790 -12.225 3.588 1.00 0.00 H new ATOM 563 N ASN A 37 -2.038 -10.052 4.296 1.00 0.00 N ATOM 564 CA ASN A 37 -1.726 -9.132 5.390 1.00 0.00 C ATOM 565 C ASN A 37 -0.904 -7.954 4.876 1.00 0.00 C ATOM 566 O ASN A 37 0.117 -8.131 4.214 1.00 0.00 O ATOM 567 CB ASN A 37 -0.943 -9.845 6.496 1.00 0.00 C ATOM 568 CG ASN A 37 -1.714 -11.078 6.952 1.00 0.00 C ATOM 569 OD1 ASN A 37 -2.613 -10.984 7.788 1.00 0.00 O ATOM 570 ND2 ASN A 37 -1.414 -12.245 6.448 1.00 0.00 N ATOM 0 H ASN A 37 -3.032 -10.139 4.085 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.669 -8.769 5.798 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.042 -10.134 6.130 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.785 -9.170 7.337 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -1.924 -13.076 6.747 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -0.670 -12.325 5.755 1.00 0.00 H new ATOM 577 N GLU A 38 -1.367 -6.747 5.189 1.00 0.00 N ATOM 578 CA GLU A 38 -0.674 -5.535 4.756 1.00 0.00 C ATOM 579 C GLU A 38 -0.603 -5.475 3.231 1.00 0.00 C ATOM 580 O GLU A 38 0.431 -5.765 2.628 1.00 0.00 O ATOM 581 CB GLU A 38 0.747 -5.492 5.328 1.00 0.00 C ATOM 582 CG GLU A 38 0.680 -5.255 6.838 1.00 0.00 C ATOM 583 CD GLU A 38 0.330 -6.560 7.543 1.00 0.00 C ATOM 584 OE1 GLU A 38 1.089 -7.505 7.409 1.00 0.00 O ATOM 585 OE2 GLU A 38 -0.692 -6.596 8.208 1.00 0.00 O ATOM 0 H GLU A 38 -2.212 -6.581 5.736 1.00 0.00 H new ATOM 0 HA GLU A 38 -1.236 -4.678 5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 38 1.264 -6.429 5.118 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.320 -4.698 4.849 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.637 -4.879 7.200 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.068 -4.495 7.065 1.00 0.00 H new ATOM 592 N GLY A 39 -1.718 -5.091 2.617 1.00 0.00 N ATOM 593 CA GLY A 39 -1.779 -4.989 1.161 1.00 0.00 C ATOM 594 C GLY A 39 -1.631 -3.535 0.723 1.00 0.00 C ATOM 595 O GLY A 39 -2.401 -2.668 1.134 1.00 0.00 O ATOM 0 H GLY A 39 -2.584 -4.847 3.098 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.989 -5.592 0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.727 -5.389 0.801 1.00 0.00 H new ATOM 599 N LEU A 40 -0.625 -3.276 -0.110 1.00 0.00 N ATOM 600 CA LEU A 40 -0.380 -1.918 -0.592 1.00 0.00 C ATOM 601 C LEU A 40 -0.345 -1.882 -2.114 1.00 0.00 C ATOM 602 O LEU A 40 -0.011 -2.870 -2.769 1.00 0.00 O ATOM 603 CB LEU A 40 0.949 -1.390 -0.051 1.00 0.00 C ATOM 604 CG LEU A 40 1.316 0.029 -0.476 1.00 0.00 C ATOM 605 CD1 LEU A 40 0.261 1.008 0.044 1.00 0.00 C ATOM 606 CD2 LEU A 40 2.684 0.388 0.110 1.00 0.00 C ATOM 0 H LEU A 40 0.026 -3.978 -0.462 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.195 -1.288 -0.237 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.918 -1.428 1.038 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.744 -2.063 -0.371 1.00 0.00 H new ATOM 0 HG LEU A 40 1.355 0.089 -1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.524 2.021 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.713 0.746 -0.369 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.220 0.955 1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.954 1.401 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.640 0.330 1.198 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.433 -0.311 -0.261 1.00 0.00 H new ATOM 618 N ILE A 41 -0.696 -0.726 -2.665 1.00 0.00 N ATOM 619 CA ILE A 41 -0.708 -0.553 -4.112 1.00 0.00 C ATOM 620 C ILE A 41 -0.224 0.854 -4.469 1.00 0.00 C ATOM 621 O ILE A 41 -0.237 1.761 -3.636 1.00 0.00 O ATOM 622 CB ILE A 41 -2.126 -0.788 -4.658 1.00 0.00 C ATOM 623 CG1 ILE A 41 -2.505 -2.254 -4.417 1.00 0.00 C ATOM 624 CG2 ILE A 41 -2.183 -0.485 -6.163 1.00 0.00 C ATOM 625 CD1 ILE A 41 -3.943 -2.506 -4.879 1.00 0.00 C ATOM 0 H ILE A 41 -0.974 0.100 -2.136 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.036 -1.281 -4.567 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.824 -0.125 -4.147 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.821 -2.909 -4.957 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.407 -2.494 -3.358 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.195 -0.657 -6.531 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -1.906 0.555 -6.335 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.489 -1.138 -6.692 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.204 -3.550 -4.704 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.623 -1.863 -4.319 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.027 -2.284 -5.943 1.00 0.00 H new ATOM 637 N PHE A 42 0.208 1.020 -5.716 1.00 0.00 N ATOM 638 CA PHE A 42 0.698 2.315 -6.172 1.00 0.00 C ATOM 639 C PHE A 42 0.126 2.669 -7.541 1.00 0.00 C ATOM 640 O PHE A 42 -0.633 1.906 -8.138 1.00 0.00 O ATOM 641 CB PHE A 42 2.221 2.304 -6.284 1.00 0.00 C ATOM 642 CG PHE A 42 2.860 2.379 -4.918 1.00 0.00 C ATOM 643 CD1 PHE A 42 2.868 1.256 -4.083 1.00 0.00 C ATOM 644 CD2 PHE A 42 3.485 3.562 -4.503 1.00 0.00 C ATOM 645 CE1 PHE A 42 3.500 1.317 -2.839 1.00 0.00 C ATOM 646 CE2 PHE A 42 4.110 3.624 -3.255 1.00 0.00 C ATOM 647 CZ PHE A 42 4.121 2.501 -2.425 1.00 0.00 C ATOM 0 H PHE A 42 0.229 0.283 -6.421 1.00 0.00 H new ATOM 0 HA PHE A 42 0.379 3.055 -5.438 1.00 0.00 H new ATOM 0 HB2 PHE A 42 2.546 1.397 -6.793 1.00 0.00 H new ATOM 0 HB3 PHE A 42 2.551 3.146 -6.892 1.00 0.00 H new ATOM 0 HD1 PHE A 42 2.386 0.343 -4.400 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.484 4.428 -5.149 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.510 0.450 -2.196 1.00 0.00 H new ATOM 0 HE2 PHE A 42 4.584 4.539 -2.933 1.00 0.00 H new ATOM 0 HZ PHE A 42 4.609 2.546 -1.463 1.00 0.00 H new ATOM 657 N LYS A 43 0.519 3.843 -8.027 1.00 0.00 N ATOM 658 CA LYS A 43 0.073 4.325 -9.332 1.00 0.00 C ATOM 659 C LYS A 43 1.270 4.838 -10.119 1.00 0.00 C ATOM 660 O LYS A 43 2.138 5.504 -9.567 1.00 0.00 O ATOM 661 CB LYS A 43 -0.926 5.470 -9.170 1.00 0.00 C ATOM 662 CG LYS A 43 -1.788 5.575 -10.430 1.00 0.00 C ATOM 663 CD LYS A 43 -2.896 4.522 -10.381 1.00 0.00 C ATOM 664 CE LYS A 43 -3.993 4.888 -11.382 1.00 0.00 C ATOM 665 NZ LYS A 43 -5.263 4.210 -10.996 1.00 0.00 N ATOM 0 H LYS A 43 1.147 4.480 -7.536 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.405 3.499 -9.858 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.557 5.296 -8.298 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.397 6.407 -8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.223 6.572 -10.504 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -1.172 5.429 -11.318 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.488 3.539 -10.616 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.312 4.463 -9.375 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.136 5.968 -11.402 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.698 4.587 -12.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.937 4.259 -11.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.069 3.214 -10.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.670 4.683 -10.164 1.00 0.00 H new ATOM 679 N LEU A 44 1.317 4.531 -11.411 1.00 0.00 N ATOM 680 CA LEU A 44 2.432 4.987 -12.240 1.00 0.00 C ATOM 681 C LEU A 44 1.925 5.807 -13.421 1.00 0.00 C ATOM 682 O LEU A 44 0.728 5.836 -13.708 1.00 0.00 O ATOM 683 CB LEU A 44 3.237 3.799 -12.763 1.00 0.00 C ATOM 684 CG LEU A 44 3.519 2.702 -11.733 1.00 0.00 C ATOM 685 CD1 LEU A 44 2.267 1.844 -11.542 1.00 0.00 C ATOM 686 CD2 LEU A 44 4.669 1.822 -12.229 1.00 0.00 C ATOM 0 H LEU A 44 0.613 3.980 -11.901 1.00 0.00 H new ATOM 0 HA LEU A 44 3.074 5.611 -11.618 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.700 3.358 -13.603 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.188 4.166 -13.149 1.00 0.00 H new ATOM 0 HG LEU A 44 3.793 3.159 -10.782 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.469 1.063 -10.809 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.447 2.470 -11.189 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.991 1.386 -12.492 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.871 1.040 -11.497 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.394 1.366 -13.180 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.562 2.432 -12.364 1.00 0.00 H new ATOM 698 N LYS A 45 2.853 6.477 -14.100 1.00 0.00 N ATOM 699 CA LYS A 45 2.494 7.305 -15.251 1.00 0.00 C ATOM 700 C LYS A 45 2.291 6.463 -16.517 1.00 0.00 C ATOM 701 O LYS A 45 1.982 7.001 -17.580 1.00 0.00 O ATOM 702 CB LYS A 45 3.588 8.340 -15.519 1.00 0.00 C ATOM 703 CG LYS A 45 2.983 9.551 -16.233 1.00 0.00 C ATOM 704 CD LYS A 45 4.101 10.392 -16.852 1.00 0.00 C ATOM 705 CE LYS A 45 3.541 11.747 -17.289 1.00 0.00 C ATOM 706 NZ LYS A 45 4.615 12.537 -17.957 1.00 0.00 N ATOM 0 H LYS A 45 3.848 6.465 -13.878 1.00 0.00 H new ATOM 0 HA LYS A 45 1.555 7.802 -15.009 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.047 8.650 -14.580 1.00 0.00 H new ATOM 0 HB3 LYS A 45 4.377 7.901 -16.130 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.291 9.221 -17.008 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.409 10.153 -15.528 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.905 10.535 -16.130 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.530 9.871 -17.708 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.703 11.603 -17.971 1.00 0.00 H new ATOM 0 HE3 LYS A 45 3.159 12.290 -16.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 4.235 13.458 -18.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 5.401 12.685 -17.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.959 12.019 -18.791 1.00 0.00 H new ATOM 720 N ARG A 46 2.460 5.141 -16.405 1.00 0.00 N ATOM 721 CA ARG A 46 2.283 4.264 -17.561 1.00 0.00 C ATOM 722 C ARG A 46 0.840 3.754 -17.659 1.00 0.00 C ATOM 723 O ARG A 46 0.580 2.729 -18.288 1.00 0.00 O ATOM 724 CB ARG A 46 3.226 3.063 -17.466 1.00 0.00 C ATOM 725 CG ARG A 46 3.676 2.650 -18.870 1.00 0.00 C ATOM 726 CD ARG A 46 4.914 1.757 -18.768 1.00 0.00 C ATOM 727 NE ARG A 46 5.505 1.541 -20.091 1.00 0.00 N ATOM 728 CZ ARG A 46 6.141 2.518 -20.755 1.00 0.00 C ATOM 729 NH1 ARG A 46 6.260 3.721 -20.246 1.00 0.00 N ATOM 730 NH2 ARG A 46 6.648 2.267 -21.931 1.00 0.00 N ATOM 0 H ARG A 46 2.715 4.664 -15.540 1.00 0.00 H new ATOM 0 HA ARG A 46 2.513 4.848 -18.452 1.00 0.00 H new ATOM 0 HB2 ARG A 46 4.093 3.316 -16.855 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.722 2.230 -16.975 1.00 0.00 H new ATOM 0 HG2 ARG A 46 2.872 2.118 -19.379 1.00 0.00 H new ATOM 0 HG3 ARG A 46 3.901 3.534 -19.466 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.648 2.218 -18.107 1.00 0.00 H new ATOM 0 HD3 ARG A 46 4.642 0.799 -18.324 1.00 0.00 H new ATOM 0 HE ARG A 46 5.431 0.619 -20.521 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.865 3.928 -19.329 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.748 4.450 -20.768 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.559 1.335 -22.337 1.00 0.00 H new ATOM 0 HH22 ARG A 46 7.134 3.002 -22.445 1.00 0.00 H new ATOM 744 N GLY A 47 -0.096 4.470 -17.034 1.00 0.00 N ATOM 745 CA GLY A 47 -1.497 4.062 -17.068 1.00 0.00 C ATOM 746 C GLY A 47 -1.682 2.717 -16.377 1.00 0.00 C ATOM 747 O GLY A 47 -2.547 1.924 -16.752 1.00 0.00 O ATOM 0 H GLY A 47 0.088 5.323 -16.506 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.113 4.816 -16.578 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.837 3.995 -18.102 1.00 0.00 H new ATOM 751 N LYS A 48 -0.860 2.467 -15.361 1.00 0.00 N ATOM 752 CA LYS A 48 -0.943 1.210 -14.623 1.00 0.00 C ATOM 753 C LYS A 48 -0.698 1.443 -13.135 1.00 0.00 C ATOM 754 O LYS A 48 -0.522 2.577 -12.688 1.00 0.00 O ATOM 755 CB LYS A 48 0.091 0.209 -15.151 1.00 0.00 C ATOM 756 CG LYS A 48 -0.550 -0.675 -16.223 1.00 0.00 C ATOM 757 CD LYS A 48 -0.225 -0.118 -17.611 1.00 0.00 C ATOM 758 CE LYS A 48 -0.915 -0.970 -18.679 1.00 0.00 C ATOM 759 NZ LYS A 48 -0.699 -0.355 -20.019 1.00 0.00 N ATOM 0 H LYS A 48 -0.138 3.109 -15.033 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.945 0.805 -14.764 1.00 0.00 H new ATOM 0 HB2 LYS A 48 0.947 0.740 -15.568 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.466 -0.407 -14.334 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.181 -1.697 -16.135 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.630 -0.713 -16.079 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.558 0.917 -17.686 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.853 -0.119 -17.771 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -0.517 -1.984 -18.664 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.982 -1.043 -18.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.167 -0.933 -20.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.099 0.605 -20.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.321 -0.307 -20.219 1.00 0.00 H new ATOM 773 N GLU A 49 -0.692 0.351 -12.376 1.00 0.00 N ATOM 774 CA GLU A 49 -0.472 0.434 -10.934 1.00 0.00 C ATOM 775 C GLU A 49 0.632 -0.528 -10.508 1.00 0.00 C ATOM 776 O GLU A 49 1.180 -1.271 -11.322 1.00 0.00 O ATOM 777 CB GLU A 49 -1.755 0.080 -10.177 1.00 0.00 C ATOM 778 CG GLU A 49 -2.855 1.088 -10.525 1.00 0.00 C ATOM 779 CD GLU A 49 -4.192 0.363 -10.647 1.00 0.00 C ATOM 780 OE1 GLU A 49 -4.209 -0.721 -11.207 1.00 0.00 O ATOM 781 OE2 GLU A 49 -5.181 0.903 -10.177 1.00 0.00 O ATOM 0 H GLU A 49 -0.836 -0.595 -12.731 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.178 1.456 -10.697 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -2.076 -0.928 -10.438 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -1.569 0.087 -9.103 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.915 1.857 -9.754 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.617 1.593 -11.461 1.00 0.00 H new ATOM 788 N ALA A 50 0.946 -0.504 -9.217 1.00 0.00 N ATOM 789 CA ALA A 50 1.982 -1.377 -8.676 1.00 0.00 C ATOM 790 C ALA A 50 1.519 -1.971 -7.349 1.00 0.00 C ATOM 791 O ALA A 50 0.785 -1.336 -6.599 1.00 0.00 O ATOM 792 CB ALA A 50 3.279 -0.595 -8.458 1.00 0.00 C ATOM 0 H ALA A 50 0.502 0.105 -8.530 1.00 0.00 H new ATOM 0 HA ALA A 50 2.167 -2.179 -9.390 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.042 -1.261 -8.054 1.00 0.00 H new ATOM 0 HB2 ALA A 50 3.621 -0.186 -9.408 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.099 0.219 -7.756 1.00 0.00 H new ATOM 798 N CYS A 51 1.947 -3.197 -7.072 1.00 0.00 N ATOM 799 CA CYS A 51 1.558 -3.868 -5.832 1.00 0.00 C ATOM 800 C CYS A 51 2.680 -3.816 -4.799 1.00 0.00 C ATOM 801 O CYS A 51 3.863 -3.790 -5.140 1.00 0.00 O ATOM 802 CB CYS A 51 1.211 -5.329 -6.107 1.00 0.00 C ATOM 803 SG CYS A 51 -0.485 -5.445 -6.736 1.00 0.00 S ATOM 0 H CYS A 51 2.557 -3.744 -7.680 1.00 0.00 H new ATOM 0 HA CYS A 51 0.687 -3.345 -5.437 1.00 0.00 H new ATOM 0 HB2 CYS A 51 1.908 -5.748 -6.833 1.00 0.00 H new ATOM 0 HB3 CYS A 51 1.311 -5.915 -5.193 1.00 0.00 H new ATOM 808 N ALA A 52 2.286 -3.809 -3.529 1.00 0.00 N ATOM 809 CA ALA A 52 3.249 -3.769 -2.429 1.00 0.00 C ATOM 810 C ALA A 52 2.587 -4.242 -1.137 1.00 0.00 C ATOM 811 O ALA A 52 1.409 -4.597 -1.122 1.00 0.00 O ATOM 812 CB ALA A 52 3.791 -2.352 -2.232 1.00 0.00 C ATOM 0 H ALA A 52 1.310 -3.830 -3.235 1.00 0.00 H new ATOM 0 HA ALA A 52 4.078 -4.431 -2.679 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.505 -2.347 -1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.287 -2.022 -3.145 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.967 -1.676 -2.002 1.00 0.00 H new ATOM 818 N LEU A 53 3.356 -4.238 -0.049 1.00 0.00 N ATOM 819 CA LEU A 53 2.826 -4.666 1.244 1.00 0.00 C ATOM 820 C LEU A 53 2.130 -3.502 1.950 1.00 0.00 C ATOM 821 O LEU A 53 0.904 -3.415 1.961 1.00 0.00 O ATOM 822 CB LEU A 53 3.950 -5.214 2.131 1.00 0.00 C ATOM 823 CG LEU A 53 4.156 -6.728 2.053 1.00 0.00 C ATOM 824 CD1 LEU A 53 2.843 -7.440 2.383 1.00 0.00 C ATOM 825 CD2 LEU A 53 4.600 -7.108 0.639 1.00 0.00 C ATOM 0 H LEU A 53 4.334 -3.948 -0.036 1.00 0.00 H new ATOM 0 HA LEU A 53 2.098 -5.458 1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.882 -4.721 1.856 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.740 -4.944 3.166 1.00 0.00 H new ATOM 0 HG LEU A 53 4.921 -7.028 2.769 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.990 -8.519 2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.525 -7.169 3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.077 -7.141 1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.747 -8.186 0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 53 3.834 -6.808 -0.076 1.00 0.00 H new ATOM 0 HD23 LEU A 53 5.535 -6.601 0.403 1.00 0.00 H new ATOM 837 N ASP A 54 2.932 -2.611 2.536 1.00 0.00 N ATOM 838 CA ASP A 54 2.404 -1.441 3.248 1.00 0.00 C ATOM 839 C ASP A 54 3.543 -0.656 3.891 1.00 0.00 C ATOM 840 O ASP A 54 3.719 0.534 3.627 1.00 0.00 O ATOM 841 CB ASP A 54 1.405 -1.856 4.338 1.00 0.00 C ATOM 842 CG ASP A 54 0.778 -0.614 4.967 1.00 0.00 C ATOM 843 OD1 ASP A 54 1.451 0.033 5.753 1.00 0.00 O ATOM 844 OD2 ASP A 54 -0.366 -0.327 4.653 1.00 0.00 O ATOM 0 H ASP A 54 3.950 -2.676 2.533 1.00 0.00 H new ATOM 0 HA ASP A 54 1.889 -0.817 2.518 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.628 -2.489 3.910 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.911 -2.446 5.102 1.00 0.00 H new ATOM 849 N THR A 55 4.310 -1.329 4.744 1.00 0.00 N ATOM 850 CA THR A 55 5.423 -0.672 5.423 1.00 0.00 C ATOM 851 C THR A 55 6.744 -1.379 5.112 1.00 0.00 C ATOM 852 O THR A 55 7.530 -1.694 6.008 1.00 0.00 O ATOM 853 CB THR A 55 5.193 -0.667 6.938 1.00 0.00 C ATOM 854 OG1 THR A 55 6.335 -0.123 7.587 1.00 0.00 O ATOM 855 CG2 THR A 55 4.960 -2.098 7.426 1.00 0.00 C ATOM 0 H THR A 55 4.185 -2.314 4.979 1.00 0.00 H new ATOM 0 HA THR A 55 5.479 0.355 5.061 1.00 0.00 H new ATOM 0 HB THR A 55 4.318 -0.060 7.171 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.120 -0.674 7.384 1.00 0.00 H new ATOM 0 HG21 THR A 55 4.797 -2.093 8.504 1.00 0.00 H new ATOM 0 HG22 THR A 55 4.084 -2.514 6.928 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.833 -2.708 7.194 1.00 0.00 H new ATOM 863 N VAL A 56 6.980 -1.623 3.826 1.00 0.00 N ATOM 864 CA VAL A 56 8.209 -2.291 3.394 1.00 0.00 C ATOM 865 C VAL A 56 9.438 -1.483 3.813 1.00 0.00 C ATOM 866 O VAL A 56 10.456 -2.035 4.228 1.00 0.00 O ATOM 867 CB VAL A 56 8.224 -2.449 1.868 1.00 0.00 C ATOM 868 CG1 VAL A 56 7.054 -3.327 1.427 1.00 0.00 C ATOM 869 CG2 VAL A 56 8.093 -1.073 1.206 1.00 0.00 C ATOM 0 H VAL A 56 6.344 -1.372 3.069 1.00 0.00 H new ATOM 0 HA VAL A 56 8.238 -3.272 3.868 1.00 0.00 H new ATOM 0 HB VAL A 56 9.163 -2.914 1.569 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.069 -3.436 0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 56 7.141 -4.309 1.892 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.116 -2.863 1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.104 -1.188 0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.155 -0.610 1.512 1.00 0.00 H new ATOM 0 HG23 VAL A 56 8.927 -0.441 1.512 1.00 0.00 H new ATOM 879 N GLY A 57 9.323 -0.168 3.676 1.00 0.00 N ATOM 880 CA GLY A 57 10.417 0.738 4.013 1.00 0.00 C ATOM 881 C GLY A 57 10.513 1.832 2.961 1.00 0.00 C ATOM 882 O GLY A 57 10.425 3.020 3.270 1.00 0.00 O ATOM 0 H GLY A 57 8.482 0.297 3.333 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.249 1.178 4.996 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.356 0.187 4.067 1.00 0.00 H new ATOM 886 N TRP A 58 10.668 1.414 1.708 1.00 0.00 N ATOM 887 CA TRP A 58 10.743 2.368 0.607 1.00 0.00 C ATOM 888 C TRP A 58 9.380 3.044 0.384 1.00 0.00 C ATOM 889 O TRP A 58 9.292 4.079 -0.275 1.00 0.00 O ATOM 890 CB TRP A 58 11.223 1.678 -0.678 1.00 0.00 C ATOM 891 CG TRP A 58 10.237 0.649 -1.137 1.00 0.00 C ATOM 892 CD1 TRP A 58 10.356 -0.688 -0.959 1.00 0.00 C ATOM 893 CD2 TRP A 58 8.999 0.855 -1.868 1.00 0.00 C ATOM 894 NE1 TRP A 58 9.259 -1.312 -1.535 1.00 0.00 N ATOM 895 CE2 TRP A 58 8.399 -0.400 -2.111 1.00 0.00 C ATOM 896 CE3 TRP A 58 8.349 2.004 -2.339 1.00 0.00 C ATOM 897 CZ2 TRP A 58 7.193 -0.510 -2.801 1.00 0.00 C ATOM 898 CZ3 TRP A 58 7.137 1.901 -3.035 1.00 0.00 C ATOM 899 CH2 TRP A 58 6.560 0.645 -3.268 1.00 0.00 C ATOM 0 H TRP A 58 10.743 0.435 1.432 1.00 0.00 H new ATOM 0 HA TRP A 58 11.468 3.138 0.870 1.00 0.00 H new ATOM 0 HB2 TRP A 58 11.369 2.422 -1.461 1.00 0.00 H new ATOM 0 HB3 TRP A 58 12.190 1.207 -0.502 1.00 0.00 H new ATOM 0 HD1 TRP A 58 11.170 -1.186 -0.453 1.00 0.00 H new ATOM 0 HE1 TRP A 58 9.107 -2.321 -1.533 1.00 0.00 H new ATOM 0 HE3 TRP A 58 8.786 2.976 -2.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 6.751 -1.480 -2.973 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 6.645 2.793 -3.393 1.00 0.00 H new ATOM 0 HH2 TRP A 58 5.628 0.570 -3.808 1.00 0.00 H new ATOM 910 N VAL A 59 8.324 2.460 0.963 1.00 0.00 N ATOM 911 CA VAL A 59 6.983 3.027 0.846 1.00 0.00 C ATOM 912 C VAL A 59 6.885 4.266 1.730 1.00 0.00 C ATOM 913 O VAL A 59 6.320 5.283 1.341 1.00 0.00 O ATOM 914 CB VAL A 59 5.933 1.992 1.295 1.00 0.00 C ATOM 915 CG1 VAL A 59 4.530 2.620 1.366 1.00 0.00 C ATOM 916 CG2 VAL A 59 5.912 0.827 0.304 1.00 0.00 C ATOM 0 H VAL A 59 8.375 1.602 1.512 1.00 0.00 H new ATOM 0 HA VAL A 59 6.794 3.297 -0.193 1.00 0.00 H new ATOM 0 HB VAL A 59 6.205 1.638 2.289 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.810 1.867 1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.535 3.443 2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.249 2.996 0.382 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.170 0.094 0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.656 1.198 -0.688 1.00 0.00 H new ATOM 0 HG23 VAL A 59 6.895 0.358 0.273 1.00 0.00 H new ATOM 926 N GLN A 60 7.438 4.151 2.930 1.00 0.00 N ATOM 927 CA GLN A 60 7.410 5.251 3.890 1.00 0.00 C ATOM 928 C GLN A 60 8.098 6.490 3.324 1.00 0.00 C ATOM 929 O GLN A 60 7.837 7.607 3.762 1.00 0.00 O ATOM 930 CB GLN A 60 8.084 4.824 5.207 1.00 0.00 C ATOM 931 CG GLN A 60 7.039 4.721 6.338 1.00 0.00 C ATOM 932 CD GLN A 60 5.859 3.840 5.909 1.00 0.00 C ATOM 933 OE1 GLN A 60 6.067 2.829 5.107 1.00 0.00 O flip ATOM 934 NE2 GLN A 60 4.722 4.078 6.313 1.00 0.00 N flip ATOM 0 H GLN A 60 7.911 3.311 3.263 1.00 0.00 H new ATOM 0 HA GLN A 60 6.368 5.502 4.089 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.581 3.863 5.074 1.00 0.00 H new ATOM 0 HB3 GLN A 60 8.854 5.546 5.479 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.504 4.305 7.232 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.680 5.716 6.599 1.00 0.00 H new ATOM 0 HE21 GLN A 60 4.558 4.866 6.939 1.00 0.00 H new ATOM 0 HE22 GLN A 60 3.943 3.487 6.022 1.00 0.00 H new ATOM 943 N ARG A 61 8.958 6.290 2.330 1.00 0.00 N ATOM 944 CA ARG A 61 9.642 7.424 1.703 1.00 0.00 C ATOM 945 C ARG A 61 8.782 7.951 0.554 1.00 0.00 C ATOM 946 O ARG A 61 8.796 9.142 0.244 1.00 0.00 O ATOM 947 CB ARG A 61 11.059 7.082 1.156 1.00 0.00 C ATOM 948 CG ARG A 61 11.510 5.660 1.526 1.00 0.00 C ATOM 949 CD ARG A 61 11.665 5.538 3.046 1.00 0.00 C ATOM 950 NE ARG A 61 12.614 4.474 3.380 1.00 0.00 N ATOM 951 CZ ARG A 61 13.210 4.400 4.579 1.00 0.00 C ATOM 952 NH1 ARG A 61 12.960 5.279 5.519 1.00 0.00 N ATOM 953 NH2 ARG A 61 14.053 3.432 4.815 1.00 0.00 N ATOM 0 H ARG A 61 9.197 5.376 1.945 1.00 0.00 H new ATOM 0 HA ARG A 61 9.780 8.173 2.482 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.061 7.189 0.071 1.00 0.00 H new ATOM 0 HB3 ARG A 61 11.779 7.801 1.548 1.00 0.00 H new ATOM 0 HG2 ARG A 61 10.781 4.933 1.167 1.00 0.00 H new ATOM 0 HG3 ARG A 61 12.456 5.431 1.036 1.00 0.00 H new ATOM 0 HD2 ARG A 61 12.011 6.485 3.460 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.697 5.326 3.501 1.00 0.00 H new ATOM 0 HE ARG A 61 12.829 3.766 2.678 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.301 6.038 5.345 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.425 5.204 6.424 1.00 0.00 H new ATOM 0 HH21 ARG A 61 14.253 2.742 4.091 1.00 0.00 H new ATOM 0 HH22 ARG A 61 14.512 3.366 5.723 1.00 0.00 H new ATOM 967 N HIS A 62 8.030 7.044 -0.072 1.00 0.00 N ATOM 968 CA HIS A 62 7.163 7.422 -1.184 1.00 0.00 C ATOM 969 C HIS A 62 5.863 8.034 -0.673 1.00 0.00 C ATOM 970 O HIS A 62 5.343 8.991 -1.246 1.00 0.00 O ATOM 971 CB HIS A 62 6.828 6.194 -2.029 1.00 0.00 C ATOM 972 CG HIS A 62 7.974 5.890 -2.951 1.00 0.00 C ATOM 973 ND1 HIS A 62 9.290 5.900 -2.520 1.00 0.00 N ATOM 974 CD2 HIS A 62 8.016 5.566 -4.282 1.00 0.00 C ATOM 975 CE1 HIS A 62 10.063 5.591 -3.576 1.00 0.00 C ATOM 976 NE2 HIS A 62 9.336 5.375 -4.676 1.00 0.00 N ATOM 0 H HIS A 62 8.005 6.053 0.170 1.00 0.00 H new ATOM 0 HA HIS A 62 7.694 8.157 -1.788 1.00 0.00 H new ATOM 0 HB2 HIS A 62 6.631 5.338 -1.383 1.00 0.00 H new ATOM 0 HB3 HIS A 62 5.921 6.374 -2.606 1.00 0.00 H new ATOM 0 HD2 HIS A 62 7.155 5.473 -4.927 1.00 0.00 H new ATOM 0 HE1 HIS A 62 11.140 5.525 -3.539 1.00 0.00 H new ATOM 0 HE2 HIS A 62 9.676 5.124 -5.604 1.00 0.00 H new ATOM 984 N ARG A 63 5.344 7.469 0.411 1.00 0.00 N ATOM 985 CA ARG A 63 4.099 7.964 0.993 1.00 0.00 C ATOM 986 C ARG A 63 4.344 9.237 1.804 1.00 0.00 C ATOM 987 O ARG A 63 3.420 10.009 2.050 1.00 0.00 O ATOM 988 CB ARG A 63 3.438 6.902 1.877 1.00 0.00 C ATOM 989 CG ARG A 63 4.411 6.412 2.951 1.00 0.00 C ATOM 990 CD ARG A 63 3.981 6.933 4.324 1.00 0.00 C ATOM 991 NE ARG A 63 2.677 6.380 4.701 1.00 0.00 N ATOM 992 CZ ARG A 63 1.930 6.916 5.678 1.00 0.00 C ATOM 993 NH1 ARG A 63 2.338 7.970 6.346 1.00 0.00 N ATOM 994 NH2 ARG A 63 0.777 6.381 5.968 1.00 0.00 N ATOM 0 H ARG A 63 5.759 6.677 0.901 1.00 0.00 H new ATOM 0 HA ARG A 63 3.424 8.196 0.169 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.547 7.317 2.348 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.112 6.062 1.263 1.00 0.00 H new ATOM 0 HG2 ARG A 63 4.438 5.322 2.959 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.420 6.755 2.723 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.727 6.662 5.071 1.00 0.00 H new ATOM 0 HD3 ARG A 63 3.929 8.022 4.306 1.00 0.00 H new ATOM 0 HE ARG A 63 2.326 5.561 4.204 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.238 8.397 6.126 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.755 8.362 7.085 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.451 5.563 5.454 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.201 6.781 6.709 1.00 0.00 H new ATOM 1008 N LYS A 64 5.598 9.474 2.192 1.00 0.00 N ATOM 1009 CA LYS A 64 5.920 10.689 2.933 1.00 0.00 C ATOM 1010 C LYS A 64 5.772 11.892 2.001 1.00 0.00 C ATOM 1011 O LYS A 64 5.429 12.993 2.431 1.00 0.00 O ATOM 1012 CB LYS A 64 7.354 10.639 3.475 1.00 0.00 C ATOM 1013 CG LYS A 64 7.634 11.885 4.321 1.00 0.00 C ATOM 1014 CD LYS A 64 8.625 11.535 5.432 1.00 0.00 C ATOM 1015 CE LYS A 64 8.478 12.535 6.580 1.00 0.00 C ATOM 1016 NZ LYS A 64 8.807 13.904 6.092 1.00 0.00 N ATOM 0 H LYS A 64 6.389 8.856 2.010 1.00 0.00 H new ATOM 0 HA LYS A 64 5.237 10.776 3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.494 9.741 4.077 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.063 10.583 2.649 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.039 12.679 3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.706 12.261 4.752 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.442 10.523 5.792 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.644 11.556 5.045 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.460 12.511 6.969 1.00 0.00 H new ATOM 0 HE3 LYS A 64 9.140 12.261 7.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.956 14.536 6.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.673 13.869 5.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.022 14.264 5.513 1.00 0.00 H new ATOM 1030 N MET A 65 6.026 11.658 0.710 1.00 0.00 N ATOM 1031 CA MET A 65 5.910 12.716 -0.289 1.00 0.00 C ATOM 1032 C MET A 65 4.525 12.675 -0.929 1.00 0.00 C ATOM 1033 O MET A 65 3.830 13.687 -1.010 1.00 0.00 O ATOM 1034 CB MET A 65 6.971 12.539 -1.377 1.00 0.00 C ATOM 1035 CG MET A 65 8.364 12.631 -0.751 1.00 0.00 C ATOM 1036 SD MET A 65 8.916 14.355 -0.758 1.00 0.00 S ATOM 1037 CE MET A 65 8.205 14.826 0.838 1.00 0.00 C ATOM 0 H MET A 65 6.311 10.752 0.338 1.00 0.00 H new ATOM 0 HA MET A 65 6.059 13.676 0.205 1.00 0.00 H new ATOM 0 HB2 MET A 65 6.845 11.575 -1.869 1.00 0.00 H new ATOM 0 HB3 MET A 65 6.853 13.306 -2.143 1.00 0.00 H new ATOM 0 HG2 MET A 65 8.342 12.249 0.270 1.00 0.00 H new ATOM 0 HG3 MET A 65 9.066 12.011 -1.308 1.00 0.00 H new ATOM 0 HE1 MET A 65 7.316 15.435 0.675 1.00 0.00 H new ATOM 0 HE2 MET A 65 7.934 13.929 1.394 1.00 0.00 H new ATOM 0 HE3 MET A 65 8.937 15.399 1.408 1.00 0.00 H new ATOM 1047 N LEU A 66 4.133 11.483 -1.374 1.00 0.00 N ATOM 1048 CA LEU A 66 2.826 11.298 -1.999 1.00 0.00 C ATOM 1049 C LEU A 66 1.775 11.029 -0.929 1.00 0.00 C ATOM 1050 O LEU A 66 2.075 11.014 0.262 1.00 0.00 O ATOM 1051 CB LEU A 66 2.857 10.120 -2.975 1.00 0.00 C ATOM 1052 CG LEU A 66 3.625 10.371 -4.275 1.00 0.00 C ATOM 1053 CD1 LEU A 66 3.030 11.581 -4.994 1.00 0.00 C ATOM 1054 CD2 LEU A 66 5.096 10.644 -3.955 1.00 0.00 C ATOM 0 H LEU A 66 4.698 10.636 -1.314 1.00 0.00 H new ATOM 0 HA LEU A 66 2.576 12.208 -2.545 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.300 9.262 -2.470 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.831 9.848 -3.224 1.00 0.00 H new ATOM 0 HG LEU A 66 3.548 9.492 -4.916 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.577 11.759 -5.920 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.982 11.389 -5.223 1.00 0.00 H new ATOM 0 HD13 LEU A 66 3.106 12.459 -4.353 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.643 10.823 -4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.172 11.522 -3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.523 9.782 -3.442 1.00 0.00 H new ATOM 1066 N ARG A 67 0.536 10.818 -1.360 1.00 0.00 N ATOM 1067 CA ARG A 67 -0.545 10.549 -0.414 1.00 0.00 C ATOM 1068 C ARG A 67 -1.551 9.580 -1.019 1.00 0.00 C ATOM 1069 O ARG A 67 -1.408 9.151 -2.161 1.00 0.00 O ATOM 1070 CB ARG A 67 -1.263 11.845 -0.034 1.00 0.00 C ATOM 1071 CG ARG A 67 -1.730 12.562 -1.303 1.00 0.00 C ATOM 1072 CD ARG A 67 -2.224 13.964 -0.943 1.00 0.00 C ATOM 1073 NE ARG A 67 -1.099 14.895 -0.829 1.00 0.00 N ATOM 1074 CZ ARG A 67 -1.255 16.150 -0.385 1.00 0.00 C ATOM 1075 NH1 ARG A 67 -2.433 16.605 -0.027 1.00 0.00 N ATOM 1076 NH2 ARG A 67 -0.215 16.936 -0.305 1.00 0.00 N ATOM 0 H ARG A 67 0.256 10.827 -2.341 1.00 0.00 H new ATOM 0 HA ARG A 67 -0.106 10.106 0.480 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -2.117 11.626 0.607 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -0.594 12.490 0.536 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -0.911 12.626 -2.020 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.529 11.995 -1.781 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.919 14.317 -1.705 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -2.773 13.931 -0.002 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.167 14.578 -1.096 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.252 16.000 -0.084 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -2.529 17.564 0.308 1.00 0.00 H new ATOM 0 HH21 ARG A 67 0.706 16.593 -0.579 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -0.323 17.893 0.032 1.00 0.00 H new ATOM 1090 N HIS A 68 -2.571 9.235 -0.237 1.00 0.00 N ATOM 1091 CA HIS A 68 -3.598 8.309 -0.707 1.00 0.00 C ATOM 1092 C HIS A 68 -4.300 8.861 -1.947 1.00 0.00 C ATOM 1093 O HIS A 68 -4.905 9.932 -1.914 1.00 0.00 O ATOM 1094 CB HIS A 68 -4.636 8.047 0.393 1.00 0.00 C ATOM 1095 CG HIS A 68 -5.284 9.338 0.830 1.00 0.00 C ATOM 1096 ND1 HIS A 68 -4.899 10.653 0.720 1.00 0.00 N flip ATOM 1097 CD2 HIS A 68 -6.505 9.357 1.488 1.00 0.00 C flip ATOM 1098 CE1 HIS A 68 -5.864 11.474 1.300 1.00 0.00 C flip ATOM 1099 NE2 HIS A 68 -6.808 10.643 1.745 1.00 0.00 N flip ATOM 0 H HIS A 68 -2.708 9.578 0.714 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.106 7.371 -0.965 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -5.397 7.358 0.026 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.156 7.567 1.246 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.104 8.496 1.747 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -5.851 12.551 1.373 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -7.657 10.946 2.222 1.00 0.00 H new ATOM 1107 N CYS A 69 -4.200 8.116 -3.049 1.00 0.00 N ATOM 1108 CA CYS A 69 -4.819 8.535 -4.316 1.00 0.00 C ATOM 1109 C CYS A 69 -6.289 8.935 -4.112 1.00 0.00 C ATOM 1110 O CYS A 69 -6.919 8.518 -3.140 1.00 0.00 O ATOM 1111 CB CYS A 69 -4.758 7.407 -5.356 1.00 0.00 C ATOM 1112 SG CYS A 69 -3.075 6.723 -5.497 1.00 0.00 S ATOM 0 H CYS A 69 -3.702 7.227 -3.095 1.00 0.00 H new ATOM 0 HA CYS A 69 -4.256 9.397 -4.675 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -5.452 6.614 -5.077 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -5.081 7.786 -6.326 1.00 0.00 H new