USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 398 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 44 CYS SG : rot 151:sc= 1.92 USER MOD Set 1.2: A 47 CYS SG : rot -48:sc= -0.129 USER MOD Set 1.3: A 65 CYS SG : rot -133:sc= -1.62! USER MOD Set 1.4: A 68 CYS SG : rot 151:sc= 1.22 USER MOD Set 2.1: A 18 CYS SG : rot 20:sc= -1.19 USER MOD Set 2.2: A 21 CYS SG : rot 180:sc= 0.00669 USER MOD Set 2.3: A 38 HIS : no HD1:sc= -5.44! C(o=-7.6!,f=-11!) USER MOD Set 2.4: A 41 CYS SG : rot -170:sc= -0.926 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.136 USER MOD Single : A 32 TYR OH : rot 180:sc= -0.099 USER MOD Single : A 35 GLN : amide:sc= 0 K(o=0,f=0.63) USER MOD Single : A 45 THR OG1 : rot -140:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot 80:sc= -0.989 USER MOD Single : A 54 GLN : amide:sc= -1.34! K(o=-1.3!,f=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc=-0.00306 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N PRO A 16 3.913 10.777 -3.113 1.00 0.00 N ATOM 194 CA PRO A 16 2.949 10.047 -2.284 1.00 0.00 C ATOM 195 C PRO A 16 3.586 9.476 -1.022 1.00 0.00 C ATOM 196 O PRO A 16 4.809 9.379 -0.922 1.00 0.00 O ATOM 197 CB PRO A 16 2.475 8.917 -3.202 1.00 0.00 C ATOM 198 CG PRO A 16 3.596 8.714 -4.162 1.00 0.00 C ATOM 199 CD PRO A 16 4.216 10.069 -4.368 1.00 0.00 C ATOM 0 HA PRO A 16 2.145 10.692 -1.930 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.268 8.008 -2.637 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.554 9.187 -3.720 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.325 8.007 -3.766 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.233 8.304 -5.104 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.290 9.998 -4.540 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.788 10.580 -5.231 1.00 0.00 H new ATOM 207 N ARG A 17 2.749 9.099 -0.061 1.00 0.00 N ATOM 208 CA ARG A 17 3.231 8.538 1.196 1.00 0.00 C ATOM 209 C ARG A 17 2.448 7.282 1.566 1.00 0.00 C ATOM 210 O ARG A 17 1.227 7.232 1.415 1.00 0.00 O ATOM 211 CB ARG A 17 3.118 9.572 2.317 1.00 0.00 C ATOM 212 CG ARG A 17 3.852 10.871 2.025 1.00 0.00 C ATOM 213 CD ARG A 17 3.966 11.739 3.269 1.00 0.00 C ATOM 214 NE ARG A 17 4.333 13.114 2.944 1.00 0.00 N ATOM 215 CZ ARG A 17 4.787 13.984 3.839 1.00 0.00 C ATOM 216 NH1 ARG A 17 4.931 13.622 5.107 1.00 0.00 N ATOM 217 NH2 ARG A 17 5.101 15.219 3.467 1.00 0.00 N ATOM 0 H ARG A 17 1.734 9.172 -0.129 1.00 0.00 H new ATOM 0 HA ARG A 17 4.279 8.267 1.066 1.00 0.00 H new ATOM 0 HB2 ARG A 17 2.065 9.791 2.492 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.512 9.141 3.238 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.848 10.649 1.642 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.326 11.420 1.244 1.00 0.00 H new ATOM 0 HD2 ARG A 17 3.016 11.734 3.803 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.712 11.314 3.941 1.00 0.00 H new ATOM 0 HE ARG A 17 4.235 13.423 1.977 1.00 0.00 H new ATOM 0 HH11 ARG A 17 4.693 12.673 5.397 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.280 14.292 5.792 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.994 15.501 2.493 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.450 15.886 4.156 1.00 0.00 H new ATOM 231 N CYS A 18 3.159 6.270 2.051 1.00 0.00 N ATOM 232 CA CYS A 18 2.532 5.013 2.443 1.00 0.00 C ATOM 233 C CYS A 18 1.254 5.267 3.238 1.00 0.00 C ATOM 234 O CYS A 18 1.261 6.000 4.226 1.00 0.00 O ATOM 235 CB CYS A 18 3.503 4.171 3.273 1.00 0.00 C ATOM 236 SG CYS A 18 2.864 2.526 3.723 1.00 0.00 S ATOM 0 H CYS A 18 4.170 6.296 2.182 1.00 0.00 H new ATOM 0 HA CYS A 18 2.272 4.467 1.536 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.430 4.048 2.713 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.751 4.715 4.185 1.00 0.00 H new ATOM 0 HG CYS A 18 1.891 2.204 2.923 1.00 0.00 H new ATOM 241 N ALA A 19 0.159 4.655 2.798 1.00 0.00 N ATOM 242 CA ALA A 19 -1.125 4.813 3.469 1.00 0.00 C ATOM 243 C ALA A 19 -1.075 4.258 4.888 1.00 0.00 C ATOM 244 O ALA A 19 -1.942 4.553 5.711 1.00 0.00 O ATOM 245 CB ALA A 19 -2.225 4.128 2.671 1.00 0.00 C ATOM 0 H ALA A 19 0.136 4.046 1.980 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.346 5.879 3.531 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.179 4.254 3.184 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.285 4.573 1.678 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.000 3.065 2.579 1.00 0.00 H new ATOM 251 N ARG A 20 -0.055 3.453 5.168 1.00 0.00 N ATOM 252 CA ARG A 20 0.107 2.856 6.488 1.00 0.00 C ATOM 253 C ARG A 20 0.979 3.735 7.380 1.00 0.00 C ATOM 254 O ARG A 20 0.552 4.167 8.451 1.00 0.00 O ATOM 255 CB ARG A 20 0.725 1.461 6.368 1.00 0.00 C ATOM 256 CG ARG A 20 1.146 0.865 7.701 1.00 0.00 C ATOM 257 CD ARG A 20 -0.059 0.457 8.534 1.00 0.00 C ATOM 258 NE ARG A 20 0.249 -0.647 9.439 1.00 0.00 N ATOM 259 CZ ARG A 20 -0.439 -0.904 10.546 1.00 0.00 C ATOM 260 NH1 ARG A 20 -1.469 -0.141 10.883 1.00 0.00 N ATOM 261 NH2 ARG A 20 -0.097 -1.928 11.318 1.00 0.00 N ATOM 0 H ARG A 20 0.671 3.199 4.498 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.879 2.771 6.944 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.006 0.794 5.892 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.594 1.513 5.712 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.781 -0.004 7.528 1.00 0.00 H new ATOM 0 HG3 ARG A 20 1.743 1.591 8.253 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.407 1.313 9.112 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.875 0.166 7.873 1.00 0.00 H new ATOM 0 HE ARG A 20 1.036 -1.254 9.208 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.736 0.646 10.292 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.995 -0.341 11.734 1.00 0.00 H new ATOM 0 HH21 ARG A 20 0.694 -2.518 11.061 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.626 -2.125 12.168 1.00 0.00 H new ATOM 275 N CYS A 21 2.201 3.996 6.931 1.00 0.00 N ATOM 276 CA CYS A 21 3.134 4.823 7.687 1.00 0.00 C ATOM 277 C CYS A 21 2.989 6.293 7.308 1.00 0.00 C ATOM 278 O CYS A 21 3.031 7.174 8.167 1.00 0.00 O ATOM 279 CB CYS A 21 4.572 4.361 7.441 1.00 0.00 C ATOM 280 SG CYS A 21 4.753 2.558 7.258 1.00 0.00 S ATOM 0 H CYS A 21 2.569 3.647 6.046 1.00 0.00 H new ATOM 0 HA CYS A 21 2.900 4.715 8.746 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.949 4.846 6.541 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.197 4.696 8.269 1.00 0.00 H new ATOM 0 HG CYS A 21 6.003 2.266 7.051 1.00 0.00 H new ATOM 285 N SER A 22 2.817 6.551 6.015 1.00 0.00 N ATOM 286 CA SER A 22 2.669 7.915 5.521 1.00 0.00 C ATOM 287 C SER A 22 3.973 8.692 5.671 1.00 0.00 C ATOM 288 O SER A 22 3.977 9.845 6.103 1.00 0.00 O ATOM 289 CB SER A 22 1.545 8.633 6.271 1.00 0.00 C ATOM 290 OG SER A 22 0.996 9.679 5.488 1.00 0.00 O ATOM 0 H SER A 22 2.777 5.834 5.291 1.00 0.00 H new ATOM 0 HA SER A 22 2.416 7.866 4.462 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.763 7.919 6.530 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.929 9.038 7.207 1.00 0.00 H new ATOM 0 HG SER A 22 0.279 10.121 5.989 1.00 0.00 H new ATOM 296 N LYS A 23 5.080 8.053 5.310 1.00 0.00 N ATOM 297 CA LYS A 23 6.392 8.682 5.403 1.00 0.00 C ATOM 298 C LYS A 23 6.795 9.300 4.067 1.00 0.00 C ATOM 299 O LYS A 23 6.754 10.519 3.898 1.00 0.00 O ATOM 300 CB LYS A 23 7.442 7.657 5.839 1.00 0.00 C ATOM 301 CG LYS A 23 7.178 7.063 7.211 1.00 0.00 C ATOM 302 CD LYS A 23 8.285 6.109 7.629 1.00 0.00 C ATOM 303 CE LYS A 23 9.444 6.851 8.277 1.00 0.00 C ATOM 304 NZ LYS A 23 10.509 5.919 8.739 1.00 0.00 N ATOM 0 H LYS A 23 5.095 7.099 4.950 1.00 0.00 H new ATOM 0 HA LYS A 23 6.335 9.475 6.149 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.479 6.852 5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.423 8.132 5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.091 7.864 7.945 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.225 6.534 7.202 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.888 5.372 8.327 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.644 5.562 6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 23 9.866 7.560 7.564 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.076 7.431 9.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.281 6.463 9.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 10.113 5.259 9.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 10.878 5.384 7.927 1.00 0.00 H new ATOM 318 N THR A 24 7.182 8.451 3.120 1.00 0.00 N ATOM 319 CA THR A 24 7.591 8.914 1.800 1.00 0.00 C ATOM 320 C THR A 24 7.701 7.752 0.820 1.00 0.00 C ATOM 321 O THR A 24 7.984 6.620 1.212 1.00 0.00 O ATOM 322 CB THR A 24 8.942 9.652 1.857 1.00 0.00 C ATOM 323 OG1 THR A 24 9.794 9.040 2.831 1.00 0.00 O ATOM 324 CG2 THR A 24 8.743 11.120 2.202 1.00 0.00 C ATOM 0 H THR A 24 7.221 7.439 3.243 1.00 0.00 H new ATOM 0 HA THR A 24 6.822 9.605 1.455 1.00 0.00 H new ATOM 0 HB THR A 24 9.408 9.586 0.874 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.651 9.514 2.860 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.711 11.620 2.236 1.00 0.00 H new ATOM 0 HG22 THR A 24 8.118 11.591 1.443 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.257 11.203 3.174 1.00 0.00 H new ATOM 332 N LEU A 25 7.475 8.039 -0.458 1.00 0.00 N ATOM 333 CA LEU A 25 7.549 7.017 -1.496 1.00 0.00 C ATOM 334 C LEU A 25 8.324 7.526 -2.707 1.00 0.00 C ATOM 335 O LEU A 25 7.739 7.843 -3.744 1.00 0.00 O ATOM 336 CB LEU A 25 6.143 6.588 -1.919 1.00 0.00 C ATOM 337 CG LEU A 25 5.376 5.723 -0.918 1.00 0.00 C ATOM 338 CD1 LEU A 25 3.883 6.002 -1.007 1.00 0.00 C ATOM 339 CD2 LEU A 25 5.660 4.248 -1.160 1.00 0.00 C ATOM 0 H LEU A 25 7.239 8.971 -0.800 1.00 0.00 H new ATOM 0 HA LEU A 25 8.076 6.156 -1.086 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.556 7.484 -2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.219 6.041 -2.859 1.00 0.00 H new ATOM 0 HG LEU A 25 5.714 5.977 0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.353 5.378 -0.288 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.695 7.052 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.530 5.776 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.106 3.648 -0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.351 3.979 -2.170 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.727 4.059 -1.045 1.00 0.00 H new ATOM 396 N VAL A 30 4.074 1.599 -4.999 1.00 0.00 N ATOM 397 CA VAL A 30 2.842 0.973 -5.464 1.00 0.00 C ATOM 398 C VAL A 30 1.617 1.694 -4.913 1.00 0.00 C ATOM 399 O VAL A 30 1.736 2.606 -4.094 1.00 0.00 O ATOM 400 CB VAL A 30 2.778 -0.511 -5.054 1.00 0.00 C ATOM 401 CG1 VAL A 30 3.815 -1.321 -5.817 1.00 0.00 C ATOM 402 CG2 VAL A 30 2.975 -0.657 -3.552 1.00 0.00 C ATOM 0 HA VAL A 30 2.842 1.043 -6.552 1.00 0.00 H new ATOM 0 HB VAL A 30 1.791 -0.898 -5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.755 -2.366 -5.514 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.623 -1.241 -6.887 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.811 -0.936 -5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.927 -1.711 -3.280 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.948 -0.254 -3.272 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.191 -0.111 -3.027 1.00 0.00 H new ATOM 412 N THR A 31 0.439 1.280 -5.368 1.00 0.00 N ATOM 413 CA THR A 31 -0.809 1.886 -4.922 1.00 0.00 C ATOM 414 C THR A 31 -1.903 0.837 -4.760 1.00 0.00 C ATOM 415 O THR A 31 -2.227 0.114 -5.702 1.00 0.00 O ATOM 416 CB THR A 31 -1.292 2.967 -5.907 1.00 0.00 C ATOM 417 OG1 THR A 31 -2.399 3.681 -5.346 1.00 0.00 O ATOM 418 CG2 THR A 31 -1.701 2.346 -7.234 1.00 0.00 C ATOM 0 H THR A 31 0.323 0.527 -6.046 1.00 0.00 H new ATOM 0 HA THR A 31 -0.608 2.349 -3.956 1.00 0.00 H new ATOM 0 HB THR A 31 -0.469 3.658 -6.087 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.699 4.368 -5.977 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.038 3.129 -7.913 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.847 1.829 -7.672 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.511 1.635 -7.069 1.00 0.00 H new ATOM 426 N TYR A 32 -2.469 0.760 -3.561 1.00 0.00 N ATOM 427 CA TYR A 32 -3.527 -0.203 -3.275 1.00 0.00 C ATOM 428 C TYR A 32 -4.823 0.508 -2.898 1.00 0.00 C ATOM 429 O TYR A 32 -4.855 1.310 -1.964 1.00 0.00 O ATOM 430 CB TYR A 32 -3.099 -1.142 -2.146 1.00 0.00 C ATOM 431 CG TYR A 32 -4.258 -1.816 -1.448 1.00 0.00 C ATOM 432 CD1 TYR A 32 -4.795 -3.001 -1.937 1.00 0.00 C ATOM 433 CD2 TYR A 32 -4.818 -1.268 -0.300 1.00 0.00 C ATOM 434 CE1 TYR A 32 -5.855 -3.620 -1.303 1.00 0.00 C ATOM 435 CE2 TYR A 32 -5.876 -1.882 0.341 1.00 0.00 C ATOM 436 CZ TYR A 32 -6.391 -3.057 -0.164 1.00 0.00 C ATOM 437 OH TYR A 32 -7.447 -3.670 0.471 1.00 0.00 O ATOM 0 H TYR A 32 -2.213 1.353 -2.771 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.705 -0.788 -4.177 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.436 -1.906 -2.552 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.523 -0.577 -1.413 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.376 -3.446 -2.828 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.419 -0.346 0.097 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.262 -4.540 -1.697 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.298 -1.444 1.233 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.705 -3.145 1.258 1.00 0.00 H new ATOM 447 N ARG A 33 -5.890 0.207 -3.631 1.00 0.00 N ATOM 448 CA ARG A 33 -7.189 0.816 -3.374 1.00 0.00 C ATOM 449 C ARG A 33 -7.138 2.324 -3.606 1.00 0.00 C ATOM 450 O ARG A 33 -7.619 3.105 -2.785 1.00 0.00 O ATOM 451 CB ARG A 33 -7.639 0.525 -1.942 1.00 0.00 C ATOM 452 CG ARG A 33 -8.459 -0.748 -1.808 1.00 0.00 C ATOM 453 CD ARG A 33 -8.978 -0.930 -0.390 1.00 0.00 C ATOM 454 NE ARG A 33 -9.880 -2.074 -0.280 1.00 0.00 N ATOM 455 CZ ARG A 33 -11.179 -2.013 -0.550 1.00 0.00 C ATOM 456 NH1 ARG A 33 -11.725 -0.871 -0.944 1.00 0.00 N ATOM 457 NH2 ARG A 33 -11.935 -3.097 -0.426 1.00 0.00 N ATOM 0 H ARG A 33 -5.880 -0.455 -4.407 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.909 0.383 -4.068 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.760 0.450 -1.302 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.228 1.367 -1.577 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.298 -0.716 -2.503 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.848 -1.607 -2.086 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.137 -1.065 0.289 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.499 -0.026 -0.076 1.00 0.00 H new ATOM 0 HE ARG A 33 -9.491 -2.968 0.020 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -11.147 -0.036 -1.041 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -12.723 -0.827 -1.151 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -11.518 -3.977 -0.123 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.933 -3.050 -0.633 1.00 0.00 H new ATOM 471 N ASP A 34 -6.552 2.725 -4.729 1.00 0.00 N ATOM 472 CA ASP A 34 -6.438 4.138 -5.069 1.00 0.00 C ATOM 473 C ASP A 34 -5.665 4.896 -3.994 1.00 0.00 C ATOM 474 O ASP A 34 -5.948 6.061 -3.718 1.00 0.00 O ATOM 475 CB ASP A 34 -7.826 4.755 -5.247 1.00 0.00 C ATOM 476 CG ASP A 34 -7.765 6.170 -5.789 1.00 0.00 C ATOM 477 OD1 ASP A 34 -7.287 6.348 -6.929 1.00 0.00 O ATOM 478 OD2 ASP A 34 -8.195 7.099 -5.073 1.00 0.00 O ATOM 0 H ASP A 34 -6.149 2.091 -5.419 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.890 4.217 -6.008 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.412 4.134 -5.925 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -8.345 4.758 -4.288 1.00 0.00 H new ATOM 483 N GLN A 35 -4.689 4.225 -3.390 1.00 0.00 N ATOM 484 CA GLN A 35 -3.878 4.834 -2.343 1.00 0.00 C ATOM 485 C GLN A 35 -2.448 4.304 -2.385 1.00 0.00 C ATOM 486 O GLN A 35 -2.202 3.137 -2.689 1.00 0.00 O ATOM 487 CB GLN A 35 -4.494 4.567 -0.969 1.00 0.00 C ATOM 488 CG GLN A 35 -5.902 5.118 -0.816 1.00 0.00 C ATOM 489 CD GLN A 35 -5.916 6.566 -0.366 1.00 0.00 C ATOM 490 OE1 GLN A 35 -5.860 7.483 -1.185 1.00 0.00 O ATOM 491 NE2 GLN A 35 -5.992 6.778 0.943 1.00 0.00 N ATOM 0 H GLN A 35 -4.441 3.260 -3.608 1.00 0.00 H new ATOM 0 HA GLN A 35 -3.853 5.910 -2.518 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.512 3.492 -0.791 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.856 5.006 -0.202 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -6.427 5.032 -1.767 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.449 4.512 -0.094 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.037 5.987 1.586 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -6.006 7.731 1.305 1.00 0.00 H new ATOM 500 N PRO A 36 -1.482 5.181 -2.072 1.00 0.00 N ATOM 501 CA PRO A 36 -0.061 4.823 -2.067 1.00 0.00 C ATOM 502 C PRO A 36 0.294 3.876 -0.926 1.00 0.00 C ATOM 503 O PRO A 36 -0.051 4.124 0.229 1.00 0.00 O ATOM 504 CB PRO A 36 0.643 6.170 -1.882 1.00 0.00 C ATOM 505 CG PRO A 36 -0.359 7.029 -1.191 1.00 0.00 C ATOM 506 CD PRO A 36 -1.703 6.588 -1.700 1.00 0.00 C ATOM 0 HA PRO A 36 0.230 4.295 -2.975 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.551 6.064 -1.288 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.938 6.598 -2.840 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.294 6.912 -0.109 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.186 8.083 -1.409 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.474 6.685 -0.936 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.024 7.184 -2.554 1.00 0.00 H new ATOM 514 N TRP A 37 0.986 2.791 -1.257 1.00 0.00 N ATOM 515 CA TRP A 37 1.388 1.807 -0.259 1.00 0.00 C ATOM 516 C TRP A 37 2.860 1.443 -0.415 1.00 0.00 C ATOM 517 O TRP A 37 3.420 1.535 -1.508 1.00 0.00 O ATOM 518 CB TRP A 37 0.524 0.550 -0.376 1.00 0.00 C ATOM 519 CG TRP A 37 -0.775 0.651 0.365 1.00 0.00 C ATOM 520 CD1 TRP A 37 -1.867 1.389 0.008 1.00 0.00 C ATOM 521 CD2 TRP A 37 -1.117 -0.007 1.590 1.00 0.00 C ATOM 522 NE1 TRP A 37 -2.867 1.230 0.937 1.00 0.00 N ATOM 523 CE2 TRP A 37 -2.432 0.378 1.917 1.00 0.00 C ATOM 524 CE3 TRP A 37 -0.441 -0.885 2.442 1.00 0.00 C ATOM 525 CZ2 TRP A 37 -3.080 -0.085 3.059 1.00 0.00 C ATOM 526 CZ3 TRP A 37 -1.085 -1.343 3.575 1.00 0.00 C ATOM 527 CH2 TRP A 37 -2.394 -0.943 3.875 1.00 0.00 C ATOM 0 H TRP A 37 1.280 2.571 -2.209 1.00 0.00 H new ATOM 0 HA TRP A 37 1.245 2.248 0.728 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.319 0.355 -1.429 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.085 -0.304 0.003 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.935 2.007 -0.875 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.784 1.674 0.902 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.568 -1.200 2.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.089 0.222 3.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.571 -2.021 4.241 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.871 -1.319 4.768 1.00 0.00 H new ATOM 538 N HIS A 38 3.483 1.029 0.684 1.00 0.00 N ATOM 539 CA HIS A 38 4.891 0.650 0.667 1.00 0.00 C ATOM 540 C HIS A 38 5.063 -0.781 0.168 1.00 0.00 C ATOM 541 O HIS A 38 4.574 -1.727 0.787 1.00 0.00 O ATOM 542 CB HIS A 38 5.495 0.791 2.065 1.00 0.00 C ATOM 543 CG HIS A 38 6.085 2.143 2.329 1.00 0.00 C ATOM 544 ND1 HIS A 38 6.079 2.736 3.573 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.702 3.017 1.499 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.666 3.917 3.498 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.053 4.112 2.250 1.00 0.00 N ATOM 0 H HIS A 38 3.035 0.948 1.597 1.00 0.00 H new ATOM 0 HA HIS A 38 5.414 1.319 -0.016 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.723 0.589 2.807 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.268 0.034 2.196 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.884 2.879 0.443 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.806 4.606 4.318 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.534 4.941 1.901 1.00 0.00 H new ATOM 555 N ARG A 39 5.760 -0.932 -0.953 1.00 0.00 N ATOM 556 CA ARG A 39 5.994 -2.248 -1.536 1.00 0.00 C ATOM 557 C ARG A 39 6.153 -3.305 -0.447 1.00 0.00 C ATOM 558 O ARG A 39 5.592 -4.396 -0.541 1.00 0.00 O ATOM 559 CB ARG A 39 7.241 -2.222 -2.422 1.00 0.00 C ATOM 560 CG ARG A 39 6.953 -1.853 -3.868 1.00 0.00 C ATOM 561 CD ARG A 39 7.064 -0.353 -4.093 1.00 0.00 C ATOM 562 NE ARG A 39 8.439 0.060 -4.358 1.00 0.00 N ATOM 563 CZ ARG A 39 9.260 0.526 -3.424 1.00 0.00 C ATOM 564 NH1 ARG A 39 8.846 0.637 -2.169 1.00 0.00 N ATOM 565 NH2 ARG A 39 10.498 0.882 -3.743 1.00 0.00 N ATOM 0 H ARG A 39 6.173 -0.160 -1.476 1.00 0.00 H new ATOM 0 HA ARG A 39 5.128 -2.507 -2.146 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.955 -1.509 -2.009 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.717 -3.202 -2.394 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.652 -2.373 -4.523 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.952 -2.189 -4.138 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.431 -0.064 -4.932 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.690 0.174 -3.215 1.00 0.00 H new ATOM 0 HE ARG A 39 8.788 -0.013 -5.313 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.895 0.364 -1.920 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.478 0.995 -1.453 1.00 0.00 H new ATOM 0 HH21 ARG A 39 10.820 0.798 -4.707 1.00 0.00 H new ATOM 0 HH22 ARG A 39 11.127 1.240 -3.024 1.00 0.00 H new ATOM 579 N GLU A 40 6.921 -2.972 0.586 1.00 0.00 N ATOM 580 CA GLU A 40 7.155 -3.893 1.692 1.00 0.00 C ATOM 581 C GLU A 40 5.898 -4.050 2.544 1.00 0.00 C ATOM 582 O GLU A 40 5.474 -5.166 2.846 1.00 0.00 O ATOM 583 CB GLU A 40 8.314 -3.399 2.560 1.00 0.00 C ATOM 584 CG GLU A 40 8.080 -2.025 3.164 1.00 0.00 C ATOM 585 CD GLU A 40 9.361 -1.377 3.653 1.00 0.00 C ATOM 586 OE1 GLU A 40 10.113 -2.039 4.397 1.00 0.00 O ATOM 587 OE2 GLU A 40 9.610 -0.208 3.291 1.00 0.00 O ATOM 0 H GLU A 40 7.391 -2.072 0.680 1.00 0.00 H new ATOM 0 HA GLU A 40 7.413 -4.865 1.273 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.486 -4.115 3.364 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.222 -3.372 1.958 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.612 -1.380 2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.381 -2.112 3.996 1.00 0.00 H new ATOM 594 N CYS A 41 5.307 -2.924 2.928 1.00 0.00 N ATOM 595 CA CYS A 41 4.100 -2.934 3.746 1.00 0.00 C ATOM 596 C CYS A 41 2.989 -3.730 3.067 1.00 0.00 C ATOM 597 O CYS A 41 2.422 -4.651 3.655 1.00 0.00 O ATOM 598 CB CYS A 41 3.627 -1.503 4.012 1.00 0.00 C ATOM 599 SG CYS A 41 4.671 -0.582 5.187 1.00 0.00 S ATOM 0 H CYS A 41 5.644 -1.992 2.686 1.00 0.00 H new ATOM 0 HA CYS A 41 4.339 -3.413 4.695 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.596 -0.960 3.067 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.607 -1.534 4.395 1.00 0.00 H new ATOM 0 HG CYS A 41 4.080 0.528 5.515 1.00 0.00 H new ATOM 604 N LEU A 42 2.685 -3.369 1.825 1.00 0.00 N ATOM 605 CA LEU A 42 1.643 -4.050 1.064 1.00 0.00 C ATOM 606 C LEU A 42 1.846 -5.561 1.093 1.00 0.00 C ATOM 607 O LEU A 42 2.631 -6.107 0.318 1.00 0.00 O ATOM 608 CB LEU A 42 1.633 -3.552 -0.383 1.00 0.00 C ATOM 609 CG LEU A 42 0.549 -4.140 -1.287 1.00 0.00 C ATOM 610 CD1 LEU A 42 -0.833 -3.741 -0.793 1.00 0.00 C ATOM 611 CD2 LEU A 42 0.754 -3.691 -2.726 1.00 0.00 C ATOM 0 H LEU A 42 3.145 -2.609 1.324 1.00 0.00 H new ATOM 0 HA LEU A 42 0.682 -3.823 1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.521 -2.468 -0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.605 -3.767 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 42 0.624 -5.227 -1.253 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.591 -4.169 -1.449 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.978 -4.113 0.221 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.921 -2.655 -0.797 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.026 -4.119 -3.355 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.706 -2.603 -2.778 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.729 -4.029 -3.077 1.00 0.00 H new ATOM 623 N VAL A 43 1.132 -6.232 1.991 1.00 0.00 N ATOM 624 CA VAL A 43 1.231 -7.681 2.119 1.00 0.00 C ATOM 625 C VAL A 43 -0.109 -8.291 2.515 1.00 0.00 C ATOM 626 O VAL A 43 -0.927 -7.646 3.172 1.00 0.00 O ATOM 627 CB VAL A 43 2.293 -8.081 3.161 1.00 0.00 C ATOM 628 CG1 VAL A 43 3.646 -7.486 2.801 1.00 0.00 C ATOM 629 CG2 VAL A 43 1.863 -7.644 4.553 1.00 0.00 C ATOM 0 H VAL A 43 0.478 -5.795 2.641 1.00 0.00 H new ATOM 0 HA VAL A 43 1.527 -8.065 1.143 1.00 0.00 H new ATOM 0 HB VAL A 43 2.389 -9.167 3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.383 -7.779 3.548 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.956 -7.853 1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.570 -6.399 2.774 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.624 -7.934 5.277 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.738 -6.561 4.572 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.918 -8.123 4.809 1.00 0.00 H new ATOM 639 N CYS A 44 -0.327 -9.538 2.113 1.00 0.00 N ATOM 640 CA CYS A 44 -1.567 -10.237 2.425 1.00 0.00 C ATOM 641 C CYS A 44 -1.855 -10.191 3.923 1.00 0.00 C ATOM 642 O CYS A 44 -0.939 -10.237 4.745 1.00 0.00 O ATOM 643 CB CYS A 44 -1.491 -11.691 1.954 1.00 0.00 C ATOM 644 SG CYS A 44 -3.002 -12.657 2.275 1.00 0.00 S ATOM 0 H CYS A 44 0.340 -10.086 1.570 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.380 -9.734 1.900 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.284 -11.705 0.884 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.650 -12.178 2.447 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.126 -13.582 1.370 1.00 0.00 H new ATOM 649 N THR A 45 -3.135 -10.101 4.272 1.00 0.00 N ATOM 650 CA THR A 45 -3.545 -10.049 5.670 1.00 0.00 C ATOM 651 C THR A 45 -3.771 -11.448 6.229 1.00 0.00 C ATOM 652 O THR A 45 -4.456 -11.621 7.237 1.00 0.00 O ATOM 653 CB THR A 45 -4.832 -9.222 5.847 1.00 0.00 C ATOM 654 OG1 THR A 45 -4.835 -8.117 4.936 1.00 0.00 O ATOM 655 CG2 THR A 45 -4.954 -8.710 7.274 1.00 0.00 C ATOM 0 H THR A 45 -3.906 -10.063 3.605 1.00 0.00 H new ATOM 0 HA THR A 45 -2.735 -9.569 6.220 1.00 0.00 H new ATOM 0 HB THR A 45 -5.684 -9.868 5.635 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.194 -7.324 5.385 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.871 -8.129 7.375 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.982 -9.555 7.962 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.097 -8.079 7.509 1.00 0.00 H new ATOM 663 N GLY A 46 -3.191 -12.446 5.569 1.00 0.00 N ATOM 664 CA GLY A 46 -3.341 -13.818 6.017 1.00 0.00 C ATOM 665 C GLY A 46 -2.017 -14.553 6.090 1.00 0.00 C ATOM 666 O GLY A 46 -1.663 -15.107 7.131 1.00 0.00 O ATOM 0 H GLY A 46 -2.620 -12.329 4.732 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.812 -13.826 7.000 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.010 -14.347 5.338 1.00 0.00 H new ATOM 670 N CYS A 47 -1.284 -14.560 4.981 1.00 0.00 N ATOM 671 CA CYS A 47 0.007 -15.233 4.922 1.00 0.00 C ATOM 672 C CYS A 47 1.151 -14.226 5.006 1.00 0.00 C ATOM 673 O CYS A 47 2.313 -14.603 5.152 1.00 0.00 O ATOM 674 CB CYS A 47 0.123 -16.046 3.631 1.00 0.00 C ATOM 675 SG CYS A 47 -0.113 -15.068 2.113 1.00 0.00 S ATOM 0 H CYS A 47 -1.563 -14.107 4.111 1.00 0.00 H new ATOM 0 HA CYS A 47 0.076 -15.907 5.776 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.105 -16.517 3.598 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.615 -16.848 3.652 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.178 -14.333 2.232 1.00 0.00 H new ATOM 680 N GLN A 48 0.811 -12.945 4.914 1.00 0.00 N ATOM 681 CA GLN A 48 1.809 -11.884 4.979 1.00 0.00 C ATOM 682 C GLN A 48 2.746 -11.944 3.778 1.00 0.00 C ATOM 683 O GLN A 48 3.968 -11.891 3.926 1.00 0.00 O ATOM 684 CB GLN A 48 2.614 -11.991 6.275 1.00 0.00 C ATOM 685 CG GLN A 48 1.765 -11.873 7.531 1.00 0.00 C ATOM 686 CD GLN A 48 1.326 -10.448 7.807 1.00 0.00 C ATOM 687 OE1 GLN A 48 2.144 -9.587 8.134 1.00 0.00 O ATOM 688 NE2 GLN A 48 0.030 -10.191 7.676 1.00 0.00 N ATOM 0 H GLN A 48 -0.147 -12.617 4.794 1.00 0.00 H new ATOM 0 HA GLN A 48 1.287 -10.927 4.962 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.138 -12.947 6.289 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.374 -11.210 6.286 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.884 -12.507 7.431 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.331 -12.246 8.384 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.612 -10.935 7.403 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.323 -9.250 7.848 1.00 0.00 H new ATOM 697 N THR A 49 2.167 -12.054 2.586 1.00 0.00 N ATOM 698 CA THR A 49 2.951 -12.123 1.359 1.00 0.00 C ATOM 699 C THR A 49 2.878 -10.812 0.586 1.00 0.00 C ATOM 700 O THR A 49 1.832 -10.167 0.507 1.00 0.00 O ATOM 701 CB THR A 49 2.471 -13.270 0.450 1.00 0.00 C ATOM 702 OG1 THR A 49 3.428 -13.505 -0.589 1.00 0.00 O ATOM 703 CG2 THR A 49 1.118 -12.943 -0.165 1.00 0.00 C ATOM 0 H THR A 49 1.158 -12.097 2.445 1.00 0.00 H new ATOM 0 HA THR A 49 3.984 -12.311 1.653 1.00 0.00 H new ATOM 0 HB THR A 49 2.368 -14.168 1.059 1.00 0.00 H new ATOM 0 HG1 THR A 49 4.169 -14.040 -0.236 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.799 -13.767 -0.803 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.385 -12.793 0.627 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.199 -12.034 -0.761 1.00 0.00 H new ATOM 711 N PRO A 50 4.013 -10.406 -0.001 1.00 0.00 N ATOM 712 CA PRO A 50 4.103 -9.167 -0.780 1.00 0.00 C ATOM 713 C PRO A 50 3.339 -9.254 -2.097 1.00 0.00 C ATOM 714 O PRO A 50 3.713 -10.010 -2.995 1.00 0.00 O ATOM 715 CB PRO A 50 5.604 -9.020 -1.042 1.00 0.00 C ATOM 716 CG PRO A 50 6.139 -10.409 -0.970 1.00 0.00 C ATOM 717 CD PRO A 50 5.298 -11.124 0.051 1.00 0.00 C ATOM 0 HA PRO A 50 3.664 -8.321 -0.251 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.794 -8.573 -2.018 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.074 -8.376 -0.299 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.078 -10.902 -1.940 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.189 -10.408 -0.679 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.179 -12.179 -0.195 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.745 -11.076 1.044 1.00 0.00 H new ATOM 725 N LEU A 51 2.267 -8.477 -2.206 1.00 0.00 N ATOM 726 CA LEU A 51 1.450 -8.466 -3.415 1.00 0.00 C ATOM 727 C LEU A 51 1.873 -7.336 -4.348 1.00 0.00 C ATOM 728 O LEU A 51 1.139 -6.967 -5.264 1.00 0.00 O ATOM 729 CB LEU A 51 -0.029 -8.318 -3.053 1.00 0.00 C ATOM 730 CG LEU A 51 -0.531 -9.198 -1.908 1.00 0.00 C ATOM 731 CD1 LEU A 51 -1.667 -8.511 -1.165 1.00 0.00 C ATOM 732 CD2 LEU A 51 -0.979 -10.554 -2.434 1.00 0.00 C ATOM 0 H LEU A 51 1.943 -7.847 -1.472 1.00 0.00 H new ATOM 0 HA LEU A 51 1.598 -9.414 -3.933 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.216 -7.276 -2.793 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.623 -8.537 -3.940 1.00 0.00 H new ATOM 0 HG LEU A 51 0.291 -9.355 -1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.011 -9.152 -0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.314 -7.565 -0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.491 -8.323 -1.853 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.333 -11.167 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.786 -10.417 -3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.140 -11.051 -2.920 1.00 0.00 H new ATOM 744 N ALA A 52 3.061 -6.792 -4.108 1.00 0.00 N ATOM 745 CA ALA A 52 3.584 -5.707 -4.930 1.00 0.00 C ATOM 746 C ALA A 52 3.383 -5.996 -6.413 1.00 0.00 C ATOM 747 O ALA A 52 4.145 -6.750 -7.017 1.00 0.00 O ATOM 748 CB ALA A 52 5.058 -5.479 -4.628 1.00 0.00 C ATOM 0 H ALA A 52 3.680 -7.084 -3.352 1.00 0.00 H new ATOM 0 HA ALA A 52 3.031 -4.800 -4.686 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.435 -4.666 -5.249 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.178 -5.218 -3.576 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.618 -6.389 -4.842 1.00 0.00 H new ATOM 754 N GLY A 53 2.353 -5.391 -6.996 1.00 0.00 N ATOM 755 CA GLY A 53 2.071 -5.597 -8.405 1.00 0.00 C ATOM 756 C GLY A 53 1.697 -7.033 -8.717 1.00 0.00 C ATOM 757 O GLY A 53 2.081 -7.568 -9.756 1.00 0.00 O ATOM 0 H GLY A 53 1.708 -4.762 -6.518 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.258 -4.938 -8.710 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.945 -5.317 -8.992 1.00 0.00 H new ATOM 761 N GLN A 54 0.948 -7.657 -7.814 1.00 0.00 N ATOM 762 CA GLN A 54 0.525 -9.040 -7.998 1.00 0.00 C ATOM 763 C GLN A 54 -0.994 -9.137 -8.095 1.00 0.00 C ATOM 764 O GLN A 54 -1.713 -8.274 -7.591 1.00 0.00 O ATOM 765 CB GLN A 54 1.030 -9.908 -6.845 1.00 0.00 C ATOM 766 CG GLN A 54 0.488 -11.328 -6.869 1.00 0.00 C ATOM 767 CD GLN A 54 1.376 -12.304 -6.122 1.00 0.00 C ATOM 768 OE1 GLN A 54 2.218 -12.976 -6.718 1.00 0.00 O ATOM 769 NE2 GLN A 54 1.191 -12.388 -4.810 1.00 0.00 N ATOM 0 H GLN A 54 0.622 -7.227 -6.948 1.00 0.00 H new ATOM 0 HA GLN A 54 0.954 -9.403 -8.932 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.119 -9.943 -6.878 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.755 -9.439 -5.900 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.509 -11.340 -6.429 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.384 -11.656 -7.903 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.481 -11.812 -4.357 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.758 -13.029 -4.255 1.00 0.00 H new ATOM 778 N GLN A 55 -1.475 -10.191 -8.747 1.00 0.00 N ATOM 779 CA GLN A 55 -2.909 -10.398 -8.910 1.00 0.00 C ATOM 780 C GLN A 55 -3.542 -10.874 -7.607 1.00 0.00 C ATOM 781 O GLN A 55 -3.349 -12.017 -7.191 1.00 0.00 O ATOM 782 CB GLN A 55 -3.175 -11.416 -10.021 1.00 0.00 C ATOM 783 CG GLN A 55 -4.564 -11.304 -10.628 1.00 0.00 C ATOM 784 CD GLN A 55 -4.669 -11.991 -11.976 1.00 0.00 C ATOM 785 OE1 GLN A 55 -4.922 -13.193 -12.054 1.00 0.00 O ATOM 786 NE2 GLN A 55 -4.476 -11.229 -13.046 1.00 0.00 N ATOM 0 H GLN A 55 -0.893 -10.914 -9.170 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.359 -9.444 -9.184 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.432 -11.285 -10.808 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.042 -12.421 -9.621 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.292 -11.741 -9.944 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.824 -10.251 -10.740 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.269 -10.237 -12.935 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.535 -11.636 -13.979 1.00 0.00 H new ATOM 795 N PHE A 56 -4.300 -9.990 -6.965 1.00 0.00 N ATOM 796 CA PHE A 56 -4.960 -10.319 -5.708 1.00 0.00 C ATOM 797 C PHE A 56 -6.278 -9.562 -5.571 1.00 0.00 C ATOM 798 O PHE A 56 -6.648 -8.773 -6.442 1.00 0.00 O ATOM 799 CB PHE A 56 -4.046 -9.991 -4.526 1.00 0.00 C ATOM 800 CG PHE A 56 -3.817 -8.519 -4.335 1.00 0.00 C ATOM 801 CD1 PHE A 56 -4.723 -7.749 -3.625 1.00 0.00 C ATOM 802 CD2 PHE A 56 -2.694 -7.905 -4.867 1.00 0.00 C ATOM 803 CE1 PHE A 56 -4.515 -6.395 -3.449 1.00 0.00 C ATOM 804 CE2 PHE A 56 -2.480 -6.551 -4.695 1.00 0.00 C ATOM 805 CZ PHE A 56 -3.391 -5.795 -3.984 1.00 0.00 C ATOM 0 H PHE A 56 -4.472 -9.040 -7.295 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.173 -11.388 -5.708 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.481 -10.404 -3.616 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.085 -10.484 -4.673 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.603 -8.213 -3.204 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -1.978 -8.492 -5.423 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.230 -5.806 -2.894 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.602 -6.085 -5.116 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.225 -4.737 -3.846 1.00 0.00 H new ATOM 815 N THR A 57 -6.985 -9.809 -4.472 1.00 0.00 N ATOM 816 CA THR A 57 -8.262 -9.153 -4.222 1.00 0.00 C ATOM 817 C THR A 57 -8.356 -8.667 -2.780 1.00 0.00 C ATOM 818 O THR A 57 -7.750 -9.246 -1.879 1.00 0.00 O ATOM 819 CB THR A 57 -9.444 -10.096 -4.512 1.00 0.00 C ATOM 820 OG1 THR A 57 -10.682 -9.424 -4.254 1.00 0.00 O ATOM 821 CG2 THR A 57 -9.356 -11.353 -3.660 1.00 0.00 C ATOM 0 H THR A 57 -6.694 -10.459 -3.741 1.00 0.00 H new ATOM 0 HA THR A 57 -8.316 -8.298 -4.896 1.00 0.00 H new ATOM 0 HB THR A 57 -9.400 -10.385 -5.562 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.429 -10.030 -4.443 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.202 -12.003 -3.883 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.427 -11.878 -3.881 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.376 -11.080 -2.605 1.00 0.00 H new ATOM 829 N SER A 58 -9.122 -7.601 -2.569 1.00 0.00 N ATOM 830 CA SER A 58 -9.293 -7.035 -1.236 1.00 0.00 C ATOM 831 C SER A 58 -10.665 -7.387 -0.669 1.00 0.00 C ATOM 832 O SER A 58 -11.642 -7.510 -1.408 1.00 0.00 O ATOM 833 CB SER A 58 -9.120 -5.516 -1.277 1.00 0.00 C ATOM 834 OG SER A 58 -10.046 -4.921 -2.170 1.00 0.00 O ATOM 0 H SER A 58 -9.634 -7.112 -3.304 1.00 0.00 H new ATOM 0 HA SER A 58 -8.529 -7.462 -0.586 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.258 -5.104 -0.277 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.104 -5.271 -1.585 1.00 0.00 H new ATOM 0 HG SER A 58 -9.916 -3.950 -2.177 1.00 0.00 H new ATOM 840 N ARG A 59 -10.731 -7.547 0.649 1.00 0.00 N ATOM 841 CA ARG A 59 -11.982 -7.886 1.316 1.00 0.00 C ATOM 842 C ARG A 59 -12.116 -7.132 2.636 1.00 0.00 C ATOM 843 O ARG A 59 -11.205 -7.144 3.464 1.00 0.00 O ATOM 844 CB ARG A 59 -12.059 -9.393 1.567 1.00 0.00 C ATOM 845 CG ARG A 59 -13.466 -9.891 1.855 1.00 0.00 C ATOM 846 CD ARG A 59 -14.209 -10.233 0.573 1.00 0.00 C ATOM 847 NE ARG A 59 -15.641 -10.409 0.801 1.00 0.00 N ATOM 848 CZ ARG A 59 -16.391 -11.276 0.129 1.00 0.00 C ATOM 849 NH1 ARG A 59 -15.847 -12.041 -0.808 1.00 0.00 N ATOM 850 NH2 ARG A 59 -17.687 -11.378 0.393 1.00 0.00 N ATOM 0 H ARG A 59 -9.932 -7.447 1.276 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.804 -7.591 0.664 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.668 -9.918 0.696 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.414 -9.646 2.408 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -13.417 -10.772 2.495 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -14.018 -9.128 2.404 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -14.053 -9.440 -0.159 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -13.795 -11.147 0.147 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.090 -9.835 1.515 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -14.851 -11.965 -1.014 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.425 -12.706 -1.323 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.109 -10.791 1.112 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.262 -12.044 -0.123 1.00 0.00 H new ATOM 864 N ASP A 60 -13.256 -6.476 2.824 1.00 0.00 N ATOM 865 CA ASP A 60 -13.510 -5.717 4.043 1.00 0.00 C ATOM 866 C ASP A 60 -12.372 -4.739 4.321 1.00 0.00 C ATOM 867 O ASP A 60 -11.958 -4.563 5.466 1.00 0.00 O ATOM 868 CB ASP A 60 -13.686 -6.664 5.232 1.00 0.00 C ATOM 869 CG ASP A 60 -15.106 -7.179 5.356 1.00 0.00 C ATOM 870 OD1 ASP A 60 -16.018 -6.357 5.587 1.00 0.00 O ATOM 871 OD2 ASP A 60 -15.306 -8.405 5.222 1.00 0.00 O ATOM 0 H ASP A 60 -14.019 -6.455 2.147 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.429 -5.148 3.902 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -13.005 -7.508 5.125 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.409 -6.145 6.150 1.00 0.00 H new ATOM 876 N GLU A 61 -11.872 -4.106 3.264 1.00 0.00 N ATOM 877 CA GLU A 61 -10.781 -3.147 3.395 1.00 0.00 C ATOM 878 C GLU A 61 -9.496 -3.842 3.834 1.00 0.00 C ATOM 879 O GLU A 61 -8.794 -3.365 4.726 1.00 0.00 O ATOM 880 CB GLU A 61 -11.152 -2.054 4.399 1.00 0.00 C ATOM 881 CG GLU A 61 -12.461 -1.351 4.079 1.00 0.00 C ATOM 882 CD GLU A 61 -12.497 0.076 4.590 1.00 0.00 C ATOM 883 OE1 GLU A 61 -11.480 0.785 4.439 1.00 0.00 O ATOM 884 OE2 GLU A 61 -13.541 0.483 5.140 1.00 0.00 O ATOM 0 H GLU A 61 -12.204 -4.240 2.309 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.612 -2.692 2.419 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.220 -2.494 5.394 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.351 -1.315 4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.614 -1.350 3.000 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.287 -1.911 4.518 1.00 0.00 H new ATOM 891 N ASP A 62 -9.195 -4.971 3.202 1.00 0.00 N ATOM 892 CA ASP A 62 -7.994 -5.732 3.526 1.00 0.00 C ATOM 893 C ASP A 62 -7.491 -6.499 2.307 1.00 0.00 C ATOM 894 O ASP A 62 -8.207 -7.306 1.713 1.00 0.00 O ATOM 895 CB ASP A 62 -8.274 -6.702 4.675 1.00 0.00 C ATOM 896 CG ASP A 62 -8.507 -5.988 5.992 1.00 0.00 C ATOM 897 OD1 ASP A 62 -9.483 -5.215 6.082 1.00 0.00 O ATOM 898 OD2 ASP A 62 -7.713 -6.201 6.932 1.00 0.00 O ATOM 0 H ASP A 62 -9.766 -5.380 2.462 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.220 -5.029 3.835 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.149 -7.305 4.432 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.433 -7.388 4.781 1.00 0.00 H new ATOM 903 N PRO A 63 -6.232 -6.243 1.924 1.00 0.00 N ATOM 904 CA PRO A 63 -5.606 -6.899 0.772 1.00 0.00 C ATOM 905 C PRO A 63 -5.332 -8.377 1.025 1.00 0.00 C ATOM 906 O PRO A 63 -4.543 -8.731 1.903 1.00 0.00 O ATOM 907 CB PRO A 63 -4.292 -6.133 0.599 1.00 0.00 C ATOM 908 CG PRO A 63 -3.990 -5.587 1.951 1.00 0.00 C ATOM 909 CD PRO A 63 -5.322 -5.293 2.585 1.00 0.00 C ATOM 0 HA PRO A 63 -6.248 -6.876 -0.109 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.495 -6.789 0.250 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.393 -5.335 -0.137 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.425 -6.305 2.545 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.383 -4.684 1.881 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.296 -5.446 3.664 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.628 -4.260 2.417 1.00 0.00 H new ATOM 917 N TYR A 64 -5.986 -9.236 0.252 1.00 0.00 N ATOM 918 CA TYR A 64 -5.813 -10.677 0.394 1.00 0.00 C ATOM 919 C TYR A 64 -5.385 -11.308 -0.928 1.00 0.00 C ATOM 920 O TYR A 64 -5.970 -11.036 -1.977 1.00 0.00 O ATOM 921 CB TYR A 64 -7.112 -11.321 0.883 1.00 0.00 C ATOM 922 CG TYR A 64 -7.347 -11.160 2.367 1.00 0.00 C ATOM 923 CD1 TYR A 64 -6.704 -11.980 3.286 1.00 0.00 C ATOM 924 CD2 TYR A 64 -8.211 -10.185 2.851 1.00 0.00 C ATOM 925 CE1 TYR A 64 -6.916 -11.836 4.644 1.00 0.00 C ATOM 926 CE2 TYR A 64 -8.429 -10.033 4.207 1.00 0.00 C ATOM 927 CZ TYR A 64 -7.779 -10.861 5.099 1.00 0.00 C ATOM 928 OH TYR A 64 -7.992 -10.713 6.451 1.00 0.00 O ATOM 0 H TYR A 64 -6.641 -8.960 -0.480 1.00 0.00 H new ATOM 0 HA TYR A 64 -5.028 -10.853 1.130 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.951 -10.883 0.341 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -7.095 -12.383 0.640 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.027 -12.743 2.933 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.721 -9.535 2.155 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.409 -12.483 5.345 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -9.104 -9.271 4.567 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.626 -9.981 6.604 1.00 0.00 H new ATOM 938 N CYS A 65 -4.362 -12.153 -0.868 1.00 0.00 N ATOM 939 CA CYS A 65 -3.853 -12.824 -2.059 1.00 0.00 C ATOM 940 C CYS A 65 -4.815 -13.915 -2.520 1.00 0.00 C ATOM 941 O CYS A 65 -5.596 -14.445 -1.729 1.00 0.00 O ATOM 942 CB CYS A 65 -2.475 -13.428 -1.780 1.00 0.00 C ATOM 943 SG CYS A 65 -2.523 -14.982 -0.832 1.00 0.00 S ATOM 0 H CYS A 65 -3.869 -12.390 -0.007 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.763 -12.083 -2.853 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -1.971 -13.609 -2.729 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.875 -12.700 -1.234 1.00 0.00 H new ATOM 0 HG CYS A 65 -1.655 -14.928 0.135 1.00 0.00 H new ATOM 948 N VAL A 66 -4.753 -14.246 -3.806 1.00 0.00 N ATOM 949 CA VAL A 66 -5.616 -15.275 -4.374 1.00 0.00 C ATOM 950 C VAL A 66 -5.560 -16.556 -3.549 1.00 0.00 C ATOM 951 O VAL A 66 -6.574 -17.225 -3.353 1.00 0.00 O ATOM 952 CB VAL A 66 -5.225 -15.596 -5.828 1.00 0.00 C ATOM 953 CG1 VAL A 66 -6.114 -16.695 -6.390 1.00 0.00 C ATOM 954 CG2 VAL A 66 -5.301 -14.345 -6.689 1.00 0.00 C ATOM 0 H VAL A 66 -4.114 -13.816 -4.474 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.632 -14.880 -4.358 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.195 -15.954 -5.838 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.823 -16.908 -7.418 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.003 -17.596 -5.787 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.154 -16.369 -6.368 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.021 -14.591 -7.713 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.319 -13.955 -6.674 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.618 -13.592 -6.297 1.00 0.00 H new ATOM 964 N ALA A 67 -4.368 -16.891 -3.067 1.00 0.00 N ATOM 965 CA ALA A 67 -4.180 -18.091 -2.261 1.00 0.00 C ATOM 966 C ALA A 67 -5.037 -18.045 -1.001 1.00 0.00 C ATOM 967 O ALA A 67 -5.551 -19.070 -0.550 1.00 0.00 O ATOM 968 CB ALA A 67 -2.712 -18.257 -1.897 1.00 0.00 C ATOM 0 H ALA A 67 -3.518 -16.348 -3.221 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.496 -18.950 -2.853 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.586 -19.157 -1.295 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.119 -18.343 -2.807 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.378 -17.390 -1.327 1.00 0.00 H new ATOM 974 N CYS A 68 -5.188 -16.852 -0.436 1.00 0.00 N ATOM 975 CA CYS A 68 -5.982 -16.673 0.773 1.00 0.00 C ATOM 976 C CYS A 68 -7.457 -16.483 0.432 1.00 0.00 C ATOM 977 O CYS A 68 -8.330 -17.116 1.026 1.00 0.00 O ATOM 978 CB CYS A 68 -5.472 -15.470 1.570 1.00 0.00 C ATOM 979 SG CYS A 68 -4.024 -15.830 2.614 1.00 0.00 S ATOM 0 H CYS A 68 -4.770 -15.994 -0.797 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.881 -17.572 1.381 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.216 -14.670 0.876 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.279 -15.098 2.202 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.313 -14.751 2.756 1.00 0.00 H new ATOM 984 N PHE A 69 -7.728 -15.606 -0.529 1.00 0.00 N ATOM 985 CA PHE A 69 -9.097 -15.331 -0.950 1.00 0.00 C ATOM 986 C PHE A 69 -9.854 -16.628 -1.217 1.00 0.00 C ATOM 987 O PHE A 69 -10.961 -16.828 -0.717 1.00 0.00 O ATOM 988 CB PHE A 69 -9.101 -14.456 -2.206 1.00 0.00 C ATOM 989 CG PHE A 69 -10.480 -14.109 -2.689 1.00 0.00 C ATOM 990 CD1 PHE A 69 -11.292 -13.260 -1.955 1.00 0.00 C ATOM 991 CD2 PHE A 69 -10.963 -14.631 -3.878 1.00 0.00 C ATOM 992 CE1 PHE A 69 -12.562 -12.938 -2.398 1.00 0.00 C ATOM 993 CE2 PHE A 69 -12.231 -14.312 -4.326 1.00 0.00 C ATOM 994 CZ PHE A 69 -13.032 -13.465 -3.584 1.00 0.00 C ATOM 0 H PHE A 69 -7.018 -15.073 -1.031 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.599 -14.798 -0.143 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.554 -13.536 -2.000 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.565 -14.974 -3.002 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -10.929 -12.845 -1.026 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.342 -15.295 -4.461 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.185 -12.275 -1.817 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.596 -14.724 -5.255 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.024 -13.216 -3.931 1.00 0.00 H new ATOM 1004 N GLY A 70 -9.250 -17.507 -2.011 1.00 0.00 N ATOM 1005 CA GLY A 70 -9.881 -18.774 -2.332 1.00 0.00 C ATOM 1006 C GLY A 70 -9.526 -19.866 -1.343 1.00 0.00 C ATOM 1007 O GLY A 70 -9.507 -21.045 -1.692 1.00 0.00 O ATOM 0 H GLY A 70 -8.335 -17.364 -2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -10.963 -18.643 -2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.580 -19.083 -3.333 1.00 0.00 H new ATOM 1011 N GLU A 71 -9.243 -19.472 -0.105 1.00 0.00 N ATOM 1012 CA GLU A 71 -8.884 -20.428 0.937 1.00 0.00 C ATOM 1013 C GLU A 71 -9.623 -20.119 2.236 1.00 0.00 C ATOM 1014 O GLU A 71 -10.026 -21.027 2.965 1.00 0.00 O ATOM 1015 CB GLU A 71 -7.373 -20.408 1.179 1.00 0.00 C ATOM 1016 CG GLU A 71 -6.935 -21.258 2.360 1.00 0.00 C ATOM 1017 CD GLU A 71 -6.779 -22.722 1.998 1.00 0.00 C ATOM 1018 OE1 GLU A 71 -6.490 -23.015 0.819 1.00 0.00 O ATOM 1019 OE2 GLU A 71 -6.944 -23.575 2.895 1.00 0.00 O ATOM 0 H GLU A 71 -9.255 -18.499 0.201 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.177 -21.422 0.600 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.865 -20.759 0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.053 -19.379 1.344 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.988 -20.879 2.744 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.666 -21.162 3.163 1.00 0.00 H new ATOM 1026 N LEU A 72 -9.797 -18.833 2.520 1.00 0.00 N ATOM 1027 CA LEU A 72 -10.487 -18.404 3.731 1.00 0.00 C ATOM 1028 C LEU A 72 -11.984 -18.256 3.482 1.00 0.00 C ATOM 1029 O LEU A 72 -12.795 -18.973 4.069 1.00 0.00 O ATOM 1030 CB LEU A 72 -9.908 -17.078 4.228 1.00 0.00 C ATOM 1031 CG LEU A 72 -8.545 -17.156 4.916 1.00 0.00 C ATOM 1032 CD1 LEU A 72 -7.473 -17.593 3.929 1.00 0.00 C ATOM 1033 CD2 LEU A 72 -8.184 -15.816 5.539 1.00 0.00 C ATOM 0 H LEU A 72 -9.470 -18.069 1.928 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.338 -19.168 4.494 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.825 -16.400 3.379 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.619 -16.632 4.924 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.603 -17.899 5.711 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.510 -17.643 4.437 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.724 -18.576 3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.416 -16.874 3.112 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.211 -15.891 6.024 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.145 -15.052 4.762 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.938 -15.543 6.278 1.00 0.00 H new ATOM 1045 N PHE A 73 -12.344 -17.324 2.606 1.00 0.00 N ATOM 1046 CA PHE A 73 -13.744 -17.084 2.277 1.00 0.00 C ATOM 1047 C PHE A 73 -14.309 -18.224 1.435 1.00 0.00 C ATOM 1048 O PHE A 73 -15.425 -18.687 1.666 1.00 0.00 O ATOM 1049 CB PHE A 73 -13.894 -15.758 1.528 1.00 0.00 C ATOM 1050 CG PHE A 73 -13.078 -14.642 2.115 1.00 0.00 C ATOM 1051 CD1 PHE A 73 -13.561 -13.900 3.181 1.00 0.00 C ATOM 1052 CD2 PHE A 73 -11.829 -14.335 1.602 1.00 0.00 C ATOM 1053 CE1 PHE A 73 -12.812 -12.872 3.723 1.00 0.00 C ATOM 1054 CE2 PHE A 73 -11.075 -13.309 2.139 1.00 0.00 C ATOM 1055 CZ PHE A 73 -11.568 -12.577 3.202 1.00 0.00 C ATOM 0 H PHE A 73 -11.685 -16.722 2.111 1.00 0.00 H new ATOM 0 HA PHE A 73 -14.306 -17.032 3.209 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.602 -15.903 0.488 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -14.945 -15.467 1.527 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -14.533 -14.127 3.593 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.439 -14.905 0.771 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -13.200 -12.300 4.553 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.103 -13.080 1.729 1.00 0.00 H new ATOM 0 HZ PHE A 73 -10.981 -11.775 3.625 1.00 0.00 H new