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 154:sc= 0.826 USER MOD Set 1.2: A 47 CYS SG : rot -45:sc= 0.509 USER MOD Set 1.3: A 65 CYS SG : rot -135:sc= -1.03! USER MOD Set 1.4: A 68 CYS SG : rot 159:sc= 0.743 USER MOD Set 2.1: A 18 CYS SG : rot 29:sc= -1.05 USER MOD Set 2.2: A 21 CYS SG : rot 180:sc= 0.0274 USER MOD Set 2.3: A 38 HIS : no HD1:sc= -3.49! C(o=-5.8!,f=-9.8!) USER MOD Set 2.4: A 41 CYS SG : rot -164:sc= -1.32 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 USER MOD Single : A 32 TYR OH : rot 180:sc=-0.00234 USER MOD Single : A 35 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.01) USER MOD Single : A 45 THR OG1 : rot 71:sc= 0.1 USER MOD Single : A 48 GLN : amide:sc= -0.0135 X(o=-0.013,f=-0.0054) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.971 USER MOD Single : A 54 GLN : amide:sc= -0.0459 X(o=-0.046,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.0651 X(o=-0.065,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.276 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 3.532 11.174 -2.750 1.00 0.00 N ATOM 194 CA PRO A 16 2.669 10.238 -2.024 1.00 0.00 C ATOM 195 C PRO A 16 3.359 9.644 -0.800 1.00 0.00 C ATOM 196 O PRO A 16 4.587 9.585 -0.736 1.00 0.00 O ATOM 197 CB PRO A 16 2.380 9.147 -3.057 1.00 0.00 C ATOM 198 CG PRO A 16 3.535 9.198 -3.996 1.00 0.00 C ATOM 199 CD PRO A 16 3.957 10.641 -4.055 1.00 0.00 C ATOM 0 HA PRO A 16 1.774 10.725 -1.637 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.296 8.168 -2.586 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.440 9.332 -3.576 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.351 8.567 -3.645 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.252 8.833 -4.983 1.00 0.00 H new ATOM 0 HD2 PRO A 16 5.033 10.739 -4.198 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.476 11.167 -4.880 1.00 0.00 H new ATOM 207 N ARG A 17 2.561 9.204 0.167 1.00 0.00 N ATOM 208 CA ARG A 17 3.096 8.614 1.389 1.00 0.00 C ATOM 209 C ARG A 17 2.353 7.329 1.743 1.00 0.00 C ATOM 210 O ARG A 17 1.129 7.255 1.629 1.00 0.00 O ATOM 211 CB ARG A 17 2.995 9.609 2.547 1.00 0.00 C ATOM 212 CG ARG A 17 3.648 10.950 2.255 1.00 0.00 C ATOM 213 CD ARG A 17 3.856 11.757 3.528 1.00 0.00 C ATOM 214 NE ARG A 17 4.222 13.142 3.244 1.00 0.00 N ATOM 215 CZ ARG A 17 4.937 13.897 4.071 1.00 0.00 C ATOM 216 NH1 ARG A 17 5.361 13.404 5.226 1.00 0.00 N ATOM 217 NH2 ARG A 17 5.230 15.149 3.742 1.00 0.00 N ATOM 0 H ARG A 17 1.543 9.245 0.129 1.00 0.00 H new ATOM 0 HA ARG A 17 4.145 8.371 1.217 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.944 9.770 2.786 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.459 9.173 3.431 1.00 0.00 H new ATOM 0 HG2 ARG A 17 4.608 10.789 1.764 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.026 11.516 1.562 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.943 11.738 4.123 1.00 0.00 H new ATOM 0 HD3 ARG A 17 4.637 11.291 4.129 1.00 0.00 H new ATOM 0 HE ARG A 17 3.912 13.552 2.363 1.00 0.00 H new ATOM 0 HH11 ARG A 17 5.139 12.442 5.482 1.00 0.00 H new ATOM 0 HH12 ARG A 17 5.910 13.986 5.858 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.906 15.532 2.854 1.00 0.00 H new ATOM 0 HH22 ARG A 17 5.779 15.728 4.377 1.00 0.00 H new ATOM 231 N CYS A 18 3.101 6.318 2.172 1.00 0.00 N ATOM 232 CA CYS A 18 2.516 5.036 2.542 1.00 0.00 C ATOM 233 C CYS A 18 1.260 5.234 3.386 1.00 0.00 C ATOM 234 O CYS A 18 1.286 5.931 4.400 1.00 0.00 O ATOM 235 CB CYS A 18 3.532 4.190 3.311 1.00 0.00 C ATOM 236 SG CYS A 18 2.947 2.514 3.720 1.00 0.00 S ATOM 0 H CYS A 18 4.115 6.363 2.272 1.00 0.00 H new ATOM 0 HA CYS A 18 2.239 4.514 1.626 1.00 0.00 H new ATOM 0 HB2 CYS A 18 4.444 4.111 2.720 1.00 0.00 H new ATOM 0 HB3 CYS A 18 3.795 4.707 4.234 1.00 0.00 H new ATOM 0 HG CYS A 18 2.092 2.122 2.823 1.00 0.00 H new ATOM 241 N ALA A 19 0.163 4.616 2.961 1.00 0.00 N ATOM 242 CA ALA A 19 -1.101 4.723 3.678 1.00 0.00 C ATOM 243 C ALA A 19 -0.996 4.106 5.069 1.00 0.00 C ATOM 244 O ALA A 19 -1.845 4.343 5.929 1.00 0.00 O ATOM 245 CB ALA A 19 -2.215 4.056 2.885 1.00 0.00 C ATOM 0 H ALA A 19 0.125 4.036 2.123 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.337 5.781 3.795 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.154 4.143 3.432 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.314 4.544 1.915 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.977 3.002 2.739 1.00 0.00 H new ATOM 251 N ARG A 20 0.049 3.313 5.283 1.00 0.00 N ATOM 252 CA ARG A 20 0.263 2.661 6.569 1.00 0.00 C ATOM 253 C ARG A 20 1.139 3.520 7.475 1.00 0.00 C ATOM 254 O ARG A 20 0.742 3.876 8.585 1.00 0.00 O ATOM 255 CB ARG A 20 0.909 1.289 6.367 1.00 0.00 C ATOM 256 CG ARG A 20 1.379 0.642 7.660 1.00 0.00 C ATOM 257 CD ARG A 20 0.221 0.396 8.614 1.00 0.00 C ATOM 258 NE ARG A 20 0.680 0.007 9.944 1.00 0.00 N ATOM 259 CZ ARG A 20 0.001 0.257 11.058 1.00 0.00 C ATOM 260 NH1 ARG A 20 -1.161 0.892 11.002 1.00 0.00 N ATOM 261 NH2 ARG A 20 0.485 -0.128 12.232 1.00 0.00 N ATOM 0 H ARG A 20 0.761 3.107 4.582 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.707 2.531 7.049 1.00 0.00 H new ATOM 0 HB2 ARG A 20 0.193 0.628 5.879 1.00 0.00 H new ATOM 0 HB3 ARG A 20 1.759 1.392 5.692 1.00 0.00 H new ATOM 0 HG2 ARG A 20 1.874 -0.303 7.436 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.118 1.283 8.141 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.384 1.299 8.689 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.422 -0.386 8.210 1.00 0.00 H new ATOM 0 HE ARG A 20 1.571 -0.484 10.022 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.536 1.190 10.102 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.680 1.082 11.859 1.00 0.00 H new ATOM 0 HH21 ARG A 20 1.379 -0.616 12.280 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -0.037 0.064 13.087 1.00 0.00 H new ATOM 275 N CYS A 21 2.333 3.850 6.995 1.00 0.00 N ATOM 276 CA CYS A 21 3.267 4.666 7.761 1.00 0.00 C ATOM 277 C CYS A 21 3.094 6.146 7.432 1.00 0.00 C ATOM 278 O CYS A 21 3.140 6.999 8.317 1.00 0.00 O ATOM 279 CB CYS A 21 4.707 4.234 7.476 1.00 0.00 C ATOM 280 SG CYS A 21 4.908 2.443 7.214 1.00 0.00 S ATOM 0 H CYS A 21 2.677 3.564 6.078 1.00 0.00 H new ATOM 0 HA CYS A 21 3.054 4.520 8.820 1.00 0.00 H new ATOM 0 HB2 CYS A 21 5.065 4.762 6.592 1.00 0.00 H new ATOM 0 HB3 CYS A 21 5.339 4.542 8.309 1.00 0.00 H new ATOM 0 HG CYS A 21 6.158 2.177 6.978 1.00 0.00 H new ATOM 285 N SER A 22 2.893 6.441 6.151 1.00 0.00 N ATOM 286 CA SER A 22 2.716 7.818 5.703 1.00 0.00 C ATOM 287 C SER A 22 4.014 8.607 5.846 1.00 0.00 C ATOM 288 O SER A 22 4.028 9.707 6.399 1.00 0.00 O ATOM 289 CB SER A 22 1.602 8.497 6.502 1.00 0.00 C ATOM 290 OG SER A 22 1.016 9.554 5.763 1.00 0.00 O ATOM 0 H SER A 22 2.849 5.746 5.406 1.00 0.00 H new ATOM 0 HA SER A 22 2.438 7.799 4.649 1.00 0.00 H new ATOM 0 HB2 SER A 22 0.838 7.764 6.762 1.00 0.00 H new ATOM 0 HB3 SER A 22 2.005 8.883 7.438 1.00 0.00 H new ATOM 0 HG SER A 22 0.306 9.971 6.295 1.00 0.00 H new ATOM 296 N LYS A 23 5.104 8.037 5.343 1.00 0.00 N ATOM 297 CA LYS A 23 6.408 8.685 5.412 1.00 0.00 C ATOM 298 C LYS A 23 6.754 9.354 4.086 1.00 0.00 C ATOM 299 O LYS A 23 6.709 10.579 3.965 1.00 0.00 O ATOM 300 CB LYS A 23 7.489 7.665 5.778 1.00 0.00 C ATOM 301 CG LYS A 23 7.419 7.197 7.222 1.00 0.00 C ATOM 302 CD LYS A 23 8.764 6.683 7.707 1.00 0.00 C ATOM 303 CE LYS A 23 8.599 5.599 8.761 1.00 0.00 C ATOM 304 NZ LYS A 23 8.446 6.172 10.127 1.00 0.00 N ATOM 0 H LYS A 23 5.110 7.127 4.883 1.00 0.00 H new ATOM 0 HA LYS A 23 6.364 9.452 6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 23 7.399 6.801 5.120 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.469 8.105 5.594 1.00 0.00 H new ATOM 0 HG2 LYS A 23 7.093 8.021 7.857 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.672 6.408 7.314 1.00 0.00 H new ATOM 0 HD2 LYS A 23 9.330 6.288 6.863 1.00 0.00 H new ATOM 0 HD3 LYS A 23 9.343 7.509 8.120 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.727 4.991 8.523 1.00 0.00 H new ATOM 0 HE3 LYS A 23 9.465 4.937 8.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 8.336 5.401 10.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 9.289 6.732 10.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.605 6.784 10.155 1.00 0.00 H new ATOM 318 N THR A 24 7.098 8.542 3.091 1.00 0.00 N ATOM 319 CA THR A 24 7.451 9.055 1.773 1.00 0.00 C ATOM 320 C THR A 24 7.564 7.925 0.755 1.00 0.00 C ATOM 321 O THR A 24 7.914 6.796 1.102 1.00 0.00 O ATOM 322 CB THR A 24 8.781 9.832 1.810 1.00 0.00 C ATOM 323 OG1 THR A 24 9.673 9.231 2.755 1.00 0.00 O ATOM 324 CG2 THR A 24 8.546 11.288 2.182 1.00 0.00 C ATOM 0 H THR A 24 7.140 7.526 3.173 1.00 0.00 H new ATOM 0 HA THR A 24 6.651 9.732 1.473 1.00 0.00 H new ATOM 0 HB THR A 24 9.227 9.795 0.816 1.00 0.00 H new ATOM 0 HG1 THR A 24 10.517 9.730 2.771 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.499 11.817 2.202 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.890 11.751 1.445 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.081 11.342 3.166 1.00 0.00 H new ATOM 332 N LEU A 25 7.267 8.236 -0.502 1.00 0.00 N ATOM 333 CA LEU A 25 7.336 7.246 -1.571 1.00 0.00 C ATOM 334 C LEU A 25 8.035 7.820 -2.800 1.00 0.00 C ATOM 335 O LEU A 25 7.583 7.631 -3.930 1.00 0.00 O ATOM 336 CB LEU A 25 5.931 6.771 -1.945 1.00 0.00 C ATOM 337 CG LEU A 25 5.230 5.877 -0.921 1.00 0.00 C ATOM 338 CD1 LEU A 25 3.732 6.140 -0.919 1.00 0.00 C ATOM 339 CD2 LEU A 25 5.516 4.411 -1.209 1.00 0.00 C ATOM 0 H LEU A 25 6.976 9.165 -0.806 1.00 0.00 H new ATOM 0 HA LEU A 25 7.915 6.397 -1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.307 7.648 -2.120 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.991 6.230 -2.889 1.00 0.00 H new ATOM 0 HG LEU A 25 5.621 6.115 0.068 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.250 5.495 -0.184 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.546 7.183 -0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.325 5.931 -1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 25 5.009 3.790 -0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.154 4.159 -2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.590 4.233 -1.157 1.00 0.00 H new ATOM 396 N VAL A 30 3.998 1.650 -4.903 1.00 0.00 N ATOM 397 CA VAL A 30 2.781 1.046 -5.432 1.00 0.00 C ATOM 398 C VAL A 30 1.540 1.750 -4.896 1.00 0.00 C ATOM 399 O VAL A 30 1.619 2.546 -3.960 1.00 0.00 O ATOM 400 CB VAL A 30 2.700 -0.452 -5.082 1.00 0.00 C ATOM 401 CG1 VAL A 30 3.729 -1.242 -5.876 1.00 0.00 C ATOM 402 CG2 VAL A 30 2.893 -0.660 -3.588 1.00 0.00 C ATOM 0 HA VAL A 30 2.818 1.157 -6.516 1.00 0.00 H new ATOM 0 HB VAL A 30 1.709 -0.818 -5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.657 -2.298 -5.616 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.540 -1.117 -6.942 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.729 -0.877 -5.640 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.833 -1.724 -3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.870 -0.279 -3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.115 -0.126 -3.043 1.00 0.00 H new ATOM 412 N THR A 31 0.391 1.451 -5.496 1.00 0.00 N ATOM 413 CA THR A 31 -0.868 2.056 -5.079 1.00 0.00 C ATOM 414 C THR A 31 -1.969 1.008 -4.962 1.00 0.00 C ATOM 415 O THR A 31 -2.390 0.422 -5.960 1.00 0.00 O ATOM 416 CB THR A 31 -1.319 3.149 -6.066 1.00 0.00 C ATOM 417 OG1 THR A 31 -2.308 3.984 -5.453 1.00 0.00 O ATOM 418 CG2 THR A 31 -1.886 2.533 -7.336 1.00 0.00 C ATOM 0 H THR A 31 0.307 0.794 -6.272 1.00 0.00 H new ATOM 0 HA THR A 31 -0.694 2.507 -4.102 1.00 0.00 H new ATOM 0 HB THR A 31 -0.449 3.750 -6.330 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.589 4.677 -6.086 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.197 3.325 -8.017 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.122 1.921 -7.816 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.745 1.911 -7.086 1.00 0.00 H new ATOM 426 N TYR A 32 -2.431 0.776 -3.738 1.00 0.00 N ATOM 427 CA TYR A 32 -3.482 -0.203 -3.491 1.00 0.00 C ATOM 428 C TYR A 32 -4.799 0.486 -3.147 1.00 0.00 C ATOM 429 O TYR A 32 -4.819 1.490 -2.435 1.00 0.00 O ATOM 430 CB TYR A 32 -3.074 -1.144 -2.356 1.00 0.00 C ATOM 431 CG TYR A 32 -4.246 -1.812 -1.673 1.00 0.00 C ATOM 432 CD1 TYR A 32 -4.982 -2.799 -2.318 1.00 0.00 C ATOM 433 CD2 TYR A 32 -4.619 -1.456 -0.382 1.00 0.00 C ATOM 434 CE1 TYR A 32 -6.054 -3.411 -1.698 1.00 0.00 C ATOM 435 CE2 TYR A 32 -5.689 -2.064 0.246 1.00 0.00 C ATOM 436 CZ TYR A 32 -6.403 -3.041 -0.416 1.00 0.00 C ATOM 437 OH TYR A 32 -7.470 -3.648 0.206 1.00 0.00 O ATOM 0 H TYR A 32 -2.094 1.253 -2.902 1.00 0.00 H new ATOM 0 HA TYR A 32 -3.624 -0.784 -4.402 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.410 -1.912 -2.753 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -2.505 -0.582 -1.616 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.711 -3.093 -3.321 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -4.063 -0.691 0.139 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -6.616 -4.175 -2.214 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -5.965 -1.776 1.250 1.00 0.00 H new ATOM 0 HH TYR A 32 -7.581 -3.273 1.105 1.00 0.00 H new ATOM 447 N ARG A 33 -5.897 -0.061 -3.659 1.00 0.00 N ATOM 448 CA ARG A 33 -7.218 0.500 -3.407 1.00 0.00 C ATOM 449 C ARG A 33 -7.221 2.009 -3.634 1.00 0.00 C ATOM 450 O ARG A 33 -7.866 2.757 -2.900 1.00 0.00 O ATOM 451 CB ARG A 33 -7.665 0.189 -1.978 1.00 0.00 C ATOM 452 CG ARG A 33 -6.863 0.923 -0.915 1.00 0.00 C ATOM 453 CD ARG A 33 -7.558 0.879 0.437 1.00 0.00 C ATOM 454 NE ARG A 33 -6.616 1.038 1.541 1.00 0.00 N ATOM 455 CZ ARG A 33 -6.960 1.494 2.741 1.00 0.00 C ATOM 456 NH1 ARG A 33 -8.217 1.834 2.989 1.00 0.00 N ATOM 457 NH2 ARG A 33 -6.045 1.610 3.695 1.00 0.00 N ATOM 0 H ARG A 33 -5.897 -0.892 -4.251 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.917 0.043 -4.107 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.718 0.450 -1.871 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.583 -0.884 -1.806 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.873 0.475 -0.831 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.719 1.960 -1.218 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.309 1.668 0.485 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.085 -0.069 0.543 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.641 0.785 1.383 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.923 1.746 2.258 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -8.478 2.184 3.911 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.077 1.349 3.508 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -6.310 1.960 4.616 1.00 0.00 H new ATOM 471 N ASP A 34 -6.494 2.449 -4.656 1.00 0.00 N ATOM 472 CA ASP A 34 -6.412 3.869 -4.980 1.00 0.00 C ATOM 473 C ASP A 34 -5.660 4.632 -3.895 1.00 0.00 C ATOM 474 O ASP A 34 -5.895 5.821 -3.684 1.00 0.00 O ATOM 475 CB ASP A 34 -7.814 4.455 -5.156 1.00 0.00 C ATOM 476 CG ASP A 34 -8.646 3.677 -6.156 1.00 0.00 C ATOM 477 OD1 ASP A 34 -8.430 2.453 -6.282 1.00 0.00 O ATOM 478 OD2 ASP A 34 -9.512 4.291 -6.814 1.00 0.00 O ATOM 0 H ASP A 34 -5.954 1.843 -5.274 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.864 3.972 -5.916 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -8.324 4.464 -4.193 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.733 5.491 -5.484 1.00 0.00 H new ATOM 483 N GLN A 35 -4.757 3.939 -3.209 1.00 0.00 N ATOM 484 CA GLN A 35 -3.972 4.552 -2.144 1.00 0.00 C ATOM 485 C GLN A 35 -2.515 4.108 -2.216 1.00 0.00 C ATOM 486 O GLN A 35 -2.204 2.973 -2.580 1.00 0.00 O ATOM 487 CB GLN A 35 -4.560 4.194 -0.778 1.00 0.00 C ATOM 488 CG GLN A 35 -5.781 5.019 -0.406 1.00 0.00 C ATOM 489 CD GLN A 35 -6.056 5.015 1.085 1.00 0.00 C ATOM 490 OE1 GLN A 35 -7.150 4.662 1.525 1.00 0.00 O ATOM 491 NE2 GLN A 35 -5.061 5.409 1.872 1.00 0.00 N ATOM 0 H GLN A 35 -4.551 2.953 -3.371 1.00 0.00 H new ATOM 0 HA GLN A 35 -4.009 5.633 -2.276 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -4.830 3.138 -0.774 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -3.794 4.330 -0.015 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.637 6.046 -0.742 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -6.652 4.630 -0.933 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -4.170 5.693 1.464 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -5.188 5.427 2.884 1.00 0.00 H new ATOM 500 N PRO A 36 -1.599 5.021 -1.863 1.00 0.00 N ATOM 501 CA PRO A 36 -0.159 4.746 -1.879 1.00 0.00 C ATOM 502 C PRO A 36 0.256 3.764 -0.788 1.00 0.00 C ATOM 503 O PRO A 36 -0.053 3.960 0.387 1.00 0.00 O ATOM 504 CB PRO A 36 0.468 6.120 -1.628 1.00 0.00 C ATOM 505 CG PRO A 36 -0.577 6.884 -0.892 1.00 0.00 C ATOM 506 CD PRO A 36 -1.898 6.393 -1.419 1.00 0.00 C ATOM 0 HA PRO A 36 0.157 4.283 -2.814 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.384 6.036 -1.042 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.732 6.612 -2.564 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -0.499 6.716 0.182 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.465 7.956 -1.056 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.669 6.407 -0.648 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -2.258 7.012 -2.241 1.00 0.00 H new ATOM 514 N TRP A 37 0.958 2.708 -1.185 1.00 0.00 N ATOM 515 CA TRP A 37 1.415 1.696 -0.240 1.00 0.00 C ATOM 516 C TRP A 37 2.890 1.377 -0.456 1.00 0.00 C ATOM 517 O TRP A 37 3.386 1.417 -1.583 1.00 0.00 O ATOM 518 CB TRP A 37 0.580 0.423 -0.381 1.00 0.00 C ATOM 519 CG TRP A 37 -0.702 0.465 0.394 1.00 0.00 C ATOM 520 CD1 TRP A 37 -1.835 1.155 0.068 1.00 0.00 C ATOM 521 CD2 TRP A 37 -0.982 -0.210 1.625 1.00 0.00 C ATOM 522 NE1 TRP A 37 -2.802 0.950 1.023 1.00 0.00 N ATOM 523 CE2 TRP A 37 -2.304 0.115 1.988 1.00 0.00 C ATOM 524 CE3 TRP A 37 -0.246 -1.060 2.455 1.00 0.00 C ATOM 525 CZ2 TRP A 37 -2.901 -0.378 3.145 1.00 0.00 C ATOM 526 CZ3 TRP A 37 -0.840 -1.549 3.603 1.00 0.00 C ATOM 527 CH2 TRP A 37 -2.156 -1.208 3.939 1.00 0.00 C ATOM 0 H TRP A 37 1.223 2.531 -2.154 1.00 0.00 H new ATOM 0 HA TRP A 37 1.292 2.093 0.767 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.354 0.260 -1.435 1.00 0.00 H new ATOM 0 HB3 TRP A 37 1.171 -0.430 -0.046 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.954 1.771 -0.811 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -3.739 1.354 1.015 1.00 0.00 H new ATOM 0 HE3 TRP A 37 0.769 -1.330 2.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.915 -0.115 3.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.280 -2.205 4.252 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -2.592 -1.608 4.843 1.00 0.00 H new ATOM 538 N HIS A 38 3.588 1.061 0.630 1.00 0.00 N ATOM 539 CA HIS A 38 5.008 0.734 0.559 1.00 0.00 C ATOM 540 C HIS A 38 5.215 -0.670 -0.001 1.00 0.00 C ATOM 541 O HIS A 38 4.783 -1.656 0.596 1.00 0.00 O ATOM 542 CB HIS A 38 5.649 0.844 1.943 1.00 0.00 C ATOM 543 CG HIS A 38 6.230 2.194 2.228 1.00 0.00 C ATOM 544 ND1 HIS A 38 6.155 2.799 3.465 1.00 0.00 N ATOM 545 CD2 HIS A 38 6.900 3.057 1.429 1.00 0.00 C ATOM 546 CE1 HIS A 38 6.753 3.977 3.414 1.00 0.00 C ATOM 547 NE2 HIS A 38 7.213 4.157 2.189 1.00 0.00 N ATOM 0 H HIS A 38 3.194 1.024 1.570 1.00 0.00 H new ATOM 0 HA HIS A 38 5.486 1.448 -0.112 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.900 0.612 2.701 1.00 0.00 H new ATOM 0 HB3 HIS A 38 6.434 0.093 2.031 1.00 0.00 H new ATOM 0 HD2 HIS A 38 7.143 2.908 0.387 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.849 4.673 4.234 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.719 4.980 1.861 1.00 0.00 H new ATOM 555 N ARG A 39 5.876 -0.752 -1.151 1.00 0.00 N ATOM 556 CA ARG A 39 6.138 -2.035 -1.792 1.00 0.00 C ATOM 557 C ARG A 39 6.346 -3.131 -0.750 1.00 0.00 C ATOM 558 O ARG A 39 5.838 -4.242 -0.895 1.00 0.00 O ATOM 559 CB ARG A 39 7.368 -1.936 -2.696 1.00 0.00 C ATOM 560 CG ARG A 39 7.172 -1.020 -3.893 1.00 0.00 C ATOM 561 CD ARG A 39 8.013 -1.466 -5.079 1.00 0.00 C ATOM 562 NE ARG A 39 9.413 -1.076 -4.935 1.00 0.00 N ATOM 563 CZ ARG A 39 10.432 -1.862 -5.262 1.00 0.00 C ATOM 564 NH1 ARG A 39 10.209 -3.075 -5.748 1.00 0.00 N ATOM 565 NH2 ARG A 39 11.678 -1.436 -5.102 1.00 0.00 N ATOM 0 H ARG A 39 6.240 0.055 -1.658 1.00 0.00 H new ATOM 0 HA ARG A 39 5.270 -2.294 -2.398 1.00 0.00 H new ATOM 0 HB2 ARG A 39 8.212 -1.576 -2.108 1.00 0.00 H new ATOM 0 HB3 ARG A 39 7.629 -2.933 -3.051 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.119 -1.009 -4.176 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.439 0.001 -3.619 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.947 -2.549 -5.183 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.608 -1.033 -5.994 1.00 0.00 H new ATOM 0 HE ARG A 39 9.619 -0.149 -4.563 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.252 -3.407 -5.872 1.00 0.00 H new ATOM 0 HH12 ARG A 39 10.994 -3.676 -5.998 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.854 -0.504 -4.727 1.00 0.00 H new ATOM 0 HH22 ARG A 39 12.460 -2.041 -5.354 1.00 0.00 H new ATOM 579 N GLU A 40 7.097 -2.808 0.299 1.00 0.00 N ATOM 580 CA GLU A 40 7.372 -3.766 1.363 1.00 0.00 C ATOM 581 C GLU A 40 6.142 -3.971 2.243 1.00 0.00 C ATOM 582 O GLU A 40 5.749 -5.103 2.527 1.00 0.00 O ATOM 583 CB GLU A 40 8.549 -3.289 2.217 1.00 0.00 C ATOM 584 CG GLU A 40 8.333 -1.921 2.842 1.00 0.00 C ATOM 585 CD GLU A 40 9.517 -1.465 3.672 1.00 0.00 C ATOM 586 OE1 GLU A 40 10.061 -2.293 4.433 1.00 0.00 O ATOM 587 OE2 GLU A 40 9.899 -0.281 3.562 1.00 0.00 O ATOM 0 H GLU A 40 7.525 -1.892 0.434 1.00 0.00 H new ATOM 0 HA GLU A 40 7.629 -4.719 0.901 1.00 0.00 H new ATOM 0 HB2 GLU A 40 8.731 -4.016 3.008 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.447 -3.259 1.599 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.144 -1.192 2.054 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.443 -1.949 3.471 1.00 0.00 H new ATOM 594 N CYS A 41 5.539 -2.867 2.672 1.00 0.00 N ATOM 595 CA CYS A 41 4.354 -2.924 3.520 1.00 0.00 C ATOM 596 C CYS A 41 3.233 -3.700 2.837 1.00 0.00 C ATOM 597 O CYS A 41 2.691 -4.654 3.398 1.00 0.00 O ATOM 598 CB CYS A 41 3.878 -1.510 3.860 1.00 0.00 C ATOM 599 SG CYS A 41 4.993 -0.597 4.974 1.00 0.00 S ATOM 0 H CYS A 41 5.851 -1.923 2.446 1.00 0.00 H new ATOM 0 HA CYS A 41 4.621 -3.442 4.441 1.00 0.00 H new ATOM 0 HB2 CYS A 41 3.763 -0.945 2.935 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.892 -1.571 4.321 1.00 0.00 H new ATOM 0 HG CYS A 41 4.367 0.429 5.469 1.00 0.00 H new ATOM 604 N LEU A 42 2.889 -3.286 1.623 1.00 0.00 N ATOM 605 CA LEU A 42 1.831 -3.942 0.861 1.00 0.00 C ATOM 606 C LEU A 42 1.998 -5.458 0.894 1.00 0.00 C ATOM 607 O LEU A 42 2.796 -6.022 0.146 1.00 0.00 O ATOM 608 CB LEU A 42 1.837 -3.449 -0.587 1.00 0.00 C ATOM 609 CG LEU A 42 0.706 -3.966 -1.476 1.00 0.00 C ATOM 610 CD1 LEU A 42 -0.646 -3.565 -0.908 1.00 0.00 C ATOM 611 CD2 LEU A 42 0.865 -3.446 -2.898 1.00 0.00 C ATOM 0 H LEU A 42 3.327 -2.499 1.144 1.00 0.00 H new ATOM 0 HA LEU A 42 0.875 -3.689 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.797 -2.360 -0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.787 -3.730 -1.042 1.00 0.00 H new ATOM 0 HG LEU A 42 0.758 -5.054 -1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.439 -3.942 -1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.761 -3.987 0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.709 -2.478 -0.852 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.051 -3.824 -3.517 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.840 -2.356 -2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.818 -3.785 -3.305 1.00 0.00 H new ATOM 623 N VAL A 43 1.236 -6.113 1.765 1.00 0.00 N ATOM 624 CA VAL A 43 1.296 -7.564 1.893 1.00 0.00 C ATOM 625 C VAL A 43 -0.055 -8.136 2.308 1.00 0.00 C ATOM 626 O VAL A 43 -0.844 -7.468 2.978 1.00 0.00 O ATOM 627 CB VAL A 43 2.360 -7.993 2.920 1.00 0.00 C ATOM 628 CG1 VAL A 43 3.732 -7.472 2.518 1.00 0.00 C ATOM 629 CG2 VAL A 43 1.983 -7.508 4.312 1.00 0.00 C ATOM 0 H VAL A 43 0.570 -5.661 2.392 1.00 0.00 H new ATOM 0 HA VAL A 43 1.568 -7.957 0.913 1.00 0.00 H new ATOM 0 HB VAL A 43 2.403 -9.082 2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.471 -7.785 3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.002 -7.874 1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.708 -6.383 2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.746 -7.820 5.025 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.910 -6.420 4.311 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.022 -7.936 4.598 1.00 0.00 H new ATOM 639 N CYS A 44 -0.316 -9.375 1.907 1.00 0.00 N ATOM 640 CA CYS A 44 -1.571 -10.039 2.237 1.00 0.00 C ATOM 641 C CYS A 44 -1.866 -9.933 3.731 1.00 0.00 C ATOM 642 O CYS A 44 -0.954 -9.801 4.548 1.00 0.00 O ATOM 643 CB CYS A 44 -1.521 -11.509 1.819 1.00 0.00 C ATOM 644 SG CYS A 44 -3.017 -12.456 2.247 1.00 0.00 S ATOM 0 H CYS A 44 0.326 -9.941 1.352 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.371 -9.540 1.690 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -1.365 -11.564 0.742 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -0.659 -11.980 2.290 1.00 0.00 H new ATOM 0 HG CYS A 44 -3.146 -13.457 1.427 1.00 0.00 H new ATOM 649 N THR A 45 -3.147 -9.992 4.081 1.00 0.00 N ATOM 650 CA THR A 45 -3.563 -9.902 5.475 1.00 0.00 C ATOM 651 C THR A 45 -3.760 -11.287 6.081 1.00 0.00 C ATOM 652 O THR A 45 -4.450 -11.443 7.087 1.00 0.00 O ATOM 653 CB THR A 45 -4.871 -9.101 5.620 1.00 0.00 C ATOM 654 OG1 THR A 45 -4.806 -7.910 4.828 1.00 0.00 O ATOM 655 CG2 THR A 45 -5.123 -8.735 7.075 1.00 0.00 C ATOM 0 H THR A 45 -3.914 -10.102 3.418 1.00 0.00 H new ATOM 0 HA THR A 45 -2.766 -9.384 6.009 1.00 0.00 H new ATOM 0 HB THR A 45 -5.694 -9.725 5.271 1.00 0.00 H new ATOM 0 HG1 THR A 45 -4.851 -8.146 3.878 1.00 0.00 H new ATOM 0 HG21 THR A 45 -6.052 -8.170 7.152 1.00 0.00 H new ATOM 0 HG22 THR A 45 -5.201 -9.644 7.671 1.00 0.00 H new ATOM 0 HG23 THR A 45 -4.297 -8.128 7.446 1.00 0.00 H new ATOM 663 N GLY A 46 -3.147 -12.292 5.461 1.00 0.00 N ATOM 664 CA GLY A 46 -3.267 -13.651 5.954 1.00 0.00 C ATOM 665 C GLY A 46 -1.929 -14.360 6.031 1.00 0.00 C ATOM 666 O GLY A 46 -1.526 -14.829 7.096 1.00 0.00 O ATOM 0 H GLY A 46 -2.570 -12.188 4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.724 -13.636 6.943 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.936 -14.213 5.302 1.00 0.00 H new ATOM 670 N CYS A 47 -1.238 -14.440 4.898 1.00 0.00 N ATOM 671 CA CYS A 47 0.061 -15.099 4.840 1.00 0.00 C ATOM 672 C CYS A 47 1.192 -14.074 4.857 1.00 0.00 C ATOM 673 O CYS A 47 2.362 -14.429 4.995 1.00 0.00 O ATOM 674 CB CYS A 47 0.162 -15.964 3.582 1.00 0.00 C ATOM 675 SG CYS A 47 -0.144 -15.060 2.031 1.00 0.00 S ATOM 0 H CYS A 47 -1.556 -14.057 4.008 1.00 0.00 H new ATOM 0 HA CYS A 47 0.157 -15.736 5.720 1.00 0.00 H new ATOM 0 HB2 CYS A 47 1.156 -16.410 3.540 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.553 -16.784 3.659 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.186 -14.296 2.173 1.00 0.00 H new ATOM 680 N GLN A 48 0.832 -12.802 4.717 1.00 0.00 N ATOM 681 CA GLN A 48 1.816 -11.726 4.716 1.00 0.00 C ATOM 682 C GLN A 48 2.759 -11.851 3.523 1.00 0.00 C ATOM 683 O GLN A 48 3.979 -11.890 3.684 1.00 0.00 O ATOM 684 CB GLN A 48 2.619 -11.739 6.019 1.00 0.00 C ATOM 685 CG GLN A 48 1.784 -11.429 7.250 1.00 0.00 C ATOM 686 CD GLN A 48 1.424 -9.960 7.356 1.00 0.00 C ATOM 687 OE1 GLN A 48 2.294 -9.106 7.529 1.00 0.00 O ATOM 688 NE2 GLN A 48 0.135 -9.657 7.254 1.00 0.00 N ATOM 0 H GLN A 48 -0.133 -12.492 4.603 1.00 0.00 H new ATOM 0 HA GLN A 48 1.281 -10.779 4.636 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.082 -12.718 6.141 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.427 -11.011 5.945 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.870 -12.022 7.223 1.00 0.00 H new ATOM 0 HG3 GLN A 48 2.333 -11.730 8.142 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -0.553 -10.396 7.111 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -0.167 -8.685 7.319 1.00 0.00 H new ATOM 697 N THR A 49 2.185 -11.914 2.326 1.00 0.00 N ATOM 698 CA THR A 49 2.973 -12.037 1.106 1.00 0.00 C ATOM 699 C THR A 49 2.934 -10.747 0.295 1.00 0.00 C ATOM 700 O THR A 49 1.903 -10.083 0.188 1.00 0.00 O ATOM 701 CB THR A 49 2.471 -13.198 0.227 1.00 0.00 C ATOM 702 OG1 THR A 49 3.459 -13.532 -0.754 1.00 0.00 O ATOM 703 CG2 THR A 49 1.167 -12.830 -0.464 1.00 0.00 C ATOM 0 H THR A 49 1.177 -11.882 2.175 1.00 0.00 H new ATOM 0 HA THR A 49 3.999 -12.241 1.412 1.00 0.00 H new ATOM 0 HB THR A 49 2.292 -14.060 0.870 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.133 -14.272 -1.308 1.00 0.00 H new ATOM 0 HG21 THR A 49 0.833 -13.666 -1.079 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.409 -12.605 0.286 1.00 0.00 H new ATOM 0 HG23 THR A 49 1.324 -11.955 -1.095 1.00 0.00 H new ATOM 711 N PRO A 50 4.083 -10.381 -0.293 1.00 0.00 N ATOM 712 CA PRO A 50 4.206 -9.168 -1.106 1.00 0.00 C ATOM 713 C PRO A 50 3.452 -9.278 -2.427 1.00 0.00 C ATOM 714 O PRO A 50 3.895 -9.959 -3.353 1.00 0.00 O ATOM 715 CB PRO A 50 5.712 -9.060 -1.358 1.00 0.00 C ATOM 716 CG PRO A 50 6.216 -10.457 -1.241 1.00 0.00 C ATOM 717 CD PRO A 50 5.352 -11.125 -0.208 1.00 0.00 C ATOM 0 HA PRO A 50 3.780 -8.298 -0.606 1.00 0.00 H new ATOM 0 HB2 PRO A 50 5.920 -8.645 -2.344 1.00 0.00 H new ATOM 0 HB3 PRO A 50 6.189 -8.404 -0.630 1.00 0.00 H new ATOM 0 HG2 PRO A 50 6.152 -10.976 -2.197 1.00 0.00 H new ATOM 0 HG3 PRO A 50 7.264 -10.470 -0.941 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.212 -12.184 -0.425 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.791 -11.058 0.787 1.00 0.00 H new ATOM 725 N LEU A 51 2.310 -8.603 -2.509 1.00 0.00 N ATOM 726 CA LEU A 51 1.494 -8.624 -3.718 1.00 0.00 C ATOM 727 C LEU A 51 1.996 -7.601 -4.732 1.00 0.00 C ATOM 728 O LEU A 51 1.304 -7.277 -5.696 1.00 0.00 O ATOM 729 CB LEU A 51 0.030 -8.342 -3.374 1.00 0.00 C ATOM 730 CG LEU A 51 -0.527 -9.078 -2.155 1.00 0.00 C ATOM 731 CD1 LEU A 51 -1.613 -8.253 -1.483 1.00 0.00 C ATOM 732 CD2 LEU A 51 -1.064 -10.444 -2.556 1.00 0.00 C ATOM 0 H LEU A 51 1.929 -8.035 -1.753 1.00 0.00 H new ATOM 0 HA LEU A 51 1.572 -9.616 -4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.084 -7.270 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.582 -8.599 -4.239 1.00 0.00 H new ATOM 0 HG LEU A 51 0.284 -9.224 -1.441 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.997 -8.793 -0.618 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.197 -7.299 -1.160 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.424 -8.075 -2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.456 -10.953 -1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.861 -10.321 -3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.260 -11.038 -2.991 1.00 0.00 H new ATOM 744 N ALA A 52 3.205 -7.098 -4.507 1.00 0.00 N ATOM 745 CA ALA A 52 3.802 -6.115 -5.403 1.00 0.00 C ATOM 746 C ALA A 52 3.690 -6.559 -6.858 1.00 0.00 C ATOM 747 O ALA A 52 4.490 -7.363 -7.335 1.00 0.00 O ATOM 748 CB ALA A 52 5.258 -5.878 -5.032 1.00 0.00 C ATOM 0 H ALA A 52 3.790 -7.355 -3.712 1.00 0.00 H new ATOM 0 HA ALA A 52 3.254 -5.179 -5.293 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.691 -5.142 -5.709 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.317 -5.508 -4.008 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.811 -6.814 -5.112 1.00 0.00 H new ATOM 754 N GLY A 53 2.691 -6.030 -7.558 1.00 0.00 N ATOM 755 CA GLY A 53 2.493 -6.385 -8.951 1.00 0.00 C ATOM 756 C GLY A 53 1.987 -7.804 -9.122 1.00 0.00 C ATOM 757 O GLY A 53 2.328 -8.478 -10.093 1.00 0.00 O ATOM 0 H GLY A 53 2.016 -5.362 -7.185 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.782 -5.692 -9.402 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.434 -6.271 -9.489 1.00 0.00 H new ATOM 761 N GLN A 54 1.173 -8.258 -8.175 1.00 0.00 N ATOM 762 CA GLN A 54 0.622 -9.608 -8.224 1.00 0.00 C ATOM 763 C GLN A 54 -0.902 -9.572 -8.274 1.00 0.00 C ATOM 764 O GLN A 54 -1.526 -8.642 -7.764 1.00 0.00 O ATOM 765 CB GLN A 54 1.086 -10.415 -7.011 1.00 0.00 C ATOM 766 CG GLN A 54 0.345 -11.731 -6.837 1.00 0.00 C ATOM 767 CD GLN A 54 1.191 -12.792 -6.160 1.00 0.00 C ATOM 768 OE1 GLN A 54 1.505 -13.824 -6.754 1.00 0.00 O ATOM 769 NE2 GLN A 54 1.564 -12.544 -4.911 1.00 0.00 N ATOM 0 H GLN A 54 0.880 -7.712 -7.365 1.00 0.00 H new ATOM 0 HA GLN A 54 0.986 -10.089 -9.132 1.00 0.00 H new ATOM 0 HB2 GLN A 54 2.153 -10.618 -7.106 1.00 0.00 H new ATOM 0 HB3 GLN A 54 0.955 -9.812 -6.112 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.557 -11.561 -6.249 1.00 0.00 H new ATOM 0 HG3 GLN A 54 0.025 -12.095 -7.813 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.281 -11.675 -4.457 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.134 -13.222 -4.405 1.00 0.00 H new ATOM 778 N GLN A 55 -1.493 -10.590 -8.890 1.00 0.00 N ATOM 779 CA GLN A 55 -2.944 -10.673 -9.006 1.00 0.00 C ATOM 780 C GLN A 55 -3.574 -11.081 -7.678 1.00 0.00 C ATOM 781 O GLN A 55 -3.381 -12.201 -7.206 1.00 0.00 O ATOM 782 CB GLN A 55 -3.333 -11.673 -10.097 1.00 0.00 C ATOM 783 CG GLN A 55 -4.810 -11.639 -10.454 1.00 0.00 C ATOM 784 CD GLN A 55 -5.123 -10.644 -11.554 1.00 0.00 C ATOM 785 OE1 GLN A 55 -5.279 -11.015 -12.717 1.00 0.00 O ATOM 786 NE2 GLN A 55 -5.215 -9.370 -11.191 1.00 0.00 N ATOM 0 H GLN A 55 -0.990 -11.368 -9.316 1.00 0.00 H new ATOM 0 HA GLN A 55 -3.319 -9.686 -9.277 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -2.746 -11.468 -10.992 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.070 -12.678 -9.767 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -5.127 -12.633 -10.768 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.389 -11.386 -9.566 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -5.078 -9.107 -10.215 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.422 -8.655 -11.888 1.00 0.00 H new ATOM 795 N PHE A 56 -4.328 -10.164 -7.081 1.00 0.00 N ATOM 796 CA PHE A 56 -4.985 -10.427 -5.806 1.00 0.00 C ATOM 797 C PHE A 56 -6.304 -9.666 -5.707 1.00 0.00 C ATOM 798 O PHE A 56 -6.702 -8.965 -6.637 1.00 0.00 O ATOM 799 CB PHE A 56 -4.069 -10.036 -4.645 1.00 0.00 C ATOM 800 CG PHE A 56 -3.908 -8.552 -4.482 1.00 0.00 C ATOM 801 CD1 PHE A 56 -4.850 -7.812 -3.785 1.00 0.00 C ATOM 802 CD2 PHE A 56 -2.815 -7.896 -5.025 1.00 0.00 C ATOM 803 CE1 PHE A 56 -4.705 -6.446 -3.635 1.00 0.00 C ATOM 804 CE2 PHE A 56 -2.664 -6.530 -4.878 1.00 0.00 C ATOM 805 CZ PHE A 56 -3.610 -5.804 -4.181 1.00 0.00 C ATOM 0 H PHE A 56 -4.499 -9.232 -7.460 1.00 0.00 H new ATOM 0 HA PHE A 56 -5.196 -11.495 -5.748 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.469 -10.454 -3.721 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.088 -10.485 -4.800 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -5.707 -8.309 -3.354 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.072 -8.459 -5.570 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.447 -5.880 -3.091 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.808 -6.031 -5.307 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.494 -4.737 -4.063 1.00 0.00 H new ATOM 815 N THR A 57 -6.980 -9.811 -4.571 1.00 0.00 N ATOM 816 CA THR A 57 -8.254 -9.140 -4.349 1.00 0.00 C ATOM 817 C THR A 57 -8.312 -8.514 -2.960 1.00 0.00 C ATOM 818 O THR A 57 -7.517 -8.852 -2.083 1.00 0.00 O ATOM 819 CB THR A 57 -9.437 -10.113 -4.511 1.00 0.00 C ATOM 820 OG1 THR A 57 -10.671 -9.431 -4.258 1.00 0.00 O ATOM 821 CG2 THR A 57 -9.301 -11.293 -3.561 1.00 0.00 C ATOM 0 H THR A 57 -6.666 -10.388 -3.791 1.00 0.00 H new ATOM 0 HA THR A 57 -8.333 -8.355 -5.101 1.00 0.00 H new ATOM 0 HB THR A 57 -9.432 -10.488 -5.534 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.418 -10.056 -4.365 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.148 -11.966 -3.694 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.375 -11.827 -3.775 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.282 -10.932 -2.533 1.00 0.00 H new ATOM 829 N SER A 58 -9.258 -7.601 -2.766 1.00 0.00 N ATOM 830 CA SER A 58 -9.417 -6.925 -1.484 1.00 0.00 C ATOM 831 C SER A 58 -10.748 -7.295 -0.836 1.00 0.00 C ATOM 832 O SER A 58 -11.764 -7.437 -1.518 1.00 0.00 O ATOM 833 CB SER A 58 -9.331 -5.409 -1.668 1.00 0.00 C ATOM 834 OG SER A 58 -10.298 -4.952 -2.597 1.00 0.00 O ATOM 0 H SER A 58 -9.926 -7.312 -3.481 1.00 0.00 H new ATOM 0 HA SER A 58 -8.610 -7.250 -0.828 1.00 0.00 H new ATOM 0 HB2 SER A 58 -9.482 -4.914 -0.709 1.00 0.00 H new ATOM 0 HB3 SER A 58 -8.334 -5.138 -2.014 1.00 0.00 H new ATOM 0 HG SER A 58 -10.223 -3.980 -2.695 1.00 0.00 H new ATOM 840 N ARG A 59 -10.734 -7.450 0.483 1.00 0.00 N ATOM 841 CA ARG A 59 -11.939 -7.804 1.224 1.00 0.00 C ATOM 842 C ARG A 59 -12.011 -7.041 2.543 1.00 0.00 C ATOM 843 O ARG A 59 -11.057 -7.036 3.322 1.00 0.00 O ATOM 844 CB ARG A 59 -11.974 -9.310 1.491 1.00 0.00 C ATOM 845 CG ARG A 59 -13.365 -9.842 1.797 1.00 0.00 C ATOM 846 CD ARG A 59 -14.199 -9.980 0.534 1.00 0.00 C ATOM 847 NE ARG A 59 -15.631 -9.984 0.821 1.00 0.00 N ATOM 848 CZ ARG A 59 -16.296 -11.060 1.227 1.00 0.00 C ATOM 849 NH1 ARG A 59 -15.661 -12.212 1.392 1.00 0.00 N ATOM 850 NH2 ARG A 59 -17.598 -10.985 1.468 1.00 0.00 N ATOM 0 H ARG A 59 -9.902 -7.336 1.061 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.802 -7.528 0.618 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.577 -9.834 0.622 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.315 -9.537 2.329 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -13.285 -10.811 2.289 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.867 -9.171 2.494 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -13.968 -9.159 -0.145 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -13.930 -10.903 0.021 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.149 -9.113 0.703 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -14.660 -12.273 1.207 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -16.174 -13.037 1.704 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -18.090 -10.100 1.342 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -18.107 -11.812 1.780 1.00 0.00 H new ATOM 864 N ASP A 60 -13.147 -6.397 2.787 1.00 0.00 N ATOM 865 CA ASP A 60 -13.344 -5.631 4.012 1.00 0.00 C ATOM 866 C ASP A 60 -12.204 -4.639 4.221 1.00 0.00 C ATOM 867 O ASP A 60 -11.757 -4.422 5.347 1.00 0.00 O ATOM 868 CB ASP A 60 -13.447 -6.570 5.215 1.00 0.00 C ATOM 869 CG ASP A 60 -14.478 -7.662 5.010 1.00 0.00 C ATOM 870 OD1 ASP A 60 -15.606 -7.342 4.580 1.00 0.00 O ATOM 871 OD2 ASP A 60 -14.156 -8.839 5.279 1.00 0.00 O ATOM 0 H ASP A 60 -13.946 -6.390 2.153 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.275 -5.072 3.917 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.474 -7.024 5.402 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.706 -5.992 6.102 1.00 0.00 H new ATOM 876 N GLU A 61 -11.738 -4.041 3.129 1.00 0.00 N ATOM 877 CA GLU A 61 -10.649 -3.074 3.194 1.00 0.00 C ATOM 878 C GLU A 61 -9.350 -3.746 3.629 1.00 0.00 C ATOM 879 O GLU A 61 -8.657 -3.261 4.524 1.00 0.00 O ATOM 880 CB GLU A 61 -10.999 -1.942 4.163 1.00 0.00 C ATOM 881 CG GLU A 61 -12.318 -1.258 3.847 1.00 0.00 C ATOM 882 CD GLU A 61 -12.343 0.193 4.287 1.00 0.00 C ATOM 883 OE1 GLU A 61 -11.609 0.538 5.236 1.00 0.00 O ATOM 884 OE2 GLU A 61 -13.097 0.983 3.681 1.00 0.00 O ATOM 0 H GLU A 61 -12.098 -4.209 2.189 1.00 0.00 H new ATOM 0 HA GLU A 61 -10.507 -2.658 2.196 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.040 -2.342 5.176 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -10.201 -1.200 4.145 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -12.503 -1.312 2.774 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.129 -1.797 4.337 1.00 0.00 H new ATOM 891 N ASP A 62 -9.026 -4.865 2.990 1.00 0.00 N ATOM 892 CA ASP A 62 -7.811 -5.604 3.310 1.00 0.00 C ATOM 893 C ASP A 62 -7.353 -6.438 2.117 1.00 0.00 C ATOM 894 O ASP A 62 -8.109 -7.229 1.554 1.00 0.00 O ATOM 895 CB ASP A 62 -8.042 -6.508 4.521 1.00 0.00 C ATOM 896 CG ASP A 62 -8.172 -5.724 5.812 1.00 0.00 C ATOM 897 OD1 ASP A 62 -7.209 -5.017 6.177 1.00 0.00 O ATOM 898 OD2 ASP A 62 -9.237 -5.817 6.458 1.00 0.00 O ATOM 0 H ASP A 62 -9.588 -5.280 2.247 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.029 -4.883 3.549 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.946 -7.097 4.364 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.214 -7.212 4.608 1.00 0.00 H new ATOM 903 N PRO A 63 -6.084 -6.257 1.721 1.00 0.00 N ATOM 904 CA PRO A 63 -5.497 -6.984 0.591 1.00 0.00 C ATOM 905 C PRO A 63 -5.294 -8.464 0.896 1.00 0.00 C ATOM 906 O PRO A 63 -4.543 -8.824 1.803 1.00 0.00 O ATOM 907 CB PRO A 63 -4.147 -6.290 0.386 1.00 0.00 C ATOM 908 CG PRO A 63 -3.813 -5.712 1.718 1.00 0.00 C ATOM 909 CD PRO A 63 -5.125 -5.331 2.345 1.00 0.00 C ATOM 0 HA PRO A 63 -6.142 -6.961 -0.288 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -3.384 -6.996 0.058 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.212 -5.514 -0.377 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -3.281 -6.436 2.335 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.163 -4.843 1.614 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -5.101 -5.447 3.429 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -5.380 -4.291 2.142 1.00 0.00 H new ATOM 917 N TYR A 64 -5.966 -9.318 0.133 1.00 0.00 N ATOM 918 CA TYR A 64 -5.861 -10.760 0.323 1.00 0.00 C ATOM 919 C TYR A 64 -5.458 -11.452 -0.975 1.00 0.00 C ATOM 920 O TYR A 64 -6.071 -11.240 -2.022 1.00 0.00 O ATOM 921 CB TYR A 64 -7.190 -11.327 0.826 1.00 0.00 C ATOM 922 CG TYR A 64 -7.439 -11.073 2.296 1.00 0.00 C ATOM 923 CD1 TYR A 64 -6.794 -11.825 3.270 1.00 0.00 C ATOM 924 CD2 TYR A 64 -8.318 -10.081 2.710 1.00 0.00 C ATOM 925 CE1 TYR A 64 -7.020 -11.598 4.613 1.00 0.00 C ATOM 926 CE2 TYR A 64 -8.549 -9.845 4.051 1.00 0.00 C ATOM 927 CZ TYR A 64 -7.897 -10.606 4.999 1.00 0.00 C ATOM 928 OH TYR A 64 -8.124 -10.375 6.337 1.00 0.00 O ATOM 0 H TYR A 64 -6.590 -9.037 -0.623 1.00 0.00 H new ATOM 0 HA TYR A 64 -5.088 -10.948 1.068 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -8.004 -10.890 0.247 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -7.210 -12.401 0.643 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -6.104 -12.600 2.972 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -8.830 -9.483 1.970 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -6.513 -12.194 5.357 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -9.236 -9.069 4.356 1.00 0.00 H new ATOM 0 HH TYR A 64 -8.767 -9.642 6.438 1.00 0.00 H new ATOM 938 N CYS A 65 -4.424 -12.283 -0.898 1.00 0.00 N ATOM 939 CA CYS A 65 -3.937 -13.008 -2.065 1.00 0.00 C ATOM 940 C CYS A 65 -4.928 -14.089 -2.487 1.00 0.00 C ATOM 941 O CYS A 65 -5.652 -14.640 -1.658 1.00 0.00 O ATOM 942 CB CYS A 65 -2.575 -13.639 -1.768 1.00 0.00 C ATOM 943 SG CYS A 65 -2.656 -15.122 -0.714 1.00 0.00 S ATOM 0 H CYS A 65 -3.907 -12.471 -0.039 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.830 -12.297 -2.884 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -2.095 -13.902 -2.711 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -1.941 -12.897 -1.284 1.00 0.00 H new ATOM 0 HG CYS A 65 -1.742 -15.050 0.208 1.00 0.00 H new ATOM 948 N VAL A 66 -4.956 -14.387 -3.782 1.00 0.00 N ATOM 949 CA VAL A 66 -5.857 -15.401 -4.315 1.00 0.00 C ATOM 950 C VAL A 66 -5.812 -16.672 -3.474 1.00 0.00 C ATOM 951 O VAL A 66 -6.833 -17.326 -3.263 1.00 0.00 O ATOM 952 CB VAL A 66 -5.509 -15.752 -5.773 1.00 0.00 C ATOM 953 CG1 VAL A 66 -6.435 -16.838 -6.298 1.00 0.00 C ATOM 954 CG2 VAL A 66 -5.580 -14.511 -6.650 1.00 0.00 C ATOM 0 H VAL A 66 -4.364 -13.940 -4.482 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.862 -14.980 -4.281 1.00 0.00 H new ATOM 0 HB VAL A 66 -4.488 -16.134 -5.802 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -6.173 -17.072 -7.330 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.330 -17.733 -5.685 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.467 -16.488 -6.256 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -5.331 -14.777 -7.677 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -6.588 -14.099 -6.616 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.871 -13.767 -6.286 1.00 0.00 H new ATOM 964 N ALA A 67 -4.620 -17.016 -2.995 1.00 0.00 N ATOM 965 CA ALA A 67 -4.442 -18.208 -2.175 1.00 0.00 C ATOM 966 C ALA A 67 -5.222 -18.097 -0.869 1.00 0.00 C ATOM 967 O ALA A 67 -5.683 -19.099 -0.322 1.00 0.00 O ATOM 968 CB ALA A 67 -2.965 -18.437 -1.892 1.00 0.00 C ATOM 0 H ALA A 67 -3.764 -16.486 -3.161 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.832 -19.062 -2.729 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.846 -19.330 -1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.430 -18.569 -2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.558 -17.576 -1.361 1.00 0.00 H new ATOM 974 N CYS A 68 -5.365 -16.873 -0.373 1.00 0.00 N ATOM 975 CA CYS A 68 -6.088 -16.630 0.870 1.00 0.00 C ATOM 976 C CYS A 68 -7.574 -16.411 0.600 1.00 0.00 C ATOM 977 O CYS A 68 -8.429 -17.036 1.229 1.00 0.00 O ATOM 978 CB CYS A 68 -5.505 -15.415 1.595 1.00 0.00 C ATOM 979 SG CYS A 68 -4.045 -15.790 2.617 1.00 0.00 S ATOM 0 H CYS A 68 -4.989 -16.033 -0.813 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.977 -17.510 1.504 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -5.234 -14.660 0.857 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -6.277 -14.979 2.229 1.00 0.00 H new ATOM 0 HG CYS A 68 -3.362 -14.702 2.814 1.00 0.00 H new ATOM 984 N PHE A 69 -7.875 -15.519 -0.338 1.00 0.00 N ATOM 985 CA PHE A 69 -9.257 -15.217 -0.691 1.00 0.00 C ATOM 986 C PHE A 69 -10.074 -16.497 -0.837 1.00 0.00 C ATOM 987 O PHE A 69 -11.168 -16.615 -0.287 1.00 0.00 O ATOM 988 CB PHE A 69 -9.309 -14.413 -1.991 1.00 0.00 C ATOM 989 CG PHE A 69 -10.706 -14.146 -2.475 1.00 0.00 C ATOM 990 CD1 PHE A 69 -11.547 -13.298 -1.773 1.00 0.00 C ATOM 991 CD2 PHE A 69 -11.179 -14.744 -3.632 1.00 0.00 C ATOM 992 CE1 PHE A 69 -12.833 -13.050 -2.215 1.00 0.00 C ATOM 993 CE2 PHE A 69 -12.463 -14.500 -4.080 1.00 0.00 C ATOM 994 CZ PHE A 69 -13.292 -13.653 -3.370 1.00 0.00 C ATOM 0 H PHE A 69 -7.180 -14.993 -0.867 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.690 -14.622 0.113 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -8.797 -13.462 -1.842 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.762 -14.952 -2.764 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -11.193 -12.825 -0.869 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -10.536 -15.409 -4.190 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -13.478 -12.386 -1.658 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -12.818 -14.971 -4.985 1.00 0.00 H new ATOM 0 HZ PHE A 69 -14.297 -13.463 -3.717 1.00 0.00 H new ATOM 1004 N GLY A 70 -9.533 -17.455 -1.585 1.00 0.00 N ATOM 1005 CA GLY A 70 -10.225 -18.714 -1.792 1.00 0.00 C ATOM 1006 C GLY A 70 -9.859 -19.754 -0.752 1.00 0.00 C ATOM 1007 O GLY A 70 -9.893 -20.953 -1.026 1.00 0.00 O ATOM 0 H GLY A 70 -8.629 -17.381 -2.051 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -11.301 -18.542 -1.767 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -9.987 -19.097 -2.784 1.00 0.00 H new ATOM 1011 N GLU A 71 -9.509 -19.294 0.445 1.00 0.00 N ATOM 1012 CA GLU A 71 -9.133 -20.194 1.529 1.00 0.00 C ATOM 1013 C GLU A 71 -9.805 -19.782 2.836 1.00 0.00 C ATOM 1014 O GLU A 71 -10.297 -20.625 3.587 1.00 0.00 O ATOM 1015 CB GLU A 71 -7.613 -20.209 1.706 1.00 0.00 C ATOM 1016 CG GLU A 71 -7.151 -20.983 2.928 1.00 0.00 C ATOM 1017 CD GLU A 71 -7.134 -22.482 2.697 1.00 0.00 C ATOM 1018 OE1 GLU A 71 -8.218 -23.101 2.743 1.00 0.00 O ATOM 1019 OE2 GLU A 71 -6.038 -23.036 2.471 1.00 0.00 O ATOM 0 H GLU A 71 -9.478 -18.304 0.689 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.470 -21.197 1.268 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.156 -20.644 0.817 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.254 -19.182 1.779 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.151 -20.651 3.207 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.808 -20.756 3.767 1.00 0.00 H new ATOM 1026 N LEU A 72 -9.821 -18.480 3.101 1.00 0.00 N ATOM 1027 CA LEU A 72 -10.431 -17.955 4.317 1.00 0.00 C ATOM 1028 C LEU A 72 -11.946 -17.852 4.166 1.00 0.00 C ATOM 1029 O LEU A 72 -12.699 -18.430 4.949 1.00 0.00 O ATOM 1030 CB LEU A 72 -9.846 -16.582 4.653 1.00 0.00 C ATOM 1031 CG LEU A 72 -8.444 -16.581 5.262 1.00 0.00 C ATOM 1032 CD1 LEU A 72 -7.402 -16.916 4.205 1.00 0.00 C ATOM 1033 CD2 LEU A 72 -8.141 -15.234 5.903 1.00 0.00 C ATOM 0 H LEU A 72 -9.419 -17.769 2.490 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.212 -18.646 5.131 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.825 -15.985 3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -10.522 -16.081 5.346 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.406 -17.347 6.037 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.410 -16.911 4.657 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.607 -17.904 3.792 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.441 -16.174 3.407 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -7.139 -15.252 6.331 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.199 -14.450 5.148 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -8.868 -15.034 6.690 1.00 0.00 H new ATOM 1045 N PHE A 73 -12.385 -17.113 3.152 1.00 0.00 N ATOM 1046 CA PHE A 73 -13.809 -16.935 2.896 1.00 0.00 C ATOM 1047 C PHE A 73 -14.387 -18.146 2.171 1.00 0.00 C ATOM 1048 O PHE A 73 -15.464 -18.633 2.514 1.00 0.00 O ATOM 1049 CB PHE A 73 -14.046 -15.670 2.069 1.00 0.00 C ATOM 1050 CG PHE A 73 -13.264 -14.482 2.553 1.00 0.00 C ATOM 1051 CD1 PHE A 73 -13.781 -13.647 3.530 1.00 0.00 C ATOM 1052 CD2 PHE A 73 -12.012 -14.201 2.030 1.00 0.00 C ATOM 1053 CE1 PHE A 73 -13.063 -12.553 3.976 1.00 0.00 C ATOM 1054 CE2 PHE A 73 -11.290 -13.109 2.472 1.00 0.00 C ATOM 1055 CZ PHE A 73 -11.816 -12.284 3.447 1.00 0.00 C ATOM 0 H PHE A 73 -11.775 -16.628 2.494 1.00 0.00 H new ATOM 0 HA PHE A 73 -14.315 -16.833 3.856 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -13.782 -15.870 1.030 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -15.109 -15.427 2.087 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -14.755 -13.853 3.948 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -11.596 -14.843 1.268 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -13.477 -11.909 4.738 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -10.315 -12.901 2.056 1.00 0.00 H new ATOM 0 HZ PHE A 73 -11.253 -11.430 3.795 1.00 0.00 H new