USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 614 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 98 GLN : amide:sc= -6.74! C(o=-6.1!,f=-18!) USER MOD Set 1.2: A 100 LYS NZ :NH3+ -153:sc= 0.62 (180deg=0) USER MOD Set 2.1: A 27 THR OG1 : rot -165:sc= 1.94 USER MOD Set 2.2: A 31 THR OG1 : rot 169:sc= 1.08 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.156 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -112:sc= -0.0444 (180deg=-0.559) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.0457 X(o=-0.046,f=-0.0002) USER MOD Single : A 37 GLN : amide:sc= -0.801 X(o=-0.8,f=-0.34) USER MOD Single : A 38 TYR OH : rot 167:sc= -2.12! USER MOD Single : A 43 SER OG : rot 180:sc= -3.41! USER MOD Single : A 46 LYS NZ :NH3+ -128:sc= 0.436 (180deg=-0.783) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -10.3! C(o=-10!,f=-14!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 179:sc= 0.652 (180deg=0.613) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.94! C(o=-1.9!,f=-10!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN :FLIP amide:sc= -1.88! C(o=-4.7!,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 215 N CYS A 14 11.782 -0.450 3.170 1.00 0.00 N ATOM 216 CA CYS A 14 11.618 0.834 3.901 1.00 0.00 C ATOM 217 C CYS A 14 10.795 0.596 5.171 1.00 0.00 C ATOM 218 O CYS A 14 9.582 0.512 5.133 1.00 0.00 O ATOM 219 CB CYS A 14 10.900 1.764 2.916 1.00 0.00 C ATOM 220 SG CYS A 14 12.103 2.435 1.734 1.00 0.00 S ATOM 0 HA CYS A 14 12.564 1.270 4.223 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.119 1.218 2.387 1.00 0.00 H new ATOM 0 HB3 CYS A 14 10.412 2.576 3.455 1.00 0.00 H new ATOM 225 N THR A 15 11.454 0.451 6.290 1.00 0.00 N ATOM 226 CA THR A 15 10.727 0.179 7.567 1.00 0.00 C ATOM 227 C THR A 15 10.276 1.471 8.255 1.00 0.00 C ATOM 228 O THR A 15 9.538 1.430 9.219 1.00 0.00 O ATOM 229 CB THR A 15 11.741 -0.559 8.442 1.00 0.00 C ATOM 230 OG1 THR A 15 13.047 -0.082 8.154 1.00 0.00 O ATOM 231 CG2 THR A 15 11.670 -2.059 8.156 1.00 0.00 C ATOM 0 H THR A 15 12.469 0.509 6.376 1.00 0.00 H new ATOM 0 HA THR A 15 9.819 -0.397 7.390 1.00 0.00 H new ATOM 0 HB THR A 15 11.511 -0.381 9.493 1.00 0.00 H new ATOM 0 HG1 THR A 15 13.698 -0.553 8.715 1.00 0.00 H new ATOM 0 HG21 THR A 15 12.393 -2.583 8.781 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.667 -2.425 8.377 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.899 -2.240 7.106 1.00 0.00 H new ATOM 239 N GLY A 16 10.707 2.612 7.790 1.00 0.00 N ATOM 240 CA GLY A 16 10.284 3.878 8.448 1.00 0.00 C ATOM 241 C GLY A 16 8.759 4.002 8.404 1.00 0.00 C ATOM 242 O GLY A 16 8.040 3.135 8.861 1.00 0.00 O ATOM 0 H GLY A 16 11.329 2.721 6.989 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.629 3.894 9.482 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.742 4.730 7.946 1.00 0.00 H new ATOM 246 N LYS A 17 8.256 5.077 7.866 1.00 0.00 N ATOM 247 CA LYS A 17 6.778 5.255 7.805 1.00 0.00 C ATOM 248 C LYS A 17 6.370 5.771 6.424 1.00 0.00 C ATOM 249 O LYS A 17 7.206 6.076 5.598 1.00 0.00 O ATOM 250 CB LYS A 17 6.480 6.299 8.876 1.00 0.00 C ATOM 251 CG LYS A 17 5.734 5.642 10.036 1.00 0.00 C ATOM 252 CD LYS A 17 6.465 5.936 11.347 1.00 0.00 C ATOM 253 CE LYS A 17 7.750 5.108 11.413 1.00 0.00 C ATOM 254 NZ LYS A 17 8.074 5.017 12.864 1.00 0.00 N ATOM 0 H LYS A 17 8.803 5.840 7.466 1.00 0.00 H new ATOM 0 HA LYS A 17 6.232 4.326 7.969 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.409 6.744 9.233 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.881 7.106 8.455 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.712 6.019 10.085 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.669 4.566 9.877 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.701 6.998 11.414 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.823 5.698 12.195 1.00 0.00 H new ATOM 0 HE2 LYS A 17 7.605 4.119 10.978 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.557 5.586 10.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.945 4.463 12.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.213 5.973 13.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.291 4.552 13.366 1.00 0.00 H new ATOM 268 N PHE A 18 5.095 5.867 6.157 1.00 0.00 N ATOM 269 CA PHE A 18 4.665 6.359 4.820 1.00 0.00 C ATOM 270 C PHE A 18 3.566 7.413 4.938 1.00 0.00 C ATOM 271 O PHE A 18 2.631 7.276 5.702 1.00 0.00 O ATOM 272 CB PHE A 18 4.149 5.127 4.100 1.00 0.00 C ATOM 273 CG PHE A 18 5.322 4.371 3.542 1.00 0.00 C ATOM 274 CD1 PHE A 18 6.076 3.551 4.383 1.00 0.00 C ATOM 275 CD2 PHE A 18 5.668 4.506 2.194 1.00 0.00 C ATOM 276 CE1 PHE A 18 7.179 2.857 3.879 1.00 0.00 C ATOM 277 CE2 PHE A 18 6.774 3.815 1.688 1.00 0.00 C ATOM 278 CZ PHE A 18 7.530 2.989 2.532 1.00 0.00 C ATOM 0 H PHE A 18 4.341 5.628 6.801 1.00 0.00 H new ATOM 0 HA PHE A 18 5.485 6.840 4.287 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.584 4.496 4.787 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.468 5.414 3.299 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.807 3.453 5.424 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.083 5.142 1.546 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.760 2.219 4.529 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.045 3.918 0.648 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.384 2.455 2.142 1.00 0.00 H new ATOM 288 N LYS A 19 3.673 8.460 4.170 1.00 0.00 N ATOM 289 CA LYS A 19 2.642 9.529 4.205 1.00 0.00 C ATOM 290 C LYS A 19 1.815 9.476 2.925 1.00 0.00 C ATOM 291 O LYS A 19 2.336 9.614 1.837 1.00 0.00 O ATOM 292 CB LYS A 19 3.435 10.833 4.266 1.00 0.00 C ATOM 293 CG LYS A 19 2.467 12.019 4.265 1.00 0.00 C ATOM 294 CD LYS A 19 3.242 13.311 4.002 1.00 0.00 C ATOM 295 CE LYS A 19 3.506 13.451 2.501 1.00 0.00 C ATOM 296 NZ LYS A 19 3.616 14.917 2.264 1.00 0.00 N ATOM 0 H LYS A 19 4.438 8.621 3.514 1.00 0.00 H new ATOM 0 HA LYS A 19 1.956 9.427 5.046 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.052 10.854 5.164 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.111 10.901 3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.704 11.878 3.500 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.950 12.081 5.223 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.674 14.168 4.364 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.185 13.300 4.548 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.421 12.935 2.211 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.696 13.016 1.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.797 15.093 1.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.728 15.381 2.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.400 15.302 2.829 1.00 0.00 H new ATOM 310 N VAL A 20 0.533 9.283 3.031 1.00 0.00 N ATOM 311 CA VAL A 20 -0.293 9.231 1.796 1.00 0.00 C ATOM 312 C VAL A 20 -0.154 10.558 1.046 1.00 0.00 C ATOM 313 O VAL A 20 -0.287 11.624 1.612 1.00 0.00 O ATOM 314 CB VAL A 20 -1.732 9.026 2.274 1.00 0.00 C ATOM 315 CG1 VAL A 20 -2.647 8.814 1.065 1.00 0.00 C ATOM 316 CG2 VAL A 20 -1.797 7.796 3.181 1.00 0.00 C ATOM 0 H VAL A 20 0.026 9.160 3.907 1.00 0.00 H new ATOM 0 HA VAL A 20 0.012 8.434 1.118 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.059 9.906 2.828 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.672 8.668 1.406 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.601 9.689 0.416 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.320 7.934 0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.822 7.649 3.522 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.470 6.917 2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.146 7.944 4.042 1.00 0.00 H new ATOM 326 N VAL A 21 0.101 10.491 -0.225 1.00 0.00 N ATOM 327 CA VAL A 21 0.241 11.723 -1.042 1.00 0.00 C ATOM 328 C VAL A 21 -1.029 11.851 -1.873 1.00 0.00 C ATOM 329 O VAL A 21 -1.461 12.928 -2.233 1.00 0.00 O ATOM 330 CB VAL A 21 1.477 11.464 -1.912 1.00 0.00 C ATOM 331 CG1 VAL A 21 1.686 12.613 -2.897 1.00 0.00 C ATOM 332 CG2 VAL A 21 2.709 11.352 -1.012 1.00 0.00 C ATOM 0 H VAL A 21 0.221 9.620 -0.742 1.00 0.00 H new ATOM 0 HA VAL A 21 0.364 12.645 -0.474 1.00 0.00 H new ATOM 0 HB VAL A 21 1.328 10.539 -2.469 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.567 12.414 -3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.812 12.703 -3.541 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.829 13.543 -2.346 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.592 11.168 -1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.840 12.281 -0.457 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.575 10.527 -0.312 1.00 0.00 H new ATOM 342 N LYS A 22 -1.647 10.732 -2.131 1.00 0.00 N ATOM 343 CA LYS A 22 -2.924 10.718 -2.886 1.00 0.00 C ATOM 344 C LYS A 22 -3.670 9.427 -2.553 1.00 0.00 C ATOM 345 O LYS A 22 -3.096 8.346 -2.537 1.00 0.00 O ATOM 346 CB LYS A 22 -2.555 10.775 -4.362 1.00 0.00 C ATOM 347 CG LYS A 22 -3.814 10.541 -5.197 1.00 0.00 C ATOM 348 CD LYS A 22 -3.443 9.764 -6.460 1.00 0.00 C ATOM 349 CE LYS A 22 -4.150 10.383 -7.668 1.00 0.00 C ATOM 350 NZ LYS A 22 -3.469 11.690 -7.884 1.00 0.00 N ATOM 0 H LYS A 22 -1.312 9.812 -1.844 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.571 11.558 -2.631 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.117 11.743 -4.604 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.804 10.019 -4.592 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.551 9.985 -4.617 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.271 11.494 -5.463 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.363 9.784 -6.608 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.731 8.718 -6.354 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.064 9.743 -8.546 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.214 10.519 -7.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.127 12.465 -7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.638 11.755 -7.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.166 11.764 -8.876 1.00 0.00 H new ATOM 364 N GLU A 23 -4.937 9.542 -2.273 1.00 0.00 N ATOM 365 CA GLU A 23 -5.750 8.347 -1.905 1.00 0.00 C ATOM 366 C GLU A 23 -5.598 7.234 -2.936 1.00 0.00 C ATOM 367 O GLU A 23 -5.205 7.457 -4.063 1.00 0.00 O ATOM 368 CB GLU A 23 -7.193 8.849 -1.867 1.00 0.00 C ATOM 369 CG GLU A 23 -8.006 7.990 -0.895 1.00 0.00 C ATOM 370 CD GLU A 23 -7.865 8.548 0.522 1.00 0.00 C ATOM 371 OE1 GLU A 23 -6.792 8.410 1.087 1.00 0.00 O ATOM 372 OE2 GLU A 23 -8.832 9.103 1.018 1.00 0.00 O ATOM 0 H GLU A 23 -5.451 10.423 -2.283 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.432 7.923 -0.952 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.218 9.893 -1.555 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.632 8.804 -2.864 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.055 7.982 -1.191 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.658 6.958 -0.927 1.00 0.00 H new ATOM 379 N ILE A 24 -5.907 6.031 -2.542 1.00 0.00 N ATOM 380 CA ILE A 24 -5.785 4.884 -3.479 1.00 0.00 C ATOM 381 C ILE A 24 -6.600 5.141 -4.749 1.00 0.00 C ATOM 382 O ILE A 24 -7.760 5.499 -4.699 1.00 0.00 O ATOM 383 CB ILE A 24 -6.332 3.669 -2.705 1.00 0.00 C ATOM 384 CG1 ILE A 24 -5.173 2.911 -2.061 1.00 0.00 C ATOM 385 CG2 ILE A 24 -7.066 2.712 -3.649 1.00 0.00 C ATOM 386 CD1 ILE A 24 -4.154 2.535 -3.143 1.00 0.00 C ATOM 0 H ILE A 24 -6.240 5.793 -1.608 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.756 4.723 -3.801 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.024 4.032 -1.945 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.699 3.527 -1.297 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.541 2.014 -1.564 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.444 1.861 -3.083 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.899 3.234 -4.120 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.378 2.359 -4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.324 1.994 -2.689 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.634 1.903 -3.891 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.779 3.441 -3.620 1.00 0.00 H new ATOM 398 N ALA A 25 -6.003 4.922 -5.881 1.00 0.00 N ATOM 399 CA ALA A 25 -6.732 5.105 -7.159 1.00 0.00 C ATOM 400 C ALA A 25 -6.966 3.728 -7.770 1.00 0.00 C ATOM 401 O ALA A 25 -6.290 2.785 -7.437 1.00 0.00 O ATOM 402 CB ALA A 25 -5.800 5.942 -8.034 1.00 0.00 C ATOM 0 H ALA A 25 -5.033 4.621 -5.976 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.700 5.594 -7.045 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.271 6.120 -9.001 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.602 6.896 -7.546 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.861 5.408 -8.181 1.00 0.00 H new ATOM 408 N GLU A 26 -7.910 3.576 -8.645 1.00 0.00 N ATOM 409 CA GLU A 26 -8.128 2.222 -9.218 1.00 0.00 C ATOM 410 C GLU A 26 -7.713 2.190 -10.686 1.00 0.00 C ATOM 411 O GLU A 26 -8.043 3.066 -11.460 1.00 0.00 O ATOM 412 CB GLU A 26 -9.622 1.949 -9.061 1.00 0.00 C ATOM 413 CG GLU A 26 -10.415 3.177 -9.501 1.00 0.00 C ATOM 414 CD GLU A 26 -10.778 4.017 -8.274 1.00 0.00 C ATOM 415 OE1 GLU A 26 -9.936 4.149 -7.402 1.00 0.00 O ATOM 416 OE2 GLU A 26 -11.890 4.514 -8.231 1.00 0.00 O ATOM 0 H GLU A 26 -8.530 4.311 -8.985 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.531 1.463 -8.713 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.909 1.084 -9.660 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.851 1.708 -8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.827 3.771 -10.201 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.320 2.870 -10.025 1.00 0.00 H new ATOM 423 N THR A 27 -6.975 1.185 -11.067 1.00 0.00 N ATOM 424 CA THR A 27 -6.517 1.092 -12.480 1.00 0.00 C ATOM 425 C THR A 27 -7.512 0.271 -13.306 1.00 0.00 C ATOM 426 O THR A 27 -8.408 -0.356 -12.775 1.00 0.00 O ATOM 427 CB THR A 27 -5.156 0.388 -12.411 1.00 0.00 C ATOM 428 OG1 THR A 27 -5.357 -1.017 -12.357 1.00 0.00 O ATOM 429 CG2 THR A 27 -4.394 0.847 -11.162 1.00 0.00 C ATOM 0 H THR A 27 -6.669 0.424 -10.460 1.00 0.00 H new ATOM 0 HA THR A 27 -6.444 2.069 -12.957 1.00 0.00 H new ATOM 0 HB THR A 27 -4.573 0.641 -13.296 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.526 -1.456 -12.080 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.428 0.343 -11.119 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.239 1.925 -11.206 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.972 0.600 -10.272 1.00 0.00 H new ATOM 437 N GLN A 28 -7.363 0.274 -14.603 1.00 0.00 N ATOM 438 CA GLN A 28 -8.303 -0.501 -15.463 1.00 0.00 C ATOM 439 C GLN A 28 -7.984 -1.997 -15.395 1.00 0.00 C ATOM 440 O GLN A 28 -8.783 -2.830 -15.774 1.00 0.00 O ATOM 441 CB GLN A 28 -8.073 0.031 -16.878 1.00 0.00 C ATOM 442 CG GLN A 28 -6.579 -0.014 -17.204 1.00 0.00 C ATOM 443 CD GLN A 28 -6.387 -0.436 -18.662 1.00 0.00 C ATOM 444 OE1 GLN A 28 -6.130 -1.590 -18.943 1.00 0.00 O ATOM 445 NE2 GLN A 28 -6.502 0.456 -19.608 1.00 0.00 N ATOM 0 H GLN A 28 -6.632 0.779 -15.104 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.339 -0.386 -15.144 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.631 -0.567 -17.598 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.443 1.053 -16.958 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -6.130 0.965 -17.035 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -6.072 -0.716 -16.541 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.718 1.425 -19.372 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.376 0.184 -20.583 1.00 0.00 H new ATOM 454 N HIS A 29 -6.821 -2.347 -14.918 1.00 0.00 N ATOM 455 CA HIS A 29 -6.455 -3.790 -14.831 1.00 0.00 C ATOM 456 C HIS A 29 -7.089 -4.426 -13.591 1.00 0.00 C ATOM 457 O HIS A 29 -6.908 -5.597 -13.321 1.00 0.00 O ATOM 458 CB HIS A 29 -4.930 -3.804 -14.718 1.00 0.00 C ATOM 459 CG HIS A 29 -4.328 -3.980 -16.084 1.00 0.00 C ATOM 460 ND1 HIS A 29 -3.462 -3.049 -16.636 1.00 0.00 N ATOM 461 CD2 HIS A 29 -4.457 -4.974 -17.023 1.00 0.00 C ATOM 462 CE1 HIS A 29 -3.106 -3.497 -17.853 1.00 0.00 C ATOM 463 NE2 HIS A 29 -3.684 -4.667 -18.140 1.00 0.00 N ATOM 0 H HIS A 29 -6.109 -1.697 -14.585 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.807 -4.357 -15.693 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.579 -2.874 -14.271 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.611 -4.613 -14.061 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -5.066 -5.859 -16.912 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -2.434 -2.974 -18.518 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.581 -5.217 -18.993 1.00 0.00 H new ATOM 471 N GLY A 30 -7.827 -3.663 -12.832 1.00 0.00 N ATOM 472 CA GLY A 30 -8.465 -4.224 -11.608 1.00 0.00 C ATOM 473 C GLY A 30 -7.557 -3.972 -10.405 1.00 0.00 C ATOM 474 O GLY A 30 -7.795 -4.462 -9.320 1.00 0.00 O ATOM 0 H GLY A 30 -8.016 -2.676 -13.007 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.439 -3.761 -11.447 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.637 -5.293 -11.731 1.00 0.00 H new ATOM 478 N THR A 31 -6.516 -3.206 -10.590 1.00 0.00 N ATOM 479 CA THR A 31 -5.589 -2.919 -9.460 1.00 0.00 C ATOM 480 C THR A 31 -5.914 -1.565 -8.837 1.00 0.00 C ATOM 481 O THR A 31 -6.748 -0.826 -9.322 1.00 0.00 O ATOM 482 CB THR A 31 -4.192 -2.879 -10.082 1.00 0.00 C ATOM 483 OG1 THR A 31 -4.292 -3.003 -11.495 1.00 0.00 O ATOM 484 CG2 THR A 31 -3.359 -4.029 -9.525 1.00 0.00 C ATOM 0 H THR A 31 -6.268 -2.766 -11.476 1.00 0.00 H new ATOM 0 HA THR A 31 -5.670 -3.669 -8.673 1.00 0.00 H new ATOM 0 HB THR A 31 -3.713 -1.930 -9.839 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.426 -2.796 -11.904 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.363 -4.004 -9.966 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.279 -3.929 -8.442 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.839 -4.977 -9.768 1.00 0.00 H new ATOM 492 N ILE A 32 -5.241 -1.227 -7.777 1.00 0.00 N ATOM 493 CA ILE A 32 -5.480 0.088 -7.128 1.00 0.00 C ATOM 494 C ILE A 32 -4.132 0.772 -6.942 1.00 0.00 C ATOM 495 O ILE A 32 -3.138 0.138 -6.661 1.00 0.00 O ATOM 496 CB ILE A 32 -6.144 -0.183 -5.769 1.00 0.00 C ATOM 497 CG1 ILE A 32 -6.549 -1.655 -5.635 1.00 0.00 C ATOM 498 CG2 ILE A 32 -7.396 0.684 -5.647 1.00 0.00 C ATOM 499 CD1 ILE A 32 -6.947 -1.938 -4.187 1.00 0.00 C ATOM 0 H ILE A 32 -4.532 -1.808 -7.330 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.125 0.731 -7.727 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.429 0.055 -4.982 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.381 -1.878 -6.303 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.722 -2.300 -5.930 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.875 0.499 -4.685 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.119 1.736 -5.718 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.089 0.437 -6.451 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -7.236 -2.984 -4.087 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -6.102 -1.730 -3.530 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.787 -1.301 -3.910 1.00 0.00 H new ATOM 511 N VAL A 33 -4.086 2.051 -7.129 1.00 0.00 N ATOM 512 CA VAL A 33 -2.794 2.774 -7.008 1.00 0.00 C ATOM 513 C VAL A 33 -2.752 3.658 -5.764 1.00 0.00 C ATOM 514 O VAL A 33 -3.660 4.419 -5.496 1.00 0.00 O ATOM 515 CB VAL A 33 -2.743 3.624 -8.272 1.00 0.00 C ATOM 516 CG1 VAL A 33 -1.686 4.717 -8.119 1.00 0.00 C ATOM 517 CG2 VAL A 33 -2.398 2.732 -9.465 1.00 0.00 C ATOM 0 H VAL A 33 -4.890 2.634 -7.362 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.948 2.094 -6.908 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.714 4.092 -8.436 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.654 5.322 -9.025 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.938 5.351 -7.269 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.711 4.259 -7.953 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.360 3.336 -10.372 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.428 2.263 -9.300 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.160 1.960 -9.574 1.00 0.00 H new ATOM 527 N ILE A 34 -1.687 3.580 -5.016 1.00 0.00 N ATOM 528 CA ILE A 34 -1.562 4.425 -3.809 1.00 0.00 C ATOM 529 C ILE A 34 -0.359 5.345 -3.958 1.00 0.00 C ATOM 530 O ILE A 34 0.753 4.898 -4.116 1.00 0.00 O ATOM 531 CB ILE A 34 -1.393 3.443 -2.646 1.00 0.00 C ATOM 532 CG1 ILE A 34 -2.178 3.985 -1.469 1.00 0.00 C ATOM 533 CG2 ILE A 34 0.081 3.288 -2.251 1.00 0.00 C ATOM 534 CD1 ILE A 34 -1.463 5.210 -0.913 1.00 0.00 C ATOM 0 H ILE A 34 -0.896 2.961 -5.195 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.426 5.069 -3.645 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.757 2.461 -2.947 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.189 4.249 -1.781 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.272 3.222 -0.696 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.164 2.584 -1.423 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.649 2.914 -3.103 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.480 4.256 -1.946 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.023 5.605 -0.065 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.461 4.930 -0.587 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.392 5.973 -1.688 1.00 0.00 H new ATOM 546 N ARG A 35 -0.568 6.620 -3.897 1.00 0.00 N ATOM 547 CA ARG A 35 0.573 7.553 -4.035 1.00 0.00 C ATOM 548 C ARG A 35 0.892 8.122 -2.661 1.00 0.00 C ATOM 549 O ARG A 35 0.125 8.871 -2.090 1.00 0.00 O ATOM 550 CB ARG A 35 0.095 8.618 -5.034 1.00 0.00 C ATOM 551 CG ARG A 35 0.497 10.024 -4.573 1.00 0.00 C ATOM 552 CD ARG A 35 0.262 11.021 -5.711 1.00 0.00 C ATOM 553 NE ARG A 35 1.619 11.518 -6.072 1.00 0.00 N ATOM 554 CZ ARG A 35 1.752 12.516 -6.904 1.00 0.00 C ATOM 555 NH1 ARG A 35 0.697 13.085 -7.422 1.00 0.00 N ATOM 556 NH2 ARG A 35 2.944 12.949 -7.216 1.00 0.00 N ATOM 0 H ARG A 35 -1.478 7.059 -3.758 1.00 0.00 H new ATOM 0 HA ARG A 35 1.491 7.093 -4.400 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.522 8.418 -6.017 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.988 8.562 -5.140 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.085 10.311 -3.697 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.546 10.035 -4.276 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.223 10.542 -6.562 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.386 11.838 -5.393 1.00 0.00 H new ATOM 0 HE ARG A 35 2.446 11.078 -5.669 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.235 12.750 -7.177 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.805 13.864 -8.071 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.769 12.508 -6.810 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.050 13.728 -7.866 1.00 0.00 H new ATOM 570 N VAL A 36 2.011 7.754 -2.121 1.00 0.00 N ATOM 571 CA VAL A 36 2.376 8.244 -0.785 1.00 0.00 C ATOM 572 C VAL A 36 3.784 8.764 -0.822 1.00 0.00 C ATOM 573 O VAL A 36 4.362 8.948 -1.867 1.00 0.00 O ATOM 574 CB VAL A 36 2.251 7.035 0.146 1.00 0.00 C ATOM 575 CG1 VAL A 36 1.044 6.194 -0.263 1.00 0.00 C ATOM 576 CG2 VAL A 36 3.515 6.173 0.065 1.00 0.00 C ATOM 0 H VAL A 36 2.690 7.130 -2.556 1.00 0.00 H new ATOM 0 HA VAL A 36 1.738 9.059 -0.443 1.00 0.00 H new ATOM 0 HB VAL A 36 2.123 7.391 1.168 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.958 5.334 0.401 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.139 6.798 -0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.172 5.848 -1.289 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.414 5.316 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.652 5.823 -0.958 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.379 6.766 0.364 1.00 0.00 H new ATOM 586 N GLN A 37 4.332 9.009 0.308 1.00 0.00 N ATOM 587 CA GLN A 37 5.702 9.530 0.359 1.00 0.00 C ATOM 588 C GLN A 37 6.458 8.777 1.441 1.00 0.00 C ATOM 589 O GLN A 37 5.997 8.655 2.558 1.00 0.00 O ATOM 590 CB GLN A 37 5.499 10.992 0.719 1.00 0.00 C ATOM 591 CG GLN A 37 6.854 11.678 0.906 1.00 0.00 C ATOM 592 CD GLN A 37 6.757 13.133 0.447 1.00 0.00 C ATOM 593 OE1 GLN A 37 7.013 14.041 1.212 1.00 0.00 O ATOM 594 NE2 GLN A 37 6.396 13.395 -0.780 1.00 0.00 N ATOM 0 H GLN A 37 3.886 8.870 1.215 1.00 0.00 H new ATOM 0 HA GLN A 37 6.276 9.418 -0.561 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.934 11.493 -0.067 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.912 11.072 1.634 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.154 11.635 1.953 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.620 11.155 0.333 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.181 12.632 -1.422 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.329 14.362 -1.096 1.00 0.00 H new ATOM 603 N TYR A 38 7.596 8.243 1.127 1.00 0.00 N ATOM 604 CA TYR A 38 8.333 7.474 2.165 1.00 0.00 C ATOM 605 C TYR A 38 8.659 8.379 3.355 1.00 0.00 C ATOM 606 O TYR A 38 9.271 9.417 3.215 1.00 0.00 O ATOM 607 CB TYR A 38 9.612 6.988 1.486 1.00 0.00 C ATOM 608 CG TYR A 38 10.413 6.134 2.446 1.00 0.00 C ATOM 609 CD1 TYR A 38 9.814 5.617 3.603 1.00 0.00 C ATOM 610 CD2 TYR A 38 11.758 5.859 2.175 1.00 0.00 C ATOM 611 CE1 TYR A 38 10.562 4.829 4.486 1.00 0.00 C ATOM 612 CE2 TYR A 38 12.504 5.071 3.058 1.00 0.00 C ATOM 613 CZ TYR A 38 11.907 4.556 4.214 1.00 0.00 C ATOM 614 OH TYR A 38 12.643 3.779 5.084 1.00 0.00 O ATOM 0 H TYR A 38 8.046 8.301 0.213 1.00 0.00 H new ATOM 0 HA TYR A 38 7.747 6.639 2.550 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.364 6.413 0.594 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.208 7.841 1.160 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.776 5.826 3.813 1.00 0.00 H new ATOM 0 HD2 TYR A 38 12.221 6.255 1.283 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.100 4.432 5.378 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.542 4.860 2.847 1.00 0.00 H new ATOM 0 HH TYR A 38 13.483 3.514 4.655 1.00 0.00 H new ATOM 624 N GLU A 39 8.243 7.991 4.529 1.00 0.00 N ATOM 625 CA GLU A 39 8.515 8.821 5.736 1.00 0.00 C ATOM 626 C GLU A 39 9.408 8.054 6.710 1.00 0.00 C ATOM 627 O GLU A 39 8.932 7.395 7.611 1.00 0.00 O ATOM 628 CB GLU A 39 7.143 9.065 6.361 1.00 0.00 C ATOM 629 CG GLU A 39 6.323 9.989 5.458 1.00 0.00 C ATOM 630 CD GLU A 39 6.104 11.329 6.163 1.00 0.00 C ATOM 631 OE1 GLU A 39 5.967 11.323 7.376 1.00 0.00 O ATOM 632 OE2 GLU A 39 6.076 12.339 5.479 1.00 0.00 O ATOM 0 H GLU A 39 7.724 7.131 4.705 1.00 0.00 H new ATOM 0 HA GLU A 39 9.028 9.751 5.491 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.621 8.118 6.498 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.257 9.512 7.348 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.842 10.144 4.512 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.363 9.528 5.224 1.00 0.00 H new ATOM 639 N GLY A 40 10.697 8.127 6.538 1.00 0.00 N ATOM 640 CA GLY A 40 11.601 7.389 7.462 1.00 0.00 C ATOM 641 C GLY A 40 13.002 7.311 6.868 1.00 0.00 C ATOM 642 O GLY A 40 13.430 8.177 6.134 1.00 0.00 O ATOM 0 H GLY A 40 11.161 8.661 5.804 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.634 7.891 8.429 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.215 6.385 7.637 1.00 0.00 H new ATOM 646 N ASP A 41 13.717 6.275 7.190 1.00 0.00 N ATOM 647 CA ASP A 41 15.101 6.130 6.653 1.00 0.00 C ATOM 648 C ASP A 41 15.180 4.939 5.697 1.00 0.00 C ATOM 649 O ASP A 41 14.775 3.842 6.024 1.00 0.00 O ATOM 650 CB ASP A 41 15.979 5.891 7.881 1.00 0.00 C ATOM 651 CG ASP A 41 16.686 7.193 8.265 1.00 0.00 C ATOM 652 OD1 ASP A 41 16.019 8.213 8.312 1.00 0.00 O ATOM 653 OD2 ASP A 41 17.881 7.148 8.505 1.00 0.00 O ATOM 0 H ASP A 41 13.407 5.520 7.802 1.00 0.00 H new ATOM 0 HA ASP A 41 15.417 7.008 6.089 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.370 5.536 8.713 1.00 0.00 H new ATOM 0 HB3 ASP A 41 16.714 5.114 7.670 1.00 0.00 H new ATOM 658 N GLY A 42 15.701 5.145 4.517 1.00 0.00 N ATOM 659 CA GLY A 42 15.803 4.017 3.553 1.00 0.00 C ATOM 660 C GLY A 42 16.390 4.497 2.224 1.00 0.00 C ATOM 661 O GLY A 42 16.988 3.729 1.498 1.00 0.00 O ATOM 0 H GLY A 42 16.058 6.040 4.183 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.430 3.230 3.971 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.817 3.584 3.386 1.00 0.00 H new ATOM 665 N SER A 43 16.228 5.749 1.883 1.00 0.00 N ATOM 666 CA SER A 43 16.789 6.216 0.588 1.00 0.00 C ATOM 667 C SER A 43 16.354 5.219 -0.499 1.00 0.00 C ATOM 668 O SER A 43 15.357 4.553 -0.320 1.00 0.00 O ATOM 669 CB SER A 43 18.294 6.188 0.831 1.00 0.00 C ATOM 670 OG SER A 43 18.918 7.232 0.095 1.00 0.00 O ATOM 0 H SER A 43 15.740 6.454 2.436 1.00 0.00 H new ATOM 0 HA SER A 43 16.460 7.203 0.262 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.503 6.305 1.894 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.703 5.223 0.530 1.00 0.00 H new ATOM 0 HG SER A 43 19.885 7.212 0.255 1.00 0.00 H new ATOM 676 N PRO A 44 17.092 5.112 -1.581 1.00 0.00 N ATOM 677 CA PRO A 44 16.708 4.142 -2.628 1.00 0.00 C ATOM 678 C PRO A 44 16.385 2.810 -1.951 1.00 0.00 C ATOM 679 O PRO A 44 17.258 2.022 -1.648 1.00 0.00 O ATOM 680 CB PRO A 44 17.945 4.050 -3.514 1.00 0.00 C ATOM 681 CG PRO A 44 18.653 5.354 -3.317 1.00 0.00 C ATOM 682 CD PRO A 44 18.308 5.847 -1.934 1.00 0.00 C ATOM 0 HA PRO A 44 15.830 4.423 -3.210 1.00 0.00 H new ATOM 0 HB2 PRO A 44 18.576 3.209 -3.226 1.00 0.00 H new ATOM 0 HB3 PRO A 44 17.673 3.901 -4.559 1.00 0.00 H new ATOM 0 HG2 PRO A 44 19.730 5.226 -3.422 1.00 0.00 H new ATOM 0 HG3 PRO A 44 18.343 6.077 -4.071 1.00 0.00 H new ATOM 0 HD2 PRO A 44 19.113 5.646 -1.228 1.00 0.00 H new ATOM 0 HD3 PRO A 44 18.138 6.924 -1.926 1.00 0.00 H new ATOM 690 N CYS A 45 15.134 2.582 -1.674 1.00 0.00 N ATOM 691 CA CYS A 45 14.729 1.334 -0.968 1.00 0.00 C ATOM 692 C CYS A 45 13.321 0.914 -1.417 1.00 0.00 C ATOM 693 O CYS A 45 12.659 1.622 -2.146 1.00 0.00 O ATOM 694 CB CYS A 45 14.790 1.732 0.521 1.00 0.00 C ATOM 695 SG CYS A 45 13.462 0.957 1.477 1.00 0.00 S ATOM 0 H CYS A 45 14.366 3.212 -1.908 1.00 0.00 H new ATOM 0 HA CYS A 45 15.363 0.472 -1.177 1.00 0.00 H new ATOM 0 HB2 CYS A 45 15.755 1.441 0.936 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.718 2.816 0.611 1.00 0.00 H new ATOM 700 N LYS A 46 12.869 -0.238 -0.995 1.00 0.00 N ATOM 701 CA LYS A 46 11.517 -0.715 -1.416 1.00 0.00 C ATOM 702 C LYS A 46 10.420 -0.208 -0.472 1.00 0.00 C ATOM 703 O LYS A 46 10.688 0.448 0.512 1.00 0.00 O ATOM 704 CB LYS A 46 11.617 -2.240 -1.359 1.00 0.00 C ATOM 705 CG LYS A 46 11.873 -2.795 -2.760 1.00 0.00 C ATOM 706 CD LYS A 46 11.744 -4.319 -2.742 1.00 0.00 C ATOM 707 CE LYS A 46 12.177 -4.886 -4.096 1.00 0.00 C ATOM 708 NZ LYS A 46 11.136 -4.427 -5.057 1.00 0.00 N ATOM 0 H LYS A 46 13.378 -0.870 -0.377 1.00 0.00 H new ATOM 0 HA LYS A 46 11.247 -0.347 -2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.423 -2.536 -0.688 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.696 -2.659 -0.955 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.161 -2.368 -3.466 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.869 -2.509 -3.099 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.361 -4.737 -1.947 1.00 0.00 H new ATOM 0 HD3 LYS A 46 10.714 -4.605 -2.529 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.164 -4.521 -4.379 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.236 -5.974 -4.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.774 -5.242 -5.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.355 -3.980 -4.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 11.551 -3.738 -5.716 1.00 0.00 H new ATOM 722 N ILE A 47 9.180 -0.481 -0.796 1.00 0.00 N ATOM 723 CA ILE A 47 8.054 0.016 0.047 1.00 0.00 C ATOM 724 C ILE A 47 7.202 -1.129 0.612 1.00 0.00 C ATOM 725 O ILE A 47 6.745 -1.985 -0.119 1.00 0.00 O ATOM 726 CB ILE A 47 7.228 0.849 -0.921 1.00 0.00 C ATOM 727 CG1 ILE A 47 8.160 1.810 -1.655 1.00 0.00 C ATOM 728 CG2 ILE A 47 6.172 1.639 -0.147 1.00 0.00 C ATOM 729 CD1 ILE A 47 8.641 2.870 -0.673 1.00 0.00 C ATOM 0 H ILE A 47 8.901 -1.028 -1.610 1.00 0.00 H new ATOM 0 HA ILE A 47 8.412 0.570 0.915 1.00 0.00 H new ATOM 0 HB ILE A 47 6.726 0.200 -1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.009 1.268 -2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.639 2.278 -2.490 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.581 2.235 -0.843 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.518 0.948 0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.663 2.298 0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.308 3.564 -1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.784 3.415 -0.278 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.175 2.390 0.147 1.00 0.00 H new ATOM 741 N PRO A 48 6.998 -1.087 1.904 1.00 0.00 N ATOM 742 CA PRO A 48 6.170 -2.113 2.597 1.00 0.00 C ATOM 743 C PRO A 48 4.710 -2.040 2.140 1.00 0.00 C ATOM 744 O PRO A 48 4.181 -0.978 1.874 1.00 0.00 O ATOM 745 CB PRO A 48 6.268 -1.717 4.068 1.00 0.00 C ATOM 746 CG PRO A 48 7.466 -0.832 4.152 1.00 0.00 C ATOM 747 CD PRO A 48 7.518 -0.097 2.847 1.00 0.00 C ATOM 0 HA PRO A 48 6.510 -3.128 2.393 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.369 -1.196 4.397 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.380 -2.594 4.706 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.383 -0.139 4.989 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.373 -1.415 4.310 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.907 0.806 2.865 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.533 0.210 2.594 1.00 0.00 H new ATOM 755 N PHE A 49 4.054 -3.162 2.052 1.00 0.00 N ATOM 756 CA PHE A 49 2.633 -3.177 1.620 1.00 0.00 C ATOM 757 C PHE A 49 1.934 -4.431 2.154 1.00 0.00 C ATOM 758 O PHE A 49 2.571 -5.413 2.481 1.00 0.00 O ATOM 759 CB PHE A 49 2.717 -3.227 0.108 1.00 0.00 C ATOM 760 CG PHE A 49 1.452 -2.653 -0.495 1.00 0.00 C ATOM 761 CD1 PHE A 49 1.314 -1.266 -0.644 1.00 0.00 C ATOM 762 CD2 PHE A 49 0.415 -3.504 -0.900 1.00 0.00 C ATOM 763 CE1 PHE A 49 0.144 -0.734 -1.197 1.00 0.00 C ATOM 764 CE2 PHE A 49 -0.755 -2.969 -1.453 1.00 0.00 C ATOM 765 CZ PHE A 49 -0.890 -1.585 -1.601 1.00 0.00 C ATOM 0 H PHE A 49 4.448 -4.079 2.264 1.00 0.00 H new ATOM 0 HA PHE A 49 2.067 -2.320 1.985 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.584 -2.662 -0.236 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.855 -4.256 -0.224 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.111 -0.608 -0.332 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.518 -4.573 -0.786 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.039 0.335 -1.312 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.554 -3.626 -1.765 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.793 -1.173 -2.027 1.00 0.00 H new ATOM 775 N GLU A 50 0.631 -4.416 2.239 1.00 0.00 N ATOM 776 CA GLU A 50 -0.090 -5.620 2.744 1.00 0.00 C ATOM 777 C GLU A 50 -1.605 -5.419 2.644 1.00 0.00 C ATOM 778 O GLU A 50 -2.175 -4.575 3.309 1.00 0.00 O ATOM 779 CB GLU A 50 0.341 -5.757 4.205 1.00 0.00 C ATOM 780 CG GLU A 50 -0.594 -6.731 4.925 1.00 0.00 C ATOM 781 CD GLU A 50 0.113 -7.302 6.155 1.00 0.00 C ATOM 782 OE1 GLU A 50 0.972 -6.621 6.690 1.00 0.00 O ATOM 783 OE2 GLU A 50 -0.216 -8.412 6.540 1.00 0.00 O ATOM 0 H GLU A 50 0.037 -3.627 1.982 1.00 0.00 H new ATOM 0 HA GLU A 50 0.145 -6.513 2.164 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.369 -6.116 4.260 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.317 -4.784 4.695 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.509 -6.220 5.223 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.884 -7.538 4.252 1.00 0.00 H new ATOM 790 N ILE A 51 -2.262 -6.191 1.820 1.00 0.00 N ATOM 791 CA ILE A 51 -3.742 -6.046 1.682 1.00 0.00 C ATOM 792 C ILE A 51 -4.450 -7.230 2.347 1.00 0.00 C ATOM 793 O ILE A 51 -4.499 -8.318 1.809 1.00 0.00 O ATOM 794 CB ILE A 51 -4.012 -6.042 0.175 1.00 0.00 C ATOM 795 CG1 ILE A 51 -2.957 -5.192 -0.538 1.00 0.00 C ATOM 796 CG2 ILE A 51 -5.398 -5.449 -0.088 1.00 0.00 C ATOM 797 CD1 ILE A 51 -3.153 -5.298 -2.051 1.00 0.00 C ATOM 0 H ILE A 51 -1.840 -6.914 1.238 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.110 -5.139 2.161 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.968 -7.064 -0.202 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.039 -4.152 -0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.957 -5.530 -0.266 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.594 -5.444 -1.160 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.153 -6.052 0.417 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.435 -4.428 0.292 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.402 -4.693 -2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.050 -6.338 -2.359 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.148 -4.938 -2.315 1.00 0.00 H new ATOM 970 N GLY A 61 -4.419 -10.696 -1.979 1.00 0.00 N ATOM 971 CA GLY A 61 -4.353 -9.600 -2.987 1.00 0.00 C ATOM 972 C GLY A 61 -3.006 -9.650 -3.711 1.00 0.00 C ATOM 973 O GLY A 61 -2.116 -10.385 -3.335 1.00 0.00 O ATOM 0 HA2 GLY A 61 -5.167 -9.702 -3.705 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.479 -8.634 -2.498 1.00 0.00 H new ATOM 977 N ARG A 62 -2.850 -8.879 -4.755 1.00 0.00 N ATOM 978 CA ARG A 62 -1.559 -8.894 -5.503 1.00 0.00 C ATOM 979 C ARG A 62 -0.953 -7.497 -5.557 1.00 0.00 C ATOM 980 O ARG A 62 -1.616 -6.508 -5.315 1.00 0.00 O ATOM 981 CB ARG A 62 -1.922 -9.354 -6.913 1.00 0.00 C ATOM 982 CG ARG A 62 -1.004 -10.505 -7.322 1.00 0.00 C ATOM 983 CD ARG A 62 0.022 -10.003 -8.341 1.00 0.00 C ATOM 984 NE ARG A 62 0.459 -11.220 -9.078 1.00 0.00 N ATOM 985 CZ ARG A 62 -0.382 -11.860 -9.845 1.00 0.00 C ATOM 986 NH1 ARG A 62 -1.612 -11.436 -9.970 1.00 0.00 N ATOM 987 NH2 ARG A 62 0.006 -12.926 -10.490 1.00 0.00 N ATOM 0 H ARG A 62 -3.558 -8.242 -5.121 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.825 -9.545 -5.027 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.963 -9.675 -6.946 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.821 -8.526 -7.615 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.495 -10.907 -6.446 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.591 -11.317 -7.751 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.419 -9.269 -9.016 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.864 -9.517 -7.847 1.00 0.00 H new ATOM 0 HE ARG A 62 1.418 -11.555 -8.984 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -1.918 -10.603 -9.468 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -2.266 -11.938 -10.570 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.966 -13.259 -10.395 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -0.650 -13.427 -11.089 1.00 0.00 H new ATOM 1001 N LEU A 63 0.300 -7.411 -5.893 1.00 0.00 N ATOM 1002 CA LEU A 63 0.952 -6.085 -5.986 1.00 0.00 C ATOM 1003 C LEU A 63 1.676 -5.965 -7.325 1.00 0.00 C ATOM 1004 O LEU A 63 2.672 -6.616 -7.564 1.00 0.00 O ATOM 1005 CB LEU A 63 1.947 -6.037 -4.830 1.00 0.00 C ATOM 1006 CG LEU A 63 2.019 -4.615 -4.282 1.00 0.00 C ATOM 1007 CD1 LEU A 63 2.247 -3.643 -5.437 1.00 0.00 C ATOM 1008 CD2 LEU A 63 0.702 -4.274 -3.583 1.00 0.00 C ATOM 0 H LEU A 63 0.901 -8.207 -6.108 1.00 0.00 H new ATOM 0 HA LEU A 63 0.236 -5.265 -5.927 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.641 -6.727 -4.043 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.932 -6.358 -5.170 1.00 0.00 H new ATOM 0 HG LEU A 63 2.840 -4.537 -3.569 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.299 -2.625 -5.051 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.182 -3.889 -5.940 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.423 -3.720 -6.146 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.751 -3.258 -3.190 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.119 -4.348 -4.297 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.534 -4.972 -2.763 1.00 0.00 H new ATOM 1020 N ILE A 64 1.189 -5.131 -8.196 1.00 0.00 N ATOM 1021 CA ILE A 64 1.860 -4.965 -9.514 1.00 0.00 C ATOM 1022 C ILE A 64 3.195 -4.278 -9.287 1.00 0.00 C ATOM 1023 O ILE A 64 4.175 -4.522 -9.963 1.00 0.00 O ATOM 1024 CB ILE A 64 0.924 -4.067 -10.320 1.00 0.00 C ATOM 1025 CG1 ILE A 64 -0.511 -4.610 -10.250 1.00 0.00 C ATOM 1026 CG2 ILE A 64 1.384 -4.018 -11.774 1.00 0.00 C ATOM 1027 CD1 ILE A 64 -0.503 -6.142 -10.305 1.00 0.00 C ATOM 0 H ILE A 64 0.357 -4.558 -8.054 1.00 0.00 H new ATOM 0 HA ILE A 64 2.047 -5.907 -10.029 1.00 0.00 H new ATOM 0 HB ILE A 64 0.946 -3.061 -9.900 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.990 -4.275 -9.330 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.098 -4.213 -11.078 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.714 -3.376 -12.346 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.397 -3.619 -11.822 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.370 -5.024 -12.194 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.527 -6.513 -10.254 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.044 -6.470 -11.237 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.067 -6.533 -9.462 1.00 0.00 H new ATOM 1039 N THR A 65 3.222 -3.422 -8.316 1.00 0.00 N ATOM 1040 CA THR A 65 4.463 -2.690 -7.976 1.00 0.00 C ATOM 1041 C THR A 65 5.098 -3.365 -6.750 1.00 0.00 C ATOM 1042 O THR A 65 5.747 -2.744 -5.935 1.00 0.00 O ATOM 1043 CB THR A 65 3.951 -1.260 -7.716 1.00 0.00 C ATOM 1044 OG1 THR A 65 4.336 -0.423 -8.796 1.00 0.00 O ATOM 1045 CG2 THR A 65 4.500 -0.681 -6.415 1.00 0.00 C ATOM 0 H THR A 65 2.419 -3.193 -7.730 1.00 0.00 H new ATOM 0 HA THR A 65 5.244 -2.684 -8.736 1.00 0.00 H new ATOM 0 HB THR A 65 2.865 -1.306 -7.629 1.00 0.00 H new ATOM 0 HG1 THR A 65 4.011 0.488 -8.636 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.112 0.328 -6.274 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.192 -1.309 -5.579 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.588 -0.648 -6.462 1.00 0.00 H new ATOM 1053 N VAL A 66 4.897 -4.658 -6.650 1.00 0.00 N ATOM 1054 CA VAL A 66 5.444 -5.472 -5.510 1.00 0.00 C ATOM 1055 C VAL A 66 6.520 -4.718 -4.737 1.00 0.00 C ATOM 1056 O VAL A 66 7.616 -4.509 -5.217 1.00 0.00 O ATOM 1057 CB VAL A 66 6.047 -6.713 -6.159 1.00 0.00 C ATOM 1058 CG1 VAL A 66 6.907 -7.461 -5.136 1.00 0.00 C ATOM 1059 CG2 VAL A 66 4.926 -7.632 -6.649 1.00 0.00 C ATOM 0 H VAL A 66 4.362 -5.200 -7.329 1.00 0.00 H new ATOM 0 HA VAL A 66 4.660 -5.708 -4.791 1.00 0.00 H new ATOM 0 HB VAL A 66 6.666 -6.412 -7.004 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.337 -8.348 -5.601 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.708 -6.809 -4.788 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.289 -7.759 -4.290 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.359 -8.518 -7.113 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.305 -7.931 -5.804 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.315 -7.102 -7.380 1.00 0.00 H new ATOM 1069 N ASN A 67 6.215 -4.311 -3.541 1.00 0.00 N ATOM 1070 CA ASN A 67 7.223 -3.578 -2.740 1.00 0.00 C ATOM 1071 C ASN A 67 7.871 -2.486 -3.596 1.00 0.00 C ATOM 1072 O ASN A 67 9.031 -2.575 -3.947 1.00 0.00 O ATOM 1073 CB ASN A 67 8.243 -4.645 -2.343 1.00 0.00 C ATOM 1074 CG ASN A 67 8.967 -4.214 -1.068 1.00 0.00 C ATOM 1075 OD1 ASN A 67 8.709 -3.154 -0.536 1.00 0.00 O ATOM 1076 ND2 ASN A 67 9.872 -4.999 -0.549 1.00 0.00 N ATOM 0 H ASN A 67 5.314 -4.454 -3.086 1.00 0.00 H new ATOM 0 HA ASN A 67 6.798 -3.080 -1.869 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.742 -5.600 -2.183 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.962 -4.793 -3.149 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.361 -4.721 0.302 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.090 -5.890 -0.995 1.00 0.00 H new ATOM 1083 N PRO A 68 7.087 -1.488 -3.906 1.00 0.00 N ATOM 1084 CA PRO A 68 7.579 -0.363 -4.734 1.00 0.00 C ATOM 1085 C PRO A 68 8.895 0.155 -4.161 1.00 0.00 C ATOM 1086 O PRO A 68 9.413 -0.396 -3.214 1.00 0.00 O ATOM 1087 CB PRO A 68 6.479 0.697 -4.646 1.00 0.00 C ATOM 1088 CG PRO A 68 5.399 0.133 -3.767 1.00 0.00 C ATOM 1089 CD PRO A 68 5.692 -1.322 -3.514 1.00 0.00 C ATOM 0 HA PRO A 68 7.776 -0.647 -5.768 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.870 1.626 -4.230 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.088 0.931 -5.636 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.356 0.679 -2.825 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.426 0.245 -4.245 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.541 -1.581 -2.466 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.036 -1.966 -4.099 1.00 0.00 H new ATOM 1097 N ILE A 69 9.451 1.194 -4.729 1.00 0.00 N ATOM 1098 CA ILE A 69 10.750 1.702 -4.202 1.00 0.00 C ATOM 1099 C ILE A 69 10.825 3.232 -4.226 1.00 0.00 C ATOM 1100 O ILE A 69 10.367 3.876 -5.148 1.00 0.00 O ATOM 1101 CB ILE A 69 11.805 1.134 -5.153 1.00 0.00 C ATOM 1102 CG1 ILE A 69 11.840 -0.403 -5.022 1.00 0.00 C ATOM 1103 CG2 ILE A 69 13.176 1.753 -4.826 1.00 0.00 C ATOM 1104 CD1 ILE A 69 13.250 -0.899 -4.665 1.00 0.00 C ATOM 0 H ILE A 69 9.067 1.706 -5.524 1.00 0.00 H new ATOM 0 HA ILE A 69 10.889 1.402 -3.163 1.00 0.00 H new ATOM 0 HB ILE A 69 11.554 1.384 -6.184 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.135 -0.721 -4.254 1.00 0.00 H new ATOM 0 HG13 ILE A 69 11.518 -0.858 -5.959 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.929 1.349 -5.503 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.124 2.835 -4.945 1.00 0.00 H new ATOM 0 HG23 ILE A 69 13.447 1.514 -3.798 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.243 -1.986 -4.580 1.00 0.00 H new ATOM 0 HD12 ILE A 69 13.949 -0.601 -5.446 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.560 -0.463 -3.715 1.00 0.00 H new ATOM 1116 N VAL A 70 11.459 3.804 -3.238 1.00 0.00 N ATOM 1117 CA VAL A 70 11.638 5.288 -3.215 1.00 0.00 C ATOM 1118 C VAL A 70 13.061 5.593 -3.678 1.00 0.00 C ATOM 1119 O VAL A 70 13.888 4.707 -3.754 1.00 0.00 O ATOM 1120 CB VAL A 70 11.442 5.718 -1.757 1.00 0.00 C ATOM 1121 CG1 VAL A 70 11.407 7.243 -1.666 1.00 0.00 C ATOM 1122 CG2 VAL A 70 10.119 5.159 -1.246 1.00 0.00 C ATOM 0 H VAL A 70 11.862 3.308 -2.443 1.00 0.00 H new ATOM 0 HA VAL A 70 10.937 5.813 -3.864 1.00 0.00 H new ATOM 0 HB VAL A 70 12.267 5.339 -1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.267 7.542 -0.627 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.347 7.651 -2.038 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.582 7.625 -2.268 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.973 5.461 -0.209 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.301 5.545 -1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.135 4.071 -1.308 1.00 0.00 H new ATOM 1132 N THR A 71 13.366 6.817 -3.998 1.00 0.00 N ATOM 1133 CA THR A 71 14.749 7.119 -4.461 1.00 0.00 C ATOM 1134 C THR A 71 15.394 8.206 -3.601 1.00 0.00 C ATOM 1135 O THR A 71 16.593 8.403 -3.639 1.00 0.00 O ATOM 1136 CB THR A 71 14.596 7.600 -5.901 1.00 0.00 C ATOM 1137 OG1 THR A 71 13.684 6.754 -6.589 1.00 0.00 O ATOM 1138 CG2 THR A 71 15.959 7.557 -6.594 1.00 0.00 C ATOM 0 H THR A 71 12.729 7.613 -3.961 1.00 0.00 H new ATOM 0 HA THR A 71 15.394 6.244 -4.386 1.00 0.00 H new ATOM 0 HB THR A 71 14.215 8.621 -5.908 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.584 7.064 -7.513 1.00 0.00 H new ATOM 0 HG21 THR A 71 15.855 7.900 -7.623 1.00 0.00 H new ATOM 0 HG22 THR A 71 16.657 8.205 -6.064 1.00 0.00 H new ATOM 0 HG23 THR A 71 16.338 6.535 -6.589 1.00 0.00 H new ATOM 1146 N GLU A 72 14.622 8.921 -2.833 1.00 0.00 N ATOM 1147 CA GLU A 72 15.228 9.992 -1.993 1.00 0.00 C ATOM 1148 C GLU A 72 14.582 10.034 -0.608 1.00 0.00 C ATOM 1149 O GLU A 72 14.741 10.988 0.127 1.00 0.00 O ATOM 1150 CB GLU A 72 14.954 11.288 -2.754 1.00 0.00 C ATOM 1151 CG GLU A 72 15.554 11.190 -4.157 1.00 0.00 C ATOM 1152 CD GLU A 72 15.913 12.591 -4.659 1.00 0.00 C ATOM 1153 OE1 GLU A 72 15.339 13.544 -4.157 1.00 0.00 O ATOM 1154 OE2 GLU A 72 16.755 12.686 -5.536 1.00 0.00 O ATOM 0 H GLU A 72 13.611 8.814 -2.750 1.00 0.00 H new ATOM 0 HA GLU A 72 16.293 9.826 -1.828 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.880 11.465 -2.817 1.00 0.00 H new ATOM 0 HB3 GLU A 72 15.386 12.134 -2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.443 10.559 -4.140 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.843 10.720 -4.836 1.00 0.00 H new ATOM 1161 N LYS A 73 13.852 9.010 -0.248 1.00 0.00 N ATOM 1162 CA LYS A 73 13.187 8.981 1.093 1.00 0.00 C ATOM 1163 C LYS A 73 11.979 9.921 1.127 1.00 0.00 C ATOM 1164 O LYS A 73 11.205 9.909 2.061 1.00 0.00 O ATOM 1165 CB LYS A 73 14.254 9.436 2.094 1.00 0.00 C ATOM 1166 CG LYS A 73 13.896 8.932 3.492 1.00 0.00 C ATOM 1167 CD LYS A 73 14.350 9.958 4.533 1.00 0.00 C ATOM 1168 CE LYS A 73 13.127 10.668 5.117 1.00 0.00 C ATOM 1169 NZ LYS A 73 13.429 10.819 6.569 1.00 0.00 N ATOM 0 H LYS A 73 13.686 8.187 -0.827 1.00 0.00 H new ATOM 0 HA LYS A 73 12.811 7.985 1.329 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.231 9.054 1.798 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.325 10.524 2.096 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.821 8.771 3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.376 7.971 3.678 1.00 0.00 H new ATOM 0 HD2 LYS A 73 14.910 9.463 5.327 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.021 10.684 4.075 1.00 0.00 H new ATOM 0 HE2 LYS A 73 12.969 11.637 4.643 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.219 10.085 4.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 12.643 11.314 7.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.551 9.879 6.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.303 11.370 6.686 1.00 0.00 H new ATOM 1183 N ASP A 74 11.806 10.735 0.124 1.00 0.00 N ATOM 1184 CA ASP A 74 10.645 11.662 0.114 1.00 0.00 C ATOM 1185 C ASP A 74 9.993 11.671 -1.269 1.00 0.00 C ATOM 1186 O ASP A 74 9.017 12.357 -1.500 1.00 0.00 O ATOM 1187 CB ASP A 74 11.239 13.028 0.440 1.00 0.00 C ATOM 1188 CG ASP A 74 10.148 13.942 1.005 1.00 0.00 C ATOM 1189 OD1 ASP A 74 9.698 13.681 2.108 1.00 0.00 O ATOM 1190 OD2 ASP A 74 9.783 14.885 0.323 1.00 0.00 O ATOM 0 H ASP A 74 12.419 10.797 -0.689 1.00 0.00 H new ATOM 0 HA ASP A 74 9.871 11.373 0.825 1.00 0.00 H new ATOM 0 HB2 ASP A 74 12.048 12.921 1.163 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.670 13.472 -0.457 1.00 0.00 H new ATOM 1195 N SER A 75 10.515 10.906 -2.189 1.00 0.00 N ATOM 1196 CA SER A 75 9.911 10.866 -3.546 1.00 0.00 C ATOM 1197 C SER A 75 8.589 10.103 -3.475 1.00 0.00 C ATOM 1198 O SER A 75 8.579 8.901 -3.293 1.00 0.00 O ATOM 1199 CB SER A 75 10.925 10.115 -4.410 1.00 0.00 C ATOM 1200 OG SER A 75 10.524 10.184 -5.772 1.00 0.00 O ATOM 0 H SER A 75 11.332 10.309 -2.058 1.00 0.00 H new ATOM 0 HA SER A 75 9.701 11.856 -3.952 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.917 10.550 -4.288 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.992 9.075 -4.091 1.00 0.00 H new ATOM 0 HG SER A 75 11.173 9.705 -6.329 1.00 0.00 H new ATOM 1206 N PRO A 76 7.510 10.827 -3.597 1.00 0.00 N ATOM 1207 CA PRO A 76 6.178 10.201 -3.517 1.00 0.00 C ATOM 1208 C PRO A 76 6.148 8.917 -4.353 1.00 0.00 C ATOM 1209 O PRO A 76 6.561 8.904 -5.496 1.00 0.00 O ATOM 1210 CB PRO A 76 5.223 11.253 -4.087 1.00 0.00 C ATOM 1211 CG PRO A 76 6.058 12.457 -4.423 1.00 0.00 C ATOM 1212 CD PRO A 76 7.426 12.267 -3.824 1.00 0.00 C ATOM 0 HA PRO A 76 5.906 9.915 -2.501 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.715 10.875 -4.974 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.450 11.508 -3.362 1.00 0.00 H new ATOM 0 HG2 PRO A 76 6.131 12.579 -5.504 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.594 13.362 -4.031 1.00 0.00 H new ATOM 0 HD2 PRO A 76 8.210 12.612 -4.499 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.537 12.826 -2.895 1.00 0.00 H new ATOM 1220 N VAL A 77 5.675 7.834 -3.795 1.00 0.00 N ATOM 1221 CA VAL A 77 5.640 6.557 -4.570 1.00 0.00 C ATOM 1222 C VAL A 77 4.199 6.088 -4.809 1.00 0.00 C ATOM 1223 O VAL A 77 3.331 6.256 -3.977 1.00 0.00 O ATOM 1224 CB VAL A 77 6.387 5.551 -3.711 1.00 0.00 C ATOM 1225 CG1 VAL A 77 6.384 4.203 -4.425 1.00 0.00 C ATOM 1226 CG2 VAL A 77 7.827 6.023 -3.529 1.00 0.00 C ATOM 0 H VAL A 77 5.314 7.777 -2.843 1.00 0.00 H new ATOM 0 HA VAL A 77 6.090 6.677 -5.555 1.00 0.00 H new ATOM 0 HB VAL A 77 5.908 5.457 -2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.917 3.470 -3.820 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.356 3.872 -4.574 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.877 4.302 -5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.370 5.306 -2.913 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.309 6.103 -4.503 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.832 6.997 -3.040 1.00 0.00 H new ATOM 1236 N ASN A 78 3.950 5.491 -5.946 1.00 0.00 N ATOM 1237 CA ASN A 78 2.579 4.993 -6.259 1.00 0.00 C ATOM 1238 C ASN A 78 2.552 3.463 -6.158 1.00 0.00 C ATOM 1239 O ASN A 78 3.425 2.803 -6.684 1.00 0.00 O ATOM 1240 CB ASN A 78 2.334 5.418 -7.704 1.00 0.00 C ATOM 1241 CG ASN A 78 2.653 6.906 -7.867 1.00 0.00 C ATOM 1242 OD1 ASN A 78 3.135 7.542 -6.950 1.00 0.00 O ATOM 1243 ND2 ASN A 78 2.401 7.492 -9.004 1.00 0.00 N ATOM 0 H ASN A 78 4.643 5.326 -6.676 1.00 0.00 H new ATOM 0 HA ASN A 78 1.825 5.385 -5.576 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.956 4.827 -8.377 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.297 5.227 -7.978 1.00 0.00 H new ATOM 0 HD21 ASN A 78 2.608 8.484 -9.124 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.997 6.959 -9.774 1.00 0.00 H new ATOM 1250 N ILE A 79 1.579 2.869 -5.504 1.00 0.00 N ATOM 1251 CA ILE A 79 1.598 1.379 -5.438 1.00 0.00 C ATOM 1252 C ILE A 79 0.363 0.776 -6.108 1.00 0.00 C ATOM 1253 O ILE A 79 -0.760 1.000 -5.702 1.00 0.00 O ATOM 1254 CB ILE A 79 1.641 1.022 -3.958 1.00 0.00 C ATOM 1255 CG1 ILE A 79 2.782 1.801 -3.281 1.00 0.00 C ATOM 1256 CG2 ILE A 79 1.886 -0.484 -3.834 1.00 0.00 C ATOM 1257 CD1 ILE A 79 3.183 1.118 -1.971 1.00 0.00 C ATOM 0 H ILE A 79 0.803 3.333 -5.032 1.00 0.00 H new ATOM 0 HA ILE A 79 2.460 0.976 -5.970 1.00 0.00 H new ATOM 0 HB ILE A 79 0.701 1.284 -3.473 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.641 1.856 -3.949 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.466 2.825 -3.084 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.920 -0.761 -2.780 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.078 -1.026 -4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.834 -0.739 -4.307 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.991 1.678 -1.501 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.325 1.087 -1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.519 0.102 -2.178 1.00 0.00 H new ATOM 1269 N GLU A 80 0.584 -0.003 -7.130 1.00 0.00 N ATOM 1270 CA GLU A 80 -0.540 -0.655 -7.854 1.00 0.00 C ATOM 1271 C GLU A 80 -0.765 -2.061 -7.290 1.00 0.00 C ATOM 1272 O GLU A 80 0.044 -2.948 -7.478 1.00 0.00 O ATOM 1273 CB GLU A 80 -0.071 -0.727 -9.308 1.00 0.00 C ATOM 1274 CG GLU A 80 -1.076 -1.538 -10.127 1.00 0.00 C ATOM 1275 CD GLU A 80 -1.801 -0.617 -11.111 1.00 0.00 C ATOM 1276 OE1 GLU A 80 -1.372 0.515 -11.260 1.00 0.00 O ATOM 1277 OE2 GLU A 80 -2.770 -1.063 -11.702 1.00 0.00 O ATOM 0 H GLU A 80 1.510 -0.218 -7.499 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.481 -0.114 -7.756 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.025 0.277 -9.721 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.915 -1.189 -9.361 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.562 -2.332 -10.668 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.796 -2.018 -9.465 1.00 0.00 H new ATOM 1284 N ALA A 81 -1.847 -2.274 -6.593 1.00 0.00 N ATOM 1285 CA ALA A 81 -2.095 -3.627 -6.017 1.00 0.00 C ATOM 1286 C ALA A 81 -3.377 -4.234 -6.590 1.00 0.00 C ATOM 1287 O ALA A 81 -4.322 -3.537 -6.904 1.00 0.00 O ATOM 1288 CB ALA A 81 -2.215 -3.402 -4.507 1.00 0.00 C ATOM 0 H ALA A 81 -2.565 -1.576 -6.398 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.295 -4.328 -6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.399 -4.355 -4.011 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.289 -2.969 -4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.043 -2.722 -4.305 1.00 0.00 H new ATOM 1294 N GLU A 82 -3.409 -5.532 -6.736 1.00 0.00 N ATOM 1295 CA GLU A 82 -4.621 -6.194 -7.300 1.00 0.00 C ATOM 1296 C GLU A 82 -5.326 -7.049 -6.239 1.00 0.00 C ATOM 1297 O GLU A 82 -5.496 -8.238 -6.421 1.00 0.00 O ATOM 1298 CB GLU A 82 -4.083 -7.085 -8.419 1.00 0.00 C ATOM 1299 CG GLU A 82 -5.250 -7.636 -9.242 1.00 0.00 C ATOM 1300 CD GLU A 82 -4.952 -9.080 -9.648 1.00 0.00 C ATOM 1301 OE1 GLU A 82 -3.863 -9.324 -10.138 1.00 0.00 O ATOM 1302 OE2 GLU A 82 -5.820 -9.918 -9.463 1.00 0.00 O ATOM 0 H GLU A 82 -2.647 -6.163 -6.489 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.355 -5.469 -7.651 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.410 -6.515 -9.060 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.503 -7.906 -7.997 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -6.171 -7.593 -8.660 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.405 -7.022 -10.129 1.00 0.00 H new ATOM 1309 N PRO A 83 -5.720 -6.416 -5.167 1.00 0.00 N ATOM 1310 CA PRO A 83 -6.421 -7.139 -4.075 1.00 0.00 C ATOM 1311 C PRO A 83 -7.822 -7.566 -4.523 1.00 0.00 C ATOM 1312 O PRO A 83 -8.354 -7.049 -5.485 1.00 0.00 O ATOM 1313 CB PRO A 83 -6.507 -6.106 -2.956 1.00 0.00 C ATOM 1314 CG PRO A 83 -6.396 -4.783 -3.640 1.00 0.00 C ATOM 1315 CD PRO A 83 -5.552 -4.991 -4.868 1.00 0.00 C ATOM 0 HA PRO A 83 -5.907 -8.051 -3.772 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -7.448 -6.191 -2.412 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.706 -6.243 -2.230 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -7.382 -4.405 -3.910 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.941 -4.045 -2.980 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -5.888 -4.366 -5.695 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -4.507 -4.741 -4.683 1.00 0.00 H new ATOM 1323 N PRO A 84 -8.371 -8.503 -3.799 1.00 0.00 N ATOM 1324 CA PRO A 84 -9.730 -9.017 -4.111 1.00 0.00 C ATOM 1325 C PRO A 84 -10.760 -7.884 -4.058 1.00 0.00 C ATOM 1326 O PRO A 84 -10.474 -6.754 -4.401 1.00 0.00 O ATOM 1327 CB PRO A 84 -10.004 -10.045 -3.013 1.00 0.00 C ATOM 1328 CG PRO A 84 -8.671 -10.356 -2.403 1.00 0.00 C ATOM 1329 CD PRO A 84 -7.781 -9.164 -2.634 1.00 0.00 C ATOM 0 HA PRO A 84 -9.795 -9.446 -5.111 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.692 -9.647 -2.267 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.465 -10.943 -3.424 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.774 -10.557 -1.337 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.241 -11.250 -2.855 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -7.764 -8.504 -1.767 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.751 -9.466 -2.825 1.00 0.00 H new ATOM 1387 N TYR A 89 -8.661 -3.327 3.728 1.00 0.00 N ATOM 1388 CA TYR A 89 -7.818 -2.142 4.051 1.00 0.00 C ATOM 1389 C TYR A 89 -6.385 -2.376 3.566 1.00 0.00 C ATOM 1390 O TYR A 89 -5.667 -3.200 4.100 1.00 0.00 O ATOM 1391 CB TYR A 89 -7.852 -2.026 5.576 1.00 0.00 C ATOM 1392 CG TYR A 89 -9.280 -1.881 6.043 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -9.869 -0.612 6.113 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -10.017 -3.014 6.409 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -11.192 -0.477 6.549 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -11.340 -2.878 6.845 1.00 0.00 C ATOM 1397 CZ TYR A 89 -11.928 -1.610 6.914 1.00 0.00 C ATOM 1398 OH TYR A 89 -13.233 -1.476 7.344 1.00 0.00 O ATOM 0 HA TYR A 89 -8.180 -1.234 3.569 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.399 -2.909 6.028 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.265 -1.166 5.898 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.302 0.263 5.830 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.564 -3.993 6.355 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -11.645 0.502 6.604 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -11.907 -3.752 7.128 1.00 0.00 H new ATOM 0 HH TYR A 89 -13.600 -2.360 7.557 1.00 0.00 H new ATOM 1408 N ILE A 90 -5.960 -1.659 2.563 1.00 0.00 N ATOM 1409 CA ILE A 90 -4.572 -1.843 2.055 1.00 0.00 C ATOM 1410 C ILE A 90 -3.582 -1.225 3.042 1.00 0.00 C ATOM 1411 O ILE A 90 -3.779 -0.129 3.525 1.00 0.00 O ATOM 1412 CB ILE A 90 -4.536 -1.104 0.717 1.00 0.00 C ATOM 1413 CG1 ILE A 90 -5.511 -1.769 -0.258 1.00 0.00 C ATOM 1414 CG2 ILE A 90 -3.120 -1.162 0.138 1.00 0.00 C ATOM 1415 CD1 ILE A 90 -5.741 -0.850 -1.458 1.00 0.00 C ATOM 0 H ILE A 90 -6.513 -0.955 2.074 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.301 -2.893 1.939 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.824 -0.064 0.869 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -5.111 -2.727 -0.592 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.457 -1.975 0.242 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.095 -0.635 -0.816 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.424 -0.690 0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.832 -2.202 -0.014 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.435 -1.324 -2.152 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.159 0.097 -1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.793 -0.666 -1.963 1.00 0.00 H new ATOM 1427 N ILE A 91 -2.526 -1.923 3.361 1.00 0.00 N ATOM 1428 CA ILE A 91 -1.545 -1.369 4.335 1.00 0.00 C ATOM 1429 C ILE A 91 -0.266 -0.919 3.628 1.00 0.00 C ATOM 1430 O ILE A 91 0.169 -1.514 2.661 1.00 0.00 O ATOM 1431 CB ILE A 91 -1.247 -2.519 5.293 1.00 0.00 C ATOM 1432 CG1 ILE A 91 -2.517 -2.877 6.068 1.00 0.00 C ATOM 1433 CG2 ILE A 91 -0.155 -2.092 6.274 1.00 0.00 C ATOM 1434 CD1 ILE A 91 -2.401 -4.305 6.607 1.00 0.00 C ATOM 0 H ILE A 91 -2.302 -2.847 2.992 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.938 -0.493 4.850 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.909 -3.387 4.727 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.663 -2.177 6.891 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.388 -2.792 5.419 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.059 -2.912 6.959 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.749 -1.834 5.722 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.494 -1.225 6.841 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.306 -4.560 7.159 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.276 -4.999 5.776 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.539 -4.374 7.271 1.00 0.00 H new ATOM 1446 N ILE A 92 0.339 0.126 4.118 1.00 0.00 N ATOM 1447 CA ILE A 92 1.596 0.635 3.502 1.00 0.00 C ATOM 1448 C ILE A 92 2.625 0.894 4.605 1.00 0.00 C ATOM 1449 O ILE A 92 2.293 1.392 5.659 1.00 0.00 O ATOM 1450 CB ILE A 92 1.180 1.941 2.810 1.00 0.00 C ATOM 1451 CG1 ILE A 92 0.830 1.651 1.352 1.00 0.00 C ATOM 1452 CG2 ILE A 92 2.320 2.966 2.861 1.00 0.00 C ATOM 1453 CD1 ILE A 92 0.238 2.908 0.715 1.00 0.00 C ATOM 0 H ILE A 92 0.013 0.655 4.927 1.00 0.00 H new ATOM 0 HA ILE A 92 2.051 -0.062 2.799 1.00 0.00 H new ATOM 0 HB ILE A 92 0.314 2.352 3.329 1.00 0.00 H new ATOM 0 HG12 ILE A 92 1.721 1.338 0.807 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.116 0.829 1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.006 3.885 2.365 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.570 3.181 3.900 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.196 2.562 2.354 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -0.013 2.705 -0.326 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.663 3.200 1.255 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.967 3.717 0.761 1.00 0.00 H new ATOM 1465 N GLY A 93 3.866 0.561 4.390 1.00 0.00 N ATOM 1466 CA GLY A 93 4.866 0.804 5.455 1.00 0.00 C ATOM 1467 C GLY A 93 4.818 -0.354 6.445 1.00 0.00 C ATOM 1468 O GLY A 93 4.348 -1.431 6.134 1.00 0.00 O ATOM 0 H GLY A 93 4.224 0.137 3.534 1.00 0.00 H new ATOM 0 HA2 GLY A 93 5.863 0.891 5.024 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.655 1.745 5.964 1.00 0.00 H new ATOM 1472 N VAL A 94 5.300 -0.150 7.628 1.00 0.00 N ATOM 1473 CA VAL A 94 5.285 -1.251 8.626 1.00 0.00 C ATOM 1474 C VAL A 94 4.556 -0.807 9.888 1.00 0.00 C ATOM 1475 O VAL A 94 4.555 0.359 10.226 1.00 0.00 O ATOM 1476 CB VAL A 94 6.758 -1.553 8.923 1.00 0.00 C ATOM 1477 CG1 VAL A 94 7.216 -2.687 8.005 1.00 0.00 C ATOM 1478 CG2 VAL A 94 7.620 -0.310 8.659 1.00 0.00 C ATOM 0 H VAL A 94 5.704 0.729 7.952 1.00 0.00 H new ATOM 0 HA VAL A 94 4.764 -2.134 8.255 1.00 0.00 H new ATOM 0 HB VAL A 94 6.866 -1.840 9.969 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.263 -2.915 8.203 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.610 -3.574 8.192 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.102 -2.382 6.965 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.664 -0.539 8.874 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.521 -0.014 7.615 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.288 0.506 9.301 1.00 0.00 H new ATOM 1488 N GLU A 95 3.936 -1.743 10.573 1.00 0.00 N ATOM 1489 CA GLU A 95 3.182 -1.433 11.832 1.00 0.00 C ATOM 1490 C GLU A 95 3.612 -0.090 12.431 1.00 0.00 C ATOM 1491 O GLU A 95 2.794 0.787 12.613 1.00 0.00 O ATOM 1492 CB GLU A 95 3.533 -2.574 12.788 1.00 0.00 C ATOM 1493 CG GLU A 95 2.458 -3.660 12.701 1.00 0.00 C ATOM 1494 CD GLU A 95 3.041 -4.916 12.048 1.00 0.00 C ATOM 1495 OE1 GLU A 95 4.237 -4.938 11.812 1.00 0.00 O ATOM 1496 OE2 GLU A 95 2.279 -5.835 11.796 1.00 0.00 O ATOM 0 H GLU A 95 3.921 -2.727 10.306 1.00 0.00 H new ATOM 0 HA GLU A 95 2.111 -1.352 11.645 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.507 -2.990 12.532 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.604 -2.199 13.809 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.086 -3.897 13.698 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.609 -3.298 12.121 1.00 0.00 H new ATOM 1503 N PRO A 96 4.886 0.022 12.711 1.00 0.00 N ATOM 1504 CA PRO A 96 5.445 1.277 13.287 1.00 0.00 C ATOM 1505 C PRO A 96 5.078 2.512 12.442 1.00 0.00 C ATOM 1506 O PRO A 96 5.924 3.107 11.806 1.00 0.00 O ATOM 1507 CB PRO A 96 6.962 1.047 13.265 1.00 0.00 C ATOM 1508 CG PRO A 96 7.178 -0.175 12.429 1.00 0.00 C ATOM 1509 CD PRO A 96 5.928 -0.995 12.542 1.00 0.00 C ATOM 0 HA PRO A 96 5.051 1.477 14.283 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.482 1.907 12.842 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.350 0.904 14.273 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.372 0.095 11.391 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.044 -0.737 12.780 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.760 -1.602 11.652 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.968 -1.678 13.390 1.00 0.00 H new ATOM 1517 N GLY A 97 3.834 2.917 12.453 1.00 0.00 N ATOM 1518 CA GLY A 97 3.433 4.129 11.677 1.00 0.00 C ATOM 1519 C GLY A 97 2.990 3.751 10.258 1.00 0.00 C ATOM 1520 O GLY A 97 2.712 4.606 9.442 1.00 0.00 O ATOM 0 H GLY A 97 3.079 2.461 12.965 1.00 0.00 H new ATOM 0 HA2 GLY A 97 2.620 4.642 12.191 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.269 4.826 11.627 1.00 0.00 H new ATOM 1524 N GLN A 98 2.919 2.486 9.955 1.00 0.00 N ATOM 1525 CA GLN A 98 2.491 2.072 8.586 1.00 0.00 C ATOM 1526 C GLN A 98 1.170 2.768 8.209 1.00 0.00 C ATOM 1527 O GLN A 98 0.443 3.242 9.060 1.00 0.00 O ATOM 1528 CB GLN A 98 2.345 0.540 8.690 1.00 0.00 C ATOM 1529 CG GLN A 98 0.939 0.069 8.290 1.00 0.00 C ATOM 1530 CD GLN A 98 0.708 -1.345 8.827 1.00 0.00 C ATOM 1531 OE1 GLN A 98 -0.264 -1.596 9.511 1.00 0.00 O ATOM 1532 NE2 GLN A 98 1.567 -2.286 8.544 1.00 0.00 N ATOM 0 H GLN A 98 3.138 1.721 10.593 1.00 0.00 H new ATOM 0 HA GLN A 98 3.196 2.351 7.803 1.00 0.00 H new ATOM 0 HB2 GLN A 98 3.084 0.061 8.048 1.00 0.00 H new ATOM 0 HB3 GLN A 98 2.557 0.224 9.711 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.187 0.750 8.690 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.834 0.080 7.205 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.383 -2.076 7.970 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.422 -3.232 8.897 1.00 0.00 H new ATOM 1541 N LEU A 99 0.857 2.828 6.939 1.00 0.00 N ATOM 1542 CA LEU A 99 -0.411 3.489 6.508 1.00 0.00 C ATOM 1543 C LEU A 99 -1.508 2.443 6.285 1.00 0.00 C ATOM 1544 O LEU A 99 -1.283 1.256 6.409 1.00 0.00 O ATOM 1545 CB LEU A 99 -0.065 4.181 5.189 1.00 0.00 C ATOM 1546 CG LEU A 99 0.295 5.643 5.455 1.00 0.00 C ATOM 1547 CD1 LEU A 99 0.827 6.275 4.168 1.00 0.00 C ATOM 1548 CD2 LEU A 99 -0.952 6.401 5.915 1.00 0.00 C ATOM 0 H LEU A 99 1.425 2.447 6.182 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.784 4.188 7.256 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.770 3.672 4.708 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.911 4.123 4.504 1.00 0.00 H new ATOM 0 HG LEU A 99 1.058 5.695 6.232 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.085 7.318 4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.714 5.735 3.837 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.062 6.223 3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.695 7.443 6.105 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.715 6.351 5.139 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.335 5.950 6.830 1.00 0.00 H new ATOM 1560 N LYS A 100 -2.697 2.878 5.953 1.00 0.00 N ATOM 1561 CA LYS A 100 -3.810 1.910 5.721 1.00 0.00 C ATOM 1562 C LYS A 100 -4.912 2.554 4.870 1.00 0.00 C ATOM 1563 O LYS A 100 -5.234 3.715 5.030 1.00 0.00 O ATOM 1564 CB LYS A 100 -4.337 1.575 7.112 1.00 0.00 C ATOM 1565 CG LYS A 100 -4.188 0.075 7.369 1.00 0.00 C ATOM 1566 CD LYS A 100 -3.546 -0.147 8.739 1.00 0.00 C ATOM 1567 CE LYS A 100 -3.942 -1.526 9.273 1.00 0.00 C ATOM 1568 NZ LYS A 100 -2.683 -2.101 9.823 1.00 0.00 N ATOM 0 H LYS A 100 -2.944 3.860 5.833 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.476 1.022 5.184 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.788 2.140 7.866 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.384 1.866 7.195 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.163 -0.410 7.330 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.575 -0.379 6.590 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.461 -0.074 8.660 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.868 0.629 9.433 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -4.709 -1.446 10.043 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.350 -2.154 8.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -2.729 -3.139 9.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.874 -1.769 9.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.565 -1.797 10.811 1.00 0.00 H new ATOM 1582 N LEU A 101 -5.495 1.807 3.971 1.00 0.00 N ATOM 1583 CA LEU A 101 -6.579 2.373 3.113 1.00 0.00 C ATOM 1584 C LEU A 101 -7.685 1.333 2.901 1.00 0.00 C ATOM 1585 O LEU A 101 -7.447 0.258 2.388 1.00 0.00 O ATOM 1586 CB LEU A 101 -5.900 2.708 1.783 1.00 0.00 C ATOM 1587 CG LEU A 101 -4.666 3.575 2.039 1.00 0.00 C ATOM 1588 CD1 LEU A 101 -3.411 2.703 1.993 1.00 0.00 C ATOM 1589 CD2 LEU A 101 -4.573 4.658 0.962 1.00 0.00 C ATOM 0 H LEU A 101 -5.268 0.829 3.793 1.00 0.00 H new ATOM 0 HA LEU A 101 -7.046 3.248 3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.612 1.791 1.269 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.597 3.234 1.130 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.748 4.042 3.020 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.532 3.321 2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.477 1.930 2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.329 2.235 1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.694 5.277 1.143 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -4.491 4.190 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.467 5.280 0.993 1.00 0.00 H new ATOM 1601 N ASN A 102 -8.890 1.644 3.296 1.00 0.00 N ATOM 1602 CA ASN A 102 -10.011 0.672 3.123 1.00 0.00 C ATOM 1603 C ASN A 102 -10.407 0.559 1.647 1.00 0.00 C ATOM 1604 O ASN A 102 -10.607 1.553 0.979 1.00 0.00 O ATOM 1605 CB ASN A 102 -11.166 1.256 3.939 1.00 0.00 C ATOM 1606 CG ASN A 102 -12.426 0.418 3.713 1.00 0.00 C ATOM 1607 OD1 ASN A 102 -13.198 0.684 2.695 1.00 0.00 O flip ATOM 1608 ND2 ASN A 102 -12.711 -0.487 4.472 1.00 0.00 N flip ATOM 0 H ASN A 102 -9.148 2.530 3.731 1.00 0.00 H new ATOM 0 HA ASN A 102 -9.736 -0.330 3.451 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -10.908 1.266 4.998 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -11.347 2.290 3.645 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.107 -0.695 5.268 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -13.554 -1.039 4.314 1.00 0.00 H new ATOM 1615 N TRP A 103 -10.530 -0.639 1.124 1.00 0.00 N ATOM 1616 CA TRP A 103 -10.921 -0.764 -0.310 1.00 0.00 C ATOM 1617 C TRP A 103 -11.888 -1.936 -0.521 1.00 0.00 C ATOM 1618 O TRP A 103 -12.744 -2.199 0.302 1.00 0.00 O ATOM 1619 CB TRP A 103 -9.613 -0.990 -1.070 1.00 0.00 C ATOM 1620 CG TRP A 103 -9.735 -0.407 -2.444 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -9.640 -1.110 -3.597 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -9.975 0.978 -2.830 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -9.806 -0.245 -4.664 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -10.014 1.052 -4.242 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -10.160 2.165 -2.098 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -10.231 2.260 -4.906 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -10.377 3.384 -2.764 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -10.412 3.431 -4.165 1.00 0.00 C ATOM 0 H TRP A 103 -10.379 -1.518 1.620 1.00 0.00 H new ATOM 0 HA TRP A 103 -11.444 0.125 -0.661 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.784 -0.525 -0.537 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -9.394 -2.056 -1.132 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -9.463 -2.173 -3.672 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -9.778 -0.531 -5.643 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -10.135 2.140 -1.019 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -10.259 2.290 -5.985 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -10.518 4.290 -2.193 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -10.579 4.371 -4.671 1.00 0.00 H new