USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 579 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 27 ASN : amide:sc= 0.778 K(o=2,f=-4.7!) USER MOD Set 1.2: A 29 THR OG1 : rot -91:sc= 1.22 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.652 USER MOD Single : A 19 MET CE :methyl -171:sc= 0 (180deg=-0.111) USER MOD Single : A 20 MET CE :methyl -134:sc= -4.15 (180deg=-11!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -44:sc= 0.738 USER MOD Single : A 31 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0918) USER MOD Single : A 33 THR OG1 : rot -23:sc= -1.98! USER MOD Single : A 37 THR OG1 : rot -87:sc= 1.08 USER MOD Single : A 38 SER OG : rot -92:sc= 1.25 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 43 SER OG : rot 18:sc= 0.512 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=-0.093) USER MOD Single : A 48 ASN : amide:sc= -0.237 K(o=-0.24,f=-1.2) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.772 K(o=-0.77,f=-0.11) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0375 USER MOD Single : A 64 MET CE :methyl 142:sc= -1.91 (180deg=-3.8!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -130:sc= 1.08 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 85:sc= 1.13 USER MOD Single : A 81 GLN : amide:sc= -0.861! K(o=-0.86!,f=-0.077) USER MOD Single : A 84 CYS SG : rot -119:sc= -1.34 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 233 N LYS A 16 -1.166 13.892 -0.071 1.00 0.00 N ATOM 234 CA LYS A 16 -0.361 13.558 -1.215 1.00 0.00 C ATOM 235 C LYS A 16 -0.795 12.231 -1.809 1.00 0.00 C ATOM 236 O LYS A 16 -1.023 11.260 -1.077 1.00 0.00 O ATOM 237 CB LYS A 16 1.142 13.559 -0.854 1.00 0.00 C ATOM 238 CG LYS A 16 2.077 13.097 -1.977 1.00 0.00 C ATOM 239 CD LYS A 16 1.962 13.953 -3.234 1.00 0.00 C ATOM 240 CE LYS A 16 2.780 13.348 -4.363 1.00 0.00 C ATOM 241 NZ LYS A 16 2.637 14.091 -5.630 1.00 0.00 N ATOM 0 HA LYS A 16 -0.512 14.324 -1.976 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.428 14.567 -0.555 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.293 12.915 0.012 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.106 13.122 -1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.852 12.060 -2.227 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.917 14.031 -3.535 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.310 14.965 -3.026 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.831 13.328 -4.075 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.472 12.314 -4.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.215 13.637 -6.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.639 14.089 -5.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.956 15.072 -5.495 1.00 0.00 H new ATOM 255 N THR A 17 -0.924 12.211 -3.109 1.00 0.00 N ATOM 256 CA THR A 17 -1.245 11.019 -3.834 1.00 0.00 C ATOM 257 C THR A 17 0.063 10.255 -4.121 1.00 0.00 C ATOM 258 O THR A 17 0.916 10.714 -4.889 1.00 0.00 O ATOM 259 CB THR A 17 -1.943 11.381 -5.149 1.00 0.00 C ATOM 260 OG1 THR A 17 -2.930 12.402 -4.887 1.00 0.00 O ATOM 261 CG2 THR A 17 -2.637 10.161 -5.725 1.00 0.00 C ATOM 0 H THR A 17 -0.807 13.035 -3.698 1.00 0.00 H new ATOM 0 HA THR A 17 -1.918 10.394 -3.247 1.00 0.00 H new ATOM 0 HB THR A 17 -1.202 11.741 -5.863 1.00 0.00 H new ATOM 0 HG1 THR A 17 -3.382 12.642 -5.723 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.130 10.430 -6.659 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.901 9.379 -5.915 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.379 9.796 -5.015 1.00 0.00 H new ATOM 269 N LEU A 18 0.221 9.125 -3.491 1.00 0.00 N ATOM 270 CA LEU A 18 1.447 8.348 -3.557 1.00 0.00 C ATOM 271 C LEU A 18 1.057 6.845 -3.826 1.00 0.00 C ATOM 272 O LEU A 18 0.313 6.215 -3.067 1.00 0.00 O ATOM 273 CB LEU A 18 2.233 8.649 -2.205 1.00 0.00 C ATOM 274 CG LEU A 18 3.608 8.072 -1.884 1.00 0.00 C ATOM 275 CD1 LEU A 18 4.610 8.243 -2.970 1.00 0.00 C ATOM 276 CD2 LEU A 18 4.140 8.715 -0.632 1.00 0.00 C ATOM 0 H LEU A 18 -0.502 8.704 -2.907 1.00 0.00 H new ATOM 0 HA LEU A 18 2.121 8.607 -4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.333 9.733 -2.143 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.574 8.343 -1.392 1.00 0.00 H new ATOM 0 HG LEU A 18 3.461 6.999 -1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.559 7.806 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.257 7.744 -3.873 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.749 9.305 -3.173 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.123 8.304 -0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.223 9.791 -0.783 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.460 8.516 0.196 1.00 0.00 H new ATOM 288 N MET A 19 1.467 6.335 -4.964 1.00 0.00 N ATOM 289 CA MET A 19 1.120 4.971 -5.405 1.00 0.00 C ATOM 290 C MET A 19 2.046 3.901 -4.812 1.00 0.00 C ATOM 291 O MET A 19 3.129 3.693 -5.302 1.00 0.00 O ATOM 292 CB MET A 19 1.132 4.911 -6.959 1.00 0.00 C ATOM 293 CG MET A 19 2.404 5.493 -7.604 1.00 0.00 C ATOM 294 SD MET A 19 2.395 5.483 -9.415 1.00 0.00 S ATOM 295 CE MET A 19 2.462 3.725 -9.763 1.00 0.00 C ATOM 0 H MET A 19 2.054 6.843 -5.625 1.00 0.00 H new ATOM 0 HA MET A 19 0.120 4.748 -5.034 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.022 3.873 -7.272 1.00 0.00 H new ATOM 0 HB3 MET A 19 0.265 5.452 -7.339 1.00 0.00 H new ATOM 0 HG2 MET A 19 2.535 6.519 -7.259 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.267 4.926 -7.254 1.00 0.00 H new ATOM 0 HE1 MET A 19 2.623 3.571 -10.830 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.282 3.274 -9.203 1.00 0.00 H new ATOM 0 HE3 MET A 19 1.522 3.260 -9.468 1.00 0.00 H new ATOM 305 N MET A 20 1.562 3.171 -3.798 1.00 0.00 N ATOM 306 CA MET A 20 2.392 2.183 -3.050 1.00 0.00 C ATOM 307 C MET A 20 2.455 0.857 -3.698 1.00 0.00 C ATOM 308 O MET A 20 1.416 0.198 -3.911 1.00 0.00 O ATOM 309 CB MET A 20 1.847 1.988 -1.658 1.00 0.00 C ATOM 310 CG MET A 20 2.402 2.916 -0.632 1.00 0.00 C ATOM 311 SD MET A 20 1.384 3.033 0.789 1.00 0.00 S ATOM 312 CE MET A 20 -0.007 3.698 -0.024 1.00 0.00 C ATOM 0 H MET A 20 0.599 3.237 -3.467 1.00 0.00 H new ATOM 0 HA MET A 20 3.398 2.602 -3.031 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.764 2.108 -1.687 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.046 0.963 -1.346 1.00 0.00 H new ATOM 0 HG2 MET A 20 3.394 2.574 -0.337 1.00 0.00 H new ATOM 0 HG3 MET A 20 2.523 3.907 -1.071 1.00 0.00 H new ATOM 0 HE1 MET A 20 -0.398 4.537 0.551 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.282 4.042 -1.017 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.776 2.931 -0.115 1.00 0.00 H new ATOM 322 N PHE A 21 3.705 0.430 -3.908 1.00 0.00 N ATOM 323 CA PHE A 21 4.026 -0.742 -4.666 1.00 0.00 C ATOM 324 C PHE A 21 4.520 -1.816 -3.712 1.00 0.00 C ATOM 325 O PHE A 21 5.553 -1.660 -3.052 1.00 0.00 O ATOM 326 CB PHE A 21 5.094 -0.308 -5.669 1.00 0.00 C ATOM 327 CG PHE A 21 5.656 -1.307 -6.634 1.00 0.00 C ATOM 328 CD1 PHE A 21 6.649 -2.191 -6.248 1.00 0.00 C ATOM 329 CD2 PHE A 21 5.243 -1.296 -7.957 1.00 0.00 C ATOM 330 CE1 PHE A 21 7.221 -3.052 -7.153 1.00 0.00 C ATOM 331 CE2 PHE A 21 5.812 -2.167 -8.877 1.00 0.00 C ATOM 332 CZ PHE A 21 6.805 -3.042 -8.471 1.00 0.00 C ATOM 0 H PHE A 21 4.525 0.913 -3.540 1.00 0.00 H new ATOM 0 HA PHE A 21 3.174 -1.163 -5.200 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.677 0.511 -6.255 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.929 0.100 -5.099 1.00 0.00 H new ATOM 0 HD1 PHE A 21 6.979 -2.204 -5.220 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.475 -0.606 -8.274 1.00 0.00 H new ATOM 0 HE1 PHE A 21 7.994 -3.735 -6.835 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.481 -2.162 -9.905 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.255 -3.717 -9.184 1.00 0.00 H new ATOM 342 N VAL A 22 3.777 -2.867 -3.619 1.00 0.00 N ATOM 343 CA VAL A 22 4.071 -3.940 -2.700 1.00 0.00 C ATOM 344 C VAL A 22 4.402 -5.238 -3.441 1.00 0.00 C ATOM 345 O VAL A 22 3.643 -5.687 -4.341 1.00 0.00 O ATOM 346 CB VAL A 22 2.939 -4.055 -1.575 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.587 -3.668 -2.111 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.824 -5.441 -0.916 1.00 0.00 C ATOM 0 H VAL A 22 2.938 -3.017 -4.180 1.00 0.00 H new ATOM 0 HA VAL A 22 4.984 -3.709 -2.151 1.00 0.00 H new ATOM 0 HB VAL A 22 3.264 -3.356 -0.804 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.843 -3.758 -1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.617 -2.638 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.320 -4.328 -2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.032 -5.423 -0.168 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.589 -6.187 -1.676 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.770 -5.696 -0.438 1.00 0.00 H new ATOM 358 N THR A 23 5.576 -5.770 -3.091 1.00 0.00 N ATOM 359 CA THR A 23 6.144 -6.938 -3.641 1.00 0.00 C ATOM 360 C THR A 23 5.671 -8.133 -2.777 1.00 0.00 C ATOM 361 O THR A 23 6.094 -8.225 -1.629 1.00 0.00 O ATOM 362 CB THR A 23 7.690 -6.853 -3.488 1.00 0.00 C ATOM 363 OG1 THR A 23 8.236 -5.812 -4.320 1.00 0.00 O ATOM 364 CG2 THR A 23 8.366 -8.191 -3.778 1.00 0.00 C ATOM 0 H THR A 23 6.165 -5.350 -2.372 1.00 0.00 H new ATOM 0 HA THR A 23 5.859 -7.049 -4.687 1.00 0.00 H new ATOM 0 HB THR A 23 7.896 -6.603 -2.447 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.209 -5.777 -4.205 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.445 -8.087 -3.660 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.996 -8.944 -3.082 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.141 -8.498 -4.799 1.00 0.00 H new ATOM 372 N VAL A 24 4.821 -9.019 -3.269 1.00 0.00 N ATOM 373 CA VAL A 24 4.340 -10.058 -2.477 1.00 0.00 C ATOM 374 C VAL A 24 5.067 -11.376 -2.868 1.00 0.00 C ATOM 375 O VAL A 24 4.653 -12.016 -3.821 1.00 0.00 O ATOM 376 CB VAL A 24 2.820 -10.205 -2.737 1.00 0.00 C ATOM 377 CG1 VAL A 24 2.218 -11.318 -1.935 1.00 0.00 C ATOM 378 CG2 VAL A 24 2.109 -8.911 -2.428 1.00 0.00 C ATOM 0 H VAL A 24 4.467 -9.010 -4.226 1.00 0.00 H new ATOM 0 HA VAL A 24 4.520 -9.849 -1.422 1.00 0.00 H new ATOM 0 HB VAL A 24 2.694 -10.449 -3.792 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.151 -11.385 -2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 24 2.701 -12.259 -2.199 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.364 -11.121 -0.873 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.042 -9.029 -2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.267 -8.650 -1.382 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.504 -8.118 -3.064 1.00 0.00 H new ATOM 388 N SER A 25 6.187 -11.768 -2.217 1.00 0.00 N ATOM 389 CA SER A 25 6.813 -12.974 -2.609 1.00 0.00 C ATOM 390 C SER A 25 6.295 -14.163 -1.735 1.00 0.00 C ATOM 391 O SER A 25 6.759 -14.329 -0.597 1.00 0.00 O ATOM 392 CB SER A 25 8.305 -12.833 -2.420 1.00 0.00 C ATOM 393 OG SER A 25 8.703 -11.516 -2.799 1.00 0.00 O ATOM 0 H SER A 25 6.634 -11.264 -1.451 1.00 0.00 H new ATOM 0 HA SER A 25 6.580 -13.176 -3.655 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.571 -13.021 -1.380 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.832 -13.573 -3.023 1.00 0.00 H new ATOM 0 HG SER A 25 8.261 -11.269 -3.638 1.00 0.00 H new ATOM 399 N GLY A 26 5.303 -14.934 -2.210 1.00 0.00 N ATOM 400 CA GLY A 26 4.817 -16.053 -1.478 1.00 0.00 C ATOM 401 C GLY A 26 4.314 -17.090 -2.445 1.00 0.00 C ATOM 402 O GLY A 26 4.725 -18.257 -2.375 1.00 0.00 O ATOM 0 H GLY A 26 4.838 -14.779 -3.104 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.610 -16.470 -0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.016 -15.744 -0.806 1.00 0.00 H new ATOM 406 N ASN A 27 3.468 -16.682 -3.396 1.00 0.00 N ATOM 407 CA ASN A 27 3.013 -17.591 -4.411 1.00 0.00 C ATOM 408 C ASN A 27 3.538 -17.033 -5.693 1.00 0.00 C ATOM 409 O ASN A 27 3.055 -16.015 -6.144 1.00 0.00 O ATOM 410 CB ASN A 27 1.470 -17.723 -4.429 1.00 0.00 C ATOM 411 CG ASN A 27 0.958 -18.773 -5.432 1.00 0.00 C ATOM 412 OD1 ASN A 27 1.546 -19.002 -6.488 1.00 0.00 O ATOM 413 ND2 ASN A 27 -0.125 -19.426 -5.103 1.00 0.00 N ATOM 0 H ASN A 27 3.097 -15.735 -3.471 1.00 0.00 H new ATOM 0 HA ASN A 27 3.374 -18.604 -4.231 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.124 -17.987 -3.430 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.033 -16.755 -4.673 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -0.498 -20.141 -5.727 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -0.597 -19.220 -4.222 1.00 0.00 H new ATOM 420 N PRO A 28 4.565 -17.657 -6.270 1.00 0.00 N ATOM 421 CA PRO A 28 5.303 -17.127 -7.444 1.00 0.00 C ATOM 422 C PRO A 28 4.483 -17.111 -8.748 1.00 0.00 C ATOM 423 O PRO A 28 5.025 -17.392 -9.818 1.00 0.00 O ATOM 424 CB PRO A 28 6.471 -18.132 -7.600 1.00 0.00 C ATOM 425 CG PRO A 28 6.495 -18.927 -6.342 1.00 0.00 C ATOM 426 CD PRO A 28 5.090 -18.965 -5.855 1.00 0.00 C ATOM 0 HA PRO A 28 5.590 -16.088 -7.281 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.319 -18.776 -8.466 1.00 0.00 H new ATOM 0 HB3 PRO A 28 7.417 -17.612 -7.751 1.00 0.00 H new ATOM 0 HG2 PRO A 28 6.873 -19.933 -6.523 1.00 0.00 H new ATOM 0 HG3 PRO A 28 7.152 -18.468 -5.603 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.529 -19.786 -6.302 1.00 0.00 H new ATOM 0 HD3 PRO A 28 5.040 -19.096 -4.774 1.00 0.00 H new ATOM 434 N THR A 29 3.215 -16.710 -8.695 1.00 0.00 N ATOM 435 CA THR A 29 2.388 -16.751 -9.881 1.00 0.00 C ATOM 436 C THR A 29 1.418 -15.581 -9.793 1.00 0.00 C ATOM 437 O THR A 29 1.472 -14.828 -8.812 1.00 0.00 O ATOM 438 CB THR A 29 1.568 -18.089 -10.018 1.00 0.00 C ATOM 439 OG1 THR A 29 0.679 -18.251 -8.903 1.00 0.00 O ATOM 440 CG2 THR A 29 2.467 -19.322 -10.127 1.00 0.00 C ATOM 0 H THR A 29 2.751 -16.360 -7.856 1.00 0.00 H new ATOM 0 HA THR A 29 3.036 -16.693 -10.756 1.00 0.00 H new ATOM 0 HB THR A 29 0.997 -18.008 -10.943 1.00 0.00 H new ATOM 0 HG1 THR A 29 1.133 -18.751 -8.193 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.850 -20.215 -10.219 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.106 -19.230 -11.005 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.087 -19.400 -9.234 1.00 0.00 H new ATOM 448 N GLU A 30 0.502 -15.441 -10.734 1.00 0.00 N ATOM 449 CA GLU A 30 -0.429 -14.350 -10.702 1.00 0.00 C ATOM 450 C GLU A 30 -1.624 -14.707 -9.845 1.00 0.00 C ATOM 451 O GLU A 30 -2.625 -13.987 -9.826 1.00 0.00 O ATOM 452 CB GLU A 30 -0.900 -14.001 -12.099 1.00 0.00 C ATOM 453 CG GLU A 30 0.166 -13.458 -13.011 1.00 0.00 C ATOM 454 CD GLU A 30 -0.390 -13.144 -14.358 1.00 0.00 C ATOM 455 OE1 GLU A 30 -1.202 -12.198 -14.466 1.00 0.00 O ATOM 456 OE2 GLU A 30 -0.070 -13.859 -15.332 1.00 0.00 O ATOM 0 H GLU A 30 0.390 -16.074 -11.526 1.00 0.00 H new ATOM 0 HA GLU A 30 0.080 -13.486 -10.276 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.328 -14.893 -12.556 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.701 -13.266 -12.023 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.599 -12.558 -12.574 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.972 -14.185 -13.107 1.00 0.00 H new ATOM 463 N LYS A 31 -1.524 -15.806 -9.130 1.00 0.00 N ATOM 464 CA LYS A 31 -2.588 -16.231 -8.287 1.00 0.00 C ATOM 465 C LYS A 31 -2.562 -15.391 -7.031 1.00 0.00 C ATOM 466 O LYS A 31 -3.605 -15.042 -6.488 1.00 0.00 O ATOM 467 CB LYS A 31 -2.497 -17.743 -7.983 1.00 0.00 C ATOM 468 CG LYS A 31 -3.780 -18.347 -7.403 1.00 0.00 C ATOM 469 CD LYS A 31 -4.000 -18.031 -5.933 1.00 0.00 C ATOM 470 CE LYS A 31 -5.473 -18.160 -5.563 1.00 0.00 C ATOM 471 NZ LYS A 31 -6.037 -19.489 -5.897 1.00 0.00 N ATOM 0 H LYS A 31 -0.706 -16.416 -9.125 1.00 0.00 H new ATOM 0 HA LYS A 31 -3.543 -16.087 -8.792 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.243 -18.272 -8.902 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.680 -17.912 -7.282 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.633 -17.981 -7.975 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.751 -19.429 -7.531 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -3.406 -18.708 -5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.654 -17.020 -5.719 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.591 -17.979 -4.495 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.042 -17.389 -6.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.996 -19.568 -5.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.076 -19.600 -6.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.434 -20.234 -5.492 1.00 0.00 H new ATOM 485 N GLU A 32 -1.380 -15.021 -6.590 1.00 0.00 N ATOM 486 CA GLU A 32 -1.294 -14.175 -5.426 1.00 0.00 C ATOM 487 C GLU A 32 -1.774 -12.786 -5.804 1.00 0.00 C ATOM 488 O GLU A 32 -2.542 -12.159 -5.082 1.00 0.00 O ATOM 489 CB GLU A 32 0.120 -14.240 -4.752 1.00 0.00 C ATOM 490 CG GLU A 32 0.920 -12.919 -4.601 1.00 0.00 C ATOM 491 CD GLU A 32 1.696 -12.587 -5.856 1.00 0.00 C ATOM 492 OE1 GLU A 32 2.750 -13.195 -6.067 1.00 0.00 O ATOM 493 OE2 GLU A 32 1.249 -11.744 -6.666 1.00 0.00 O ATOM 0 H GLU A 32 -0.488 -15.285 -7.008 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.955 -14.536 -4.638 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -0.004 -14.670 -3.758 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.731 -14.936 -5.326 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.235 -12.103 -4.371 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.608 -13.005 -3.760 1.00 0.00 H new ATOM 500 N THR A 33 -1.366 -12.386 -6.976 1.00 0.00 N ATOM 501 CA THR A 33 -1.751 -11.180 -7.626 1.00 0.00 C ATOM 502 C THR A 33 -3.269 -11.025 -7.626 1.00 0.00 C ATOM 503 O THR A 33 -3.803 -10.050 -7.108 1.00 0.00 O ATOM 504 CB THR A 33 -1.265 -11.270 -9.063 1.00 0.00 C ATOM 505 OG1 THR A 33 0.128 -11.591 -9.051 1.00 0.00 O ATOM 506 CG2 THR A 33 -1.504 -9.976 -9.813 1.00 0.00 C ATOM 0 H THR A 33 -0.712 -12.936 -7.533 1.00 0.00 H new ATOM 0 HA THR A 33 -1.321 -10.324 -7.106 1.00 0.00 H new ATOM 0 HB THR A 33 -1.826 -12.048 -9.581 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.519 -11.318 -8.195 1.00 0.00 H new ATOM 0 HG21 THR A 33 -1.144 -10.077 -10.837 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.571 -9.753 -9.824 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.969 -9.165 -9.319 1.00 0.00 H new ATOM 514 N GLU A 34 -3.956 -12.023 -8.153 1.00 0.00 N ATOM 515 CA GLU A 34 -5.392 -11.980 -8.272 1.00 0.00 C ATOM 516 C GLU A 34 -6.078 -12.017 -6.906 1.00 0.00 C ATOM 517 O GLU A 34 -6.989 -11.224 -6.664 1.00 0.00 O ATOM 518 CB GLU A 34 -5.897 -13.093 -9.172 1.00 0.00 C ATOM 519 CG GLU A 34 -5.668 -14.496 -8.630 1.00 0.00 C ATOM 520 CD GLU A 34 -6.236 -15.545 -9.522 1.00 0.00 C ATOM 521 OE1 GLU A 34 -5.537 -16.026 -10.426 1.00 0.00 O ATOM 522 OE2 GLU A 34 -7.413 -15.890 -9.373 1.00 0.00 O ATOM 0 H GLU A 34 -3.531 -12.880 -8.507 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.652 -11.028 -8.735 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -6.965 -12.952 -9.339 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.408 -13.008 -10.143 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.598 -14.666 -8.508 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.119 -14.579 -7.641 1.00 0.00 H new ATOM 529 N GLU A 35 -5.589 -12.907 -6.018 1.00 0.00 N ATOM 530 CA GLU A 35 -6.106 -13.107 -4.645 1.00 0.00 C ATOM 531 C GLU A 35 -6.180 -11.736 -3.979 1.00 0.00 C ATOM 532 O GLU A 35 -7.255 -11.186 -3.673 1.00 0.00 O ATOM 533 CB GLU A 35 -5.037 -13.965 -3.856 1.00 0.00 C ATOM 534 CG GLU A 35 -5.467 -14.482 -2.504 1.00 0.00 C ATOM 535 CD GLU A 35 -6.466 -15.601 -2.619 1.00 0.00 C ATOM 536 OE1 GLU A 35 -7.648 -15.348 -2.867 1.00 0.00 O ATOM 537 OE2 GLU A 35 -6.071 -16.773 -2.464 1.00 0.00 O ATOM 0 H GLU A 35 -4.806 -13.522 -6.239 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.080 -13.597 -4.653 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.756 -14.817 -4.475 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.141 -13.359 -3.722 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.593 -14.832 -1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.901 -13.667 -1.926 1.00 0.00 H new ATOM 544 N ILE A 36 -5.028 -11.191 -3.872 1.00 0.00 N ATOM 545 CA ILE A 36 -4.756 -9.957 -3.251 1.00 0.00 C ATOM 546 C ILE A 36 -5.470 -8.770 -3.931 1.00 0.00 C ATOM 547 O ILE A 36 -6.046 -7.943 -3.248 1.00 0.00 O ATOM 548 CB ILE A 36 -3.238 -9.796 -3.265 1.00 0.00 C ATOM 549 CG1 ILE A 36 -2.576 -10.660 -2.147 1.00 0.00 C ATOM 550 CG2 ILE A 36 -2.798 -8.368 -3.238 1.00 0.00 C ATOM 551 CD1 ILE A 36 -1.128 -10.932 -2.417 1.00 0.00 C ATOM 0 H ILE A 36 -4.188 -11.632 -4.246 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.143 -9.955 -2.232 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.883 -10.177 -4.222 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.674 -10.148 -1.190 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.110 -11.606 -2.059 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.709 -8.323 -3.250 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.192 -7.849 -4.112 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.171 -7.889 -2.333 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.715 -11.537 -1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.028 -11.469 -3.360 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.586 -9.988 -2.478 1.00 0.00 H new ATOM 563 N THR A 37 -5.463 -8.693 -5.247 1.00 0.00 N ATOM 564 CA THR A 37 -6.046 -7.534 -5.893 1.00 0.00 C ATOM 565 C THR A 37 -7.553 -7.488 -5.721 1.00 0.00 C ATOM 566 O THR A 37 -8.088 -6.502 -5.199 1.00 0.00 O ATOM 567 CB THR A 37 -5.647 -7.410 -7.378 1.00 0.00 C ATOM 568 OG1 THR A 37 -5.879 -8.659 -8.048 1.00 0.00 O ATOM 569 CG2 THR A 37 -4.175 -7.004 -7.515 1.00 0.00 C ATOM 0 H THR A 37 -5.073 -9.396 -5.874 1.00 0.00 H new ATOM 0 HA THR A 37 -5.627 -6.666 -5.384 1.00 0.00 H new ATOM 0 HB THR A 37 -6.258 -6.634 -7.839 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.088 -9.231 -7.957 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.917 -6.923 -8.571 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.016 -6.042 -7.028 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.544 -7.758 -7.044 1.00 0.00 H new ATOM 577 N SER A 38 -8.212 -8.574 -6.076 1.00 0.00 N ATOM 578 CA SER A 38 -9.649 -8.646 -5.991 1.00 0.00 C ATOM 579 C SER A 38 -10.135 -8.508 -4.550 1.00 0.00 C ATOM 580 O SER A 38 -10.897 -7.564 -4.224 1.00 0.00 O ATOM 581 CB SER A 38 -10.158 -9.941 -6.639 1.00 0.00 C ATOM 582 OG SER A 38 -9.521 -11.081 -6.084 1.00 0.00 O ATOM 0 H SER A 38 -7.767 -9.422 -6.428 1.00 0.00 H new ATOM 0 HA SER A 38 -10.065 -7.804 -6.545 1.00 0.00 H new ATOM 0 HB2 SER A 38 -11.236 -10.020 -6.500 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.977 -9.908 -7.713 1.00 0.00 H new ATOM 0 HG SER A 38 -8.725 -11.301 -6.612 1.00 0.00 H new ATOM 588 N LEU A 39 -9.648 -9.385 -3.669 1.00 0.00 N ATOM 589 CA LEU A 39 -10.097 -9.386 -2.296 1.00 0.00 C ATOM 590 C LEU A 39 -9.755 -8.091 -1.588 1.00 0.00 C ATOM 591 O LEU A 39 -10.650 -7.431 -1.030 1.00 0.00 O ATOM 592 CB LEU A 39 -9.589 -10.604 -1.484 1.00 0.00 C ATOM 593 CG LEU A 39 -10.267 -11.980 -1.720 1.00 0.00 C ATOM 594 CD1 LEU A 39 -10.109 -12.481 -3.145 1.00 0.00 C ATOM 595 CD2 LEU A 39 -9.718 -13.001 -0.741 1.00 0.00 C ATOM 0 H LEU A 39 -8.949 -10.094 -3.890 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.182 -9.473 -2.347 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.524 -10.719 -1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.687 -10.362 -0.426 1.00 0.00 H new ATOM 0 HG LEU A 39 -11.335 -11.842 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.604 -13.447 -3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -10.560 -11.767 -3.834 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.050 -12.589 -3.377 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.198 -13.964 -0.912 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.642 -13.101 -0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -9.919 -12.672 0.279 1.00 0.00 H new ATOM 607 N TRP A 40 -8.507 -7.663 -1.690 1.00 0.00 N ATOM 608 CA TRP A 40 -8.074 -6.523 -0.926 1.00 0.00 C ATOM 609 C TRP A 40 -8.573 -5.202 -1.463 1.00 0.00 C ATOM 610 O TRP A 40 -9.047 -4.397 -0.690 1.00 0.00 O ATOM 611 CB TRP A 40 -6.593 -6.453 -0.776 1.00 0.00 C ATOM 612 CG TRP A 40 -5.931 -7.586 -0.079 1.00 0.00 C ATOM 613 CD1 TRP A 40 -6.488 -8.611 0.632 1.00 0.00 C ATOM 614 CD2 TRP A 40 -4.545 -7.754 -0.006 1.00 0.00 C ATOM 615 NE1 TRP A 40 -5.493 -9.415 1.124 1.00 0.00 N ATOM 616 CE2 TRP A 40 -4.285 -8.892 0.746 1.00 0.00 C ATOM 617 CE3 TRP A 40 -3.493 -7.033 -0.517 1.00 0.00 C ATOM 618 CZ2 TRP A 40 -2.991 -9.315 0.999 1.00 0.00 C ATOM 619 CZ3 TRP A 40 -2.204 -7.447 -0.257 1.00 0.00 C ATOM 620 CH2 TRP A 40 -1.963 -8.567 0.487 1.00 0.00 C ATOM 0 H TRP A 40 -7.793 -8.084 -2.285 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.526 -6.684 0.053 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -6.156 -6.365 -1.771 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.350 -5.536 -0.239 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -7.546 -8.764 0.783 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.629 -10.260 1.678 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -3.674 -6.152 -1.115 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -2.798 -10.205 1.580 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.373 -6.878 -0.647 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.943 -8.869 0.675 1.00 0.00 H new ATOM 631 N GLN A 41 -8.474 -4.927 -2.777 1.00 0.00 N ATOM 632 CA GLN A 41 -8.970 -3.623 -3.212 1.00 0.00 C ATOM 633 C GLN A 41 -10.484 -3.620 -3.201 1.00 0.00 C ATOM 634 O GLN A 41 -11.104 -2.565 -3.117 1.00 0.00 O ATOM 635 CB GLN A 41 -8.308 -3.029 -4.515 1.00 0.00 C ATOM 636 CG GLN A 41 -8.764 -3.539 -5.875 1.00 0.00 C ATOM 637 CD GLN A 41 -9.788 -2.619 -6.531 1.00 0.00 C ATOM 638 OE1 GLN A 41 -10.997 -2.768 -6.319 1.00 0.00 O ATOM 639 NE2 GLN A 41 -9.324 -1.697 -7.368 1.00 0.00 N ATOM 0 H GLN A 41 -8.088 -5.537 -3.498 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.629 -2.896 -2.475 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.463 -1.950 -4.500 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.234 -3.198 -4.444 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.899 -3.640 -6.530 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.195 -4.534 -5.761 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -8.319 -1.603 -7.518 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.972 -1.083 -7.861 1.00 0.00 H new ATOM 648 N GLY A 42 -11.079 -4.831 -3.215 1.00 0.00 N ATOM 649 CA GLY A 42 -12.491 -4.947 -3.004 1.00 0.00 C ATOM 650 C GLY A 42 -12.859 -4.411 -1.631 1.00 0.00 C ATOM 651 O GLY A 42 -13.691 -3.518 -1.520 1.00 0.00 O ATOM 0 H GLY A 42 -10.592 -5.714 -3.369 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.028 -4.395 -3.775 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.795 -5.990 -3.089 1.00 0.00 H new ATOM 655 N SER A 43 -12.193 -4.903 -0.590 1.00 0.00 N ATOM 656 CA SER A 43 -12.453 -4.438 0.763 1.00 0.00 C ATOM 657 C SER A 43 -11.965 -2.984 0.981 1.00 0.00 C ATOM 658 O SER A 43 -12.616 -2.192 1.696 1.00 0.00 O ATOM 659 CB SER A 43 -11.865 -5.418 1.779 1.00 0.00 C ATOM 660 OG SER A 43 -10.540 -5.792 1.419 1.00 0.00 O ATOM 0 H SER A 43 -11.472 -5.621 -0.660 1.00 0.00 H new ATOM 0 HA SER A 43 -13.532 -4.411 0.917 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.862 -4.962 2.769 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.494 -6.306 1.839 1.00 0.00 H new ATOM 0 HG SER A 43 -10.179 -5.143 0.780 1.00 0.00 H new ATOM 666 N LEU A 44 -10.852 -2.618 0.327 1.00 0.00 N ATOM 667 CA LEU A 44 -10.335 -1.253 0.392 1.00 0.00 C ATOM 668 C LEU A 44 -11.343 -0.232 -0.165 1.00 0.00 C ATOM 669 O LEU A 44 -11.468 0.882 0.362 1.00 0.00 O ATOM 670 CB LEU A 44 -8.922 -1.087 -0.248 1.00 0.00 C ATOM 671 CG LEU A 44 -7.738 -1.813 0.401 1.00 0.00 C ATOM 672 CD1 LEU A 44 -6.395 -1.109 -0.015 1.00 0.00 C ATOM 673 CD2 LEU A 44 -7.928 -1.895 1.926 1.00 0.00 C ATOM 0 H LEU A 44 -10.298 -3.251 -0.250 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.201 -1.039 1.452 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.986 -1.417 -1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.689 -0.022 -0.267 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.689 -2.841 0.042 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.554 -1.627 0.447 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.288 -1.140 -1.099 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -6.410 -0.071 0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.079 -2.413 2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.996 -0.888 2.339 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.844 -2.441 2.150 1.00 0.00 H new ATOM 685 N PHE A 45 -12.093 -0.616 -1.195 1.00 0.00 N ATOM 686 CA PHE A 45 -13.141 0.250 -1.710 1.00 0.00 C ATOM 687 C PHE A 45 -14.455 0.025 -0.978 1.00 0.00 C ATOM 688 O PHE A 45 -15.311 0.901 -0.956 1.00 0.00 O ATOM 689 CB PHE A 45 -13.329 0.111 -3.218 1.00 0.00 C ATOM 690 CG PHE A 45 -12.292 0.824 -4.038 1.00 0.00 C ATOM 691 CD1 PHE A 45 -11.098 0.217 -4.368 1.00 0.00 C ATOM 692 CD2 PHE A 45 -12.530 2.112 -4.488 1.00 0.00 C ATOM 693 CE1 PHE A 45 -10.158 0.876 -5.127 1.00 0.00 C ATOM 694 CE2 PHE A 45 -11.596 2.777 -5.247 1.00 0.00 C ATOM 695 CZ PHE A 45 -10.408 2.157 -5.568 1.00 0.00 C ATOM 0 H PHE A 45 -11.995 -1.508 -1.681 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.815 1.273 -1.523 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -13.316 -0.947 -3.478 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -14.314 0.493 -3.486 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -10.898 -0.788 -4.026 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -13.461 2.600 -4.240 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -9.226 0.390 -5.376 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -11.793 3.782 -5.590 1.00 0.00 H new ATOM 0 HZ PHE A 45 -9.673 2.675 -6.165 1.00 0.00 H new ATOM 705 N ASN A 46 -14.606 -1.140 -0.369 1.00 0.00 N ATOM 706 CA ASN A 46 -15.801 -1.457 0.425 1.00 0.00 C ATOM 707 C ASN A 46 -15.891 -0.560 1.662 1.00 0.00 C ATOM 708 O ASN A 46 -16.980 -0.149 2.061 1.00 0.00 O ATOM 709 CB ASN A 46 -15.862 -2.960 0.799 1.00 0.00 C ATOM 710 CG ASN A 46 -16.945 -3.292 1.819 1.00 0.00 C ATOM 711 OD1 ASN A 46 -16.704 -3.236 3.026 1.00 0.00 O ATOM 712 ND2 ASN A 46 -18.116 -3.655 1.367 1.00 0.00 N ATOM 0 H ASN A 46 -13.917 -1.891 -0.405 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.673 -1.252 -0.196 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -16.035 -3.544 -0.105 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -14.894 -3.266 1.196 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -18.860 -3.902 2.019 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -18.286 -3.692 0.362 1.00 0.00 H new ATOM 719 N ALA A 47 -14.740 -0.204 2.239 1.00 0.00 N ATOM 720 CA ALA A 47 -14.720 0.734 3.369 1.00 0.00 C ATOM 721 C ALA A 47 -14.745 2.180 2.848 1.00 0.00 C ATOM 722 O ALA A 47 -14.626 3.138 3.610 1.00 0.00 O ATOM 723 CB ALA A 47 -13.510 0.490 4.256 1.00 0.00 C ATOM 0 H ALA A 47 -13.823 -0.544 1.950 1.00 0.00 H new ATOM 0 HA ALA A 47 -15.609 0.570 3.978 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.518 1.197 5.085 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.544 -0.527 4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.599 0.625 3.673 1.00 0.00 H new ATOM 729 N ASN A 48 -14.885 2.287 1.531 1.00 0.00 N ATOM 730 CA ASN A 48 -15.020 3.528 0.773 1.00 0.00 C ATOM 731 C ASN A 48 -13.921 4.563 1.080 1.00 0.00 C ATOM 732 O ASN A 48 -14.205 5.743 1.276 1.00 0.00 O ATOM 733 CB ASN A 48 -16.432 4.145 0.955 1.00 0.00 C ATOM 734 CG ASN A 48 -16.701 5.269 -0.054 1.00 0.00 C ATOM 735 OD1 ASN A 48 -16.164 5.257 -1.169 1.00 0.00 O ATOM 736 ND2 ASN A 48 -17.533 6.219 0.304 1.00 0.00 N ATOM 0 H ASN A 48 -14.909 1.464 0.929 1.00 0.00 H new ATOM 0 HA ASN A 48 -14.890 3.253 -0.274 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -17.186 3.366 0.840 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -16.529 4.536 1.968 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -17.753 6.975 -0.344 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -17.960 6.201 1.230 1.00 0.00 H new ATOM 743 N TYR A 49 -12.660 4.151 1.136 1.00 0.00 N ATOM 744 CA TYR A 49 -11.627 5.134 1.281 1.00 0.00 C ATOM 745 C TYR A 49 -11.375 5.741 -0.129 1.00 0.00 C ATOM 746 O TYR A 49 -11.839 5.158 -1.128 1.00 0.00 O ATOM 747 CB TYR A 49 -10.350 4.497 1.814 1.00 0.00 C ATOM 748 CG TYR A 49 -10.292 4.206 3.277 1.00 0.00 C ATOM 749 CD1 TYR A 49 -10.421 5.209 4.221 1.00 0.00 C ATOM 750 CD2 TYR A 49 -10.079 2.913 3.714 1.00 0.00 C ATOM 751 CE1 TYR A 49 -10.338 4.926 5.566 1.00 0.00 C ATOM 752 CE2 TYR A 49 -9.990 2.619 5.050 1.00 0.00 C ATOM 753 CZ TYR A 49 -10.122 3.629 5.975 1.00 0.00 C ATOM 754 OH TYR A 49 -10.017 3.343 7.315 1.00 0.00 O ATOM 0 H TYR A 49 -12.349 3.181 1.085 1.00 0.00 H new ATOM 0 HA TYR A 49 -11.929 5.904 1.991 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -10.189 3.562 1.277 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -9.516 5.154 1.567 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -10.589 6.226 3.899 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.981 2.118 2.989 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -10.442 5.716 6.295 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.818 1.603 5.374 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.867 2.382 7.434 1.00 0.00 H new ATOM 764 N ASP A 50 -10.676 6.865 -0.262 1.00 0.00 N ATOM 765 CA ASP A 50 -10.436 7.371 -1.598 1.00 0.00 C ATOM 766 C ASP A 50 -9.073 6.951 -2.029 1.00 0.00 C ATOM 767 O ASP A 50 -8.075 7.569 -1.684 1.00 0.00 O ATOM 768 CB ASP A 50 -10.623 8.878 -1.723 1.00 0.00 C ATOM 769 CG ASP A 50 -10.352 9.357 -3.136 1.00 0.00 C ATOM 770 OD1 ASP A 50 -10.932 8.799 -4.093 1.00 0.00 O ATOM 771 OD2 ASP A 50 -9.535 10.282 -3.319 1.00 0.00 O ATOM 0 H ASP A 50 -10.285 7.416 0.502 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.188 6.941 -2.260 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.640 9.144 -1.436 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.953 9.387 -1.030 1.00 0.00 H new ATOM 776 N VAL A 51 -9.044 5.870 -2.711 1.00 0.00 N ATOM 777 CA VAL A 51 -7.829 5.188 -3.088 1.00 0.00 C ATOM 778 C VAL A 51 -7.883 4.774 -4.514 1.00 0.00 C ATOM 779 O VAL A 51 -8.913 4.919 -5.179 1.00 0.00 O ATOM 780 CB VAL A 51 -7.696 3.882 -2.276 1.00 0.00 C ATOM 781 CG1 VAL A 51 -7.158 4.110 -0.877 1.00 0.00 C ATOM 782 CG2 VAL A 51 -9.061 3.199 -2.249 1.00 0.00 C ATOM 0 H VAL A 51 -9.888 5.404 -3.043 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.999 5.871 -2.907 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.963 3.238 -2.762 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.087 3.156 -0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.170 4.566 -0.937 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.830 4.773 -0.332 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.993 2.272 -1.680 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -9.789 3.860 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -9.377 2.977 -3.268 1.00 0.00 H new ATOM 792 N GLN A 52 -6.776 4.279 -4.975 1.00 0.00 N ATOM 793 CA GLN A 52 -6.681 3.615 -6.258 1.00 0.00 C ATOM 794 C GLN A 52 -5.803 2.416 -6.055 1.00 0.00 C ATOM 795 O GLN A 52 -4.721 2.536 -5.559 1.00 0.00 O ATOM 796 CB GLN A 52 -6.094 4.509 -7.390 1.00 0.00 C ATOM 797 CG GLN A 52 -7.017 5.610 -7.946 1.00 0.00 C ATOM 798 CD GLN A 52 -7.231 6.810 -7.033 1.00 0.00 C ATOM 799 OE1 GLN A 52 -8.306 7.435 -7.050 1.00 0.00 O ATOM 800 NE2 GLN A 52 -6.225 7.184 -6.279 1.00 0.00 N ATOM 0 H GLN A 52 -5.892 4.321 -4.468 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.686 3.353 -6.588 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.187 4.982 -7.015 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -5.798 3.863 -8.216 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -6.604 5.964 -8.891 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.988 5.167 -8.169 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.356 6.650 -6.287 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.312 8.008 -5.685 1.00 0.00 H new ATOM 809 N ARG A 53 -6.261 1.275 -6.366 1.00 0.00 N ATOM 810 CA ARG A 53 -5.438 0.116 -6.197 1.00 0.00 C ATOM 811 C ARG A 53 -5.233 -0.584 -7.490 1.00 0.00 C ATOM 812 O ARG A 53 -6.153 -0.664 -8.312 1.00 0.00 O ATOM 813 CB ARG A 53 -5.925 -0.813 -5.125 1.00 0.00 C ATOM 814 CG ARG A 53 -5.556 -0.423 -3.719 1.00 0.00 C ATOM 815 CD ARG A 53 -5.700 -1.630 -2.892 1.00 0.00 C ATOM 816 NE ARG A 53 -5.073 -2.828 -3.474 1.00 0.00 N ATOM 817 CZ ARG A 53 -4.790 -3.945 -2.824 1.00 0.00 C ATOM 818 NH1 ARG A 53 -4.872 -3.986 -1.495 1.00 0.00 N ATOM 819 NH2 ARG A 53 -4.382 -5.011 -3.510 1.00 0.00 N ATOM 0 H ARG A 53 -7.194 1.100 -6.739 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.469 0.474 -5.848 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.011 -0.881 -5.192 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.530 -1.809 -5.324 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -4.534 -0.046 -3.678 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -6.205 0.374 -3.356 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -5.262 -1.442 -1.912 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -6.760 -1.827 -2.734 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.836 -2.794 -4.465 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.154 -3.155 -0.976 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.653 -4.849 -0.997 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.291 -4.960 -4.525 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.161 -5.878 -3.021 1.00 0.00 H new ATOM 833 N PHE A 54 -4.038 -1.095 -7.693 1.00 0.00 N ATOM 834 CA PHE A 54 -3.702 -1.615 -9.008 1.00 0.00 C ATOM 835 C PHE A 54 -3.124 -2.996 -8.999 1.00 0.00 C ATOM 836 O PHE A 54 -2.542 -3.458 -7.985 1.00 0.00 O ATOM 837 CB PHE A 54 -2.749 -0.673 -9.765 1.00 0.00 C ATOM 838 CG PHE A 54 -3.380 0.545 -10.378 1.00 0.00 C ATOM 839 CD1 PHE A 54 -3.735 1.645 -9.614 1.00 0.00 C ATOM 840 CD2 PHE A 54 -3.592 0.588 -11.736 1.00 0.00 C ATOM 841 CE1 PHE A 54 -4.294 2.758 -10.202 1.00 0.00 C ATOM 842 CE2 PHE A 54 -4.149 1.691 -12.329 1.00 0.00 C ATOM 843 CZ PHE A 54 -4.502 2.784 -11.564 1.00 0.00 C ATOM 0 H PHE A 54 -3.301 -1.163 -6.991 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.659 -1.674 -9.526 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.969 -0.347 -9.077 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -2.259 -1.242 -10.556 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -3.572 1.630 -8.547 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.315 -0.260 -12.345 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -4.569 3.609 -9.597 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.312 1.705 -13.397 1.00 0.00 H new ATOM 0 HZ PHE A 54 -4.939 3.655 -12.030 1.00 0.00 H new ATOM 853 N ILE A 55 -3.354 -3.669 -10.101 1.00 0.00 N ATOM 854 CA ILE A 55 -2.740 -4.920 -10.414 1.00 0.00 C ATOM 855 C ILE A 55 -1.546 -4.567 -11.257 1.00 0.00 C ATOM 856 O ILE A 55 -1.695 -4.100 -12.385 1.00 0.00 O ATOM 857 CB ILE A 55 -3.653 -5.829 -11.268 1.00 0.00 C ATOM 858 CG1 ILE A 55 -5.016 -6.002 -10.605 1.00 0.00 C ATOM 859 CG2 ILE A 55 -2.982 -7.184 -11.506 1.00 0.00 C ATOM 860 CD1 ILE A 55 -5.931 -6.946 -11.325 1.00 0.00 C ATOM 0 H ILE A 55 -3.996 -3.343 -10.823 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.507 -5.457 -9.495 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.811 -5.352 -12.235 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.870 -6.361 -9.586 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.500 -5.028 -10.533 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.637 -7.813 -12.109 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.038 -7.035 -12.030 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.793 -7.669 -10.549 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.878 -7.014 -10.790 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.110 -6.579 -12.336 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.471 -7.933 -11.374 1.00 0.00 H new ATOM 872 N VAL A 56 -0.394 -4.725 -10.723 1.00 0.00 N ATOM 873 CA VAL A 56 0.788 -4.330 -11.418 1.00 0.00 C ATOM 874 C VAL A 56 1.637 -5.507 -11.820 1.00 0.00 C ATOM 875 O VAL A 56 2.539 -5.372 -12.652 1.00 0.00 O ATOM 876 CB VAL A 56 1.582 -3.229 -10.673 1.00 0.00 C ATOM 877 CG1 VAL A 56 0.883 -1.877 -10.864 1.00 0.00 C ATOM 878 CG2 VAL A 56 1.652 -3.558 -9.190 1.00 0.00 C ATOM 0 H VAL A 56 -0.235 -5.128 -9.799 1.00 0.00 H new ATOM 0 HA VAL A 56 0.458 -3.869 -12.349 1.00 0.00 H new ATOM 0 HB VAL A 56 2.593 -3.179 -11.078 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.441 -1.101 -10.340 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.839 -1.637 -11.926 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.129 -1.930 -10.462 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.212 -2.780 -8.671 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.643 -3.613 -8.781 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.152 -4.517 -9.053 1.00 0.00 H new ATOM 888 N GLY A 57 1.394 -6.665 -11.229 1.00 0.00 N ATOM 889 CA GLY A 57 2.043 -7.835 -11.766 1.00 0.00 C ATOM 890 C GLY A 57 2.075 -8.992 -10.841 1.00 0.00 C ATOM 891 O GLY A 57 1.615 -8.906 -9.724 1.00 0.00 O ATOM 0 H GLY A 57 0.787 -6.813 -10.423 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.532 -8.131 -12.682 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.065 -7.575 -12.040 1.00 0.00 H new ATOM 895 N SER A 58 2.604 -10.076 -11.327 1.00 0.00 N ATOM 896 CA SER A 58 2.795 -11.267 -10.558 1.00 0.00 C ATOM 897 C SER A 58 3.826 -10.948 -9.487 1.00 0.00 C ATOM 898 O SER A 58 4.956 -10.566 -9.835 1.00 0.00 O ATOM 899 CB SER A 58 3.302 -12.373 -11.509 1.00 0.00 C ATOM 900 OG SER A 58 3.482 -13.614 -10.863 1.00 0.00 O ATOM 0 H SER A 58 2.922 -10.157 -12.293 1.00 0.00 H new ATOM 0 HA SER A 58 1.875 -11.611 -10.085 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.592 -12.495 -12.327 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.247 -12.059 -11.951 1.00 0.00 H new ATOM 0 HG SER A 58 3.802 -14.277 -11.511 1.00 0.00 H new ATOM 906 N ASP A 59 3.403 -11.024 -8.202 1.00 0.00 N ATOM 907 CA ASP A 59 4.210 -10.729 -7.032 1.00 0.00 C ATOM 908 C ASP A 59 4.145 -9.215 -6.744 1.00 0.00 C ATOM 909 O ASP A 59 4.828 -8.688 -5.899 1.00 0.00 O ATOM 910 CB ASP A 59 5.666 -11.372 -7.123 1.00 0.00 C ATOM 911 CG ASP A 59 6.832 -10.688 -6.354 1.00 0.00 C ATOM 912 OD1 ASP A 59 7.475 -9.759 -6.908 1.00 0.00 O ATOM 913 OD2 ASP A 59 7.221 -11.163 -5.251 1.00 0.00 O ATOM 0 H ASP A 59 2.452 -11.305 -7.962 1.00 0.00 H new ATOM 0 HA ASP A 59 3.799 -11.218 -6.149 1.00 0.00 H new ATOM 0 HB2 ASP A 59 5.596 -12.401 -6.770 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.944 -11.414 -8.176 1.00 0.00 H new ATOM 918 N ARG A 60 3.239 -8.511 -7.462 1.00 0.00 N ATOM 919 CA ARG A 60 3.110 -7.050 -7.335 1.00 0.00 C ATOM 920 C ARG A 60 1.651 -6.547 -7.321 1.00 0.00 C ATOM 921 O ARG A 60 0.884 -6.706 -8.302 1.00 0.00 O ATOM 922 CB ARG A 60 3.857 -6.290 -8.438 1.00 0.00 C ATOM 923 CG ARG A 60 5.366 -6.395 -8.429 1.00 0.00 C ATOM 924 CD ARG A 60 5.832 -7.695 -9.015 1.00 0.00 C ATOM 925 NE ARG A 60 7.275 -7.827 -8.986 1.00 0.00 N ATOM 926 CZ ARG A 60 8.086 -7.661 -10.036 1.00 0.00 C ATOM 927 NH1 ARG A 60 7.596 -7.271 -11.213 1.00 0.00 N ATOM 928 NH2 ARG A 60 9.387 -7.864 -9.893 1.00 0.00 N ATOM 0 H ARG A 60 2.593 -8.932 -8.129 1.00 0.00 H new ATOM 0 HA ARG A 60 3.561 -6.842 -6.365 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.496 -6.647 -9.402 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.588 -5.236 -8.368 1.00 0.00 H new ATOM 0 HG2 ARG A 60 5.792 -5.567 -8.995 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.732 -6.304 -7.406 1.00 0.00 H new ATOM 0 HD2 ARG A 60 5.383 -8.521 -8.463 1.00 0.00 H new ATOM 0 HD3 ARG A 60 5.483 -7.772 -10.045 1.00 0.00 H new ATOM 0 HE ARG A 60 7.706 -8.066 -8.093 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.596 -7.097 -11.317 1.00 0.00 H new ATOM 0 HH12 ARG A 60 8.221 -7.146 -12.010 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.763 -8.145 -8.987 1.00 0.00 H new ATOM 0 HH22 ARG A 60 10.013 -7.740 -10.689 1.00 0.00 H new ATOM 942 N ALA A 61 1.325 -5.823 -6.276 1.00 0.00 N ATOM 943 CA ALA A 61 -0.006 -5.245 -6.069 1.00 0.00 C ATOM 944 C ALA A 61 0.191 -3.809 -5.620 1.00 0.00 C ATOM 945 O ALA A 61 1.315 -3.453 -5.229 1.00 0.00 O ATOM 946 CB ALA A 61 -0.715 -6.016 -4.967 1.00 0.00 C ATOM 0 H ALA A 61 1.981 -5.608 -5.525 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.599 -5.292 -6.982 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.706 -5.592 -4.806 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.810 -7.062 -5.258 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -0.137 -5.947 -4.045 1.00 0.00 H new ATOM 952 N ILE A 62 -0.831 -2.953 -5.704 1.00 0.00 N ATOM 953 CA ILE A 62 -0.652 -1.612 -5.142 1.00 0.00 C ATOM 954 C ILE A 62 -1.823 -1.182 -4.411 1.00 0.00 C ATOM 955 O ILE A 62 -2.967 -1.542 -4.807 1.00 0.00 O ATOM 956 CB ILE A 62 -0.403 -0.435 -6.176 1.00 0.00 C ATOM 957 CG1 ILE A 62 -1.634 0.578 -6.239 1.00 0.00 C ATOM 958 CG2 ILE A 62 -0.066 -0.940 -7.540 1.00 0.00 C ATOM 959 CD1 ILE A 62 -1.354 1.799 -7.068 1.00 0.00 C ATOM 0 H ILE A 62 -1.738 -3.146 -6.128 1.00 0.00 H new ATOM 0 HA ILE A 62 0.240 -1.755 -4.532 1.00 0.00 H new ATOM 0 HB ILE A 62 0.463 0.114 -5.805 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.502 0.060 -6.648 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -1.895 0.886 -5.227 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.095 -0.096 -8.211 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.841 -1.543 -7.491 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.888 -1.550 -7.915 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.231 2.446 -7.070 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.506 2.338 -6.647 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.122 1.500 -8.090 1.00 0.00 H new ATOM 971 N PHE A 63 -1.541 -0.276 -3.467 1.00 0.00 N ATOM 972 CA PHE A 63 -2.536 0.555 -2.863 1.00 0.00 C ATOM 973 C PHE A 63 -2.073 2.019 -3.001 1.00 0.00 C ATOM 974 O PHE A 63 -1.010 2.395 -2.546 1.00 0.00 O ATOM 975 CB PHE A 63 -2.957 0.136 -1.414 1.00 0.00 C ATOM 976 CG PHE A 63 -1.928 0.185 -0.327 1.00 0.00 C ATOM 977 CD1 PHE A 63 -0.747 -0.543 -0.423 1.00 0.00 C ATOM 978 CD2 PHE A 63 -2.161 0.932 0.831 1.00 0.00 C ATOM 979 CE1 PHE A 63 0.174 -0.521 0.598 1.00 0.00 C ATOM 980 CE2 PHE A 63 -1.230 0.943 1.837 1.00 0.00 C ATOM 981 CZ PHE A 63 -0.068 0.220 1.721 1.00 0.00 C ATOM 0 H PHE A 63 -0.599 -0.114 -3.112 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.477 0.424 -3.398 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.788 0.774 -1.113 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.340 -0.883 -1.462 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.551 -1.131 -1.307 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.074 1.500 0.933 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.089 -1.089 0.513 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.412 1.525 2.728 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.658 0.237 2.521 1.00 0.00 H new ATOM 991 N MET A 64 -2.782 2.781 -3.785 1.00 0.00 N ATOM 992 CA MET A 64 -2.436 4.216 -3.977 1.00 0.00 C ATOM 993 C MET A 64 -3.250 5.066 -3.041 1.00 0.00 C ATOM 994 O MET A 64 -4.506 4.999 -3.078 1.00 0.00 O ATOM 995 CB MET A 64 -2.694 4.683 -5.418 1.00 0.00 C ATOM 996 CG MET A 64 -2.368 6.150 -5.676 1.00 0.00 C ATOM 997 SD MET A 64 -2.985 6.728 -7.279 1.00 0.00 S ATOM 998 CE MET A 64 -2.096 5.660 -8.417 1.00 0.00 C ATOM 0 H MET A 64 -3.599 2.465 -4.308 1.00 0.00 H new ATOM 0 HA MET A 64 -1.372 4.323 -3.766 1.00 0.00 H new ATOM 0 HB2 MET A 64 -2.103 4.068 -6.097 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.742 4.509 -5.661 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.801 6.760 -4.883 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.288 6.292 -5.634 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.750 5.385 -9.244 1.00 0.00 H new ATOM 0 HE2 MET A 64 -1.224 6.187 -8.804 1.00 0.00 H new ATOM 0 HE3 MET A 64 -1.774 4.760 -7.894 1.00 0.00 H new ATOM 1008 N LEU A 65 -2.558 5.890 -2.253 1.00 0.00 N ATOM 1009 CA LEU A 65 -3.198 6.712 -1.242 1.00 0.00 C ATOM 1010 C LEU A 65 -3.322 8.125 -1.712 1.00 0.00 C ATOM 1011 O LEU A 65 -2.476 8.616 -2.464 1.00 0.00 O ATOM 1012 CB LEU A 65 -2.427 6.638 0.100 1.00 0.00 C ATOM 1013 CG LEU A 65 -1.266 7.646 0.419 1.00 0.00 C ATOM 1014 CD1 LEU A 65 -0.725 7.456 1.790 1.00 0.00 C ATOM 1015 CD2 LEU A 65 -0.167 7.495 -0.501 1.00 0.00 C ATOM 0 H LEU A 65 -1.545 6.001 -2.302 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.202 6.323 -1.072 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -3.163 6.735 0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.008 5.634 0.173 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.706 8.639 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.076 8.174 1.968 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.520 7.611 2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.333 6.444 1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.618 8.208 -0.250 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.228 6.481 -0.432 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.515 7.681 -1.517 1.00 0.00 H new ATOM 1027 N ARG A 66 -4.390 8.739 -1.331 1.00 0.00 N ATOM 1028 CA ARG A 66 -4.602 10.150 -1.659 1.00 0.00 C ATOM 1029 C ARG A 66 -4.752 11.086 -0.404 1.00 0.00 C ATOM 1030 O ARG A 66 -4.124 12.151 -0.372 1.00 0.00 O ATOM 1031 CB ARG A 66 -5.673 10.325 -2.785 1.00 0.00 C ATOM 1032 CG ARG A 66 -5.813 11.732 -3.398 1.00 0.00 C ATOM 1033 CD ARG A 66 -6.561 12.698 -2.508 1.00 0.00 C ATOM 1034 NE ARG A 66 -7.926 12.247 -2.261 1.00 0.00 N ATOM 1035 CZ ARG A 66 -8.775 12.777 -1.387 1.00 0.00 C ATOM 1036 NH1 ARG A 66 -8.395 13.756 -0.575 1.00 0.00 N ATOM 1037 NH2 ARG A 66 -10.002 12.293 -1.324 1.00 0.00 N ATOM 0 H ARG A 66 -5.141 8.307 -0.793 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.677 10.524 -2.098 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.439 9.626 -3.588 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.642 10.033 -2.381 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.820 12.132 -3.604 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.330 11.655 -4.355 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.034 12.804 -1.560 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.580 13.683 -2.974 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.259 11.453 -2.808 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.440 14.111 -0.617 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -9.058 14.153 0.091 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.281 11.528 -1.939 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.671 12.684 -0.661 1.00 0.00 H new ATOM 1051 N ASP A 67 -5.612 10.749 0.600 1.00 0.00 N ATOM 1052 CA ASP A 67 -5.659 11.501 1.877 1.00 0.00 C ATOM 1053 C ASP A 67 -4.252 11.794 2.527 1.00 0.00 C ATOM 1054 O ASP A 67 -4.134 12.744 3.279 1.00 0.00 O ATOM 1055 CB ASP A 67 -6.576 10.799 2.914 1.00 0.00 C ATOM 1056 CG ASP A 67 -6.875 11.676 4.112 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -7.831 12.497 4.055 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -6.161 11.577 5.120 1.00 0.00 O ATOM 0 H ASP A 67 -6.271 9.972 0.546 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.076 12.470 1.603 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.512 10.515 2.433 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -6.099 9.879 3.252 1.00 0.00 H new ATOM 1063 N GLY A 68 -3.183 11.009 2.228 1.00 0.00 N ATOM 1064 CA GLY A 68 -1.907 11.281 2.835 1.00 0.00 C ATOM 1065 C GLY A 68 -1.700 10.578 4.181 1.00 0.00 C ATOM 1066 O GLY A 68 -0.612 10.115 4.481 1.00 0.00 O ATOM 0 H GLY A 68 -3.202 10.214 1.589 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.117 10.974 2.150 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.805 12.357 2.978 1.00 0.00 H new ATOM 1070 N SER A 69 -2.763 10.386 4.924 1.00 0.00 N ATOM 1071 CA SER A 69 -2.635 9.997 6.336 1.00 0.00 C ATOM 1072 C SER A 69 -3.472 8.741 6.726 1.00 0.00 C ATOM 1073 O SER A 69 -4.084 8.713 7.793 1.00 0.00 O ATOM 1074 CB SER A 69 -3.082 11.198 7.191 1.00 0.00 C ATOM 1075 OG SER A 69 -2.262 12.351 6.971 1.00 0.00 O ATOM 0 H SER A 69 -3.723 10.488 4.593 1.00 0.00 H new ATOM 0 HA SER A 69 -1.594 9.725 6.513 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.119 11.442 6.959 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.047 10.925 8.246 1.00 0.00 H new ATOM 0 HG SER A 69 -2.580 13.090 7.530 1.00 0.00 H new ATOM 1081 N TYR A 70 -3.442 7.682 5.919 1.00 0.00 N ATOM 1082 CA TYR A 70 -4.236 6.490 6.223 1.00 0.00 C ATOM 1083 C TYR A 70 -3.621 5.202 5.633 1.00 0.00 C ATOM 1084 O TYR A 70 -4.189 4.132 5.788 1.00 0.00 O ATOM 1085 CB TYR A 70 -5.689 6.666 5.677 1.00 0.00 C ATOM 1086 CG TYR A 70 -5.817 6.731 4.141 1.00 0.00 C ATOM 1087 CD1 TYR A 70 -4.905 7.423 3.374 1.00 0.00 C ATOM 1088 CD2 TYR A 70 -6.863 6.105 3.477 1.00 0.00 C ATOM 1089 CE1 TYR A 70 -5.007 7.488 2.026 1.00 0.00 C ATOM 1090 CE2 TYR A 70 -6.970 6.170 2.092 1.00 0.00 C ATOM 1091 CZ TYR A 70 -6.021 6.868 1.385 1.00 0.00 C ATOM 1092 OH TYR A 70 -6.081 6.951 0.022 1.00 0.00 O ATOM 0 H TYR A 70 -2.888 7.623 5.065 1.00 0.00 H new ATOM 0 HA TYR A 70 -4.248 6.383 7.308 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -6.298 5.838 6.040 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.109 7.579 6.098 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -4.085 7.928 3.863 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.604 5.560 4.044 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -4.272 8.040 1.459 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.785 5.680 1.581 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.983 7.222 -0.250 1.00 0.00 H new ATOM 1102 N ALA A 71 -2.458 5.297 4.978 1.00 0.00 N ATOM 1103 CA ALA A 71 -1.952 4.152 4.228 1.00 0.00 C ATOM 1104 C ALA A 71 -0.956 3.192 4.908 1.00 0.00 C ATOM 1105 O ALA A 71 -0.970 1.997 4.638 1.00 0.00 O ATOM 1106 CB ALA A 71 -1.306 4.638 3.025 1.00 0.00 C ATOM 0 H ALA A 71 -1.868 6.129 4.953 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.850 3.553 4.077 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.922 3.794 2.452 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.028 5.188 2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.482 5.298 3.296 1.00 0.00 H new ATOM 1112 N TRP A 72 -0.086 3.648 5.756 1.00 0.00 N ATOM 1113 CA TRP A 72 0.975 2.748 6.136 1.00 0.00 C ATOM 1114 C TRP A 72 0.597 1.723 7.232 1.00 0.00 C ATOM 1115 O TRP A 72 1.211 0.630 7.384 1.00 0.00 O ATOM 1116 CB TRP A 72 2.390 3.408 6.157 1.00 0.00 C ATOM 1117 CG TRP A 72 2.919 3.673 4.710 1.00 0.00 C ATOM 1118 CD1 TRP A 72 3.385 2.725 3.844 1.00 0.00 C ATOM 1119 CD2 TRP A 72 3.027 4.934 3.970 1.00 0.00 C ATOM 1120 NE1 TRP A 72 3.760 3.283 2.643 1.00 0.00 N ATOM 1121 CE2 TRP A 72 3.550 4.626 2.683 1.00 0.00 C ATOM 1122 CE3 TRP A 72 2.737 6.261 4.251 1.00 0.00 C ATOM 1123 CZ2 TRP A 72 3.775 5.611 1.689 1.00 0.00 C ATOM 1124 CZ3 TRP A 72 2.966 7.218 3.284 1.00 0.00 C ATOM 1125 CH2 TRP A 72 3.482 6.869 2.007 1.00 0.00 C ATOM 0 H TRP A 72 -0.077 4.576 6.179 1.00 0.00 H new ATOM 0 HA TRP A 72 1.108 2.053 5.307 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.346 4.348 6.708 1.00 0.00 H new ATOM 0 HB3 TRP A 72 3.087 2.760 6.688 1.00 0.00 H new ATOM 0 HD1 TRP A 72 3.451 1.672 4.073 1.00 0.00 H new ATOM 0 HE1 TRP A 72 4.137 2.769 1.847 1.00 0.00 H new ATOM 0 HE3 TRP A 72 2.337 6.541 5.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 4.167 5.352 0.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 2.749 8.253 3.502 1.00 0.00 H new ATOM 0 HH2 TRP A 72 3.641 7.646 1.274 1.00 0.00 H new ATOM 1136 N GLU A 73 -0.482 1.992 7.919 1.00 0.00 N ATOM 1137 CA GLU A 73 -1.033 0.980 8.778 1.00 0.00 C ATOM 1138 C GLU A 73 -1.692 -0.059 7.853 1.00 0.00 C ATOM 1139 O GLU A 73 -1.681 -1.285 8.132 1.00 0.00 O ATOM 1140 CB GLU A 73 -2.018 1.571 9.782 1.00 0.00 C ATOM 1141 CG GLU A 73 -2.470 0.594 10.847 1.00 0.00 C ATOM 1142 CD GLU A 73 -3.373 1.233 11.854 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -4.593 1.244 11.651 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -2.869 1.752 12.884 1.00 0.00 O ATOM 0 H GLU A 73 -0.985 2.879 7.903 1.00 0.00 H new ATOM 0 HA GLU A 73 -0.258 0.512 9.385 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.556 2.432 10.265 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.893 1.938 9.245 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.988 -0.241 10.375 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -1.597 0.182 11.354 1.00 0.00 H new ATOM 1151 N ILE A 74 -2.173 0.437 6.676 1.00 0.00 N ATOM 1152 CA ILE A 74 -2.691 -0.443 5.658 1.00 0.00 C ATOM 1153 C ILE A 74 -1.559 -1.398 5.197 1.00 0.00 C ATOM 1154 O ILE A 74 -1.786 -2.626 5.043 1.00 0.00 O ATOM 1155 CB ILE A 74 -3.295 0.255 4.361 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -4.532 1.093 4.591 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -3.675 -0.832 3.432 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -4.835 2.050 3.456 1.00 0.00 C ATOM 0 H ILE A 74 -2.201 1.428 6.438 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.527 -0.953 6.136 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.530 0.936 3.988 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.387 0.432 4.736 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.409 1.662 5.512 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.096 -0.403 2.523 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.793 -1.421 3.180 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.416 -1.474 3.907 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.735 2.618 3.690 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.998 2.735 3.324 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.990 1.486 2.536 1.00 0.00 H new ATOM 1170 N LYS A 75 -0.308 -0.848 5.017 1.00 0.00 N ATOM 1171 CA LYS A 75 0.787 -1.693 4.539 1.00 0.00 C ATOM 1172 C LYS A 75 1.031 -2.792 5.522 1.00 0.00 C ATOM 1173 O LYS A 75 1.227 -3.946 5.117 1.00 0.00 O ATOM 1174 CB LYS A 75 2.135 -0.960 4.241 1.00 0.00 C ATOM 1175 CG LYS A 75 2.954 -0.559 5.459 1.00 0.00 C ATOM 1176 CD LYS A 75 4.355 -0.119 5.120 1.00 0.00 C ATOM 1177 CE LYS A 75 5.048 0.435 6.353 1.00 0.00 C ATOM 1178 NZ LYS A 75 6.418 0.863 6.069 1.00 0.00 N ATOM 0 H LYS A 75 -0.065 0.127 5.192 1.00 0.00 H new ATOM 0 HA LYS A 75 0.450 -2.071 3.574 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.747 -1.606 3.612 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.918 -0.063 3.661 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.443 0.250 5.981 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.003 -1.402 6.148 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.922 -0.961 4.724 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.326 0.641 4.339 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.478 1.279 6.740 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.061 -0.326 7.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.853 1.234 6.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.971 0.052 5.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.406 1.607 5.343 1.00 0.00 H new ATOM 1192 N ASP A 76 0.986 -2.439 6.830 1.00 0.00 N ATOM 1193 CA ASP A 76 1.173 -3.456 7.870 1.00 0.00 C ATOM 1194 C ASP A 76 0.172 -4.595 7.693 1.00 0.00 C ATOM 1195 O ASP A 76 0.587 -5.790 7.571 1.00 0.00 O ATOM 1196 CB ASP A 76 1.066 -2.880 9.288 1.00 0.00 C ATOM 1197 CG ASP A 76 1.341 -3.931 10.364 1.00 0.00 C ATOM 1198 OD1 ASP A 76 2.522 -4.138 10.728 1.00 0.00 O ATOM 1199 OD2 ASP A 76 0.388 -4.556 10.880 1.00 0.00 O ATOM 0 H ASP A 76 0.827 -1.491 7.172 1.00 0.00 H new ATOM 0 HA ASP A 76 2.186 -3.840 7.752 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.773 -2.057 9.398 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.069 -2.465 9.435 1.00 0.00 H new ATOM 1204 N PHE A 77 -1.140 -4.238 7.586 1.00 0.00 N ATOM 1205 CA PHE A 77 -2.186 -5.271 7.447 1.00 0.00 C ATOM 1206 C PHE A 77 -1.870 -6.181 6.267 1.00 0.00 C ATOM 1207 O PHE A 77 -1.898 -7.379 6.389 1.00 0.00 O ATOM 1208 CB PHE A 77 -3.615 -4.730 7.197 1.00 0.00 C ATOM 1209 CG PHE A 77 -4.112 -3.605 8.044 1.00 0.00 C ATOM 1210 CD1 PHE A 77 -3.901 -3.583 9.408 1.00 0.00 C ATOM 1211 CD2 PHE A 77 -4.819 -2.556 7.452 1.00 0.00 C ATOM 1212 CE1 PHE A 77 -4.376 -2.543 10.174 1.00 0.00 C ATOM 1213 CE2 PHE A 77 -5.296 -1.517 8.219 1.00 0.00 C ATOM 1214 CZ PHE A 77 -5.075 -1.511 9.579 1.00 0.00 C ATOM 0 H PHE A 77 -1.481 -3.277 7.594 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.178 -5.786 8.408 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.671 -4.410 6.156 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.309 -5.563 7.312 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -3.358 -4.389 9.878 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -4.993 -2.560 6.386 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.202 -2.534 11.240 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -5.842 -0.709 7.756 1.00 0.00 H new ATOM 0 HZ PHE A 77 -5.450 -0.697 10.182 1.00 0.00 H new ATOM 1224 N LEU A 78 -1.537 -5.605 5.138 1.00 0.00 N ATOM 1225 CA LEU A 78 -1.309 -6.390 3.929 1.00 0.00 C ATOM 1226 C LEU A 78 -0.150 -7.344 4.015 1.00 0.00 C ATOM 1227 O LEU A 78 -0.325 -8.600 3.797 1.00 0.00 O ATOM 1228 CB LEU A 78 -1.276 -5.522 2.694 1.00 0.00 C ATOM 1229 CG LEU A 78 -2.615 -4.862 2.387 1.00 0.00 C ATOM 1230 CD1 LEU A 78 -2.656 -4.455 0.952 1.00 0.00 C ATOM 1231 CD2 LEU A 78 -3.737 -5.835 2.675 1.00 0.00 C ATOM 0 H LEU A 78 -1.416 -4.599 5.021 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.177 -7.042 3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.518 -4.749 2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.973 -6.128 1.840 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.735 -3.978 3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -3.614 -3.983 0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.850 -3.749 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.533 -5.335 0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -4.694 -5.362 2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.619 -6.722 2.052 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -3.708 -6.123 3.726 1.00 0.00 H new ATOM 1243 N VAL A 79 1.000 -6.846 4.413 1.00 0.00 N ATOM 1244 CA VAL A 79 2.161 -7.707 4.538 1.00 0.00 C ATOM 1245 C VAL A 79 2.050 -8.650 5.711 1.00 0.00 C ATOM 1246 O VAL A 79 2.864 -9.539 5.894 1.00 0.00 O ATOM 1247 CB VAL A 79 3.515 -6.972 4.474 1.00 0.00 C ATOM 1248 CG1 VAL A 79 3.686 -6.384 3.088 1.00 0.00 C ATOM 1249 CG2 VAL A 79 3.617 -5.885 5.529 1.00 0.00 C ATOM 0 H VAL A 79 1.158 -5.867 4.653 1.00 0.00 H new ATOM 0 HA VAL A 79 2.155 -8.323 3.639 1.00 0.00 H new ATOM 0 HB VAL A 79 4.311 -7.688 4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.641 -5.861 3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.665 -7.184 2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.876 -5.683 2.888 1.00 0.00 H new ATOM 0 HG21 VAL A 79 4.586 -5.391 5.450 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.823 -5.154 5.376 1.00 0.00 H new ATOM 0 HG23 VAL A 79 3.515 -6.329 6.519 1.00 0.00 H new ATOM 1259 N SER A 80 1.024 -8.451 6.480 1.00 0.00 N ATOM 1260 CA SER A 80 0.673 -9.382 7.524 1.00 0.00 C ATOM 1261 C SER A 80 -0.639 -10.121 7.164 1.00 0.00 C ATOM 1262 O SER A 80 -1.127 -10.938 7.938 1.00 0.00 O ATOM 1263 CB SER A 80 0.504 -8.641 8.842 1.00 0.00 C ATOM 1264 OG SER A 80 1.626 -7.796 9.087 1.00 0.00 O ATOM 0 H SER A 80 0.404 -7.644 6.408 1.00 0.00 H new ATOM 0 HA SER A 80 1.473 -10.115 7.625 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.409 -8.046 8.817 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.395 -9.357 9.657 1.00 0.00 H new ATOM 0 HG SER A 80 1.494 -6.937 8.633 1.00 0.00 H new ATOM 1270 N GLN A 81 -1.218 -9.818 5.981 1.00 0.00 N ATOM 1271 CA GLN A 81 -2.464 -10.406 5.590 1.00 0.00 C ATOM 1272 C GLN A 81 -2.125 -11.669 4.900 1.00 0.00 C ATOM 1273 O GLN A 81 -2.807 -12.680 5.057 1.00 0.00 O ATOM 1274 CB GLN A 81 -3.199 -9.467 4.619 1.00 0.00 C ATOM 1275 CG GLN A 81 -4.711 -9.605 4.569 1.00 0.00 C ATOM 1276 CD GLN A 81 -5.402 -9.129 5.844 1.00 0.00 C ATOM 1277 OE1 GLN A 81 -6.470 -9.607 6.201 1.00 0.00 O ATOM 1278 NE2 GLN A 81 -4.802 -8.206 6.546 1.00 0.00 N ATOM 0 H GLN A 81 -0.823 -9.169 5.300 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.111 -10.580 6.450 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -2.957 -8.439 4.888 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.806 -9.635 3.616 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.093 -9.035 3.722 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.968 -10.649 4.393 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -3.912 -7.822 6.229 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -5.223 -7.869 7.412 1.00 0.00 H new ATOM 1287 N ASP A 82 -1.031 -11.632 4.147 1.00 0.00 N ATOM 1288 CA ASP A 82 -0.617 -12.879 3.471 1.00 0.00 C ATOM 1289 C ASP A 82 0.908 -13.183 3.369 1.00 0.00 C ATOM 1290 O ASP A 82 1.487 -13.686 4.331 1.00 0.00 O ATOM 1291 CB ASP A 82 -1.477 -13.256 2.212 1.00 0.00 C ATOM 1292 CG ASP A 82 -0.864 -14.363 1.371 1.00 0.00 C ATOM 1293 OD1 ASP A 82 -0.727 -15.494 1.857 1.00 0.00 O ATOM 1294 OD2 ASP A 82 -0.514 -14.117 0.208 1.00 0.00 O ATOM 0 H ASP A 82 -0.441 -10.815 3.988 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.892 -13.624 4.218 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -2.470 -13.566 2.539 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.608 -12.369 1.592 1.00 0.00 H new ATOM 1299 N ARG A 83 1.555 -12.866 2.253 1.00 0.00 N ATOM 1300 CA ARG A 83 2.986 -13.214 2.004 1.00 0.00 C ATOM 1301 C ARG A 83 3.559 -12.099 1.176 1.00 0.00 C ATOM 1302 O ARG A 83 4.443 -12.261 0.349 1.00 0.00 O ATOM 1303 CB ARG A 83 3.062 -14.553 1.246 1.00 0.00 C ATOM 1304 CG ARG A 83 2.720 -15.770 2.099 1.00 0.00 C ATOM 1305 CD ARG A 83 2.523 -17.023 1.266 1.00 0.00 C ATOM 1306 NE ARG A 83 1.299 -16.959 0.453 1.00 0.00 N ATOM 1307 CZ ARG A 83 0.908 -17.880 -0.443 1.00 0.00 C ATOM 1308 NH1 ARG A 83 1.665 -18.948 -0.691 1.00 0.00 N ATOM 1309 NH2 ARG A 83 -0.240 -17.727 -1.091 1.00 0.00 N ATOM 0 H ARG A 83 1.119 -12.360 1.482 1.00 0.00 H new ATOM 0 HA ARG A 83 3.545 -13.326 2.933 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.382 -14.516 0.395 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.068 -14.675 0.845 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.518 -15.939 2.822 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.812 -15.568 2.667 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.385 -17.163 0.613 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.476 -17.891 1.923 1.00 0.00 H new ATOM 0 HE ARG A 83 0.696 -16.146 0.580 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.550 -19.071 -0.199 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.360 -19.642 -1.373 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.824 -16.911 -0.908 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.538 -18.426 -1.772 1.00 0.00 H new ATOM 1323 N CYS A 84 3.138 -10.962 1.579 1.00 0.00 N ATOM 1324 CA CYS A 84 3.203 -9.695 0.898 1.00 0.00 C ATOM 1325 C CYS A 84 4.556 -8.977 0.959 1.00 0.00 C ATOM 1326 O CYS A 84 4.646 -7.827 0.603 1.00 0.00 O ATOM 1327 CB CYS A 84 2.120 -8.949 1.558 1.00 0.00 C ATOM 1328 SG CYS A 84 0.602 -9.889 1.479 1.00 0.00 S ATOM 0 H CYS A 84 2.689 -10.869 2.490 1.00 0.00 H new ATOM 0 HA CYS A 84 3.089 -9.802 -0.181 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.383 -8.752 2.597 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.985 -7.982 1.074 1.00 0.00 H new ATOM 0 HG CYS A 84 -0.293 -9.213 0.821 1.00 0.00 H new ATOM 1334 N ALA A 85 5.546 -9.701 1.403 1.00 0.00 N ATOM 1335 CA ALA A 85 6.977 -9.378 1.463 1.00 0.00 C ATOM 1336 C ALA A 85 7.484 -7.905 1.629 1.00 0.00 C ATOM 1337 O ALA A 85 8.184 -7.619 2.612 1.00 0.00 O ATOM 1338 CB ALA A 85 7.721 -10.158 0.405 1.00 0.00 C ATOM 0 H ALA A 85 5.369 -10.634 1.775 1.00 0.00 H new ATOM 0 HA ALA A 85 7.229 -9.702 2.473 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.783 -9.915 0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.585 -11.226 0.577 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.333 -9.897 -0.580 1.00 0.00 H new ATOM 1344 N GLU A 86 7.155 -6.988 0.730 1.00 0.00 N ATOM 1345 CA GLU A 86 7.798 -5.683 0.730 1.00 0.00 C ATOM 1346 C GLU A 86 6.837 -4.583 0.304 1.00 0.00 C ATOM 1347 O GLU A 86 6.153 -4.719 -0.682 1.00 0.00 O ATOM 1348 CB GLU A 86 8.982 -5.724 -0.258 1.00 0.00 C ATOM 1349 CG GLU A 86 9.714 -4.405 -0.429 1.00 0.00 C ATOM 1350 CD GLU A 86 10.501 -3.997 0.804 1.00 0.00 C ATOM 1351 OE1 GLU A 86 9.896 -3.637 1.831 1.00 0.00 O ATOM 1352 OE2 GLU A 86 11.750 -4.057 0.775 1.00 0.00 O ATOM 0 H GLU A 86 6.455 -7.121 -0.000 1.00 0.00 H new ATOM 0 HA GLU A 86 8.135 -5.462 1.743 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.694 -6.477 0.080 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.614 -6.048 -1.231 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.393 -4.481 -1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.992 -3.624 -0.667 1.00 0.00 H new ATOM 1359 N VAL A 87 6.796 -3.508 1.051 1.00 0.00 N ATOM 1360 CA VAL A 87 6.025 -2.335 0.686 1.00 0.00 C ATOM 1361 C VAL A 87 7.007 -1.206 0.421 1.00 0.00 C ATOM 1362 O VAL A 87 7.618 -0.685 1.360 1.00 0.00 O ATOM 1363 CB VAL A 87 5.076 -1.883 1.829 1.00 0.00 C ATOM 1364 CG1 VAL A 87 4.215 -0.690 1.395 1.00 0.00 C ATOM 1365 CG2 VAL A 87 4.206 -3.026 2.300 1.00 0.00 C ATOM 0 H VAL A 87 7.297 -3.417 1.935 1.00 0.00 H new ATOM 0 HA VAL A 87 5.417 -2.577 -0.186 1.00 0.00 H new ATOM 0 HB VAL A 87 5.698 -1.564 2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.561 -0.396 2.216 1.00 0.00 H new ATOM 0 HG12 VAL A 87 4.861 0.147 1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.611 -0.972 0.533 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.552 -2.680 3.100 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.601 -3.389 1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 87 4.836 -3.834 2.671 1.00 0.00 H new ATOM 1375 N THR A 88 7.206 -0.854 -0.818 1.00 0.00 N ATOM 1376 CA THR A 88 8.107 0.214 -1.124 1.00 0.00 C ATOM 1377 C THR A 88 7.443 1.367 -1.825 1.00 0.00 C ATOM 1378 O THR A 88 6.396 1.185 -2.561 1.00 0.00 O ATOM 1379 CB THR A 88 9.374 -0.217 -1.863 1.00 0.00 C ATOM 1380 OG1 THR A 88 9.077 -1.116 -2.946 1.00 0.00 O ATOM 1381 CG2 THR A 88 10.380 -0.831 -0.918 1.00 0.00 C ATOM 0 H THR A 88 6.759 -1.289 -1.625 1.00 0.00 H new ATOM 0 HA THR A 88 8.430 0.563 -0.143 1.00 0.00 H new ATOM 0 HB THR A 88 9.817 0.682 -2.290 1.00 0.00 H new ATOM 0 HG1 THR A 88 9.909 -1.370 -3.398 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.269 -1.127 -1.475 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.655 -0.102 -0.156 1.00 0.00 H new ATOM 0 HG23 THR A 88 9.943 -1.708 -0.441 1.00 0.00 H new ATOM 1389 N LEU A 89 7.988 2.556 -1.504 1.00 0.00 N ATOM 1390 CA LEU A 89 7.585 3.848 -2.000 1.00 0.00 C ATOM 1391 C LEU A 89 8.603 4.884 -2.389 1.00 0.00 C ATOM 1392 O LEU A 89 9.766 4.890 -1.964 1.00 0.00 O ATOM 1393 CB LEU A 89 6.230 4.422 -1.571 1.00 0.00 C ATOM 1394 CG LEU A 89 5.096 3.990 -2.380 1.00 0.00 C ATOM 1395 CD1 LEU A 89 4.042 5.017 -2.342 1.00 0.00 C ATOM 1396 CD2 LEU A 89 5.570 3.748 -3.739 1.00 0.00 C ATOM 0 H LEU A 89 8.768 2.623 -0.850 1.00 0.00 H new ATOM 0 HA LEU A 89 7.391 3.402 -2.975 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.045 4.142 -0.534 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.286 5.510 -1.602 1.00 0.00 H new ATOM 0 HG LEU A 89 4.666 3.068 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.196 4.692 -2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.716 5.166 -1.313 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.433 5.954 -2.738 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.737 3.423 -4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.992 4.667 -4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.336 2.973 -3.725 1.00 0.00 H new