USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 759 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 51 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 69 ASN : amide:sc= -0.291 X(o=-0.29,f=-0.49) USER MOD Single : A 19 LYS NZ :NH3+ -145:sc= 1.11 (180deg=0.257) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -130:sc= -0.0776 (180deg=-5.62!) USER MOD Single : A 26 MET CE :methyl -160:sc= -2.41 (180deg=-3.72!) USER MOD Single : A 27 SER OG : rot 47:sc= 0.278 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.307 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0168 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 154:sc= 0.0882 (180deg=0) USER MOD Single : A 40 HIS : no HE2:sc= -0.579 K(o=-0.58,f=-1.3) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0758 USER MOD Single : A 59 THR OG1 : rot -129:sc= 1.21 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0294 USER MOD Single : A 76 ASN : amide:sc= -0.081 X(o=-0.081,f=0) USER MOD Single : A 78 GLN : amide:sc= -0.0922 X(o=-0.092,f=0.18!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 87 SER OG : rot -56:sc= 0.923 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.023 X(o=-0.023,f=0) USER MOD Single : A 98 MET CE :methyl 164:sc= -1.42 (180deg=-1.63) USER MOD Single : A 104 ASN : amide:sc= -0.998 X(o=-1,f=-1) USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 255 N LYS A 19 12.214 -20.109 15.561 1.00 0.00 N ATOM 256 CA LYS A 19 11.214 -19.316 16.266 1.00 0.00 C ATOM 257 C LYS A 19 10.485 -18.382 15.305 1.00 0.00 C ATOM 258 O LYS A 19 10.931 -18.161 14.180 1.00 0.00 O ATOM 259 CB LYS A 19 11.872 -18.503 17.383 1.00 0.00 C ATOM 260 CG LYS A 19 11.865 -19.204 18.730 1.00 0.00 C ATOM 261 CD LYS A 19 12.924 -20.292 18.799 1.00 0.00 C ATOM 262 CE LYS A 19 13.712 -20.222 20.097 1.00 0.00 C ATOM 263 NZ LYS A 19 14.896 -21.125 20.077 1.00 0.00 N ATOM 0 HA LYS A 19 10.486 -20.000 16.703 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.902 -18.283 17.103 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.356 -17.547 17.477 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.039 -18.475 19.521 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.882 -19.640 18.909 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.449 -21.269 18.713 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.605 -20.193 17.953 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.040 -19.197 20.268 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.064 -20.492 20.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.051 -21.516 21.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.729 -21.902 19.407 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.737 -20.589 19.782 1.00 0.00 H new ATOM 277 N TYR A 20 9.361 -17.836 15.758 1.00 0.00 N ATOM 278 CA TYR A 20 8.570 -16.926 14.938 1.00 0.00 C ATOM 279 C TYR A 20 7.840 -15.906 15.806 1.00 0.00 C ATOM 280 O TYR A 20 7.506 -16.181 16.959 1.00 0.00 O ATOM 281 CB TYR A 20 7.562 -17.711 14.096 1.00 0.00 C ATOM 282 CG TYR A 20 6.174 -17.750 14.694 1.00 0.00 C ATOM 283 CD1 TYR A 20 5.863 -18.632 15.721 1.00 0.00 C ATOM 284 CD2 TYR A 20 5.173 -16.903 14.233 1.00 0.00 C ATOM 285 CE1 TYR A 20 4.595 -18.671 16.270 1.00 0.00 C ATOM 286 CE2 TYR A 20 3.904 -16.934 14.777 1.00 0.00 C ATOM 287 CZ TYR A 20 3.620 -17.820 15.795 1.00 0.00 C ATOM 288 OH TYR A 20 2.356 -17.855 16.339 1.00 0.00 O ATOM 0 H TYR A 20 8.978 -18.008 16.688 1.00 0.00 H new ATOM 0 HA TYR A 20 9.249 -16.391 14.274 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.508 -17.267 13.102 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.923 -18.732 13.970 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.625 -19.299 16.097 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.391 -16.208 13.435 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.369 -19.364 17.067 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.138 -16.268 14.407 1.00 0.00 H new ATOM 0 HH TYR A 20 1.789 -17.192 15.893 1.00 0.00 H new ATOM 298 N ILE A 21 7.594 -14.728 15.243 1.00 0.00 N ATOM 299 CA ILE A 21 6.902 -13.667 15.964 1.00 0.00 C ATOM 300 C ILE A 21 6.076 -12.805 15.015 1.00 0.00 C ATOM 301 O ILE A 21 5.663 -11.700 15.363 1.00 0.00 O ATOM 302 CB ILE A 21 7.892 -12.766 16.727 1.00 0.00 C ATOM 303 CG1 ILE A 21 8.930 -12.184 15.766 1.00 0.00 C ATOM 304 CG2 ILE A 21 8.573 -13.550 17.839 1.00 0.00 C ATOM 305 CD1 ILE A 21 9.764 -11.079 16.375 1.00 0.00 C ATOM 0 H ILE A 21 7.864 -14.484 14.290 1.00 0.00 H new ATOM 0 HA ILE A 21 6.239 -14.153 16.680 1.00 0.00 H new ATOM 0 HB ILE A 21 7.338 -11.942 17.177 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.590 -12.983 15.430 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.420 -11.799 14.883 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.269 -12.900 18.369 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.821 -13.921 18.536 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.117 -14.392 17.410 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.478 -10.714 15.637 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.114 -10.262 16.686 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.302 -11.464 17.241 1.00 0.00 H new ATOM 317 N GLY A 22 5.838 -13.321 13.813 1.00 0.00 N ATOM 318 CA GLY A 22 5.060 -12.586 12.832 1.00 0.00 C ATOM 319 C GLY A 22 5.530 -11.153 12.675 1.00 0.00 C ATOM 320 O GLY A 22 4.914 -10.230 13.208 1.00 0.00 O ATOM 0 H GLY A 22 6.170 -14.234 13.501 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.122 -13.093 11.869 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.011 -12.591 13.127 1.00 0.00 H new ATOM 324 N ILE A 23 6.623 -10.968 11.942 1.00 0.00 N ATOM 325 CA ILE A 23 7.174 -9.637 11.718 1.00 0.00 C ATOM 326 C ILE A 23 7.893 -9.559 10.375 1.00 0.00 C ATOM 327 O ILE A 23 8.644 -10.463 10.008 1.00 0.00 O ATOM 328 CB ILE A 23 8.155 -9.238 12.836 1.00 0.00 C ATOM 329 CG1 ILE A 23 9.363 -10.177 12.844 1.00 0.00 C ATOM 330 CG2 ILE A 23 7.454 -9.256 14.187 1.00 0.00 C ATOM 331 CD1 ILE A 23 10.614 -9.557 12.261 1.00 0.00 C ATOM 0 H ILE A 23 7.144 -11.722 11.494 1.00 0.00 H new ATOM 0 HA ILE A 23 6.333 -8.943 11.719 1.00 0.00 H new ATOM 0 HB ILE A 23 8.508 -8.225 12.645 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.565 -10.487 13.869 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.117 -11.077 12.281 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.160 -8.972 14.967 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.623 -8.551 14.175 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.076 -10.259 14.387 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.430 -10.279 12.299 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.430 -9.272 11.225 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.885 -8.673 12.838 1.00 0.00 H new ATOM 343 N ARG A 24 7.658 -8.472 9.647 1.00 0.00 N ATOM 344 CA ARG A 24 8.284 -8.276 8.345 1.00 0.00 C ATOM 345 C ARG A 24 9.310 -7.147 8.399 1.00 0.00 C ATOM 346 O ARG A 24 9.026 -6.061 8.904 1.00 0.00 O ATOM 347 CB ARG A 24 7.223 -7.964 7.288 1.00 0.00 C ATOM 348 CG ARG A 24 6.283 -9.125 7.008 1.00 0.00 C ATOM 349 CD ARG A 24 5.628 -8.995 5.641 1.00 0.00 C ATOM 350 NE ARG A 24 5.590 -10.270 4.930 1.00 0.00 N ATOM 351 CZ ARG A 24 4.839 -11.299 5.306 1.00 0.00 C ATOM 352 NH1 ARG A 24 4.068 -11.204 6.381 1.00 0.00 N ATOM 353 NH2 ARG A 24 4.858 -12.427 4.606 1.00 0.00 N ATOM 0 H ARG A 24 7.039 -7.714 9.936 1.00 0.00 H new ATOM 0 HA ARG A 24 8.798 -9.198 8.074 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.638 -7.105 7.615 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.719 -7.677 6.361 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.836 -10.063 7.060 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.514 -9.166 7.779 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.613 -8.616 5.760 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.174 -8.264 5.045 1.00 0.00 H new ATOM 0 HE ARG A 24 6.172 -10.376 4.099 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.051 -10.339 6.921 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.492 -11.996 6.667 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.450 -12.504 3.779 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.281 -13.217 4.896 1.00 0.00 H new ATOM 367 N MET A 25 10.502 -7.413 7.877 1.00 0.00 N ATOM 368 CA MET A 25 11.570 -6.420 7.866 1.00 0.00 C ATOM 369 C MET A 25 12.373 -6.500 6.571 1.00 0.00 C ATOM 370 O MET A 25 12.420 -7.544 5.922 1.00 0.00 O ATOM 371 CB MET A 25 12.496 -6.621 9.067 1.00 0.00 C ATOM 372 CG MET A 25 11.754 -6.853 10.373 1.00 0.00 C ATOM 373 SD MET A 25 12.847 -6.824 11.807 1.00 0.00 S ATOM 374 CE MET A 25 13.674 -8.404 11.634 1.00 0.00 C ATOM 0 H MET A 25 10.753 -8.307 7.456 1.00 0.00 H new ATOM 0 HA MET A 25 11.114 -5.432 7.930 1.00 0.00 H new ATOM 0 HB2 MET A 25 13.149 -7.472 8.874 1.00 0.00 H new ATOM 0 HB3 MET A 25 13.136 -5.745 9.173 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.986 -6.089 10.491 1.00 0.00 H new ATOM 0 HG3 MET A 25 11.243 -7.815 10.330 1.00 0.00 H new ATOM 0 HE1 MET A 25 13.630 -8.943 12.580 1.00 0.00 H new ATOM 0 HE2 MET A 25 13.180 -8.990 10.859 1.00 0.00 H new ATOM 0 HE3 MET A 25 14.716 -8.241 11.357 1.00 0.00 H new ATOM 384 N MET A 26 13.003 -5.389 6.202 1.00 0.00 N ATOM 385 CA MET A 26 13.805 -5.335 4.985 1.00 0.00 C ATOM 386 C MET A 26 15.207 -4.812 5.280 1.00 0.00 C ATOM 387 O MET A 26 15.383 -3.913 6.103 1.00 0.00 O ATOM 388 CB MET A 26 13.126 -4.447 3.940 1.00 0.00 C ATOM 389 CG MET A 26 12.969 -3.001 4.381 1.00 0.00 C ATOM 390 SD MET A 26 13.823 -1.846 3.291 1.00 0.00 S ATOM 391 CE MET A 26 13.347 -0.280 4.018 1.00 0.00 C ATOM 0 H MET A 26 12.974 -4.515 6.728 1.00 0.00 H new ATOM 0 HA MET A 26 13.890 -6.348 4.591 1.00 0.00 H new ATOM 0 HB2 MET A 26 13.707 -4.476 3.018 1.00 0.00 H new ATOM 0 HB3 MET A 26 12.143 -4.857 3.710 1.00 0.00 H new ATOM 0 HG2 MET A 26 11.909 -2.748 4.413 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.354 -2.890 5.395 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.483 0.517 3.287 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.300 -0.322 4.319 1.00 0.00 H new ATOM 0 HE3 MET A 26 13.968 -0.081 4.892 1.00 0.00 H new ATOM 401 N SER A 27 16.201 -5.380 4.605 1.00 0.00 N ATOM 402 CA SER A 27 17.587 -4.973 4.798 1.00 0.00 C ATOM 403 C SER A 27 17.735 -3.461 4.654 1.00 0.00 C ATOM 404 O SER A 27 17.634 -2.918 3.553 1.00 0.00 O ATOM 405 CB SER A 27 18.495 -5.683 3.792 1.00 0.00 C ATOM 406 OG SER A 27 17.996 -5.551 2.473 1.00 0.00 O ATOM 0 H SER A 27 16.072 -6.124 3.919 1.00 0.00 H new ATOM 0 HA SER A 27 17.885 -5.256 5.808 1.00 0.00 H new ATOM 0 HB2 SER A 27 19.500 -5.266 3.847 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.574 -6.739 4.050 1.00 0.00 H new ATOM 0 HG SER A 27 17.745 -4.618 2.310 1.00 0.00 H new ATOM 412 N LEU A 28 17.975 -2.787 5.773 1.00 0.00 N ATOM 413 CA LEU A 28 18.137 -1.337 5.773 1.00 0.00 C ATOM 414 C LEU A 28 19.466 -0.938 5.139 1.00 0.00 C ATOM 415 O LEU A 28 20.518 -1.477 5.485 1.00 0.00 O ATOM 416 CB LEU A 28 18.056 -0.795 7.201 1.00 0.00 C ATOM 417 CG LEU A 28 16.972 0.251 7.462 1.00 0.00 C ATOM 418 CD1 LEU A 28 16.976 0.671 8.923 1.00 0.00 C ATOM 419 CD2 LEU A 28 17.167 1.459 6.557 1.00 0.00 C ATOM 0 H LEU A 28 18.062 -3.221 6.692 1.00 0.00 H new ATOM 0 HA LEU A 28 17.330 -0.905 5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.894 -1.634 7.878 1.00 0.00 H new ATOM 0 HB3 LEU A 28 19.022 -0.360 7.458 1.00 0.00 H new ATOM 0 HG LEU A 28 16.003 -0.194 7.236 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.198 1.416 9.090 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.786 -0.199 9.552 1.00 0.00 H new ATOM 0 HD13 LEU A 28 17.947 1.097 9.176 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.386 2.193 6.757 1.00 0.00 H new ATOM 0 HD22 LEU A 28 18.143 1.905 6.751 1.00 0.00 H new ATOM 0 HD23 LEU A 28 17.112 1.145 5.515 1.00 0.00 H new ATOM 431 N THR A 29 19.411 0.013 4.211 1.00 0.00 N ATOM 432 CA THR A 29 20.610 0.485 3.530 1.00 0.00 C ATOM 433 C THR A 29 20.900 1.942 3.875 1.00 0.00 C ATOM 434 O THR A 29 19.984 2.722 4.134 1.00 0.00 O ATOM 435 CB THR A 29 20.479 0.347 2.002 1.00 0.00 C ATOM 436 OG1 THR A 29 19.558 1.321 1.499 1.00 0.00 O ATOM 437 CG2 THR A 29 20.006 -1.048 1.623 1.00 0.00 C ATOM 0 H THR A 29 18.549 0.471 3.914 1.00 0.00 H new ATOM 0 HA THR A 29 21.435 -0.138 3.874 1.00 0.00 H new ATOM 0 HB THR A 29 21.461 0.513 1.559 1.00 0.00 H new ATOM 0 HG1 THR A 29 19.482 1.228 0.526 1.00 0.00 H new ATOM 0 HG21 THR A 29 19.921 -1.121 0.539 1.00 0.00 H new ATOM 0 HG22 THR A 29 20.724 -1.786 1.981 1.00 0.00 H new ATOM 0 HG23 THR A 29 19.033 -1.238 2.077 1.00 0.00 H new ATOM 445 N SER A 30 22.179 2.301 3.875 1.00 0.00 N ATOM 446 CA SER A 30 22.590 3.665 4.191 1.00 0.00 C ATOM 447 C SER A 30 21.845 4.672 3.320 1.00 0.00 C ATOM 448 O SER A 30 21.614 5.810 3.728 1.00 0.00 O ATOM 449 CB SER A 30 24.099 3.823 3.996 1.00 0.00 C ATOM 450 OG SER A 30 24.799 2.694 4.490 1.00 0.00 O ATOM 0 H SER A 30 22.949 1.667 3.660 1.00 0.00 H new ATOM 0 HA SER A 30 22.343 3.861 5.235 1.00 0.00 H new ATOM 0 HB2 SER A 30 24.320 3.957 2.937 1.00 0.00 H new ATOM 0 HB3 SER A 30 24.443 4.721 4.509 1.00 0.00 H new ATOM 0 HG SER A 30 25.761 2.819 4.352 1.00 0.00 H new ATOM 456 N SER A 31 21.472 4.244 2.118 1.00 0.00 N ATOM 457 CA SER A 31 20.756 5.108 1.187 1.00 0.00 C ATOM 458 C SER A 31 19.259 5.103 1.482 1.00 0.00 C ATOM 459 O SER A 31 18.564 6.091 1.244 1.00 0.00 O ATOM 460 CB SER A 31 21.005 4.658 -0.254 1.00 0.00 C ATOM 461 OG SER A 31 22.301 5.032 -0.688 1.00 0.00 O ATOM 0 H SER A 31 21.654 3.304 1.766 1.00 0.00 H new ATOM 0 HA SER A 31 21.130 6.124 1.313 1.00 0.00 H new ATOM 0 HB2 SER A 31 20.892 3.576 -0.325 1.00 0.00 H new ATOM 0 HB3 SER A 31 20.256 5.100 -0.911 1.00 0.00 H new ATOM 0 HG SER A 31 22.436 4.732 -1.611 1.00 0.00 H new ATOM 467 N LYS A 32 18.769 3.984 2.003 1.00 0.00 N ATOM 468 CA LYS A 32 17.355 3.847 2.333 1.00 0.00 C ATOM 469 C LYS A 32 17.021 4.603 3.615 1.00 0.00 C ATOM 470 O LYS A 32 16.044 5.351 3.669 1.00 0.00 O ATOM 471 CB LYS A 32 16.987 2.370 2.489 1.00 0.00 C ATOM 472 CG LYS A 32 15.498 2.131 2.672 1.00 0.00 C ATOM 473 CD LYS A 32 14.723 2.438 1.402 1.00 0.00 C ATOM 474 CE LYS A 32 13.231 2.547 1.672 1.00 0.00 C ATOM 475 NZ LYS A 32 12.635 3.747 1.021 1.00 0.00 N ATOM 0 H LYS A 32 19.331 3.157 2.206 1.00 0.00 H new ATOM 0 HA LYS A 32 16.774 4.275 1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.329 1.824 1.610 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.521 1.960 3.346 1.00 0.00 H new ATOM 0 HG2 LYS A 32 15.328 1.094 2.961 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.126 2.754 3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 32 15.085 3.371 0.970 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.904 1.655 0.666 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.730 1.650 1.308 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.059 2.594 2.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.617 3.785 1.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.095 4.605 1.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 12.776 3.690 -0.008 1.00 0.00 H new ATOM 489 N ALA A 33 17.838 4.405 4.644 1.00 0.00 N ATOM 490 CA ALA A 33 17.630 5.070 5.924 1.00 0.00 C ATOM 491 C ALA A 33 17.694 6.586 5.772 1.00 0.00 C ATOM 492 O ALA A 33 16.810 7.306 6.236 1.00 0.00 O ATOM 493 CB ALA A 33 18.659 4.596 6.940 1.00 0.00 C ATOM 0 H ALA A 33 18.651 3.789 4.616 1.00 0.00 H new ATOM 0 HA ALA A 33 16.635 4.808 6.283 1.00 0.00 H new ATOM 0 HB1 ALA A 33 18.491 5.101 7.891 1.00 0.00 H new ATOM 0 HB2 ALA A 33 18.563 3.519 7.079 1.00 0.00 H new ATOM 0 HB3 ALA A 33 19.661 4.827 6.578 1.00 0.00 H new ATOM 499 N LYS A 34 18.748 7.066 5.119 1.00 0.00 N ATOM 500 CA LYS A 34 18.929 8.497 4.904 1.00 0.00 C ATOM 501 C LYS A 34 17.680 9.116 4.286 1.00 0.00 C ATOM 502 O LYS A 34 17.352 10.272 4.553 1.00 0.00 O ATOM 503 CB LYS A 34 20.137 8.748 4.000 1.00 0.00 C ATOM 504 CG LYS A 34 21.309 9.397 4.716 1.00 0.00 C ATOM 505 CD LYS A 34 22.637 8.963 4.120 1.00 0.00 C ATOM 506 CE LYS A 34 22.793 9.455 2.689 1.00 0.00 C ATOM 507 NZ LYS A 34 24.223 9.642 2.319 1.00 0.00 N ATOM 0 H LYS A 34 19.490 6.484 4.730 1.00 0.00 H new ATOM 0 HA LYS A 34 19.104 8.966 5.872 1.00 0.00 H new ATOM 0 HB2 LYS A 34 20.463 7.800 3.572 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.832 9.384 3.169 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.219 10.481 4.654 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.281 9.135 5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 34 23.454 9.349 4.730 1.00 0.00 H new ATOM 0 HD3 LYS A 34 22.709 7.876 4.142 1.00 0.00 H new ATOM 0 HE2 LYS A 34 22.332 8.740 2.007 1.00 0.00 H new ATOM 0 HE3 LYS A 34 22.261 10.399 2.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 24.286 9.978 1.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 24.657 10.343 2.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 24.726 8.736 2.408 1.00 0.00 H new ATOM 521 N GLU A 35 16.986 8.340 3.459 1.00 0.00 N ATOM 522 CA GLU A 35 15.773 8.814 2.804 1.00 0.00 C ATOM 523 C GLU A 35 14.548 8.559 3.678 1.00 0.00 C ATOM 524 O GLU A 35 13.541 9.262 3.576 1.00 0.00 O ATOM 525 CB GLU A 35 15.597 8.127 1.448 1.00 0.00 C ATOM 526 CG GLU A 35 16.575 8.608 0.391 1.00 0.00 C ATOM 527 CD GLU A 35 16.250 10.000 -0.115 1.00 0.00 C ATOM 528 OE1 GLU A 35 15.119 10.471 0.128 1.00 0.00 O ATOM 529 OE2 GLU A 35 17.126 10.619 -0.754 1.00 0.00 O ATOM 0 H GLU A 35 17.243 7.381 3.227 1.00 0.00 H new ATOM 0 HA GLU A 35 15.871 9.888 2.649 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.715 7.051 1.577 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.580 8.296 1.094 1.00 0.00 H new ATOM 0 HG2 GLU A 35 17.583 8.602 0.805 1.00 0.00 H new ATOM 0 HG3 GLU A 35 16.570 7.911 -0.447 1.00 0.00 H new ATOM 536 N LEU A 36 14.640 7.550 4.537 1.00 0.00 N ATOM 537 CA LEU A 36 13.540 7.201 5.429 1.00 0.00 C ATOM 538 C LEU A 36 13.259 8.331 6.414 1.00 0.00 C ATOM 539 O LEU A 36 12.113 8.563 6.799 1.00 0.00 O ATOM 540 CB LEU A 36 13.864 5.914 6.191 1.00 0.00 C ATOM 541 CG LEU A 36 13.466 4.609 5.501 1.00 0.00 C ATOM 542 CD1 LEU A 36 14.071 3.416 6.226 1.00 0.00 C ATOM 543 CD2 LEU A 36 11.951 4.481 5.434 1.00 0.00 C ATOM 0 H LEU A 36 15.465 6.959 4.635 1.00 0.00 H new ATOM 0 HA LEU A 36 12.649 7.042 4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 36 14.937 5.888 6.382 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.368 5.955 7.161 1.00 0.00 H new ATOM 0 HG LEU A 36 13.855 4.626 4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.777 2.496 5.721 1.00 0.00 H new ATOM 0 HD12 LEU A 36 15.158 3.501 6.222 1.00 0.00 H new ATOM 0 HD13 LEU A 36 13.712 3.395 7.255 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.686 3.546 4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.540 4.487 6.444 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.540 5.318 4.870 1.00 0.00 H new ATOM 555 N LYS A 37 14.312 9.033 6.818 1.00 0.00 N ATOM 556 CA LYS A 37 14.180 10.142 7.756 1.00 0.00 C ATOM 557 C LYS A 37 13.676 11.396 7.048 1.00 0.00 C ATOM 558 O LYS A 37 12.920 12.181 7.620 1.00 0.00 O ATOM 559 CB LYS A 37 15.523 10.429 8.431 1.00 0.00 C ATOM 560 CG LYS A 37 15.392 10.911 9.865 1.00 0.00 C ATOM 561 CD LYS A 37 16.727 10.878 10.589 1.00 0.00 C ATOM 562 CE LYS A 37 16.764 11.875 11.737 1.00 0.00 C ATOM 563 NZ LYS A 37 18.035 12.652 11.756 1.00 0.00 N ATOM 0 H LYS A 37 15.268 8.853 6.510 1.00 0.00 H new ATOM 0 HA LYS A 37 13.452 9.858 8.516 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.129 9.523 8.415 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.058 11.181 7.851 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.998 11.927 9.874 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.674 10.286 10.396 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.910 9.874 10.972 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.529 11.102 9.886 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.921 12.560 11.650 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.648 11.345 12.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.874 13.569 12.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.759 12.121 12.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.360 12.809 10.781 1.00 0.00 H new ATOM 577 N ASP A 38 14.098 11.576 5.801 1.00 0.00 N ATOM 578 CA ASP A 38 13.688 12.733 5.015 1.00 0.00 C ATOM 579 C ASP A 38 12.232 12.604 4.577 1.00 0.00 C ATOM 580 O ASP A 38 11.553 13.603 4.341 1.00 0.00 O ATOM 581 CB ASP A 38 14.589 12.889 3.789 1.00 0.00 C ATOM 582 CG ASP A 38 14.752 14.337 3.371 1.00 0.00 C ATOM 583 OD1 ASP A 38 13.826 14.876 2.728 1.00 0.00 O ATOM 584 OD2 ASP A 38 15.804 14.932 3.686 1.00 0.00 O ATOM 0 H ASP A 38 14.724 10.935 5.313 1.00 0.00 H new ATOM 0 HA ASP A 38 13.784 13.619 5.642 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.569 12.464 4.005 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.171 12.319 2.959 1.00 0.00 H new ATOM 589 N ARG A 39 11.759 11.366 4.470 1.00 0.00 N ATOM 590 CA ARG A 39 10.385 11.106 4.059 1.00 0.00 C ATOM 591 C ARG A 39 9.493 10.853 5.271 1.00 0.00 C ATOM 592 O ARG A 39 8.284 11.080 5.224 1.00 0.00 O ATOM 593 CB ARG A 39 10.332 9.905 3.114 1.00 0.00 C ATOM 594 CG ARG A 39 10.017 10.276 1.674 1.00 0.00 C ATOM 595 CD ARG A 39 9.482 9.084 0.895 1.00 0.00 C ATOM 596 NE ARG A 39 8.437 9.472 -0.049 1.00 0.00 N ATOM 597 CZ ARG A 39 7.184 9.729 0.308 1.00 0.00 C ATOM 598 NH1 ARG A 39 6.822 9.642 1.580 1.00 0.00 N ATOM 599 NH2 ARG A 39 6.290 10.076 -0.609 1.00 0.00 N ATOM 0 H ARG A 39 12.307 10.528 4.662 1.00 0.00 H new ATOM 0 HA ARG A 39 10.016 11.988 3.536 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.290 9.386 3.145 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.578 9.204 3.473 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.283 11.082 1.657 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.917 10.654 1.189 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.300 8.607 0.355 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.086 8.344 1.591 1.00 0.00 H new ATOM 0 HE ARG A 39 8.683 9.550 -1.036 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.507 9.377 2.288 1.00 0.00 H new ATOM 0 HH12 ARG A 39 5.859 9.840 1.851 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.565 10.145 -1.589 1.00 0.00 H new ATOM 0 HH22 ARG A 39 5.328 10.273 -0.334 1.00 0.00 H new ATOM 613 N HIS A 40 10.098 10.381 6.357 1.00 0.00 N ATOM 614 CA HIS A 40 9.359 10.097 7.582 1.00 0.00 C ATOM 615 C HIS A 40 9.979 10.825 8.771 1.00 0.00 C ATOM 616 O HIS A 40 10.941 10.345 9.372 1.00 0.00 O ATOM 617 CB HIS A 40 9.331 8.592 7.848 1.00 0.00 C ATOM 618 CG HIS A 40 8.980 7.777 6.641 1.00 0.00 C ATOM 619 ND1 HIS A 40 8.017 8.157 5.731 1.00 0.00 N ATOM 620 CD2 HIS A 40 9.471 6.597 6.197 1.00 0.00 C ATOM 621 CE1 HIS A 40 7.929 7.244 4.779 1.00 0.00 C ATOM 622 NE2 HIS A 40 8.802 6.287 5.038 1.00 0.00 N ATOM 0 H HIS A 40 11.098 10.187 6.413 1.00 0.00 H new ATOM 0 HA HIS A 40 8.337 10.454 7.452 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.308 8.278 8.217 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.610 8.384 8.639 1.00 0.00 H new ATOM 0 HD1 HIS A 40 7.459 9.009 5.784 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.245 6.008 6.667 1.00 0.00 H new ATOM 0 HE1 HIS A 40 7.258 7.275 3.934 1.00 0.00 H new ATOM 630 N ARG A 41 9.423 11.984 9.105 1.00 0.00 N ATOM 631 CA ARG A 41 9.923 12.778 10.221 1.00 0.00 C ATOM 632 C ARG A 41 9.862 11.985 11.523 1.00 0.00 C ATOM 633 O ARG A 41 10.620 12.246 12.457 1.00 0.00 O ATOM 634 CB ARG A 41 9.113 14.069 10.359 1.00 0.00 C ATOM 635 CG ARG A 41 9.705 15.056 11.352 1.00 0.00 C ATOM 636 CD ARG A 41 9.365 16.491 10.981 1.00 0.00 C ATOM 637 NE ARG A 41 10.266 17.449 11.616 1.00 0.00 N ATOM 638 CZ ARG A 41 10.212 17.766 12.904 1.00 0.00 C ATOM 639 NH1 ARG A 41 9.305 17.204 13.691 1.00 0.00 N ATOM 640 NH2 ARG A 41 11.067 18.647 13.409 1.00 0.00 N ATOM 0 H ARG A 41 8.626 12.395 8.619 1.00 0.00 H new ATOM 0 HA ARG A 41 10.964 13.030 10.018 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.040 14.548 9.383 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.098 13.820 10.668 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.328 14.838 12.351 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.788 14.935 11.386 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.417 16.607 9.898 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.338 16.708 11.276 1.00 0.00 H new ATOM 0 HE ARG A 41 10.976 17.899 11.038 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.646 16.526 13.307 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.266 17.449 14.680 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.767 19.081 12.807 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.024 18.890 14.399 1.00 0.00 H new ATOM 654 N ASP A 42 8.955 11.016 11.577 1.00 0.00 N ATOM 655 CA ASP A 42 8.795 10.183 12.764 1.00 0.00 C ATOM 656 C ASP A 42 10.045 9.345 13.012 1.00 0.00 C ATOM 657 O ASP A 42 10.377 9.028 14.155 1.00 0.00 O ATOM 658 CB ASP A 42 7.576 9.272 12.613 1.00 0.00 C ATOM 659 CG ASP A 42 6.342 10.026 12.159 1.00 0.00 C ATOM 660 OD1 ASP A 42 6.003 11.045 12.795 1.00 0.00 O ATOM 661 OD2 ASP A 42 5.715 9.596 11.168 1.00 0.00 O ATOM 0 H ASP A 42 8.319 10.788 10.813 1.00 0.00 H new ATOM 0 HA ASP A 42 8.644 10.839 13.621 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.802 8.484 11.894 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.370 8.785 13.566 1.00 0.00 H new ATOM 666 N PHE A 43 10.736 8.988 11.934 1.00 0.00 N ATOM 667 CA PHE A 43 11.948 8.184 12.034 1.00 0.00 C ATOM 668 C PHE A 43 12.929 8.801 13.027 1.00 0.00 C ATOM 669 O PHE A 43 13.116 10.017 13.079 1.00 0.00 O ATOM 670 CB PHE A 43 12.611 8.049 10.662 1.00 0.00 C ATOM 671 CG PHE A 43 13.097 6.660 10.365 1.00 0.00 C ATOM 672 CD1 PHE A 43 12.204 5.658 10.019 1.00 0.00 C ATOM 673 CD2 PHE A 43 14.447 6.355 10.431 1.00 0.00 C ATOM 674 CE1 PHE A 43 12.649 4.379 9.746 1.00 0.00 C ATOM 675 CE2 PHE A 43 14.898 5.077 10.158 1.00 0.00 C ATOM 676 CZ PHE A 43 13.997 4.088 9.814 1.00 0.00 C ATOM 0 H PHE A 43 10.477 9.243 10.981 1.00 0.00 H new ATOM 0 HA PHE A 43 11.668 7.194 12.393 1.00 0.00 H new ATOM 0 HB2 PHE A 43 11.899 8.349 9.893 1.00 0.00 H new ATOM 0 HB3 PHE A 43 13.452 8.740 10.604 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.149 5.880 9.962 1.00 0.00 H new ATOM 0 HD2 PHE A 43 15.155 7.125 10.699 1.00 0.00 H new ATOM 0 HE1 PHE A 43 11.943 3.607 9.479 1.00 0.00 H new ATOM 0 HE2 PHE A 43 15.953 4.852 10.214 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.346 3.089 9.599 1.00 0.00 H new ATOM 686 N PRO A 44 13.570 7.944 13.835 1.00 0.00 N ATOM 687 CA PRO A 44 14.543 8.381 14.841 1.00 0.00 C ATOM 688 C PRO A 44 15.830 8.906 14.214 1.00 0.00 C ATOM 689 O PRO A 44 15.906 9.100 13.000 1.00 0.00 O ATOM 690 CB PRO A 44 14.819 7.108 15.644 1.00 0.00 C ATOM 691 CG PRO A 44 14.518 5.993 14.703 1.00 0.00 C ATOM 692 CD PRO A 44 13.396 6.482 13.828 1.00 0.00 C ATOM 0 HA PRO A 44 14.164 9.207 15.443 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.854 7.071 15.983 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.190 7.057 16.533 1.00 0.00 H new ATOM 0 HG2 PRO A 44 15.394 5.737 14.108 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.227 5.093 15.245 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.466 6.074 12.820 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.423 6.191 14.223 1.00 0.00 H new ATOM 700 N ASP A 45 16.839 9.132 15.047 1.00 0.00 N ATOM 701 CA ASP A 45 18.124 9.633 14.574 1.00 0.00 C ATOM 702 C ASP A 45 19.093 8.483 14.315 1.00 0.00 C ATOM 703 O ASP A 45 20.270 8.558 14.667 1.00 0.00 O ATOM 704 CB ASP A 45 18.725 10.602 15.593 1.00 0.00 C ATOM 705 CG ASP A 45 19.745 11.536 14.972 1.00 0.00 C ATOM 706 OD1 ASP A 45 20.140 11.297 13.811 1.00 0.00 O ATOM 707 OD2 ASP A 45 20.148 12.507 15.646 1.00 0.00 O ATOM 0 H ASP A 45 16.792 8.976 16.054 1.00 0.00 H new ATOM 0 HA ASP A 45 17.956 10.163 13.636 1.00 0.00 H new ATOM 0 HB2 ASP A 45 17.927 11.190 16.046 1.00 0.00 H new ATOM 0 HB3 ASP A 45 19.197 10.035 16.395 1.00 0.00 H new ATOM 712 N VAL A 46 18.589 7.419 13.698 1.00 0.00 N ATOM 713 CA VAL A 46 19.409 6.253 13.392 1.00 0.00 C ATOM 714 C VAL A 46 19.265 5.848 11.929 1.00 0.00 C ATOM 715 O VAL A 46 18.312 6.243 11.256 1.00 0.00 O ATOM 716 CB VAL A 46 19.036 5.054 14.284 1.00 0.00 C ATOM 717 CG1 VAL A 46 19.097 5.443 15.753 1.00 0.00 C ATOM 718 CG2 VAL A 46 17.656 4.528 13.919 1.00 0.00 C ATOM 0 H VAL A 46 17.617 7.341 13.400 1.00 0.00 H new ATOM 0 HA VAL A 46 20.444 6.534 13.588 1.00 0.00 H new ATOM 0 HB VAL A 46 19.760 4.257 14.114 1.00 0.00 H new ATOM 0 HG11 VAL A 46 18.830 4.584 16.368 1.00 0.00 H new ATOM 0 HG12 VAL A 46 20.107 5.768 16.002 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.397 6.257 15.943 1.00 0.00 H new ATOM 0 HG21 VAL A 46 17.408 3.681 14.559 1.00 0.00 H new ATOM 0 HG22 VAL A 46 16.917 5.317 14.059 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.652 4.209 12.877 1.00 0.00 H new ATOM 728 N ILE A 47 20.216 5.058 11.443 1.00 0.00 N ATOM 729 CA ILE A 47 20.194 4.598 10.060 1.00 0.00 C ATOM 730 C ILE A 47 20.918 3.264 9.912 1.00 0.00 C ATOM 731 O ILE A 47 21.479 2.964 8.858 1.00 0.00 O ATOM 732 CB ILE A 47 20.840 5.628 9.114 1.00 0.00 C ATOM 733 CG1 ILE A 47 22.187 6.091 9.672 1.00 0.00 C ATOM 734 CG2 ILE A 47 19.910 6.814 8.907 1.00 0.00 C ATOM 735 CD1 ILE A 47 23.121 6.641 8.617 1.00 0.00 C ATOM 0 H ILE A 47 21.012 4.723 11.986 1.00 0.00 H new ATOM 0 HA ILE A 47 19.147 4.472 9.786 1.00 0.00 H new ATOM 0 HB ILE A 47 21.012 5.154 8.148 1.00 0.00 H new ATOM 0 HG12 ILE A 47 22.014 6.857 10.428 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.671 5.253 10.173 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.381 7.533 8.236 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.973 6.470 8.470 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.709 7.291 9.866 1.00 0.00 H new ATOM 0 HD11 ILE A 47 24.056 6.950 9.084 1.00 0.00 H new ATOM 0 HD12 ILE A 47 23.324 5.870 7.873 1.00 0.00 H new ATOM 0 HD13 ILE A 47 22.657 7.500 8.132 1.00 0.00 H new ATOM 747 N SER A 48 20.900 2.467 10.975 1.00 0.00 N ATOM 748 CA SER A 48 21.556 1.165 10.965 1.00 0.00 C ATOM 749 C SER A 48 20.863 0.199 11.921 1.00 0.00 C ATOM 750 O SER A 48 20.844 0.413 13.133 1.00 0.00 O ATOM 751 CB SER A 48 23.030 1.310 11.349 1.00 0.00 C ATOM 752 OG SER A 48 23.686 2.243 10.508 1.00 0.00 O ATOM 0 H SER A 48 20.438 2.700 11.854 1.00 0.00 H new ATOM 0 HA SER A 48 21.488 0.760 9.955 1.00 0.00 H new ATOM 0 HB2 SER A 48 23.109 1.633 12.387 1.00 0.00 H new ATOM 0 HB3 SER A 48 23.525 0.341 11.278 1.00 0.00 H new ATOM 0 HG SER A 48 24.626 2.319 10.774 1.00 0.00 H new ATOM 758 N GLY A 49 20.293 -0.866 11.366 1.00 0.00 N ATOM 759 CA GLY A 49 19.605 -1.850 12.183 1.00 0.00 C ATOM 760 C GLY A 49 18.568 -2.630 11.400 1.00 0.00 C ATOM 761 O GLY A 49 18.781 -2.962 10.235 1.00 0.00 O ATOM 0 H GLY A 49 20.295 -1.065 10.366 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.334 -2.542 12.604 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.121 -1.348 13.021 1.00 0.00 H new ATOM 765 N ALA A 50 17.443 -2.925 12.043 1.00 0.00 N ATOM 766 CA ALA A 50 16.369 -3.672 11.399 1.00 0.00 C ATOM 767 C ALA A 50 15.112 -2.819 11.265 1.00 0.00 C ATOM 768 O ALA A 50 14.543 -2.373 12.262 1.00 0.00 O ATOM 769 CB ALA A 50 16.067 -4.942 12.181 1.00 0.00 C ATOM 0 H ALA A 50 17.252 -2.658 13.009 1.00 0.00 H new ATOM 0 HA ALA A 50 16.699 -3.946 10.397 1.00 0.00 H new ATOM 0 HB1 ALA A 50 15.263 -5.490 11.689 1.00 0.00 H new ATOM 0 HB2 ALA A 50 16.960 -5.566 12.221 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.761 -4.681 13.194 1.00 0.00 H new ATOM 775 N TYR A 51 14.683 -2.595 10.028 1.00 0.00 N ATOM 776 CA TYR A 51 13.495 -1.793 9.764 1.00 0.00 C ATOM 777 C TYR A 51 12.249 -2.671 9.694 1.00 0.00 C ATOM 778 O TYR A 51 12.197 -3.634 8.928 1.00 0.00 O ATOM 779 CB TYR A 51 13.659 -1.016 8.457 1.00 0.00 C ATOM 780 CG TYR A 51 12.400 -0.305 8.014 1.00 0.00 C ATOM 781 CD1 TYR A 51 11.975 0.856 8.648 1.00 0.00 C ATOM 782 CD2 TYR A 51 11.636 -0.793 6.961 1.00 0.00 C ATOM 783 CE1 TYR A 51 10.826 1.510 8.247 1.00 0.00 C ATOM 784 CE2 TYR A 51 10.486 -0.146 6.553 1.00 0.00 C ATOM 785 CZ TYR A 51 10.085 1.005 7.199 1.00 0.00 C ATOM 786 OH TYR A 51 8.939 1.652 6.796 1.00 0.00 O ATOM 0 H TYR A 51 15.141 -2.958 9.192 1.00 0.00 H new ATOM 0 HA TYR A 51 13.374 -1.087 10.586 1.00 0.00 H new ATOM 0 HB2 TYR A 51 14.457 -0.283 8.577 1.00 0.00 H new ATOM 0 HB3 TYR A 51 13.973 -1.704 7.672 1.00 0.00 H new ATOM 0 HD1 TYR A 51 12.553 1.254 9.469 1.00 0.00 H new ATOM 0 HD2 TYR A 51 11.947 -1.694 6.453 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.510 2.411 8.751 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.904 -0.539 5.733 1.00 0.00 H new ATOM 0 HH TYR A 51 8.536 1.167 6.045 1.00 0.00 H new ATOM 796 N ILE A 52 11.248 -2.332 10.499 1.00 0.00 N ATOM 797 CA ILE A 52 10.002 -3.087 10.528 1.00 0.00 C ATOM 798 C ILE A 52 8.997 -2.529 9.527 1.00 0.00 C ATOM 799 O ILE A 52 8.600 -1.366 9.614 1.00 0.00 O ATOM 800 CB ILE A 52 9.370 -3.077 11.933 1.00 0.00 C ATOM 801 CG1 ILE A 52 10.342 -3.666 12.957 1.00 0.00 C ATOM 802 CG2 ILE A 52 8.061 -3.853 11.930 1.00 0.00 C ATOM 803 CD1 ILE A 52 9.798 -3.679 14.368 1.00 0.00 C ATOM 0 H ILE A 52 11.276 -1.539 11.140 1.00 0.00 H new ATOM 0 HA ILE A 52 10.249 -4.113 10.257 1.00 0.00 H new ATOM 0 HB ILE A 52 9.158 -2.045 12.213 1.00 0.00 H new ATOM 0 HG12 ILE A 52 10.593 -4.685 12.663 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.268 -3.092 12.939 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.626 -3.837 12.929 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.368 -3.394 11.225 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.250 -4.885 11.633 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.540 -4.110 15.040 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.574 -2.659 14.681 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.888 -4.277 14.401 1.00 0.00 H new ATOM 815 N ILE A 53 8.588 -3.364 8.578 1.00 0.00 N ATOM 816 CA ILE A 53 7.627 -2.954 7.562 1.00 0.00 C ATOM 817 C ILE A 53 6.198 -3.249 8.007 1.00 0.00 C ATOM 818 O ILE A 53 5.264 -2.541 7.633 1.00 0.00 O ATOM 819 CB ILE A 53 7.891 -3.661 6.219 1.00 0.00 C ATOM 820 CG1 ILE A 53 9.373 -3.569 5.852 1.00 0.00 C ATOM 821 CG2 ILE A 53 7.029 -3.054 5.123 1.00 0.00 C ATOM 822 CD1 ILE A 53 9.725 -4.295 4.573 1.00 0.00 C ATOM 0 H ILE A 53 8.907 -4.329 8.492 1.00 0.00 H new ATOM 0 HA ILE A 53 7.749 -1.879 7.427 1.00 0.00 H new ATOM 0 HB ILE A 53 7.627 -4.714 6.321 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.650 -2.519 5.752 1.00 0.00 H new ATOM 0 HG13 ILE A 53 9.967 -3.979 6.668 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.227 -3.564 4.180 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.977 -3.167 5.383 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.265 -1.995 5.019 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.791 -4.187 4.375 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.480 -5.352 4.675 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.158 -3.870 3.745 1.00 0.00 H new ATOM 834 N GLU A 54 6.037 -4.298 8.807 1.00 0.00 N ATOM 835 CA GLU A 54 4.722 -4.684 9.304 1.00 0.00 C ATOM 836 C GLU A 54 4.833 -5.836 10.299 1.00 0.00 C ATOM 837 O GLU A 54 5.556 -6.805 10.067 1.00 0.00 O ATOM 838 CB GLU A 54 3.812 -5.087 8.142 1.00 0.00 C ATOM 839 CG GLU A 54 2.470 -5.646 8.585 1.00 0.00 C ATOM 840 CD GLU A 54 1.331 -5.212 7.683 1.00 0.00 C ATOM 841 OE1 GLU A 54 1.139 -3.990 7.516 1.00 0.00 O ATOM 842 OE2 GLU A 54 0.631 -6.096 7.145 1.00 0.00 O ATOM 0 H GLU A 54 6.800 -4.895 9.125 1.00 0.00 H new ATOM 0 HA GLU A 54 4.289 -3.825 9.816 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.642 -4.218 7.506 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.323 -5.832 7.533 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.521 -6.735 8.601 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.264 -5.322 9.605 1.00 0.00 H new ATOM 849 N VAL A 55 4.112 -5.722 11.410 1.00 0.00 N ATOM 850 CA VAL A 55 4.128 -6.752 12.441 1.00 0.00 C ATOM 851 C VAL A 55 2.810 -7.518 12.474 1.00 0.00 C ATOM 852 O VAL A 55 1.794 -7.004 12.942 1.00 0.00 O ATOM 853 CB VAL A 55 4.393 -6.149 13.833 1.00 0.00 C ATOM 854 CG1 VAL A 55 4.510 -7.248 14.879 1.00 0.00 C ATOM 855 CG2 VAL A 55 5.648 -5.289 13.811 1.00 0.00 C ATOM 0 H VAL A 55 3.509 -4.926 11.619 1.00 0.00 H new ATOM 0 HA VAL A 55 4.937 -7.438 12.190 1.00 0.00 H new ATOM 0 HB VAL A 55 3.548 -5.514 14.100 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.697 -6.802 15.856 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.582 -7.819 14.912 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.335 -7.911 14.619 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.820 -4.871 14.803 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.503 -5.900 13.522 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.521 -4.479 13.093 1.00 0.00 H new ATOM 865 N ILE A 56 2.835 -8.749 11.974 1.00 0.00 N ATOM 866 CA ILE A 56 1.642 -9.586 11.948 1.00 0.00 C ATOM 867 C ILE A 56 0.954 -9.606 13.309 1.00 0.00 C ATOM 868 O ILE A 56 1.592 -9.751 14.352 1.00 0.00 O ATOM 869 CB ILE A 56 1.978 -11.031 11.534 1.00 0.00 C ATOM 870 CG1 ILE A 56 2.714 -11.042 10.193 1.00 0.00 C ATOM 871 CG2 ILE A 56 0.709 -11.868 11.455 1.00 0.00 C ATOM 872 CD1 ILE A 56 1.975 -10.313 9.092 1.00 0.00 C ATOM 0 H ILE A 56 3.668 -9.188 11.582 1.00 0.00 H new ATOM 0 HA ILE A 56 0.968 -9.152 11.210 1.00 0.00 H new ATOM 0 HB ILE A 56 2.631 -11.467 12.289 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.696 -10.587 10.323 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.879 -12.075 9.887 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.963 -12.887 11.161 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.221 -11.882 12.430 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.033 -11.435 10.717 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.555 -10.361 8.170 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.003 -10.781 8.934 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.833 -9.271 9.377 1.00 0.00 H new ATOM 884 N PRO A 57 -0.379 -9.459 13.300 1.00 0.00 N ATOM 885 CA PRO A 57 -1.183 -9.459 14.526 1.00 0.00 C ATOM 886 C PRO A 57 -1.241 -10.835 15.181 1.00 0.00 C ATOM 887 O PRO A 57 -0.900 -11.842 14.562 1.00 0.00 O ATOM 888 CB PRO A 57 -2.573 -9.040 14.038 1.00 0.00 C ATOM 889 CG PRO A 57 -2.609 -9.444 12.604 1.00 0.00 C ATOM 890 CD PRO A 57 -1.204 -9.282 12.093 1.00 0.00 C ATOM 0 HA PRO A 57 -0.766 -8.799 15.287 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.359 -9.535 14.609 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.725 -7.967 14.151 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.947 -10.475 12.497 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.304 -8.821 12.040 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.966 -10.024 11.331 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.051 -8.302 11.642 1.00 0.00 H new ATOM 898 N ASP A 58 -1.676 -10.869 16.436 1.00 0.00 N ATOM 899 CA ASP A 58 -1.780 -12.122 17.175 1.00 0.00 C ATOM 900 C ASP A 58 -0.405 -12.752 17.373 1.00 0.00 C ATOM 901 O ASP A 58 -0.281 -13.969 17.514 1.00 0.00 O ATOM 902 CB ASP A 58 -2.700 -13.097 16.440 1.00 0.00 C ATOM 903 CG ASP A 58 -3.350 -14.098 17.376 1.00 0.00 C ATOM 904 OD1 ASP A 58 -2.752 -15.170 17.606 1.00 0.00 O ATOM 905 OD2 ASP A 58 -4.455 -13.808 17.879 1.00 0.00 O ATOM 0 H ASP A 58 -1.962 -10.044 16.963 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.204 -11.903 18.155 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.475 -12.537 15.917 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.127 -13.632 15.682 1.00 0.00 H new ATOM 910 N THR A 59 0.628 -11.915 17.382 1.00 0.00 N ATOM 911 CA THR A 59 1.995 -12.390 17.560 1.00 0.00 C ATOM 912 C THR A 59 2.614 -11.819 18.831 1.00 0.00 C ATOM 913 O THR A 59 2.202 -10.774 19.335 1.00 0.00 O ATOM 914 CB THR A 59 2.881 -12.015 16.358 1.00 0.00 C ATOM 915 OG1 THR A 59 3.029 -10.592 16.282 1.00 0.00 O ATOM 916 CG2 THR A 59 2.282 -12.537 15.060 1.00 0.00 C ATOM 0 H THR A 59 0.544 -10.905 17.268 1.00 0.00 H new ATOM 0 HA THR A 59 1.944 -13.476 17.640 1.00 0.00 H new ATOM 0 HB THR A 59 3.859 -12.474 16.500 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.810 -10.288 15.376 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.925 -12.260 14.225 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.198 -13.623 15.109 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.293 -12.103 14.915 1.00 0.00 H new ATOM 924 N PRO A 60 3.628 -12.518 19.362 1.00 0.00 N ATOM 925 CA PRO A 60 4.326 -12.098 20.581 1.00 0.00 C ATOM 926 C PRO A 60 5.173 -10.849 20.362 1.00 0.00 C ATOM 927 O PRO A 60 5.723 -10.287 21.309 1.00 0.00 O ATOM 928 CB PRO A 60 5.218 -13.298 20.910 1.00 0.00 C ATOM 929 CG PRO A 60 5.434 -13.979 19.603 1.00 0.00 C ATOM 930 CD PRO A 60 4.170 -13.772 18.814 1.00 0.00 C ATOM 0 HA PRO A 60 3.631 -11.834 21.379 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.162 -12.980 21.352 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.738 -13.963 21.628 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.293 -13.558 19.081 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.636 -15.041 19.745 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.372 -13.690 17.746 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.475 -14.601 18.944 1.00 0.00 H new ATOM 938 N ALA A 61 5.274 -10.420 19.108 1.00 0.00 N ATOM 939 CA ALA A 61 6.053 -9.236 18.766 1.00 0.00 C ATOM 940 C ALA A 61 5.166 -7.997 18.699 1.00 0.00 C ATOM 941 O ALA A 61 5.624 -6.882 18.947 1.00 0.00 O ATOM 942 CB ALA A 61 6.775 -9.443 17.443 1.00 0.00 C ATOM 0 H ALA A 61 4.826 -10.875 18.312 1.00 0.00 H new ATOM 0 HA ALA A 61 6.794 -9.079 19.550 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.353 -8.551 17.200 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.446 -10.298 17.524 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.045 -9.628 16.655 1.00 0.00 H new ATOM 948 N GLU A 62 3.897 -8.201 18.362 1.00 0.00 N ATOM 949 CA GLU A 62 2.947 -7.099 18.262 1.00 0.00 C ATOM 950 C GLU A 62 2.542 -6.601 19.646 1.00 0.00 C ATOM 951 O GLU A 62 2.362 -5.403 19.859 1.00 0.00 O ATOM 952 CB GLU A 62 1.706 -7.535 17.481 1.00 0.00 C ATOM 953 CG GLU A 62 0.433 -6.830 17.918 1.00 0.00 C ATOM 954 CD GLU A 62 -0.636 -6.836 16.843 1.00 0.00 C ATOM 955 OE1 GLU A 62 -0.367 -6.327 15.735 1.00 0.00 O ATOM 956 OE2 GLU A 62 -1.743 -7.350 17.110 1.00 0.00 O ATOM 0 H GLU A 62 3.503 -9.118 18.154 1.00 0.00 H new ATOM 0 HA GLU A 62 3.434 -6.282 17.730 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.870 -7.346 16.420 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.574 -8.611 17.597 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.044 -7.313 18.814 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.667 -5.800 18.187 1.00 0.00 H new ATOM 963 N ALA A 63 2.400 -7.532 20.584 1.00 0.00 N ATOM 964 CA ALA A 63 2.018 -7.189 21.949 1.00 0.00 C ATOM 965 C ALA A 63 3.231 -6.760 22.767 1.00 0.00 C ATOM 966 O ALA A 63 3.109 -5.992 23.721 1.00 0.00 O ATOM 967 CB ALA A 63 1.320 -8.367 22.613 1.00 0.00 C ATOM 0 H ALA A 63 2.544 -8.529 20.424 1.00 0.00 H new ATOM 0 HA ALA A 63 1.326 -6.348 21.906 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.040 -8.097 23.631 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.425 -8.626 22.047 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.994 -9.223 22.637 1.00 0.00 H new ATOM 973 N GLY A 64 4.403 -7.262 22.389 1.00 0.00 N ATOM 974 CA GLY A 64 5.621 -6.920 23.099 1.00 0.00 C ATOM 975 C GLY A 64 5.936 -5.439 23.029 1.00 0.00 C ATOM 976 O GLY A 64 6.365 -4.841 24.015 1.00 0.00 O ATOM 0 H GLY A 64 4.530 -7.900 21.603 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.526 -7.219 24.143 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.453 -7.486 22.680 1.00 0.00 H new ATOM 980 N GLY A 65 5.725 -4.845 21.859 1.00 0.00 N ATOM 981 CA GLY A 65 5.997 -3.430 21.685 1.00 0.00 C ATOM 982 C GLY A 65 6.442 -3.094 20.276 1.00 0.00 C ATOM 983 O GLY A 65 6.265 -1.966 19.813 1.00 0.00 O ATOM 0 H GLY A 65 5.370 -5.318 21.028 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.100 -2.859 21.925 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.770 -3.122 22.390 1.00 0.00 H new ATOM 987 N LEU A 66 7.023 -4.073 19.592 1.00 0.00 N ATOM 988 CA LEU A 66 7.498 -3.875 18.226 1.00 0.00 C ATOM 989 C LEU A 66 6.370 -3.383 17.324 1.00 0.00 C ATOM 990 O LEU A 66 5.449 -4.133 16.999 1.00 0.00 O ATOM 991 CB LEU A 66 8.078 -5.178 17.673 1.00 0.00 C ATOM 992 CG LEU A 66 9.292 -5.740 18.414 1.00 0.00 C ATOM 993 CD1 LEU A 66 9.825 -6.975 17.705 1.00 0.00 C ATOM 994 CD2 LEU A 66 10.379 -4.682 18.534 1.00 0.00 C ATOM 0 H LEU A 66 7.177 -5.012 19.960 1.00 0.00 H new ATOM 0 HA LEU A 66 8.280 -3.116 18.245 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.292 -5.933 17.679 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.356 -5.015 16.632 1.00 0.00 H new ATOM 0 HG LEU A 66 8.980 -6.028 19.418 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.689 -7.361 18.246 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.048 -7.738 17.670 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.121 -6.712 16.690 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.236 -5.099 19.064 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.688 -4.363 17.538 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.993 -3.825 19.086 1.00 0.00 H new ATOM 1006 N LYS A 67 6.450 -2.120 16.921 1.00 0.00 N ATOM 1007 CA LYS A 67 5.439 -1.528 16.053 1.00 0.00 C ATOM 1008 C LYS A 67 6.026 -1.189 14.686 1.00 0.00 C ATOM 1009 O LYS A 67 7.245 -1.133 14.521 1.00 0.00 O ATOM 1010 CB LYS A 67 4.860 -0.267 16.697 1.00 0.00 C ATOM 1011 CG LYS A 67 3.704 -0.543 17.643 1.00 0.00 C ATOM 1012 CD LYS A 67 2.362 -0.333 16.960 1.00 0.00 C ATOM 1013 CE LYS A 67 1.464 0.590 17.770 1.00 0.00 C ATOM 1014 NZ LYS A 67 0.068 0.077 17.847 1.00 0.00 N ATOM 0 H LYS A 67 7.205 -1.486 17.182 1.00 0.00 H new ATOM 0 HA LYS A 67 4.641 -2.258 15.916 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.651 0.248 17.243 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.522 0.410 15.912 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.770 -1.567 18.011 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.778 0.112 18.511 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.520 0.089 15.968 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.868 -1.295 16.822 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.867 0.698 18.777 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.462 1.582 17.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.513 0.733 18.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.326 -0.002 16.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.067 -0.859 18.300 1.00 0.00 H new ATOM 1028 N GLU A 68 5.152 -0.963 13.711 1.00 0.00 N ATOM 1029 CA GLU A 68 5.585 -0.630 12.359 1.00 0.00 C ATOM 1030 C GLU A 68 6.445 0.631 12.359 1.00 0.00 C ATOM 1031 O GLU A 68 6.300 1.494 13.224 1.00 0.00 O ATOM 1032 CB GLU A 68 4.374 -0.434 11.445 1.00 0.00 C ATOM 1033 CG GLU A 68 4.695 -0.589 9.968 1.00 0.00 C ATOM 1034 CD GLU A 68 3.451 -0.717 9.111 1.00 0.00 C ATOM 1035 OE1 GLU A 68 2.681 -1.677 9.322 1.00 0.00 O ATOM 1036 OE2 GLU A 68 3.248 0.143 8.228 1.00 0.00 O ATOM 0 H GLU A 68 4.140 -1.004 13.832 1.00 0.00 H new ATOM 0 HA GLU A 68 6.185 -1.459 11.983 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.603 -1.154 11.718 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.958 0.559 11.615 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.275 0.271 9.634 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.321 -1.470 9.827 1.00 0.00 H new ATOM 1043 N ASN A 69 7.341 0.730 11.383 1.00 0.00 N ATOM 1044 CA ASN A 69 8.225 1.884 11.270 1.00 0.00 C ATOM 1045 C ASN A 69 9.148 1.982 12.481 1.00 0.00 C ATOM 1046 O ASN A 69 9.292 3.049 13.080 1.00 0.00 O ATOM 1047 CB ASN A 69 7.406 3.169 11.133 1.00 0.00 C ATOM 1048 CG ASN A 69 6.143 2.965 10.318 1.00 0.00 C ATOM 1049 OD1 ASN A 69 6.202 2.620 9.138 1.00 0.00 O ATOM 1050 ND2 ASN A 69 4.993 3.180 10.946 1.00 0.00 N ATOM 0 H ASN A 69 7.474 0.025 10.658 1.00 0.00 H new ATOM 0 HA ASN A 69 8.838 1.755 10.378 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.140 3.535 12.125 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.018 3.939 10.663 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.110 3.060 10.449 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.992 3.465 11.925 1.00 0.00 H new ATOM 1057 N ASP A 70 9.771 0.864 12.835 1.00 0.00 N ATOM 1058 CA ASP A 70 10.682 0.824 13.974 1.00 0.00 C ATOM 1059 C ASP A 70 12.098 0.477 13.525 1.00 0.00 C ATOM 1060 O ASP A 70 12.309 0.012 12.404 1.00 0.00 O ATOM 1061 CB ASP A 70 10.197 -0.194 15.007 1.00 0.00 C ATOM 1062 CG ASP A 70 9.453 0.457 16.156 1.00 0.00 C ATOM 1063 OD1 ASP A 70 9.895 1.531 16.615 1.00 0.00 O ATOM 1064 OD2 ASP A 70 8.431 -0.109 16.598 1.00 0.00 O ATOM 0 H ASP A 70 9.662 -0.027 12.350 1.00 0.00 H new ATOM 0 HA ASP A 70 10.697 1.814 14.431 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.545 -0.919 14.520 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.052 -0.746 15.398 1.00 0.00 H new ATOM 1069 N VAL A 71 13.066 0.706 14.406 1.00 0.00 N ATOM 1070 CA VAL A 71 14.462 0.417 14.101 1.00 0.00 C ATOM 1071 C VAL A 71 15.201 -0.090 15.334 1.00 0.00 C ATOM 1072 O VAL A 71 15.471 0.670 16.265 1.00 0.00 O ATOM 1073 CB VAL A 71 15.187 1.663 13.559 1.00 0.00 C ATOM 1074 CG1 VAL A 71 16.579 1.299 13.065 1.00 0.00 C ATOM 1075 CG2 VAL A 71 14.372 2.313 12.450 1.00 0.00 C ATOM 0 H VAL A 71 12.909 1.091 15.337 1.00 0.00 H new ATOM 0 HA VAL A 71 14.464 -0.359 13.335 1.00 0.00 H new ATOM 0 HB VAL A 71 15.293 2.382 14.371 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.076 2.192 12.686 1.00 0.00 H new ATOM 0 HG12 VAL A 71 17.160 0.883 13.888 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.500 0.561 12.267 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.899 3.192 12.079 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.233 1.602 11.636 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.399 2.611 12.841 1.00 0.00 H new ATOM 1085 N ILE A 72 15.525 -1.379 15.335 1.00 0.00 N ATOM 1086 CA ILE A 72 16.234 -1.987 16.453 1.00 0.00 C ATOM 1087 C ILE A 72 17.718 -1.637 16.420 1.00 0.00 C ATOM 1088 O ILE A 72 18.384 -1.812 15.399 1.00 0.00 O ATOM 1089 CB ILE A 72 16.080 -3.520 16.451 1.00 0.00 C ATOM 1090 CG1 ILE A 72 14.599 -3.905 16.453 1.00 0.00 C ATOM 1091 CG2 ILE A 72 16.793 -4.126 17.650 1.00 0.00 C ATOM 1092 CD1 ILE A 72 14.219 -4.853 15.338 1.00 0.00 C ATOM 0 H ILE A 72 15.307 -2.022 14.574 1.00 0.00 H new ATOM 0 HA ILE A 72 15.789 -1.586 17.364 1.00 0.00 H new ATOM 0 HB ILE A 72 16.538 -3.915 15.544 1.00 0.00 H new ATOM 0 HG12 ILE A 72 14.353 -4.365 17.410 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.997 -3.000 16.371 1.00 0.00 H new ATOM 0 HG21 ILE A 72 16.675 -5.209 17.634 1.00 0.00 H new ATOM 0 HG22 ILE A 72 17.853 -3.876 17.608 1.00 0.00 H new ATOM 0 HG23 ILE A 72 16.363 -3.728 18.569 1.00 0.00 H new ATOM 0 HD11 ILE A 72 13.155 -5.082 15.402 1.00 0.00 H new ATOM 0 HD12 ILE A 72 14.433 -4.387 14.376 1.00 0.00 H new ATOM 0 HD13 ILE A 72 14.795 -5.774 15.431 1.00 0.00 H new ATOM 1104 N ILE A 73 18.229 -1.144 17.543 1.00 0.00 N ATOM 1105 CA ILE A 73 19.635 -0.772 17.642 1.00 0.00 C ATOM 1106 C ILE A 73 20.417 -1.795 18.459 1.00 0.00 C ATOM 1107 O ILE A 73 21.627 -1.948 18.286 1.00 0.00 O ATOM 1108 CB ILE A 73 19.805 0.618 18.283 1.00 0.00 C ATOM 1109 CG1 ILE A 73 19.025 0.697 19.597 1.00 0.00 C ATOM 1110 CG2 ILE A 73 19.346 1.704 17.322 1.00 0.00 C ATOM 1111 CD1 ILE A 73 19.837 1.245 20.750 1.00 0.00 C ATOM 0 H ILE A 73 17.691 -0.993 18.396 1.00 0.00 H new ATOM 0 HA ILE A 73 20.027 -0.745 16.625 1.00 0.00 H new ATOM 0 HB ILE A 73 20.862 0.775 18.500 1.00 0.00 H new ATOM 0 HG12 ILE A 73 18.146 1.325 19.451 1.00 0.00 H new ATOM 0 HG13 ILE A 73 18.666 -0.299 19.857 1.00 0.00 H new ATOM 0 HG21 ILE A 73 19.472 2.681 17.789 1.00 0.00 H new ATOM 0 HG22 ILE A 73 19.941 1.658 16.410 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.295 1.552 17.077 1.00 0.00 H new ATOM 0 HD11 ILE A 73 19.221 1.272 21.649 1.00 0.00 H new ATOM 0 HD12 ILE A 73 20.702 0.605 20.923 1.00 0.00 H new ATOM 0 HD13 ILE A 73 20.174 2.253 20.511 1.00 0.00 H new ATOM 1123 N SER A 74 19.719 -2.495 19.347 1.00 0.00 N ATOM 1124 CA SER A 74 20.348 -3.503 20.191 1.00 0.00 C ATOM 1125 C SER A 74 19.324 -4.526 20.671 1.00 0.00 C ATOM 1126 O SER A 74 18.129 -4.237 20.747 1.00 0.00 O ATOM 1127 CB SER A 74 21.026 -2.841 21.393 1.00 0.00 C ATOM 1128 OG SER A 74 21.520 -3.813 22.299 1.00 0.00 O ATOM 0 H SER A 74 18.717 -2.382 19.501 1.00 0.00 H new ATOM 0 HA SER A 74 21.101 -4.020 19.597 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.845 -2.209 21.050 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.315 -2.192 21.904 1.00 0.00 H new ATOM 0 HG SER A 74 21.950 -3.365 23.057 1.00 0.00 H new ATOM 1134 N ILE A 75 19.800 -5.724 20.994 1.00 0.00 N ATOM 1135 CA ILE A 75 18.926 -6.791 21.468 1.00 0.00 C ATOM 1136 C ILE A 75 19.652 -7.696 22.458 1.00 0.00 C ATOM 1137 O ILE A 75 20.719 -8.229 22.160 1.00 0.00 O ATOM 1138 CB ILE A 75 18.397 -7.645 20.301 1.00 0.00 C ATOM 1139 CG1 ILE A 75 17.624 -6.771 19.311 1.00 0.00 C ATOM 1140 CG2 ILE A 75 17.515 -8.769 20.825 1.00 0.00 C ATOM 1141 CD1 ILE A 75 17.079 -7.537 18.126 1.00 0.00 C ATOM 0 H ILE A 75 20.786 -5.980 20.936 1.00 0.00 H new ATOM 0 HA ILE A 75 18.084 -6.312 21.967 1.00 0.00 H new ATOM 0 HB ILE A 75 19.246 -8.088 19.780 1.00 0.00 H new ATOM 0 HG12 ILE A 75 16.797 -6.289 19.833 1.00 0.00 H new ATOM 0 HG13 ILE A 75 18.279 -5.978 18.950 1.00 0.00 H new ATOM 0 HG21 ILE A 75 17.149 -9.364 19.988 1.00 0.00 H new ATOM 0 HG22 ILE A 75 18.094 -9.404 21.495 1.00 0.00 H new ATOM 0 HG23 ILE A 75 16.669 -8.345 21.367 1.00 0.00 H new ATOM 0 HD11 ILE A 75 16.543 -6.854 17.467 1.00 0.00 H new ATOM 0 HD12 ILE A 75 17.903 -7.997 17.580 1.00 0.00 H new ATOM 0 HD13 ILE A 75 16.398 -8.313 18.476 1.00 0.00 H new ATOM 1153 N ASN A 76 19.062 -7.867 23.637 1.00 0.00 N ATOM 1154 CA ASN A 76 19.651 -8.710 24.671 1.00 0.00 C ATOM 1155 C ASN A 76 20.996 -8.151 25.127 1.00 0.00 C ATOM 1156 O ASN A 76 21.857 -8.889 25.603 1.00 0.00 O ATOM 1157 CB ASN A 76 19.829 -10.139 24.154 1.00 0.00 C ATOM 1158 CG ASN A 76 19.202 -11.169 25.074 1.00 0.00 C ATOM 1159 OD1 ASN A 76 19.496 -11.210 26.269 1.00 0.00 O ATOM 1160 ND2 ASN A 76 18.334 -12.006 24.519 1.00 0.00 N ATOM 0 H ASN A 76 18.177 -7.433 23.900 1.00 0.00 H new ATOM 0 HA ASN A 76 18.973 -8.722 25.525 1.00 0.00 H new ATOM 0 HB2 ASN A 76 19.383 -10.222 23.163 1.00 0.00 H new ATOM 0 HB3 ASN A 76 20.892 -10.353 24.044 1.00 0.00 H new ATOM 0 HD21 ASN A 76 17.880 -12.721 25.088 1.00 0.00 H new ATOM 0 HD22 ASN A 76 18.121 -11.934 23.524 1.00 0.00 H new ATOM 1167 N GLY A 77 21.167 -6.841 24.979 1.00 0.00 N ATOM 1168 CA GLY A 77 22.409 -6.205 25.380 1.00 0.00 C ATOM 1169 C GLY A 77 23.477 -6.291 24.308 1.00 0.00 C ATOM 1170 O GLY A 77 24.667 -6.173 24.599 1.00 0.00 O ATOM 0 H GLY A 77 20.468 -6.209 24.589 1.00 0.00 H new ATOM 0 HA2 GLY A 77 22.218 -5.158 25.615 1.00 0.00 H new ATOM 0 HA3 GLY A 77 22.776 -6.675 26.293 1.00 0.00 H new ATOM 1174 N GLN A 78 23.052 -6.498 23.066 1.00 0.00 N ATOM 1175 CA GLN A 78 23.982 -6.602 21.948 1.00 0.00 C ATOM 1176 C GLN A 78 23.525 -5.739 20.778 1.00 0.00 C ATOM 1177 O GLN A 78 22.447 -5.950 20.221 1.00 0.00 O ATOM 1178 CB GLN A 78 24.115 -8.059 21.502 1.00 0.00 C ATOM 1179 CG GLN A 78 25.490 -8.652 21.760 1.00 0.00 C ATOM 1180 CD GLN A 78 25.582 -9.353 23.101 1.00 0.00 C ATOM 1181 OE1 GLN A 78 25.440 -8.728 24.152 1.00 0.00 O ATOM 1182 NE2 GLN A 78 25.819 -10.660 23.071 1.00 0.00 N ATOM 0 H GLN A 78 22.070 -6.597 22.809 1.00 0.00 H new ATOM 0 HA GLN A 78 24.955 -6.242 22.282 1.00 0.00 H new ATOM 0 HB2 GLN A 78 23.367 -8.659 22.021 1.00 0.00 H new ATOM 0 HB3 GLN A 78 23.894 -8.126 20.437 1.00 0.00 H new ATOM 0 HG2 GLN A 78 25.730 -9.360 20.967 1.00 0.00 H new ATOM 0 HG3 GLN A 78 26.237 -7.859 21.717 1.00 0.00 H new ATOM 0 HE21 GLN A 78 25.930 -11.138 22.177 1.00 0.00 H new ATOM 0 HE22 GLN A 78 25.890 -11.186 23.942 1.00 0.00 H new ATOM 1191 N SER A 79 24.351 -4.765 20.409 1.00 0.00 N ATOM 1192 CA SER A 79 24.029 -3.866 19.306 1.00 0.00 C ATOM 1193 C SER A 79 23.980 -4.624 17.984 1.00 0.00 C ATOM 1194 O SER A 79 24.884 -5.397 17.664 1.00 0.00 O ATOM 1195 CB SER A 79 25.059 -2.738 19.223 1.00 0.00 C ATOM 1196 OG SER A 79 24.679 -1.640 20.035 1.00 0.00 O ATOM 0 H SER A 79 25.248 -4.578 20.857 1.00 0.00 H new ATOM 0 HA SER A 79 23.045 -3.437 19.495 1.00 0.00 H new ATOM 0 HB2 SER A 79 26.034 -3.108 19.539 1.00 0.00 H new ATOM 0 HB3 SER A 79 25.162 -2.411 18.188 1.00 0.00 H new ATOM 0 HG SER A 79 25.354 -0.933 19.966 1.00 0.00 H new ATOM 1202 N VAL A 80 22.918 -4.398 17.217 1.00 0.00 N ATOM 1203 CA VAL A 80 22.751 -5.058 15.928 1.00 0.00 C ATOM 1204 C VAL A 80 22.840 -4.056 14.782 1.00 0.00 C ATOM 1205 O VAL A 80 22.584 -2.865 14.962 1.00 0.00 O ATOM 1206 CB VAL A 80 21.401 -5.795 15.846 1.00 0.00 C ATOM 1207 CG1 VAL A 80 21.263 -6.785 16.993 1.00 0.00 C ATOM 1208 CG2 VAL A 80 20.250 -4.801 15.848 1.00 0.00 C ATOM 0 H VAL A 80 22.160 -3.762 17.466 1.00 0.00 H new ATOM 0 HA VAL A 80 23.559 -5.783 15.837 1.00 0.00 H new ATOM 0 HB VAL A 80 21.367 -6.352 14.910 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.303 -7.296 16.919 1.00 0.00 H new ATOM 0 HG12 VAL A 80 22.069 -7.517 16.941 1.00 0.00 H new ATOM 0 HG13 VAL A 80 21.318 -6.252 17.942 1.00 0.00 H new ATOM 0 HG21 VAL A 80 19.304 -5.339 15.790 1.00 0.00 H new ATOM 0 HG22 VAL A 80 20.277 -4.214 16.766 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.342 -4.136 14.990 1.00 0.00 H new ATOM 1218 N VAL A 81 23.204 -4.547 13.602 1.00 0.00 N ATOM 1219 CA VAL A 81 23.326 -3.695 12.424 1.00 0.00 C ATOM 1220 C VAL A 81 22.786 -4.395 11.182 1.00 0.00 C ATOM 1221 O VAL A 81 23.179 -4.078 10.059 1.00 0.00 O ATOM 1222 CB VAL A 81 24.790 -3.287 12.176 1.00 0.00 C ATOM 1223 CG1 VAL A 81 25.233 -2.243 13.189 1.00 0.00 C ATOM 1224 CG2 VAL A 81 25.698 -4.507 12.223 1.00 0.00 C ATOM 0 H VAL A 81 23.420 -5.530 13.436 1.00 0.00 H new ATOM 0 HA VAL A 81 22.736 -2.799 12.618 1.00 0.00 H new ATOM 0 HB VAL A 81 24.863 -2.846 11.182 1.00 0.00 H new ATOM 0 HG11 VAL A 81 26.270 -1.967 12.998 1.00 0.00 H new ATOM 0 HG12 VAL A 81 24.601 -1.360 13.101 1.00 0.00 H new ATOM 0 HG13 VAL A 81 25.146 -2.653 14.195 1.00 0.00 H new ATOM 0 HG21 VAL A 81 26.729 -4.200 12.046 1.00 0.00 H new ATOM 0 HG22 VAL A 81 25.623 -4.979 13.203 1.00 0.00 H new ATOM 0 HG23 VAL A 81 25.393 -5.217 11.454 1.00 0.00 H new ATOM 1234 N SER A 82 21.884 -5.348 11.391 1.00 0.00 N ATOM 1235 CA SER A 82 21.292 -6.095 10.288 1.00 0.00 C ATOM 1236 C SER A 82 20.028 -6.821 10.740 1.00 0.00 C ATOM 1237 O SER A 82 20.003 -7.444 11.801 1.00 0.00 O ATOM 1238 CB SER A 82 22.299 -7.101 9.727 1.00 0.00 C ATOM 1239 OG SER A 82 22.299 -7.088 8.310 1.00 0.00 O ATOM 0 H SER A 82 21.547 -5.621 12.314 1.00 0.00 H new ATOM 0 HA SER A 82 21.023 -5.386 9.505 1.00 0.00 H new ATOM 0 HB2 SER A 82 23.297 -6.865 10.096 1.00 0.00 H new ATOM 0 HB3 SER A 82 22.056 -8.102 10.084 1.00 0.00 H new ATOM 0 HG SER A 82 22.952 -7.738 7.977 1.00 0.00 H new ATOM 1245 N ALA A 83 18.982 -6.737 9.925 1.00 0.00 N ATOM 1246 CA ALA A 83 17.715 -7.387 10.239 1.00 0.00 C ATOM 1247 C ALA A 83 17.899 -8.890 10.415 1.00 0.00 C ATOM 1248 O ALA A 83 17.102 -9.548 11.083 1.00 0.00 O ATOM 1249 CB ALA A 83 16.692 -7.102 9.149 1.00 0.00 C ATOM 0 H ALA A 83 18.987 -6.225 9.043 1.00 0.00 H new ATOM 0 HA ALA A 83 17.349 -6.980 11.181 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.751 -7.593 9.396 1.00 0.00 H new ATOM 0 HB2 ALA A 83 16.531 -6.027 9.073 1.00 0.00 H new ATOM 0 HB3 ALA A 83 17.060 -7.482 8.196 1.00 0.00 H new ATOM 1255 N ASN A 84 18.953 -9.428 9.811 1.00 0.00 N ATOM 1256 CA ASN A 84 19.240 -10.855 9.900 1.00 0.00 C ATOM 1257 C ASN A 84 19.829 -11.207 11.263 1.00 0.00 C ATOM 1258 O ASN A 84 19.710 -12.341 11.728 1.00 0.00 O ATOM 1259 CB ASN A 84 20.208 -11.272 8.791 1.00 0.00 C ATOM 1260 CG ASN A 84 19.530 -11.371 7.439 1.00 0.00 C ATOM 1261 OD1 ASN A 84 19.016 -10.382 6.916 1.00 0.00 O ATOM 1262 ND2 ASN A 84 19.525 -12.569 6.865 1.00 0.00 N ATOM 0 H ASN A 84 19.623 -8.897 9.254 1.00 0.00 H new ATOM 0 HA ASN A 84 18.302 -11.397 9.778 1.00 0.00 H new ATOM 0 HB2 ASN A 84 21.023 -10.551 8.734 1.00 0.00 H new ATOM 0 HB3 ASN A 84 20.652 -12.235 9.043 1.00 0.00 H new ATOM 0 HD21 ASN A 84 19.083 -12.696 5.955 1.00 0.00 H new ATOM 0 HD22 ASN A 84 19.963 -13.361 7.335 1.00 0.00 H new ATOM 1269 N ASP A 85 20.462 -10.227 11.899 1.00 0.00 N ATOM 1270 CA ASP A 85 21.068 -10.432 13.209 1.00 0.00 C ATOM 1271 C ASP A 85 20.004 -10.447 14.303 1.00 0.00 C ATOM 1272 O ASP A 85 20.029 -11.295 15.196 1.00 0.00 O ATOM 1273 CB ASP A 85 22.097 -9.338 13.496 1.00 0.00 C ATOM 1274 CG ASP A 85 23.511 -9.772 13.167 1.00 0.00 C ATOM 1275 OD1 ASP A 85 24.095 -10.543 13.959 1.00 0.00 O ATOM 1276 OD2 ASP A 85 24.035 -9.343 12.118 1.00 0.00 O ATOM 0 H ASP A 85 20.569 -9.283 11.528 1.00 0.00 H new ATOM 0 HA ASP A 85 21.571 -11.399 13.202 1.00 0.00 H new ATOM 0 HB2 ASP A 85 21.849 -8.449 12.916 1.00 0.00 H new ATOM 0 HB3 ASP A 85 22.042 -9.058 14.548 1.00 0.00 H new ATOM 1281 N VAL A 86 19.071 -9.504 14.227 1.00 0.00 N ATOM 1282 CA VAL A 86 17.999 -9.408 15.210 1.00 0.00 C ATOM 1283 C VAL A 86 17.117 -10.651 15.184 1.00 0.00 C ATOM 1284 O VAL A 86 16.464 -10.983 16.173 1.00 0.00 O ATOM 1285 CB VAL A 86 17.123 -8.165 14.966 1.00 0.00 C ATOM 1286 CG1 VAL A 86 17.946 -6.894 15.113 1.00 0.00 C ATOM 1287 CG2 VAL A 86 16.473 -8.233 13.593 1.00 0.00 C ATOM 0 H VAL A 86 19.036 -8.795 13.494 1.00 0.00 H new ATOM 0 HA VAL A 86 18.473 -9.323 16.188 1.00 0.00 H new ATOM 0 HB VAL A 86 16.333 -8.146 15.716 1.00 0.00 H new ATOM 0 HG11 VAL A 86 17.310 -6.026 14.937 1.00 0.00 H new ATOM 0 HG12 VAL A 86 18.359 -6.843 16.120 1.00 0.00 H new ATOM 0 HG13 VAL A 86 18.759 -6.901 14.387 1.00 0.00 H new ATOM 0 HG21 VAL A 86 15.858 -7.347 13.437 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.246 -8.277 12.826 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.848 -9.124 13.530 1.00 0.00 H new ATOM 1297 N SER A 87 17.103 -11.336 14.045 1.00 0.00 N ATOM 1298 CA SER A 87 16.298 -12.542 13.888 1.00 0.00 C ATOM 1299 C SER A 87 17.001 -13.748 14.503 1.00 0.00 C ATOM 1300 O SER A 87 16.359 -14.728 14.882 1.00 0.00 O ATOM 1301 CB SER A 87 16.015 -12.802 12.407 1.00 0.00 C ATOM 1302 OG SER A 87 17.123 -13.422 11.778 1.00 0.00 O ATOM 0 H SER A 87 17.640 -11.077 13.217 1.00 0.00 H new ATOM 0 HA SER A 87 15.353 -12.389 14.410 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.134 -13.437 12.308 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.788 -11.861 11.906 1.00 0.00 H new ATOM 0 HG SER A 87 17.922 -12.868 11.903 1.00 0.00 H new ATOM 1308 N ASP A 88 18.323 -13.668 14.599 1.00 0.00 N ATOM 1309 CA ASP A 88 19.115 -14.752 15.169 1.00 0.00 C ATOM 1310 C ASP A 88 18.853 -14.889 16.665 1.00 0.00 C ATOM 1311 O ASP A 88 18.739 -15.998 17.188 1.00 0.00 O ATOM 1312 CB ASP A 88 20.605 -14.510 14.920 1.00 0.00 C ATOM 1313 CG ASP A 88 21.199 -15.505 13.943 1.00 0.00 C ATOM 1314 OD1 ASP A 88 20.580 -15.736 12.883 1.00 0.00 O ATOM 1315 OD2 ASP A 88 22.281 -16.054 14.239 1.00 0.00 O ATOM 0 H ASP A 88 18.869 -12.864 14.290 1.00 0.00 H new ATOM 0 HA ASP A 88 18.819 -15.680 14.680 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.747 -13.500 14.536 1.00 0.00 H new ATOM 0 HB3 ASP A 88 21.143 -14.570 15.866 1.00 0.00 H new ATOM 1320 N VAL A 89 18.757 -13.754 17.350 1.00 0.00 N ATOM 1321 CA VAL A 89 18.508 -13.747 18.787 1.00 0.00 C ATOM 1322 C VAL A 89 17.180 -14.418 19.117 1.00 0.00 C ATOM 1323 O VAL A 89 16.989 -14.929 20.222 1.00 0.00 O ATOM 1324 CB VAL A 89 18.499 -12.312 19.348 1.00 0.00 C ATOM 1325 CG1 VAL A 89 18.296 -12.329 20.855 1.00 0.00 C ATOM 1326 CG2 VAL A 89 19.787 -11.590 18.983 1.00 0.00 C ATOM 0 H VAL A 89 18.848 -12.827 16.933 1.00 0.00 H new ATOM 0 HA VAL A 89 19.320 -14.306 19.252 1.00 0.00 H new ATOM 0 HB VAL A 89 17.666 -11.770 18.900 1.00 0.00 H new ATOM 0 HG11 VAL A 89 18.292 -11.307 21.233 1.00 0.00 H new ATOM 0 HG12 VAL A 89 17.344 -12.806 21.089 1.00 0.00 H new ATOM 0 HG13 VAL A 89 19.106 -12.887 21.325 1.00 0.00 H new ATOM 0 HG21 VAL A 89 19.764 -10.578 19.387 1.00 0.00 H new ATOM 0 HG22 VAL A 89 20.637 -12.129 19.402 1.00 0.00 H new ATOM 0 HG23 VAL A 89 19.884 -11.545 17.898 1.00 0.00 H new ATOM 1336 N ILE A 90 16.265 -14.414 18.154 1.00 0.00 N ATOM 1337 CA ILE A 90 14.955 -15.025 18.342 1.00 0.00 C ATOM 1338 C ILE A 90 15.078 -16.525 18.586 1.00 0.00 C ATOM 1339 O ILE A 90 14.427 -17.077 19.474 1.00 0.00 O ATOM 1340 CB ILE A 90 14.043 -14.787 17.124 1.00 0.00 C ATOM 1341 CG1 ILE A 90 13.997 -13.297 16.777 1.00 0.00 C ATOM 1342 CG2 ILE A 90 12.643 -15.315 17.400 1.00 0.00 C ATOM 1343 CD1 ILE A 90 13.126 -12.982 15.582 1.00 0.00 C ATOM 0 H ILE A 90 16.407 -13.994 17.235 1.00 0.00 H new ATOM 0 HA ILE A 90 14.509 -14.553 19.217 1.00 0.00 H new ATOM 0 HB ILE A 90 14.453 -15.327 16.271 1.00 0.00 H new ATOM 0 HG12 ILE A 90 13.630 -12.742 17.640 1.00 0.00 H new ATOM 0 HG13 ILE A 90 15.010 -12.947 16.580 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.010 -15.140 16.530 1.00 0.00 H new ATOM 0 HG22 ILE A 90 12.691 -16.385 17.604 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.223 -14.799 18.264 1.00 0.00 H new ATOM 0 HD11 ILE A 90 13.141 -11.908 15.394 1.00 0.00 H new ATOM 0 HD12 ILE A 90 13.505 -13.509 14.706 1.00 0.00 H new ATOM 0 HD13 ILE A 90 12.103 -13.301 15.783 1.00 0.00 H new ATOM 1355 N LYS A 91 15.917 -17.181 17.792 1.00 0.00 N ATOM 1356 CA LYS A 91 16.129 -18.618 17.922 1.00 0.00 C ATOM 1357 C LYS A 91 17.290 -18.913 18.866 1.00 0.00 C ATOM 1358 O LYS A 91 17.395 -20.013 19.411 1.00 0.00 O ATOM 1359 CB LYS A 91 16.402 -19.240 16.551 1.00 0.00 C ATOM 1360 CG LYS A 91 17.789 -18.937 16.011 1.00 0.00 C ATOM 1361 CD LYS A 91 17.734 -18.450 14.572 1.00 0.00 C ATOM 1362 CE LYS A 91 17.994 -19.582 13.590 1.00 0.00 C ATOM 1363 NZ LYS A 91 17.945 -19.112 12.178 1.00 0.00 N ATOM 0 H LYS A 91 16.462 -16.740 17.051 1.00 0.00 H new ATOM 0 HA LYS A 91 15.223 -19.058 18.340 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.276 -20.321 16.620 1.00 0.00 H new ATOM 0 HB3 LYS A 91 15.658 -18.877 15.842 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.266 -18.180 16.634 1.00 0.00 H new ATOM 0 HG3 LYS A 91 18.407 -19.833 16.069 1.00 0.00 H new ATOM 0 HD2 LYS A 91 16.756 -18.011 14.372 1.00 0.00 H new ATOM 0 HD3 LYS A 91 18.473 -17.662 14.425 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.970 -20.022 13.793 1.00 0.00 H new ATOM 0 HE3 LYS A 91 17.253 -20.368 13.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 18.127 -19.912 11.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 17.005 -18.715 11.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.669 -18.380 12.031 1.00 0.00 H new ATOM 1377 N ARG A 92 18.158 -17.925 19.057 1.00 0.00 N ATOM 1378 CA ARG A 92 19.310 -18.080 19.936 1.00 0.00 C ATOM 1379 C ARG A 92 18.885 -18.049 21.401 1.00 0.00 C ATOM 1380 O ARG A 92 19.123 -18.998 22.147 1.00 0.00 O ATOM 1381 CB ARG A 92 20.335 -16.976 19.668 1.00 0.00 C ATOM 1382 CG ARG A 92 21.677 -17.215 20.340 1.00 0.00 C ATOM 1383 CD ARG A 92 22.786 -17.406 19.317 1.00 0.00 C ATOM 1384 NE ARG A 92 23.789 -18.367 19.770 1.00 0.00 N ATOM 1385 CZ ARG A 92 23.602 -19.682 19.763 1.00 0.00 C ATOM 1386 NH1 ARG A 92 22.457 -20.191 19.328 1.00 0.00 N ATOM 1387 NH2 ARG A 92 24.562 -20.492 20.190 1.00 0.00 N ATOM 0 H ARG A 92 18.085 -17.009 18.615 1.00 0.00 H new ATOM 0 HA ARG A 92 19.766 -19.048 19.728 1.00 0.00 H new ATOM 0 HB2 ARG A 92 20.488 -16.887 18.592 1.00 0.00 H new ATOM 0 HB3 ARG A 92 19.930 -16.024 20.012 1.00 0.00 H new ATOM 0 HG2 ARG A 92 21.917 -16.370 20.986 1.00 0.00 H new ATOM 0 HG3 ARG A 92 21.614 -18.096 20.978 1.00 0.00 H new ATOM 0 HD2 ARG A 92 22.356 -17.748 18.376 1.00 0.00 H new ATOM 0 HD3 ARG A 92 23.266 -16.447 19.119 1.00 0.00 H new ATOM 0 HE ARG A 92 24.681 -18.009 20.110 1.00 0.00 H new ATOM 0 HH11 ARG A 92 21.717 -19.572 18.997 1.00 0.00 H new ATOM 0 HH12 ARG A 92 22.317 -21.201 19.324 1.00 0.00 H new ATOM 0 HH21 ARG A 92 25.445 -20.105 20.524 1.00 0.00 H new ATOM 0 HH22 ARG A 92 24.417 -21.502 20.184 1.00 0.00 H new ATOM 1401 N GLU A 93 18.255 -16.950 21.806 1.00 0.00 N ATOM 1402 CA GLU A 93 17.798 -16.796 23.182 1.00 0.00 C ATOM 1403 C GLU A 93 16.283 -16.960 23.274 1.00 0.00 C ATOM 1404 O GLU A 93 15.555 -16.644 22.333 1.00 0.00 O ATOM 1405 CB GLU A 93 18.207 -15.426 23.728 1.00 0.00 C ATOM 1406 CG GLU A 93 19.644 -15.049 23.411 1.00 0.00 C ATOM 1407 CD GLU A 93 20.650 -15.943 24.110 1.00 0.00 C ATOM 1408 OE1 GLU A 93 20.868 -15.752 25.325 1.00 0.00 O ATOM 1409 OE2 GLU A 93 21.218 -16.832 23.443 1.00 0.00 O ATOM 0 H GLU A 93 18.050 -16.155 21.201 1.00 0.00 H new ATOM 0 HA GLU A 93 18.268 -17.574 23.783 1.00 0.00 H new ATOM 0 HB2 GLU A 93 17.542 -14.667 23.316 1.00 0.00 H new ATOM 0 HB3 GLU A 93 18.068 -15.419 24.809 1.00 0.00 H new ATOM 0 HG2 GLU A 93 19.801 -15.105 22.334 1.00 0.00 H new ATOM 0 HG3 GLU A 93 19.817 -14.014 23.705 1.00 0.00 H new ATOM 1416 N SER A 94 15.816 -17.459 24.414 1.00 0.00 N ATOM 1417 CA SER A 94 14.389 -17.670 24.628 1.00 0.00 C ATOM 1418 C SER A 94 13.644 -16.340 24.678 1.00 0.00 C ATOM 1419 O SER A 94 12.555 -16.203 24.121 1.00 0.00 O ATOM 1420 CB SER A 94 14.157 -18.447 25.926 1.00 0.00 C ATOM 1421 OG SER A 94 15.005 -19.580 26.001 1.00 0.00 O ATOM 0 H SER A 94 16.405 -17.725 25.203 1.00 0.00 H new ATOM 0 HA SER A 94 14.003 -18.251 23.790 1.00 0.00 H new ATOM 0 HB2 SER A 94 14.339 -17.796 26.781 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.116 -18.764 25.983 1.00 0.00 H new ATOM 0 HG SER A 94 14.839 -20.058 26.840 1.00 0.00 H new ATOM 1427 N THR A 95 14.240 -15.360 25.351 1.00 0.00 N ATOM 1428 CA THR A 95 13.634 -14.040 25.476 1.00 0.00 C ATOM 1429 C THR A 95 14.158 -13.091 24.405 1.00 0.00 C ATOM 1430 O THR A 95 15.106 -13.412 23.686 1.00 0.00 O ATOM 1431 CB THR A 95 13.902 -13.428 26.864 1.00 0.00 C ATOM 1432 OG1 THR A 95 14.125 -14.468 27.823 1.00 0.00 O ATOM 1433 CG2 THR A 95 12.732 -12.564 27.309 1.00 0.00 C ATOM 0 H THR A 95 15.142 -15.456 25.818 1.00 0.00 H new ATOM 0 HA THR A 95 12.560 -14.172 25.347 1.00 0.00 H new ATOM 0 HB THR A 95 14.791 -12.801 26.795 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.296 -14.071 28.702 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.944 -12.143 28.292 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.583 -11.756 26.592 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.830 -13.173 27.362 1.00 0.00 H new ATOM 1441 N LEU A 96 13.538 -11.921 24.303 1.00 0.00 N ATOM 1442 CA LEU A 96 13.943 -10.923 23.319 1.00 0.00 C ATOM 1443 C LEU A 96 13.917 -9.522 23.921 1.00 0.00 C ATOM 1444 O LEU A 96 12.882 -8.856 23.924 1.00 0.00 O ATOM 1445 CB LEU A 96 13.026 -10.982 22.096 1.00 0.00 C ATOM 1446 CG LEU A 96 13.095 -12.265 21.267 1.00 0.00 C ATOM 1447 CD1 LEU A 96 12.154 -12.181 20.075 1.00 0.00 C ATOM 1448 CD2 LEU A 96 14.522 -12.525 20.805 1.00 0.00 C ATOM 0 H LEU A 96 12.753 -11.640 24.890 1.00 0.00 H new ATOM 0 HA LEU A 96 14.964 -11.147 23.011 1.00 0.00 H new ATOM 0 HB2 LEU A 96 11.998 -10.844 22.431 1.00 0.00 H new ATOM 0 HB3 LEU A 96 13.265 -10.140 21.446 1.00 0.00 H new ATOM 0 HG LEU A 96 12.780 -13.098 21.895 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.216 -13.103 19.497 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.132 -12.042 20.427 1.00 0.00 H new ATOM 0 HD13 LEU A 96 12.438 -11.338 19.446 1.00 0.00 H new ATOM 0 HD21 LEU A 96 14.553 -13.442 20.216 1.00 0.00 H new ATOM 0 HD22 LEU A 96 14.864 -11.690 20.194 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.172 -12.630 21.674 1.00 0.00 H new ATOM 1460 N ASN A 97 15.062 -9.080 24.429 1.00 0.00 N ATOM 1461 CA ASN A 97 15.171 -7.757 25.033 1.00 0.00 C ATOM 1462 C ASN A 97 15.645 -6.729 24.010 1.00 0.00 C ATOM 1463 O ASN A 97 16.792 -6.284 24.048 1.00 0.00 O ATOM 1464 CB ASN A 97 16.135 -7.793 26.221 1.00 0.00 C ATOM 1465 CG ASN A 97 15.535 -8.483 27.431 1.00 0.00 C ATOM 1466 OD1 ASN A 97 15.158 -7.833 28.406 1.00 0.00 O ATOM 1467 ND2 ASN A 97 15.445 -9.806 27.373 1.00 0.00 N ATOM 0 H ASN A 97 15.928 -9.619 24.435 1.00 0.00 H new ATOM 0 HA ASN A 97 14.182 -7.464 25.385 1.00 0.00 H new ATOM 0 HB2 ASN A 97 17.049 -8.309 25.928 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.416 -6.774 26.489 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.050 -10.325 28.157 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.770 -10.303 26.544 1.00 0.00 H new ATOM 1474 N MET A 98 14.754 -6.357 23.097 1.00 0.00 N ATOM 1475 CA MET A 98 15.081 -5.380 22.065 1.00 0.00 C ATOM 1476 C MET A 98 15.000 -3.959 22.615 1.00 0.00 C ATOM 1477 O MET A 98 14.353 -3.713 23.633 1.00 0.00 O ATOM 1478 CB MET A 98 14.136 -5.532 20.871 1.00 0.00 C ATOM 1479 CG MET A 98 13.894 -6.977 20.468 1.00 0.00 C ATOM 1480 SD MET A 98 13.452 -7.148 18.729 1.00 0.00 S ATOM 1481 CE MET A 98 12.750 -8.796 18.718 1.00 0.00 C ATOM 0 H MET A 98 13.801 -6.717 23.051 1.00 0.00 H new ATOM 0 HA MET A 98 16.104 -5.565 21.736 1.00 0.00 H new ATOM 0 HB2 MET A 98 13.181 -5.066 21.113 1.00 0.00 H new ATOM 0 HB3 MET A 98 14.549 -4.990 20.020 1.00 0.00 H new ATOM 0 HG2 MET A 98 14.792 -7.562 20.670 1.00 0.00 H new ATOM 0 HG3 MET A 98 13.097 -7.393 21.084 1.00 0.00 H new ATOM 0 HE1 MET A 98 12.180 -8.942 17.801 1.00 0.00 H new ATOM 0 HE2 MET A 98 13.551 -9.533 18.768 1.00 0.00 H new ATOM 0 HE3 MET A 98 12.091 -8.917 19.578 1.00 0.00 H new ATOM 1491 N VAL A 99 15.662 -3.028 21.936 1.00 0.00 N ATOM 1492 CA VAL A 99 15.664 -1.632 22.356 1.00 0.00 C ATOM 1493 C VAL A 99 15.480 -0.698 21.165 1.00 0.00 C ATOM 1494 O VAL A 99 16.437 -0.376 20.461 1.00 0.00 O ATOM 1495 CB VAL A 99 16.971 -1.266 23.084 1.00 0.00 C ATOM 1496 CG1 VAL A 99 16.913 0.163 23.602 1.00 0.00 C ATOM 1497 CG2 VAL A 99 17.240 -2.243 24.218 1.00 0.00 C ATOM 0 H VAL A 99 16.204 -3.215 21.092 1.00 0.00 H new ATOM 0 HA VAL A 99 14.827 -1.508 23.043 1.00 0.00 H new ATOM 0 HB VAL A 99 17.794 -1.335 22.373 1.00 0.00 H new ATOM 0 HG11 VAL A 99 17.845 0.403 24.113 1.00 0.00 H new ATOM 0 HG12 VAL A 99 16.771 0.848 22.766 1.00 0.00 H new ATOM 0 HG13 VAL A 99 16.081 0.264 24.299 1.00 0.00 H new ATOM 0 HG21 VAL A 99 18.167 -1.970 24.722 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.416 -2.209 24.931 1.00 0.00 H new ATOM 0 HG23 VAL A 99 17.330 -3.252 23.815 1.00 0.00 H new ATOM 1507 N VAL A 100 14.242 -0.267 20.944 1.00 0.00 N ATOM 1508 CA VAL A 100 13.932 0.631 19.838 1.00 0.00 C ATOM 1509 C VAL A 100 13.765 2.066 20.325 1.00 0.00 C ATOM 1510 O VAL A 100 13.390 2.303 21.474 1.00 0.00 O ATOM 1511 CB VAL A 100 12.649 0.197 19.105 1.00 0.00 C ATOM 1512 CG1 VAL A 100 11.434 0.379 20.002 1.00 0.00 C ATOM 1513 CG2 VAL A 100 12.486 0.976 17.809 1.00 0.00 C ATOM 0 H VAL A 100 13.438 -0.525 21.516 1.00 0.00 H new ATOM 0 HA VAL A 100 14.772 0.581 19.145 1.00 0.00 H new ATOM 0 HB VAL A 100 12.733 -0.861 18.858 1.00 0.00 H new ATOM 0 HG11 VAL A 100 10.537 0.067 19.467 1.00 0.00 H new ATOM 0 HG12 VAL A 100 11.550 -0.228 20.900 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.343 1.428 20.283 1.00 0.00 H new ATOM 0 HG21 VAL A 100 11.574 0.656 17.304 1.00 0.00 H new ATOM 0 HG22 VAL A 100 12.424 2.041 18.030 1.00 0.00 H new ATOM 0 HG23 VAL A 100 13.343 0.789 17.162 1.00 0.00 H new ATOM 1523 N ARG A 101 14.045 3.021 19.444 1.00 0.00 N ATOM 1524 CA ARG A 101 13.927 4.434 19.785 1.00 0.00 C ATOM 1525 C ARG A 101 12.567 4.982 19.363 1.00 0.00 C ATOM 1526 O ARG A 101 12.239 5.011 18.177 1.00 0.00 O ATOM 1527 CB ARG A 101 15.043 5.237 19.115 1.00 0.00 C ATOM 1528 CG ARG A 101 16.412 5.014 19.737 1.00 0.00 C ATOM 1529 CD ARG A 101 16.544 5.737 21.068 1.00 0.00 C ATOM 1530 NE ARG A 101 17.940 5.970 21.428 1.00 0.00 N ATOM 1531 CZ ARG A 101 18.328 6.880 22.315 1.00 0.00 C ATOM 1532 NH1 ARG A 101 17.429 7.638 22.929 1.00 0.00 N ATOM 1533 NH2 ARG A 101 19.617 7.033 22.590 1.00 0.00 N ATOM 0 H ARG A 101 14.355 2.842 18.489 1.00 0.00 H new ATOM 0 HA ARG A 101 14.019 4.531 20.867 1.00 0.00 H new ATOM 0 HB2 ARG A 101 15.086 4.972 18.059 1.00 0.00 H new ATOM 0 HB3 ARG A 101 14.798 6.298 19.168 1.00 0.00 H new ATOM 0 HG2 ARG A 101 16.577 3.947 19.884 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.185 5.365 19.053 1.00 0.00 H new ATOM 0 HD2 ARG A 101 16.019 6.691 21.016 1.00 0.00 H new ATOM 0 HD3 ARG A 101 16.061 5.150 21.849 1.00 0.00 H new ATOM 0 HE ARG A 101 18.656 5.403 20.974 1.00 0.00 H new ATOM 0 HH11 ARG A 101 16.437 7.523 22.721 1.00 0.00 H new ATOM 0 HH12 ARG A 101 17.730 8.336 23.610 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.311 6.452 22.120 1.00 0.00 H new ATOM 0 HH22 ARG A 101 19.914 7.732 23.271 1.00 0.00 H new ATOM 1547 N ARG A 102 11.780 5.416 20.343 1.00 0.00 N ATOM 1548 CA ARG A 102 10.455 5.962 20.073 1.00 0.00 C ATOM 1549 C ARG A 102 10.343 7.394 20.587 1.00 0.00 C ATOM 1550 O ARG A 102 10.628 7.671 21.751 1.00 0.00 O ATOM 1551 CB ARG A 102 9.379 5.090 20.723 1.00 0.00 C ATOM 1552 CG ARG A 102 8.440 4.436 19.723 1.00 0.00 C ATOM 1553 CD ARG A 102 7.805 3.178 20.295 1.00 0.00 C ATOM 1554 NE ARG A 102 8.350 1.966 19.689 1.00 0.00 N ATOM 1555 CZ ARG A 102 7.929 0.742 19.988 1.00 0.00 C ATOM 1556 NH1 ARG A 102 6.964 0.568 20.880 1.00 0.00 N ATOM 1557 NH2 ARG A 102 8.475 -0.312 19.394 1.00 0.00 N ATOM 0 H ARG A 102 12.037 5.400 21.330 1.00 0.00 H new ATOM 0 HA ARG A 102 10.305 5.969 18.993 1.00 0.00 H new ATOM 0 HB2 ARG A 102 9.862 4.314 21.317 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.795 5.701 21.411 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.660 5.142 19.440 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.990 4.187 18.815 1.00 0.00 H new ATOM 0 HD2 ARG A 102 7.966 3.148 21.373 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.727 3.211 20.134 1.00 0.00 H new ATOM 0 HE ARG A 102 9.094 2.065 18.999 1.00 0.00 H new ATOM 0 HH11 ARG A 102 6.542 1.375 21.339 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.643 -0.373 21.107 1.00 0.00 H new ATOM 0 HH21 ARG A 102 9.218 -0.182 18.708 1.00 0.00 H new ATOM 0 HH22 ARG A 102 8.151 -1.252 19.624 1.00 0.00 H new ATOM 1571 N GLY A 103 9.925 8.301 19.709 1.00 0.00 N ATOM 1572 CA GLY A 103 9.783 9.694 20.092 1.00 0.00 C ATOM 1573 C GLY A 103 11.120 10.388 20.263 1.00 0.00 C ATOM 1574 O GLY A 103 11.600 11.058 19.349 1.00 0.00 O ATOM 0 H GLY A 103 9.682 8.096 18.740 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.199 10.218 19.335 1.00 0.00 H new ATOM 0 HA3 GLY A 103 9.223 9.756 21.025 1.00 0.00 H new ATOM 1578 N ASN A 104 11.722 10.228 21.437 1.00 0.00 N ATOM 1579 CA ASN A 104 13.011 10.847 21.725 1.00 0.00 C ATOM 1580 C ASN A 104 13.719 10.122 22.865 1.00 0.00 C ATOM 1581 O ASN A 104 14.392 10.744 23.686 1.00 0.00 O ATOM 1582 CB ASN A 104 12.823 12.322 22.082 1.00 0.00 C ATOM 1583 CG ASN A 104 12.647 13.196 20.856 1.00 0.00 C ATOM 1584 OD1 ASN A 104 13.567 13.352 20.053 1.00 0.00 O ATOM 1585 ND2 ASN A 104 11.460 13.772 20.705 1.00 0.00 N ATOM 0 H ASN A 104 11.338 9.675 22.204 1.00 0.00 H new ATOM 0 HA ASN A 104 13.630 10.773 20.831 1.00 0.00 H new ATOM 0 HB2 ASN A 104 11.952 12.428 22.729 1.00 0.00 H new ATOM 0 HB3 ASN A 104 13.686 12.668 22.651 1.00 0.00 H new ATOM 0 HD21 ASN A 104 11.283 14.371 19.899 1.00 0.00 H new ATOM 0 HD22 ASN A 104 10.726 13.615 21.395 1.00 0.00 H new ATOM 1592 N GLU A 105 13.562 8.802 22.909 1.00 0.00 N ATOM 1593 CA GLU A 105 14.187 7.993 23.949 1.00 0.00 C ATOM 1594 C GLU A 105 14.230 6.523 23.541 1.00 0.00 C ATOM 1595 O GLU A 105 13.660 6.133 22.522 1.00 0.00 O ATOM 1596 CB GLU A 105 13.429 8.146 25.269 1.00 0.00 C ATOM 1597 CG GLU A 105 11.920 8.059 25.118 1.00 0.00 C ATOM 1598 CD GLU A 105 11.215 7.810 26.437 1.00 0.00 C ATOM 1599 OE1 GLU A 105 11.624 6.879 27.162 1.00 0.00 O ATOM 1600 OE2 GLU A 105 10.254 8.547 26.745 1.00 0.00 O ATOM 0 H GLU A 105 13.008 8.271 22.237 1.00 0.00 H new ATOM 0 HA GLU A 105 15.210 8.345 24.083 1.00 0.00 H new ATOM 0 HB2 GLU A 105 13.762 7.372 25.961 1.00 0.00 H new ATOM 0 HB3 GLU A 105 13.686 9.106 25.717 1.00 0.00 H new ATOM 0 HG2 GLU A 105 11.548 8.986 24.681 1.00 0.00 H new ATOM 0 HG3 GLU A 105 11.674 7.257 24.422 1.00 0.00 H new ATOM 1607 N ASP A 106 14.911 5.713 24.345 1.00 0.00 N ATOM 1608 CA ASP A 106 15.029 4.286 24.070 1.00 0.00 C ATOM 1609 C ASP A 106 14.025 3.488 24.896 1.00 0.00 C ATOM 1610 O ASP A 106 13.910 3.682 26.107 1.00 0.00 O ATOM 1611 CB ASP A 106 16.450 3.803 24.366 1.00 0.00 C ATOM 1612 CG ASP A 106 16.839 4.006 25.817 1.00 0.00 C ATOM 1613 OD1 ASP A 106 16.816 5.165 26.282 1.00 0.00 O ATOM 1614 OD2 ASP A 106 17.166 3.005 26.488 1.00 0.00 O ATOM 0 H ASP A 106 15.389 6.020 25.192 1.00 0.00 H new ATOM 0 HA ASP A 106 14.812 4.126 23.014 1.00 0.00 H new ATOM 0 HB2 ASP A 106 16.531 2.745 24.116 1.00 0.00 H new ATOM 0 HB3 ASP A 106 17.153 4.337 23.726 1.00 0.00 H new ATOM 1619 N ILE A 107 13.300 2.592 24.234 1.00 0.00 N ATOM 1620 CA ILE A 107 12.307 1.766 24.908 1.00 0.00 C ATOM 1621 C ILE A 107 12.604 0.283 24.717 1.00 0.00 C ATOM 1622 O ILE A 107 12.922 -0.160 23.613 1.00 0.00 O ATOM 1623 CB ILE A 107 10.885 2.063 24.394 1.00 0.00 C ATOM 1624 CG1 ILE A 107 10.598 3.564 24.463 1.00 0.00 C ATOM 1625 CG2 ILE A 107 9.857 1.284 25.199 1.00 0.00 C ATOM 1626 CD1 ILE A 107 9.252 3.949 23.889 1.00 0.00 C ATOM 0 H ILE A 107 13.382 2.420 23.232 1.00 0.00 H new ATOM 0 HA ILE A 107 12.360 2.011 25.969 1.00 0.00 H new ATOM 0 HB ILE A 107 10.817 1.747 23.353 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.646 3.888 25.503 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.380 4.100 23.925 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.858 1.505 24.824 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.053 0.216 25.103 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.922 1.572 26.248 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.116 5.027 23.971 1.00 0.00 H new ATOM 0 HD12 ILE A 107 9.207 3.657 22.840 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.462 3.441 24.442 1.00 0.00 H new ATOM 1638 N MET A 108 12.498 -0.481 25.799 1.00 0.00 N ATOM 1639 CA MET A 108 12.753 -1.916 25.750 1.00 0.00 C ATOM 1640 C MET A 108 11.515 -2.672 25.278 1.00 0.00 C ATOM 1641 O MET A 108 10.392 -2.345 25.663 1.00 0.00 O ATOM 1642 CB MET A 108 13.182 -2.427 27.127 1.00 0.00 C ATOM 1643 CG MET A 108 14.604 -2.041 27.502 1.00 0.00 C ATOM 1644 SD MET A 108 15.395 -3.259 28.571 1.00 0.00 S ATOM 1645 CE MET A 108 16.755 -3.789 27.533 1.00 0.00 C ATOM 0 H MET A 108 12.237 -0.130 26.721 1.00 0.00 H new ATOM 0 HA MET A 108 13.559 -2.092 25.038 1.00 0.00 H new ATOM 0 HB2 MET A 108 12.498 -2.036 27.880 1.00 0.00 H new ATOM 0 HB3 MET A 108 13.092 -3.513 27.147 1.00 0.00 H new ATOM 0 HG2 MET A 108 15.195 -1.921 26.594 1.00 0.00 H new ATOM 0 HG3 MET A 108 14.593 -1.074 28.005 1.00 0.00 H new ATOM 0 HE1 MET A 108 17.340 -4.545 28.057 1.00 0.00 H new ATOM 0 HE2 MET A 108 16.363 -4.211 26.607 1.00 0.00 H new ATOM 0 HE3 MET A 108 17.391 -2.934 27.302 1.00 0.00 H new ATOM 1655 N ILE A 109 11.728 -3.683 24.442 1.00 0.00 N ATOM 1656 CA ILE A 109 10.629 -4.485 23.919 1.00 0.00 C ATOM 1657 C ILE A 109 10.839 -5.966 24.217 1.00 0.00 C ATOM 1658 O ILE A 109 11.569 -6.657 23.505 1.00 0.00 O ATOM 1659 CB ILE A 109 10.469 -4.296 22.399 1.00 0.00 C ATOM 1660 CG1 ILE A 109 10.342 -2.810 22.058 1.00 0.00 C ATOM 1661 CG2 ILE A 109 9.258 -5.067 21.894 1.00 0.00 C ATOM 1662 CD1 ILE A 109 9.149 -2.142 22.705 1.00 0.00 C ATOM 0 H ILE A 109 12.651 -3.966 24.113 1.00 0.00 H new ATOM 0 HA ILE A 109 9.722 -4.142 24.417 1.00 0.00 H new ATOM 0 HB ILE A 109 11.357 -4.688 21.904 1.00 0.00 H new ATOM 0 HG12 ILE A 109 11.250 -2.295 22.370 1.00 0.00 H new ATOM 0 HG13 ILE A 109 10.268 -2.699 20.976 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.158 -4.924 20.818 1.00 0.00 H new ATOM 0 HG22 ILE A 109 9.387 -6.128 22.108 1.00 0.00 H new ATOM 0 HG23 ILE A 109 8.360 -4.702 22.393 1.00 0.00 H new ATOM 0 HD11 ILE A 109 9.122 -1.090 22.420 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.234 -2.632 22.373 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.231 -2.222 23.789 1.00 0.00 H new ATOM 1674 N THR A 110 10.193 -6.449 25.273 1.00 0.00 N ATOM 1675 CA THR A 110 10.308 -7.848 25.666 1.00 0.00 C ATOM 1676 C THR A 110 9.342 -8.722 24.874 1.00 0.00 C ATOM 1677 O THR A 110 8.125 -8.565 24.972 1.00 0.00 O ATOM 1678 CB THR A 110 10.036 -8.033 27.170 1.00 0.00 C ATOM 1679 OG1 THR A 110 10.751 -7.048 27.923 1.00 0.00 O ATOM 1680 CG2 THR A 110 10.447 -9.425 27.627 1.00 0.00 C ATOM 0 H THR A 110 9.584 -5.892 25.872 1.00 0.00 H new ATOM 0 HA THR A 110 11.331 -8.154 25.450 1.00 0.00 H new ATOM 0 HB THR A 110 8.966 -7.913 27.340 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.571 -7.172 28.878 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.245 -9.532 28.693 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.879 -10.172 27.073 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.512 -9.569 27.443 1.00 0.00 H new ATOM 1688 N VAL A 111 9.892 -9.644 24.091 1.00 0.00 N ATOM 1689 CA VAL A 111 9.078 -10.545 23.283 1.00 0.00 C ATOM 1690 C VAL A 111 9.429 -12.002 23.563 1.00 0.00 C ATOM 1691 O VAL A 111 10.593 -12.339 23.784 1.00 0.00 O ATOM 1692 CB VAL A 111 9.256 -10.266 21.779 1.00 0.00 C ATOM 1693 CG1 VAL A 111 8.464 -11.267 20.953 1.00 0.00 C ATOM 1694 CG2 VAL A 111 8.837 -8.841 21.449 1.00 0.00 C ATOM 0 H VAL A 111 10.898 -9.787 23.999 1.00 0.00 H new ATOM 0 HA VAL A 111 8.039 -10.365 23.558 1.00 0.00 H new ATOM 0 HB VAL A 111 10.311 -10.378 21.529 1.00 0.00 H new ATOM 0 HG11 VAL A 111 8.602 -11.054 19.893 1.00 0.00 H new ATOM 0 HG12 VAL A 111 8.815 -12.276 21.169 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.406 -11.190 21.204 1.00 0.00 H new ATOM 0 HG21 VAL A 111 8.969 -8.661 20.382 1.00 0.00 H new ATOM 0 HG22 VAL A 111 7.789 -8.699 21.714 1.00 0.00 H new ATOM 0 HG23 VAL A 111 9.452 -8.141 22.014 1.00 0.00 H new ATOM 1704 N ILE A 112 8.416 -12.862 23.551 1.00 0.00 N ATOM 1705 CA ILE A 112 8.618 -14.283 23.802 1.00 0.00 C ATOM 1706 C ILE A 112 8.309 -15.110 22.559 1.00 0.00 C ATOM 1707 O ILE A 112 7.189 -15.582 22.360 1.00 0.00 O ATOM 1708 CB ILE A 112 7.741 -14.779 24.967 1.00 0.00 C ATOM 1709 CG1 ILE A 112 7.898 -13.860 26.180 1.00 0.00 C ATOM 1710 CG2 ILE A 112 8.104 -16.211 25.330 1.00 0.00 C ATOM 1711 CD1 ILE A 112 9.327 -13.729 26.658 1.00 0.00 C ATOM 0 H ILE A 112 7.447 -12.599 23.370 1.00 0.00 H new ATOM 0 HA ILE A 112 9.667 -14.411 24.068 1.00 0.00 H new ATOM 0 HB ILE A 112 6.698 -14.758 24.652 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.516 -12.871 25.928 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.284 -14.241 26.996 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.476 -16.548 26.155 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.946 -16.857 24.466 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.151 -16.256 25.629 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.363 -13.063 27.520 1.00 0.00 H new ATOM 0 HD12 ILE A 112 9.707 -14.710 26.942 1.00 0.00 H new ATOM 0 HD13 ILE A 112 9.942 -13.319 25.857 1.00 0.00 H new ATOM 1723 N PRO A 113 9.324 -15.294 21.703 1.00 0.00 N ATOM 1724 CA PRO A 113 9.186 -16.067 20.465 1.00 0.00 C ATOM 1725 C PRO A 113 9.011 -17.558 20.729 1.00 0.00 C ATOM 1726 O PRO A 113 9.760 -18.152 21.505 1.00 0.00 O ATOM 1727 CB PRO A 113 10.505 -15.805 19.734 1.00 0.00 C ATOM 1728 CG PRO A 113 11.476 -15.471 20.813 1.00 0.00 C ATOM 1729 CD PRO A 113 10.686 -14.761 21.877 1.00 0.00 C ATOM 0 HA PRO A 113 8.303 -15.773 19.898 1.00 0.00 H new ATOM 0 HB2 PRO A 113 10.826 -16.681 19.170 1.00 0.00 H new ATOM 0 HB3 PRO A 113 10.407 -14.986 19.022 1.00 0.00 H new ATOM 0 HG2 PRO A 113 11.943 -16.372 21.210 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.278 -14.837 20.434 1.00 0.00 H new ATOM 0 HD2 PRO A 113 11.075 -14.970 22.873 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.714 -13.679 21.744 1.00 0.00 H new ATOM 1737 N GLU A 114 8.018 -18.158 20.079 1.00 0.00 N ATOM 1738 CA GLU A 114 7.746 -19.580 20.246 1.00 0.00 C ATOM 1739 C GLU A 114 8.521 -20.406 19.223 1.00 0.00 C ATOM 1740 O GLU A 114 8.667 -20.004 18.069 1.00 0.00 O ATOM 1741 CB GLU A 114 6.247 -19.855 20.109 1.00 0.00 C ATOM 1742 CG GLU A 114 5.378 -18.899 20.909 1.00 0.00 C ATOM 1743 CD GLU A 114 5.590 -19.030 22.404 1.00 0.00 C ATOM 1744 OE1 GLU A 114 5.295 -20.112 22.954 1.00 0.00 O ATOM 1745 OE2 GLU A 114 6.052 -18.050 23.025 1.00 0.00 O ATOM 0 H GLU A 114 7.389 -17.681 19.433 1.00 0.00 H new ATOM 0 HA GLU A 114 8.072 -19.871 21.245 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.969 -19.792 19.057 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.042 -20.876 20.432 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.594 -17.875 20.604 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.330 -19.086 20.677 1.00 0.00 H new