USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=23 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= -0.33 X(o=-0.33,f=-0.46) USER MOD Set 2.1: A 19 LYS NZ :NH3+ -176:sc= 0.19 (180deg=0.145) USER MOD Set 2.2: A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -123:sc= -0.36 (180deg=-6.76!) USER MOD Single : A 26 MET CE :methyl -137:sc= -1.43 (180deg=-4.95!) USER MOD Single : A 27 SER OG : rot 40:sc= 0.751 USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.34 USER MOD Single : A 30 SER OG : rot 180:sc= 0 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+ 141:sc= 0.848 (180deg=0.147) USER MOD Single : A 40 HIS :FLIP no HD1:sc= -0.796 F(o=-2.2!,f=-0.8) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0675 USER MOD Single : A 59 THR OG1 : rot -128: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= -0.0533 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 79 SER OG : rot -43:sc= 0.0526 USER MOD Single : A 82 SER OG : rot 47:sc= 0.297 USER MOD Single : A 84 ASN : amide:sc= -0.0485 X(o=-0.048,f=-0.33) USER MOD Single : A 87 SER OG : rot -54:sc= 0.832 USER MOD Single : A 91 LYS NZ :NH3+ -164:sc= -0.0554 (180deg=-0.36) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.438 X(o=-0.44,f=-0.0089) USER MOD Single : A 98 MET CE :methyl 163:sc= -1.24 (180deg=-1.51) USER MOD Single : A 104 ASN : amide:sc= -1.25 X(o=-1.3,f=-1.2) USER MOD Single : A 108 MET CE :methyl -174:sc= 0 (180deg=-0.0664) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 255 N LYS A 19 11.995 -20.529 15.671 1.00 0.00 N ATOM 256 CA LYS A 19 11.219 -19.519 16.382 1.00 0.00 C ATOM 257 C LYS A 19 10.500 -18.597 15.402 1.00 0.00 C ATOM 258 O LYS A 19 10.900 -18.471 14.245 1.00 0.00 O ATOM 259 CB LYS A 19 12.130 -18.698 17.297 1.00 0.00 C ATOM 260 CG LYS A 19 12.609 -19.459 18.521 1.00 0.00 C ATOM 261 CD LYS A 19 11.752 -19.153 19.738 1.00 0.00 C ATOM 262 CE LYS A 19 12.003 -20.148 20.861 1.00 0.00 C ATOM 263 NZ LYS A 19 12.196 -19.468 22.171 1.00 0.00 N ATOM 0 HA LYS A 19 10.471 -20.030 16.988 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.996 -18.362 16.727 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.596 -17.805 17.621 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.585 -20.530 18.318 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.646 -19.198 18.730 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.965 -18.144 20.090 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.699 -19.177 19.458 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.162 -20.837 20.930 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.885 -20.744 20.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.431 -20.174 22.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.971 -18.779 22.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 11.320 -18.975 22.439 1.00 0.00 H new ATOM 277 N TYR A 20 9.438 -17.954 15.874 1.00 0.00 N ATOM 278 CA TYR A 20 8.662 -17.044 15.040 1.00 0.00 C ATOM 279 C TYR A 20 7.926 -16.016 15.893 1.00 0.00 C ATOM 280 O TYR A 20 7.579 -16.282 17.044 1.00 0.00 O ATOM 281 CB TYR A 20 7.661 -17.827 14.189 1.00 0.00 C ATOM 282 CG TYR A 20 6.255 -17.818 14.745 1.00 0.00 C ATOM 283 CD1 TYR A 20 5.951 -18.479 15.928 1.00 0.00 C ATOM 284 CD2 TYR A 20 5.232 -17.146 14.088 1.00 0.00 C ATOM 285 CE1 TYR A 20 4.668 -18.474 16.440 1.00 0.00 C ATOM 286 CE2 TYR A 20 3.946 -17.134 14.593 1.00 0.00 C ATOM 287 CZ TYR A 20 3.669 -17.800 15.768 1.00 0.00 C ATOM 288 OH TYR A 20 2.389 -17.791 16.275 1.00 0.00 O ATOM 0 H TYR A 20 9.095 -18.046 16.830 1.00 0.00 H new ATOM 0 HA TYR A 20 9.353 -16.516 14.383 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.647 -17.409 13.183 1.00 0.00 H new ATOM 0 HB3 TYR A 20 8.001 -18.859 14.101 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.731 -19.006 16.457 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.446 -16.624 13.167 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.448 -18.994 17.360 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.162 -16.606 14.070 1.00 0.00 H new ATOM 0 HH TYR A 20 1.806 -17.271 15.683 1.00 0.00 H new ATOM 298 N ILE A 21 7.691 -14.841 15.320 1.00 0.00 N ATOM 299 CA ILE A 21 6.995 -13.772 16.026 1.00 0.00 C ATOM 300 C ILE A 21 6.163 -12.929 15.066 1.00 0.00 C ATOM 301 O ILE A 21 5.732 -11.828 15.404 1.00 0.00 O ATOM 302 CB ILE A 21 7.981 -12.856 16.774 1.00 0.00 C ATOM 303 CG1 ILE A 21 9.024 -12.295 15.805 1.00 0.00 C ATOM 304 CG2 ILE A 21 8.656 -13.616 17.906 1.00 0.00 C ATOM 305 CD1 ILE A 21 9.834 -11.155 16.383 1.00 0.00 C ATOM 0 H ILE A 21 7.972 -14.605 14.368 1.00 0.00 H new ATOM 0 HA ILE A 21 6.335 -14.250 16.750 1.00 0.00 H new ATOM 0 HB ILE A 21 7.426 -12.022 17.204 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.700 -13.096 15.508 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.521 -11.951 14.901 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.350 -12.955 18.425 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.901 -13.972 18.607 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.202 -14.467 17.498 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.553 -10.807 15.641 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.168 -10.336 16.654 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.365 -11.499 17.270 1.00 0.00 H new ATOM 317 N GLY A 22 5.940 -13.456 13.865 1.00 0.00 N ATOM 318 CA GLY A 22 5.159 -12.739 12.874 1.00 0.00 C ATOM 319 C GLY A 22 5.607 -11.300 12.712 1.00 0.00 C ATOM 320 O GLY A 22 4.977 -10.383 13.239 1.00 0.00 O ATOM 0 H GLY A 22 6.286 -14.366 13.561 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.237 -13.251 11.915 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.108 -12.759 13.161 1.00 0.00 H new ATOM 324 N ILE A 23 6.700 -11.102 11.983 1.00 0.00 N ATOM 325 CA ILE A 23 7.233 -9.764 11.754 1.00 0.00 C ATOM 326 C ILE A 23 7.950 -9.681 10.411 1.00 0.00 C ATOM 327 O ILE A 23 8.732 -10.564 10.057 1.00 0.00 O ATOM 328 CB ILE A 23 8.208 -9.348 12.871 1.00 0.00 C ATOM 329 CG1 ILE A 23 9.448 -10.244 12.856 1.00 0.00 C ATOM 330 CG2 ILE A 23 7.519 -9.410 14.226 1.00 0.00 C ATOM 331 CD1 ILE A 23 10.678 -9.565 12.296 1.00 0.00 C ATOM 0 H ILE A 23 7.234 -11.850 11.541 1.00 0.00 H new ATOM 0 HA ILE A 23 6.383 -9.081 11.752 1.00 0.00 H new ATOM 0 HB ILE A 23 8.524 -8.320 12.693 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.658 -10.577 13.872 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.235 -11.136 12.266 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.221 -9.113 15.005 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.664 -8.734 14.231 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.177 -10.428 14.414 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.518 -10.259 12.316 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.487 -9.256 11.268 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.917 -8.689 12.899 1.00 0.00 H new ATOM 343 N ARG A 24 7.681 -8.612 9.668 1.00 0.00 N ATOM 344 CA ARG A 24 8.302 -8.413 8.364 1.00 0.00 C ATOM 345 C ARG A 24 9.290 -7.251 8.404 1.00 0.00 C ATOM 346 O ARG A 24 8.963 -6.161 8.873 1.00 0.00 O ATOM 347 CB ARG A 24 7.233 -8.151 7.301 1.00 0.00 C ATOM 348 CG ARG A 24 6.191 -9.253 7.200 1.00 0.00 C ATOM 349 CD ARG A 24 5.559 -9.297 5.818 1.00 0.00 C ATOM 350 NE ARG A 24 4.984 -10.606 5.520 1.00 0.00 N ATOM 351 CZ ARG A 24 4.349 -10.890 4.388 1.00 0.00 C ATOM 352 NH1 ARG A 24 4.208 -9.961 3.453 1.00 0.00 N ATOM 353 NH2 ARG A 24 3.854 -12.105 4.191 1.00 0.00 N ATOM 0 H ARG A 24 7.038 -7.871 9.947 1.00 0.00 H new ATOM 0 HA ARG A 24 8.846 -9.322 8.106 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.733 -7.209 7.526 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.718 -8.031 6.332 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.654 -10.215 7.420 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.417 -9.093 7.950 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.782 -8.536 5.751 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.311 -9.052 5.068 1.00 0.00 H new ATOM 0 HE ARG A 24 5.075 -11.343 6.219 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.587 -9.026 3.602 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.720 -10.181 2.585 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.961 -12.822 4.909 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.367 -12.322 3.322 1.00 0.00 H new ATOM 367 N MET A 25 10.500 -7.492 7.910 1.00 0.00 N ATOM 368 CA MET A 25 11.535 -6.465 7.889 1.00 0.00 C ATOM 369 C MET A 25 12.342 -6.533 6.596 1.00 0.00 C ATOM 370 O MET A 25 12.409 -7.579 5.950 1.00 0.00 O ATOM 371 CB MET A 25 12.465 -6.624 9.093 1.00 0.00 C ATOM 372 CG MET A 25 11.730 -6.875 10.400 1.00 0.00 C ATOM 373 SD MET A 25 12.812 -6.765 11.838 1.00 0.00 S ATOM 374 CE MET A 25 13.725 -8.299 11.692 1.00 0.00 C ATOM 0 H MET A 25 10.788 -8.389 7.519 1.00 0.00 H new ATOM 0 HA MET A 25 11.047 -5.492 7.941 1.00 0.00 H new ATOM 0 HB2 MET A 25 13.150 -7.451 8.906 1.00 0.00 H new ATOM 0 HB3 MET A 25 13.072 -5.724 9.194 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.922 -6.151 10.502 1.00 0.00 H new ATOM 0 HG3 MET A 25 11.271 -7.863 10.370 1.00 0.00 H new ATOM 0 HE1 MET A 25 13.603 -8.883 12.604 1.00 0.00 H new ATOM 0 HE2 MET A 25 13.347 -8.868 10.843 1.00 0.00 H new ATOM 0 HE3 MET A 25 14.782 -8.080 11.540 1.00 0.00 H new ATOM 384 N MET A 26 12.952 -5.413 6.225 1.00 0.00 N ATOM 385 CA MET A 26 13.755 -5.346 5.009 1.00 0.00 C ATOM 386 C MET A 26 15.159 -4.835 5.312 1.00 0.00 C ATOM 387 O MET A 26 15.340 -3.948 6.146 1.00 0.00 O ATOM 388 CB MET A 26 13.081 -4.441 3.976 1.00 0.00 C ATOM 389 CG MET A 26 12.973 -2.990 4.419 1.00 0.00 C ATOM 390 SD MET A 26 14.081 -1.900 3.505 1.00 0.00 S ATOM 391 CE MET A 26 13.353 -0.303 3.860 1.00 0.00 C ATOM 0 H MET A 26 12.906 -4.539 6.749 1.00 0.00 H new ATOM 0 HA MET A 26 13.835 -6.353 4.601 1.00 0.00 H new ATOM 0 HB2 MET A 26 13.643 -4.487 3.043 1.00 0.00 H new ATOM 0 HB3 MET A 26 12.082 -4.824 3.766 1.00 0.00 H new ATOM 0 HG2 MET A 26 11.946 -2.650 4.288 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.199 -2.921 5.483 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.326 0.295 2.949 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.339 -0.441 4.234 1.00 0.00 H new ATOM 0 HE3 MET A 26 13.951 0.210 4.613 1.00 0.00 H new ATOM 401 N SER A 27 16.150 -5.400 4.631 1.00 0.00 N ATOM 402 CA SER A 27 17.539 -5.004 4.830 1.00 0.00 C ATOM 403 C SER A 27 17.696 -3.491 4.705 1.00 0.00 C ATOM 404 O SER A 27 17.598 -2.934 3.611 1.00 0.00 O ATOM 405 CB SER A 27 18.444 -5.708 3.817 1.00 0.00 C ATOM 406 OG SER A 27 18.084 -5.367 2.489 1.00 0.00 O ATOM 0 H SER A 27 16.017 -6.134 3.936 1.00 0.00 H new ATOM 0 HA SER A 27 17.834 -5.301 5.836 1.00 0.00 H new ATOM 0 HB2 SER A 27 19.483 -5.431 3.998 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.374 -6.788 3.950 1.00 0.00 H new ATOM 0 HG SER A 27 17.865 -4.413 2.444 1.00 0.00 H new ATOM 412 N LEU A 28 17.940 -2.833 5.832 1.00 0.00 N ATOM 413 CA LEU A 28 18.111 -1.384 5.850 1.00 0.00 C ATOM 414 C LEU A 28 19.453 -0.986 5.244 1.00 0.00 C ATOM 415 O LEU A 28 20.497 -1.524 5.613 1.00 0.00 O ATOM 416 CB LEU A 28 18.009 -0.857 7.283 1.00 0.00 C ATOM 417 CG LEU A 28 16.963 0.233 7.524 1.00 0.00 C ATOM 418 CD1 LEU A 28 16.873 0.568 9.004 1.00 0.00 C ATOM 419 CD2 LEU A 28 17.292 1.477 6.712 1.00 0.00 C ATOM 0 H LEU A 28 18.024 -3.279 6.745 1.00 0.00 H new ATOM 0 HA LEU A 28 17.317 -0.942 5.249 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.789 -1.696 7.943 1.00 0.00 H new ATOM 0 HB3 LEU A 28 18.984 -0.468 7.576 1.00 0.00 H new ATOM 0 HG LEU A 28 15.993 -0.142 7.198 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.124 1.345 9.156 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.589 -0.324 9.562 1.00 0.00 H new ATOM 0 HD13 LEU A 28 17.841 0.923 9.356 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.537 2.242 6.896 1.00 0.00 H new ATOM 0 HD22 LEU A 28 18.271 1.855 7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 28 17.304 1.227 5.651 1.00 0.00 H new ATOM 431 N THR A 29 19.418 -0.038 4.313 1.00 0.00 N ATOM 432 CA THR A 29 20.631 0.433 3.656 1.00 0.00 C ATOM 433 C THR A 29 20.903 1.895 3.988 1.00 0.00 C ATOM 434 O THR A 29 19.979 2.664 4.256 1.00 0.00 O ATOM 435 CB THR A 29 20.540 0.274 2.127 1.00 0.00 C ATOM 436 OG1 THR A 29 19.457 1.059 1.616 1.00 0.00 O ATOM 437 CG2 THR A 29 20.339 -1.185 1.745 1.00 0.00 C ATOM 0 H THR A 29 18.563 0.419 3.997 1.00 0.00 H new ATOM 0 HA THR A 29 21.451 -0.180 4.029 1.00 0.00 H new ATOM 0 HB THR A 29 21.477 0.621 1.692 1.00 0.00 H new ATOM 0 HG1 THR A 29 19.407 0.954 0.643 1.00 0.00 H new ATOM 0 HG21 THR A 29 20.278 -1.272 0.660 1.00 0.00 H new ATOM 0 HG22 THR A 29 21.179 -1.776 2.109 1.00 0.00 H new ATOM 0 HG23 THR A 29 19.416 -1.554 2.191 1.00 0.00 H new ATOM 445 N SER A 30 22.177 2.274 3.969 1.00 0.00 N ATOM 446 CA SER A 30 22.571 3.645 4.271 1.00 0.00 C ATOM 447 C SER A 30 21.867 4.631 3.344 1.00 0.00 C ATOM 448 O SER A 30 21.651 5.789 3.699 1.00 0.00 O ATOM 449 CB SER A 30 24.088 3.803 4.144 1.00 0.00 C ATOM 450 OG SER A 30 24.458 4.105 2.810 1.00 0.00 O ATOM 0 H SER A 30 22.954 1.651 3.748 1.00 0.00 H new ATOM 0 HA SER A 30 22.274 3.863 5.297 1.00 0.00 H new ATOM 0 HB2 SER A 30 24.431 4.596 4.809 1.00 0.00 H new ATOM 0 HB3 SER A 30 24.581 2.884 4.463 1.00 0.00 H new ATOM 0 HG SER A 30 25.432 4.203 2.755 1.00 0.00 H new ATOM 456 N SER A 31 21.510 4.161 2.152 1.00 0.00 N ATOM 457 CA SER A 31 20.834 5.000 1.171 1.00 0.00 C ATOM 458 C SER A 31 19.331 5.037 1.432 1.00 0.00 C ATOM 459 O SER A 31 18.657 6.018 1.116 1.00 0.00 O ATOM 460 CB SER A 31 21.104 4.486 -0.244 1.00 0.00 C ATOM 461 OG SER A 31 22.377 4.905 -0.704 1.00 0.00 O ATOM 0 H SER A 31 21.678 3.203 1.843 1.00 0.00 H new ATOM 0 HA SER A 31 21.227 6.012 1.263 1.00 0.00 H new ATOM 0 HB2 SER A 31 21.050 3.397 -0.255 1.00 0.00 H new ATOM 0 HB3 SER A 31 20.331 4.851 -0.921 1.00 0.00 H new ATOM 0 HG SER A 31 22.527 4.562 -1.610 1.00 0.00 H new ATOM 467 N LYS A 32 18.811 3.960 2.011 1.00 0.00 N ATOM 468 CA LYS A 32 17.388 3.867 2.317 1.00 0.00 C ATOM 469 C LYS A 32 17.056 4.629 3.595 1.00 0.00 C ATOM 470 O LYS A 32 16.063 5.354 3.657 1.00 0.00 O ATOM 471 CB LYS A 32 16.971 2.401 2.460 1.00 0.00 C ATOM 472 CG LYS A 32 15.495 2.216 2.767 1.00 0.00 C ATOM 473 CD LYS A 32 14.630 2.540 1.560 1.00 0.00 C ATOM 474 CE LYS A 32 14.531 1.356 0.611 1.00 0.00 C ATOM 475 NZ LYS A 32 13.327 1.443 -0.261 1.00 0.00 N ATOM 0 H LYS A 32 19.354 3.139 2.278 1.00 0.00 H new ATOM 0 HA LYS A 32 16.834 4.317 1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.211 1.872 1.538 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.559 1.940 3.254 1.00 0.00 H new ATOM 0 HG2 LYS A 32 15.314 1.188 3.080 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.213 2.858 3.601 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.632 2.825 1.892 1.00 0.00 H new ATOM 0 HD3 LYS A 32 15.047 3.397 1.032 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.426 1.312 -0.009 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.496 0.431 1.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 13.296 0.618 -0.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.471 1.459 0.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 13.372 2.313 -0.829 1.00 0.00 H new ATOM 489 N ALA A 33 17.892 4.460 4.614 1.00 0.00 N ATOM 490 CA ALA A 33 17.689 5.135 5.890 1.00 0.00 C ATOM 491 C ALA A 33 17.748 6.650 5.725 1.00 0.00 C ATOM 492 O ALA A 33 16.865 7.370 6.192 1.00 0.00 O ATOM 493 CB ALA A 33 18.724 4.671 6.903 1.00 0.00 C ATOM 0 H ALA A 33 18.717 3.861 4.581 1.00 0.00 H new ATOM 0 HA ALA A 33 16.696 4.875 6.257 1.00 0.00 H new ATOM 0 HB1 ALA A 33 18.560 5.183 7.851 1.00 0.00 H new ATOM 0 HB2 ALA A 33 18.631 3.595 7.051 1.00 0.00 H new ATOM 0 HB3 ALA A 33 19.723 4.902 6.534 1.00 0.00 H new ATOM 499 N LYS A 34 18.793 7.128 5.060 1.00 0.00 N ATOM 500 CA LYS A 34 18.968 8.557 4.833 1.00 0.00 C ATOM 501 C LYS A 34 17.715 9.167 4.213 1.00 0.00 C ATOM 502 O LYS A 34 17.400 10.333 4.448 1.00 0.00 O ATOM 503 CB LYS A 34 20.173 8.806 3.922 1.00 0.00 C ATOM 504 CG LYS A 34 21.321 9.521 4.614 1.00 0.00 C ATOM 505 CD LYS A 34 22.509 9.699 3.684 1.00 0.00 C ATOM 506 CE LYS A 34 22.247 10.780 2.646 1.00 0.00 C ATOM 507 NZ LYS A 34 23.491 11.173 1.928 1.00 0.00 N ATOM 0 H LYS A 34 19.533 6.546 4.668 1.00 0.00 H new ATOM 0 HA LYS A 34 19.144 9.034 5.797 1.00 0.00 H new ATOM 0 HB2 LYS A 34 20.530 7.851 3.537 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.853 9.396 3.063 1.00 0.00 H new ATOM 0 HG2 LYS A 34 20.984 10.496 4.966 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.628 8.953 5.493 1.00 0.00 H new ATOM 0 HD2 LYS A 34 23.393 9.959 4.267 1.00 0.00 H new ATOM 0 HD3 LYS A 34 22.724 8.756 3.182 1.00 0.00 H new ATOM 0 HE2 LYS A 34 21.510 10.422 1.927 1.00 0.00 H new ATOM 0 HE3 LYS A 34 21.817 11.655 3.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 23.270 11.911 1.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 24.185 11.539 2.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 23.888 10.344 1.441 1.00 0.00 H new ATOM 521 N GLU A 35 17.003 8.370 3.422 1.00 0.00 N ATOM 522 CA GLU A 35 15.784 8.833 2.770 1.00 0.00 C ATOM 523 C GLU A 35 14.564 8.570 3.648 1.00 0.00 C ATOM 524 O GLU A 35 13.550 9.262 3.546 1.00 0.00 O ATOM 525 CB GLU A 35 15.609 8.143 1.416 1.00 0.00 C ATOM 526 CG GLU A 35 16.683 8.508 0.404 1.00 0.00 C ATOM 527 CD GLU A 35 16.599 9.956 -0.038 1.00 0.00 C ATOM 528 OE1 GLU A 35 15.493 10.531 0.019 1.00 0.00 O ATOM 529 OE2 GLU A 35 17.642 10.513 -0.440 1.00 0.00 O ATOM 0 H GLU A 35 17.249 7.402 3.218 1.00 0.00 H new ATOM 0 HA GLU A 35 15.873 9.908 2.613 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.613 7.063 1.565 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.633 8.405 1.008 1.00 0.00 H new ATOM 0 HG2 GLU A 35 17.665 8.321 0.838 1.00 0.00 H new ATOM 0 HG3 GLU A 35 16.591 7.860 -0.468 1.00 0.00 H new ATOM 536 N LEU A 36 14.669 7.565 4.511 1.00 0.00 N ATOM 537 CA LEU A 36 13.575 7.208 5.407 1.00 0.00 C ATOM 538 C LEU A 36 13.274 8.345 6.379 1.00 0.00 C ATOM 539 O LEU A 36 12.128 8.547 6.779 1.00 0.00 O ATOM 540 CB LEU A 36 13.919 5.936 6.184 1.00 0.00 C ATOM 541 CG LEU A 36 13.438 4.622 5.568 1.00 0.00 C ATOM 542 CD1 LEU A 36 14.066 3.436 6.282 1.00 0.00 C ATOM 543 CD2 LEU A 36 11.920 4.534 5.618 1.00 0.00 C ATOM 0 H LEU A 36 15.501 6.983 4.609 1.00 0.00 H new ATOM 0 HA LEU A 36 12.687 7.027 4.801 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.002 5.886 6.298 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.497 6.021 7.185 1.00 0.00 H new ATOM 0 HG LEU A 36 13.749 4.597 4.524 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.712 2.510 5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 36 15.151 3.491 6.194 1.00 0.00 H new ATOM 0 HD13 LEU A 36 13.786 3.456 7.335 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.595 3.592 5.175 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.587 4.582 6.655 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.489 5.365 5.060 1.00 0.00 H new ATOM 555 N LYS A 37 14.311 9.086 6.753 1.00 0.00 N ATOM 556 CA LYS A 37 14.159 10.206 7.674 1.00 0.00 C ATOM 557 C LYS A 37 13.653 11.446 6.945 1.00 0.00 C ATOM 558 O LYS A 37 12.687 12.078 7.374 1.00 0.00 O ATOM 559 CB LYS A 37 15.493 10.513 8.360 1.00 0.00 C ATOM 560 CG LYS A 37 15.347 10.934 9.812 1.00 0.00 C ATOM 561 CD LYS A 37 16.683 10.906 10.537 1.00 0.00 C ATOM 562 CE LYS A 37 16.697 11.868 11.716 1.00 0.00 C ATOM 563 NZ LYS A 37 18.002 12.574 11.839 1.00 0.00 N ATOM 0 H LYS A 37 15.267 8.931 6.432 1.00 0.00 H new ATOM 0 HA LYS A 37 13.425 9.926 8.429 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.130 9.630 8.309 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.001 11.305 7.810 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.927 11.939 9.860 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.644 10.270 10.316 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.886 9.895 10.889 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.481 11.168 9.842 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.898 12.600 11.597 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.493 11.319 12.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.837 13.564 12.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.583 12.106 12.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.499 12.546 10.926 1.00 0.00 H new ATOM 577 N ASP A 38 14.309 11.787 5.841 1.00 0.00 N ATOM 578 CA ASP A 38 13.923 12.950 5.051 1.00 0.00 C ATOM 579 C ASP A 38 12.457 12.863 4.636 1.00 0.00 C ATOM 580 O ASP A 38 11.807 13.881 4.401 1.00 0.00 O ATOM 581 CB ASP A 38 14.810 13.068 3.811 1.00 0.00 C ATOM 582 CG ASP A 38 15.279 14.489 3.568 1.00 0.00 C ATOM 583 OD1 ASP A 38 14.501 15.280 2.995 1.00 0.00 O ATOM 584 OD2 ASP A 38 16.424 14.811 3.950 1.00 0.00 O ATOM 0 H ASP A 38 15.110 11.274 5.473 1.00 0.00 H new ATOM 0 HA ASP A 38 14.055 13.838 5.669 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.677 12.417 3.925 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.259 12.716 2.939 1.00 0.00 H new ATOM 589 N ARG A 39 11.944 11.640 4.547 1.00 0.00 N ATOM 590 CA ARG A 39 10.557 11.420 4.158 1.00 0.00 C ATOM 591 C ARG A 39 9.673 11.222 5.385 1.00 0.00 C ATOM 592 O ARG A 39 8.639 11.876 5.531 1.00 0.00 O ATOM 593 CB ARG A 39 10.450 10.202 3.238 1.00 0.00 C ATOM 594 CG ARG A 39 10.639 10.532 1.766 1.00 0.00 C ATOM 595 CD ARG A 39 10.298 9.344 0.880 1.00 0.00 C ATOM 596 NE ARG A 39 9.411 9.718 -0.218 1.00 0.00 N ATOM 597 CZ ARG A 39 9.829 10.313 -1.330 1.00 0.00 C ATOM 598 NH1 ARG A 39 11.113 10.601 -1.489 1.00 0.00 N ATOM 599 NH2 ARG A 39 8.961 10.621 -2.285 1.00 0.00 N ATOM 0 H ARG A 39 12.469 10.787 4.739 1.00 0.00 H new ATOM 0 HA ARG A 39 10.212 12.304 3.622 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.197 9.466 3.535 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.473 9.738 3.375 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.008 11.380 1.498 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.671 10.834 1.589 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.216 8.918 0.475 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.824 8.568 1.481 1.00 0.00 H new ATOM 0 HE ARG A 39 8.416 9.511 -0.126 1.00 0.00 H new ATOM 0 HH11 ARG A 39 11.783 10.366 -0.757 1.00 0.00 H new ATOM 0 HH12 ARG A 39 11.431 11.058 -2.344 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.972 10.401 -2.166 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.283 11.078 -3.138 1.00 0.00 H new ATOM 613 N HIS A 40 10.086 10.317 6.266 1.00 0.00 N ATOM 614 CA HIS A 40 9.331 10.033 7.482 1.00 0.00 C ATOM 615 C HIS A 40 9.927 10.772 8.676 1.00 0.00 C ATOM 616 O HIS A 40 10.893 10.312 9.285 1.00 0.00 O ATOM 617 CB HIS A 40 9.312 8.529 7.756 1.00 0.00 C ATOM 618 CG HIS A 40 8.986 7.704 6.550 1.00 0.00 C ATOM 619 ND1 HIS A 40 9.787 6.998 5.717 1.00 0.00 N flip ATOM 620 CD2 HIS A 40 7.702 7.538 6.076 1.00 0.00 C flip ATOM 621 CE1 HIS A 40 8.979 6.423 4.767 1.00 0.00 C flip ATOM 622 NE2 HIS A 40 7.726 6.764 5.006 1.00 0.00 N flip ATOM 0 H HIS A 40 10.939 9.768 6.161 1.00 0.00 H new ATOM 0 HA HIS A 40 8.308 10.381 7.335 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.286 8.226 8.141 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.581 8.320 8.537 1.00 0.00 H new ATOM 0 HD2 HIS A 40 6.815 7.973 6.512 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.314 5.794 3.956 1.00 0.00 H new ATOM 0 HE2 HIS A 40 6.915 6.478 4.458 1.00 0.00 H new ATOM 630 N ARG A 41 9.346 11.921 9.005 1.00 0.00 N ATOM 631 CA ARG A 41 9.821 12.725 10.125 1.00 0.00 C ATOM 632 C ARG A 41 9.758 11.933 11.428 1.00 0.00 C ATOM 633 O ARG A 41 10.503 12.207 12.369 1.00 0.00 O ATOM 634 CB ARG A 41 8.989 14.003 10.252 1.00 0.00 C ATOM 635 CG ARG A 41 9.696 15.117 11.007 1.00 0.00 C ATOM 636 CD ARG A 41 9.158 16.484 10.615 1.00 0.00 C ATOM 637 NE ARG A 41 7.850 16.748 11.209 1.00 0.00 N ATOM 638 CZ ARG A 41 7.125 17.828 10.940 1.00 0.00 C ATOM 639 NH1 ARG A 41 7.578 18.739 10.090 1.00 0.00 N ATOM 640 NH2 ARG A 41 5.944 17.998 11.521 1.00 0.00 N ATOM 0 H ARG A 41 8.545 12.316 8.512 1.00 0.00 H new ATOM 0 HA ARG A 41 10.860 12.993 9.933 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.730 14.359 9.255 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.053 13.768 10.759 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.569 14.969 12.079 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.766 15.074 10.804 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.862 17.255 10.930 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.082 16.546 9.529 1.00 0.00 H new ATOM 0 HE ARG A 41 7.473 16.066 11.866 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.485 18.611 9.641 1.00 0.00 H new ATOM 0 HH12 ARG A 41 7.020 19.568 9.885 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.592 17.299 12.175 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.388 18.828 11.314 1.00 0.00 H new ATOM 654 N ASP A 42 8.865 10.951 11.475 1.00 0.00 N ATOM 655 CA ASP A 42 8.705 10.118 12.661 1.00 0.00 C ATOM 656 C ASP A 42 9.964 9.298 12.923 1.00 0.00 C ATOM 657 O ASP A 42 10.288 8.987 14.070 1.00 0.00 O ATOM 658 CB ASP A 42 7.501 9.189 12.500 1.00 0.00 C ATOM 659 CG ASP A 42 6.202 9.951 12.319 1.00 0.00 C ATOM 660 OD1 ASP A 42 6.088 11.067 12.867 1.00 0.00 O ATOM 661 OD2 ASP A 42 5.301 9.430 11.629 1.00 0.00 O ATOM 0 H ASP A 42 8.240 10.712 10.705 1.00 0.00 H new ATOM 0 HA ASP A 42 8.536 10.774 13.515 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.660 8.538 11.640 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.422 8.546 13.376 1.00 0.00 H new ATOM 666 N PHE A 43 10.671 8.951 11.853 1.00 0.00 N ATOM 667 CA PHE A 43 11.894 8.165 11.967 1.00 0.00 C ATOM 668 C PHE A 43 12.856 8.797 12.969 1.00 0.00 C ATOM 669 O PHE A 43 13.025 10.015 13.023 1.00 0.00 O ATOM 670 CB PHE A 43 12.574 8.039 10.602 1.00 0.00 C ATOM 671 CG PHE A 43 13.083 6.656 10.311 1.00 0.00 C ATOM 672 CD1 PHE A 43 12.207 5.641 9.959 1.00 0.00 C ATOM 673 CD2 PHE A 43 14.436 6.371 10.389 1.00 0.00 C ATOM 674 CE1 PHE A 43 12.673 4.367 9.692 1.00 0.00 C ATOM 675 CE2 PHE A 43 14.908 5.099 10.122 1.00 0.00 C ATOM 676 CZ PHE A 43 14.025 4.096 9.772 1.00 0.00 C ATOM 0 H PHE A 43 10.418 9.202 10.897 1.00 0.00 H new ATOM 0 HA PHE A 43 11.625 7.171 12.325 1.00 0.00 H new ATOM 0 HB2 PHE A 43 11.867 8.328 9.825 1.00 0.00 H new ATOM 0 HB3 PHE A 43 13.406 8.741 10.553 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.149 5.848 9.893 1.00 0.00 H new ATOM 0 HD2 PHE A 43 15.131 7.152 10.662 1.00 0.00 H new ATOM 0 HE1 PHE A 43 11.980 3.584 9.421 1.00 0.00 H new ATOM 0 HE2 PHE A 43 15.966 4.890 10.187 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.391 3.102 9.561 1.00 0.00 H new ATOM 686 N PRO A 44 13.501 7.949 13.784 1.00 0.00 N ATOM 687 CA PRO A 44 14.457 8.401 14.800 1.00 0.00 C ATOM 688 C PRO A 44 15.742 8.944 14.186 1.00 0.00 C ATOM 689 O PRO A 44 15.828 9.140 12.973 1.00 0.00 O ATOM 690 CB PRO A 44 14.744 7.132 15.606 1.00 0.00 C ATOM 691 CG PRO A 44 14.468 6.013 14.662 1.00 0.00 C ATOM 692 CD PRO A 44 13.349 6.485 13.777 1.00 0.00 C ATOM 0 HA PRO A 44 14.059 9.221 15.398 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.776 7.110 15.955 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.108 7.071 16.489 1.00 0.00 H new ATOM 0 HG2 PRO A 44 15.354 5.770 14.075 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.185 5.109 15.201 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.434 6.077 12.770 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.376 6.180 14.163 1.00 0.00 H new ATOM 700 N ASP A 45 16.740 9.184 15.029 1.00 0.00 N ATOM 701 CA ASP A 45 18.023 9.704 14.569 1.00 0.00 C ATOM 702 C ASP A 45 19.009 8.568 14.315 1.00 0.00 C ATOM 703 O ASP A 45 20.182 8.657 14.679 1.00 0.00 O ATOM 704 CB ASP A 45 18.601 10.678 15.596 1.00 0.00 C ATOM 705 CG ASP A 45 19.798 11.440 15.061 1.00 0.00 C ATOM 706 OD1 ASP A 45 19.881 11.626 13.829 1.00 0.00 O ATOM 707 OD2 ASP A 45 20.651 11.851 15.875 1.00 0.00 O ATOM 0 H ASP A 45 16.686 9.027 16.035 1.00 0.00 H new ATOM 0 HA ASP A 45 17.857 10.234 13.631 1.00 0.00 H new ATOM 0 HB2 ASP A 45 17.828 11.386 15.897 1.00 0.00 H new ATOM 0 HB3 ASP A 45 18.894 10.127 16.490 1.00 0.00 H new ATOM 712 N VAL A 46 18.525 7.500 13.689 1.00 0.00 N ATOM 713 CA VAL A 46 19.364 6.346 13.386 1.00 0.00 C ATOM 714 C VAL A 46 19.230 5.938 11.923 1.00 0.00 C ATOM 715 O VAL A 46 18.286 6.338 11.241 1.00 0.00 O ATOM 716 CB VAL A 46 19.006 5.143 14.278 1.00 0.00 C ATOM 717 CG1 VAL A 46 19.055 5.533 15.748 1.00 0.00 C ATOM 718 CG2 VAL A 46 17.636 4.595 13.909 1.00 0.00 C ATOM 0 H VAL A 46 17.557 7.410 13.382 1.00 0.00 H new ATOM 0 HA VAL A 46 20.394 6.642 13.584 1.00 0.00 H new ATOM 0 HB VAL A 46 19.743 4.358 14.111 1.00 0.00 H new ATOM 0 HG11 VAL A 46 18.799 4.670 16.362 1.00 0.00 H new ATOM 0 HG12 VAL A 46 20.059 5.873 16.001 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.342 6.336 15.935 1.00 0.00 H new ATOM 0 HG21 VAL A 46 17.399 3.745 14.549 1.00 0.00 H new ATOM 0 HG22 VAL A 46 16.884 5.373 14.045 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.641 4.274 12.867 1.00 0.00 H new ATOM 728 N ILE A 47 20.180 5.139 11.448 1.00 0.00 N ATOM 729 CA ILE A 47 20.167 4.675 10.067 1.00 0.00 C ATOM 730 C ILE A 47 20.882 3.336 9.930 1.00 0.00 C ATOM 731 O ILE A 47 21.452 3.029 8.883 1.00 0.00 O ATOM 732 CB ILE A 47 20.829 5.697 9.124 1.00 0.00 C ATOM 733 CG1 ILE A 47 22.174 6.152 9.693 1.00 0.00 C ATOM 734 CG2 ILE A 47 19.910 6.890 8.905 1.00 0.00 C ATOM 735 CD1 ILE A 47 23.121 6.695 8.646 1.00 0.00 C ATOM 0 H ILE A 47 20.968 4.800 12.000 1.00 0.00 H new ATOM 0 HA ILE A 47 19.121 4.556 9.784 1.00 0.00 H new ATOM 0 HB ILE A 47 21.006 5.218 8.161 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.999 6.920 10.446 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.648 5.311 10.199 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.392 7.603 8.236 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.974 6.552 8.460 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.704 7.371 9.861 1.00 0.00 H new ATOM 0 HD11 ILE A 47 24.054 6.998 9.121 1.00 0.00 H new ATOM 0 HD12 ILE A 47 23.326 5.922 7.905 1.00 0.00 H new ATOM 0 HD13 ILE A 47 22.667 7.556 8.156 1.00 0.00 H new ATOM 747 N SER A 48 20.847 2.540 10.994 1.00 0.00 N ATOM 748 CA SER A 48 21.493 1.234 10.994 1.00 0.00 C ATOM 749 C SER A 48 20.784 0.276 11.947 1.00 0.00 C ATOM 750 O SER A 48 20.809 0.462 13.163 1.00 0.00 O ATOM 751 CB SER A 48 22.965 1.369 11.390 1.00 0.00 C ATOM 752 OG SER A 48 23.641 2.277 10.537 1.00 0.00 O ATOM 0 H SER A 48 20.377 2.778 11.868 1.00 0.00 H new ATOM 0 HA SER A 48 21.431 0.826 9.985 1.00 0.00 H new ATOM 0 HB2 SER A 48 23.037 1.712 12.422 1.00 0.00 H new ATOM 0 HB3 SER A 48 23.448 0.393 11.344 1.00 0.00 H new ATOM 0 HG SER A 48 24.579 2.347 10.812 1.00 0.00 H new ATOM 758 N GLY A 49 20.152 -0.749 11.384 1.00 0.00 N ATOM 759 CA GLY A 49 19.445 -1.721 12.198 1.00 0.00 C ATOM 760 C GLY A 49 18.408 -2.494 11.407 1.00 0.00 C ATOM 761 O GLY A 49 18.565 -2.705 10.204 1.00 0.00 O ATOM 0 H GLY A 49 20.117 -0.924 10.380 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.162 -2.419 12.630 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.958 -1.210 13.028 1.00 0.00 H new ATOM 765 N ALA A 50 17.346 -2.919 12.083 1.00 0.00 N ATOM 766 CA ALA A 50 16.280 -3.673 11.435 1.00 0.00 C ATOM 767 C ALA A 50 15.024 -2.822 11.276 1.00 0.00 C ATOM 768 O ALA A 50 14.451 -2.354 12.260 1.00 0.00 O ATOM 769 CB ALA A 50 15.968 -4.934 12.229 1.00 0.00 C ATOM 0 H ALA A 50 17.201 -2.754 13.079 1.00 0.00 H new ATOM 0 HA ALA A 50 16.623 -3.958 10.440 1.00 0.00 H new ATOM 0 HB1 ALA A 50 15.170 -5.488 11.734 1.00 0.00 H new ATOM 0 HB2 ALA A 50 16.860 -5.557 12.287 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.650 -4.661 13.235 1.00 0.00 H new ATOM 775 N TYR A 51 14.604 -2.624 10.032 1.00 0.00 N ATOM 776 CA TYR A 51 13.418 -1.827 9.743 1.00 0.00 C ATOM 777 C TYR A 51 12.174 -2.707 9.669 1.00 0.00 C ATOM 778 O TYR A 51 12.113 -3.649 8.878 1.00 0.00 O ATOM 779 CB TYR A 51 13.597 -1.065 8.429 1.00 0.00 C ATOM 780 CG TYR A 51 12.355 -0.326 7.983 1.00 0.00 C ATOM 781 CD1 TYR A 51 11.946 0.835 8.627 1.00 0.00 C ATOM 782 CD2 TYR A 51 11.591 -0.790 6.919 1.00 0.00 C ATOM 783 CE1 TYR A 51 10.812 1.513 8.223 1.00 0.00 C ATOM 784 CE2 TYR A 51 10.457 -0.118 6.508 1.00 0.00 C ATOM 785 CZ TYR A 51 10.071 1.033 7.164 1.00 0.00 C ATOM 786 OH TYR A 51 8.940 1.705 6.758 1.00 0.00 O ATOM 0 H TYR A 51 15.067 -3.005 9.207 1.00 0.00 H new ATOM 0 HA TYR A 51 13.286 -1.112 10.555 1.00 0.00 H new ATOM 0 HB2 TYR A 51 14.413 -0.352 8.541 1.00 0.00 H new ATOM 0 HB3 TYR A 51 13.892 -1.767 7.649 1.00 0.00 H new ATOM 0 HD1 TYR A 51 12.524 1.214 9.457 1.00 0.00 H new ATOM 0 HD2 TYR A 51 11.889 -1.692 6.405 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.508 2.414 8.734 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.875 -0.491 5.678 1.00 0.00 H new ATOM 0 HH TYR A 51 8.535 1.235 5.999 1.00 0.00 H new ATOM 796 N ILE A 52 11.184 -2.392 10.498 1.00 0.00 N ATOM 797 CA ILE A 52 9.941 -3.152 10.526 1.00 0.00 C ATOM 798 C ILE A 52 8.929 -2.587 9.536 1.00 0.00 C ATOM 799 O ILE A 52 8.533 -1.424 9.632 1.00 0.00 O ATOM 800 CB ILE A 52 9.317 -3.159 11.934 1.00 0.00 C ATOM 801 CG1 ILE A 52 10.295 -3.756 12.947 1.00 0.00 C ATOM 802 CG2 ILE A 52 8.009 -3.937 11.930 1.00 0.00 C ATOM 803 CD1 ILE A 52 9.757 -3.790 14.360 1.00 0.00 C ATOM 0 H ILE A 52 11.219 -1.616 11.159 1.00 0.00 H new ATOM 0 HA ILE A 52 10.190 -4.175 10.243 1.00 0.00 H new ATOM 0 HB ILE A 52 9.105 -2.130 12.226 1.00 0.00 H new ATOM 0 HG12 ILE A 52 10.550 -4.770 12.640 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.219 -3.177 12.933 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.580 -3.933 12.932 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.311 -3.471 11.235 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.198 -4.965 11.620 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.504 -4.226 15.023 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.529 -2.776 14.687 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.850 -4.393 14.389 1.00 0.00 H new ATOM 815 N ILE A 53 8.512 -3.417 8.586 1.00 0.00 N ATOM 816 CA ILE A 53 7.543 -3.000 7.580 1.00 0.00 C ATOM 817 C ILE A 53 6.121 -3.345 8.010 1.00 0.00 C ATOM 818 O ILE A 53 5.166 -2.670 7.627 1.00 0.00 O ATOM 819 CB ILE A 53 7.828 -3.658 6.217 1.00 0.00 C ATOM 820 CG1 ILE A 53 9.309 -3.515 5.857 1.00 0.00 C ATOM 821 CG2 ILE A 53 6.953 -3.040 5.136 1.00 0.00 C ATOM 822 CD1 ILE A 53 9.683 -4.194 4.558 1.00 0.00 C ATOM 0 H ILE A 53 8.830 -4.382 8.492 1.00 0.00 H new ATOM 0 HA ILE A 53 7.638 -1.919 7.480 1.00 0.00 H new ATOM 0 HB ILE A 53 7.590 -4.720 6.286 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.557 -2.456 5.789 1.00 0.00 H new ATOM 0 HG13 ILE A 53 9.913 -3.933 6.663 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.167 -3.516 4.179 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.903 -3.188 5.389 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.162 -1.973 5.065 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.747 -4.052 4.366 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.466 -5.260 4.629 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.106 -3.760 3.741 1.00 0.00 H new ATOM 834 N GLU A 54 5.989 -4.398 8.810 1.00 0.00 N ATOM 835 CA GLU A 54 4.684 -4.831 9.293 1.00 0.00 C ATOM 836 C GLU A 54 4.826 -5.973 10.296 1.00 0.00 C ATOM 837 O GLU A 54 5.592 -6.912 10.080 1.00 0.00 O ATOM 838 CB GLU A 54 3.803 -5.273 8.122 1.00 0.00 C ATOM 839 CG GLU A 54 2.474 -5.871 8.552 1.00 0.00 C ATOM 840 CD GLU A 54 1.338 -5.502 7.617 1.00 0.00 C ATOM 841 OE1 GLU A 54 1.185 -4.300 7.314 1.00 0.00 O ATOM 842 OE2 GLU A 54 0.604 -6.416 7.188 1.00 0.00 O ATOM 0 H GLU A 54 6.770 -4.967 9.137 1.00 0.00 H new ATOM 0 HA GLU A 54 4.212 -3.986 9.795 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.614 -4.415 7.477 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.346 -6.007 7.526 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.565 -6.956 8.596 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.236 -5.530 9.560 1.00 0.00 H new ATOM 849 N VAL A 55 4.082 -5.884 11.393 1.00 0.00 N ATOM 850 CA VAL A 55 4.123 -6.909 12.430 1.00 0.00 C ATOM 851 C VAL A 55 2.819 -7.696 12.478 1.00 0.00 C ATOM 852 O VAL A 55 1.795 -7.193 12.943 1.00 0.00 O ATOM 853 CB VAL A 55 4.390 -6.294 13.817 1.00 0.00 C ATOM 854 CG1 VAL A 55 4.557 -7.386 14.862 1.00 0.00 C ATOM 855 CG2 VAL A 55 5.615 -5.393 13.773 1.00 0.00 C ATOM 0 H VAL A 55 3.443 -5.113 11.587 1.00 0.00 H new ATOM 0 HA VAL A 55 4.941 -7.583 12.176 1.00 0.00 H new ATOM 0 HB VAL A 55 3.530 -5.685 14.098 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.745 -6.933 15.835 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.648 -7.985 14.910 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.398 -8.024 14.590 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.789 -4.967 14.761 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.485 -5.976 13.471 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.450 -4.589 13.055 1.00 0.00 H new ATOM 865 N ILE A 56 2.863 -8.933 11.994 1.00 0.00 N ATOM 866 CA ILE A 56 1.684 -9.791 11.983 1.00 0.00 C ATOM 867 C ILE A 56 1.005 -9.810 13.349 1.00 0.00 C ATOM 868 O ILE A 56 1.652 -9.935 14.389 1.00 0.00 O ATOM 869 CB ILE A 56 2.041 -11.233 11.580 1.00 0.00 C ATOM 870 CG1 ILE A 56 2.773 -11.244 10.236 1.00 0.00 C ATOM 871 CG2 ILE A 56 0.786 -12.091 11.513 1.00 0.00 C ATOM 872 CD1 ILE A 56 2.012 -10.550 9.128 1.00 0.00 C ATOM 0 H ILE A 56 3.702 -9.363 11.605 1.00 0.00 H new ATOM 0 HA ILE A 56 0.998 -9.375 11.245 1.00 0.00 H new ATOM 0 HB ILE A 56 2.704 -11.652 12.337 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.744 -10.763 10.356 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.963 -12.277 9.944 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.055 -13.108 11.227 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.302 -12.105 12.490 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.100 -11.676 10.774 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.590 -10.596 8.205 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.052 -11.045 8.980 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.845 -9.508 9.399 1.00 0.00 H new ATOM 884 N PRO A 57 -0.330 -9.685 13.348 1.00 0.00 N ATOM 885 CA PRO A 57 -1.126 -9.687 14.579 1.00 0.00 C ATOM 886 C PRO A 57 -1.157 -11.058 15.246 1.00 0.00 C ATOM 887 O PRO A 57 -0.796 -12.064 14.636 1.00 0.00 O ATOM 888 CB PRO A 57 -2.525 -9.295 14.097 1.00 0.00 C ATOM 889 CG PRO A 57 -2.564 -9.712 12.667 1.00 0.00 C ATOM 890 CD PRO A 57 -1.166 -9.532 12.145 1.00 0.00 C ATOM 0 HA PRO A 57 -0.715 -9.014 15.332 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.299 -9.798 14.677 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.694 -8.223 14.202 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.886 -10.749 12.572 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.272 -9.105 12.103 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.921 -10.277 11.388 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.032 -8.553 11.684 1.00 0.00 H new ATOM 898 N ASP A 58 -1.590 -11.089 16.502 1.00 0.00 N ATOM 899 CA ASP A 58 -1.670 -12.337 17.252 1.00 0.00 C ATOM 900 C ASP A 58 -0.282 -12.938 17.455 1.00 0.00 C ATOM 901 O ASP A 58 -0.134 -14.153 17.592 1.00 0.00 O ATOM 902 CB ASP A 58 -2.571 -13.337 16.526 1.00 0.00 C ATOM 903 CG ASP A 58 -3.150 -14.380 17.461 1.00 0.00 C ATOM 904 OD1 ASP A 58 -3.483 -14.026 18.611 1.00 0.00 O ATOM 905 OD2 ASP A 58 -3.269 -15.551 17.044 1.00 0.00 O ATOM 0 H ASP A 58 -1.891 -10.264 17.022 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.099 -12.118 18.230 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.384 -12.800 16.037 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.000 -13.834 15.742 1.00 0.00 H new ATOM 910 N THR A 59 0.732 -12.079 17.473 1.00 0.00 N ATOM 911 CA THR A 59 2.108 -12.525 17.657 1.00 0.00 C ATOM 912 C THR A 59 2.724 -11.905 18.906 1.00 0.00 C ATOM 913 O THR A 59 2.299 -10.851 19.380 1.00 0.00 O ATOM 914 CB THR A 59 2.981 -12.172 16.439 1.00 0.00 C ATOM 915 OG1 THR A 59 3.108 -10.750 16.323 1.00 0.00 O ATOM 916 CG2 THR A 59 2.380 -12.738 15.161 1.00 0.00 C ATOM 0 H THR A 59 0.627 -11.070 17.362 1.00 0.00 H new ATOM 0 HA THR A 59 2.076 -13.609 17.770 1.00 0.00 H new ATOM 0 HB THR A 59 3.967 -12.614 16.586 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.876 -10.474 15.412 1.00 0.00 H new ATOM 0 HG21 THR A 59 3.014 -12.476 14.314 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.311 -13.823 15.241 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.384 -12.321 15.012 1.00 0.00 H new ATOM 924 N PRO A 60 3.750 -12.573 19.455 1.00 0.00 N ATOM 925 CA PRO A 60 4.448 -12.105 20.656 1.00 0.00 C ATOM 926 C PRO A 60 5.275 -10.851 20.394 1.00 0.00 C ATOM 927 O PRO A 60 5.817 -10.249 21.321 1.00 0.00 O ATOM 928 CB PRO A 60 5.358 -13.281 21.018 1.00 0.00 C ATOM 929 CG PRO A 60 5.578 -14.000 19.732 1.00 0.00 C ATOM 930 CD PRO A 60 4.309 -13.836 18.944 1.00 0.00 C ATOM 0 HA PRO A 60 3.754 -11.826 21.449 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.300 -12.936 21.445 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.891 -13.929 21.759 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.429 -13.584 19.193 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.796 -15.054 19.906 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.505 -13.784 17.873 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.627 -14.671 19.103 1.00 0.00 H new ATOM 938 N ALA A 61 5.369 -10.464 19.126 1.00 0.00 N ATOM 939 CA ALA A 61 6.129 -9.281 18.743 1.00 0.00 C ATOM 940 C ALA A 61 5.226 -8.056 18.646 1.00 0.00 C ATOM 941 O ALA A 61 5.674 -6.926 18.840 1.00 0.00 O ATOM 942 CB ALA A 61 6.845 -9.518 17.421 1.00 0.00 C ATOM 0 H ALA A 61 4.928 -10.953 18.347 1.00 0.00 H new ATOM 0 HA ALA A 61 6.873 -9.091 19.517 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.409 -8.626 17.147 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.528 -10.361 17.523 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.112 -9.736 16.644 1.00 0.00 H new ATOM 948 N GLU A 62 3.952 -8.288 18.344 1.00 0.00 N ATOM 949 CA GLU A 62 2.987 -7.202 18.220 1.00 0.00 C ATOM 950 C GLU A 62 2.592 -6.666 19.593 1.00 0.00 C ATOM 951 O GLU A 62 2.409 -5.462 19.772 1.00 0.00 O ATOM 952 CB GLU A 62 1.743 -7.679 17.469 1.00 0.00 C ATOM 953 CG GLU A 62 0.466 -6.978 17.900 1.00 0.00 C ATOM 954 CD GLU A 62 -0.604 -7.002 16.825 1.00 0.00 C ATOM 955 OE1 GLU A 62 -0.343 -6.492 15.716 1.00 0.00 O ATOM 956 OE2 GLU A 62 -1.703 -7.532 17.095 1.00 0.00 O ATOM 0 H GLU A 62 3.565 -9.217 18.181 1.00 0.00 H new ATOM 0 HA GLU A 62 3.456 -6.396 17.656 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.891 -7.521 16.401 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.627 -8.752 17.620 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.081 -7.455 18.801 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.693 -5.944 18.158 1.00 0.00 H new ATOM 963 N ALA A 63 2.462 -7.569 20.559 1.00 0.00 N ATOM 964 CA ALA A 63 2.090 -7.188 21.916 1.00 0.00 C ATOM 965 C ALA A 63 3.317 -6.789 22.730 1.00 0.00 C ATOM 966 O ALA A 63 3.217 -6.020 23.685 1.00 0.00 O ATOM 967 CB ALA A 63 1.349 -8.327 22.600 1.00 0.00 C ATOM 0 H ALA A 63 2.609 -8.570 20.427 1.00 0.00 H new ATOM 0 HA ALA A 63 1.429 -6.323 21.856 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.077 -8.028 23.612 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.446 -8.564 22.037 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.992 -9.206 22.641 1.00 0.00 H new ATOM 973 N GLY A 64 4.474 -7.317 22.345 1.00 0.00 N ATOM 974 CA GLY A 64 5.704 -7.005 23.051 1.00 0.00 C ATOM 975 C GLY A 64 6.057 -5.533 22.975 1.00 0.00 C ATOM 976 O GLY A 64 6.560 -4.958 23.940 1.00 0.00 O ATOM 0 H GLY A 64 4.582 -7.955 21.557 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.604 -7.298 24.096 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.520 -7.594 22.631 1.00 0.00 H new ATOM 980 N GLY A 65 5.795 -4.921 21.824 1.00 0.00 N ATOM 981 CA GLY A 65 6.098 -3.513 21.647 1.00 0.00 C ATOM 982 C GLY A 65 6.553 -3.190 20.238 1.00 0.00 C ATOM 983 O GLY A 65 6.399 -2.060 19.771 1.00 0.00 O ATOM 0 H GLY A 65 5.378 -5.375 21.011 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.214 -2.922 21.884 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.876 -3.221 22.353 1.00 0.00 H new ATOM 987 N LEU A 66 7.116 -4.182 19.558 1.00 0.00 N ATOM 988 CA LEU A 66 7.596 -3.998 18.193 1.00 0.00 C ATOM 989 C LEU A 66 6.459 -3.579 17.267 1.00 0.00 C ATOM 990 O LEU A 66 5.599 -4.387 16.917 1.00 0.00 O ATOM 991 CB LEU A 66 8.238 -5.289 17.679 1.00 0.00 C ATOM 992 CG LEU A 66 9.480 -5.767 18.432 1.00 0.00 C ATOM 993 CD1 LEU A 66 10.084 -6.983 17.747 1.00 0.00 C ATOM 994 CD2 LEU A 66 10.505 -4.647 18.536 1.00 0.00 C ATOM 0 H LEU A 66 7.251 -5.122 19.929 1.00 0.00 H new ATOM 0 HA LEU A 66 8.344 -3.205 18.201 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.490 -6.081 17.712 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.505 -5.146 16.632 1.00 0.00 H new ATOM 0 HG LEU A 66 9.182 -6.054 19.440 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.967 -7.309 18.297 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.351 -7.790 17.725 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.367 -6.723 16.727 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.382 -5.005 19.075 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.799 -4.329 17.536 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.069 -3.804 19.072 1.00 0.00 H new ATOM 1006 N LYS A 67 6.463 -2.310 16.872 1.00 0.00 N ATOM 1007 CA LYS A 67 5.434 -1.782 15.983 1.00 0.00 C ATOM 1008 C LYS A 67 6.017 -1.450 14.614 1.00 0.00 C ATOM 1009 O LYS A 67 7.232 -1.477 14.423 1.00 0.00 O ATOM 1010 CB LYS A 67 4.795 -0.534 16.595 1.00 0.00 C ATOM 1011 CG LYS A 67 3.704 -0.841 17.606 1.00 0.00 C ATOM 1012 CD LYS A 67 2.321 -0.728 16.988 1.00 0.00 C ATOM 1013 CE LYS A 67 1.230 -0.817 18.043 1.00 0.00 C ATOM 1014 NZ LYS A 67 0.967 -2.224 18.452 1.00 0.00 N ATOM 0 H LYS A 67 7.167 -1.628 17.153 1.00 0.00 H new ATOM 0 HA LYS A 67 4.669 -2.548 15.856 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.570 0.060 17.079 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.376 0.078 15.796 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.846 -1.847 18.001 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.784 -0.154 18.448 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.236 0.219 16.454 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.184 -1.521 16.253 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.521 -0.233 18.916 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.313 -0.374 17.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.217 -2.242 19.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 0.665 -2.776 17.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.835 -2.639 18.846 1.00 0.00 H new ATOM 1028 N GLU A 68 5.141 -1.134 13.664 1.00 0.00 N ATOM 1029 CA GLU A 68 5.571 -0.795 12.312 1.00 0.00 C ATOM 1030 C GLU A 68 6.409 0.480 12.311 1.00 0.00 C ATOM 1031 O GLU A 68 6.251 1.340 13.177 1.00 0.00 O ATOM 1032 CB GLU A 68 4.358 -0.622 11.396 1.00 0.00 C ATOM 1033 CG GLU A 68 4.680 -0.792 9.921 1.00 0.00 C ATOM 1034 CD GLU A 68 3.437 -0.955 9.068 1.00 0.00 C ATOM 1035 OE1 GLU A 68 2.809 -2.032 9.133 1.00 0.00 O ATOM 1036 OE2 GLU A 68 3.092 -0.004 8.335 1.00 0.00 O ATOM 0 H GLU A 68 4.131 -1.106 13.806 1.00 0.00 H new ATOM 0 HA GLU A 68 6.186 -1.613 11.938 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.594 -1.346 11.678 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.932 0.369 11.554 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.243 0.074 9.574 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.322 -1.663 9.791 1.00 0.00 H new ATOM 1043 N ASN A 69 7.302 0.593 11.333 1.00 0.00 N ATOM 1044 CA ASN A 69 8.167 1.762 11.219 1.00 0.00 C ATOM 1045 C ASN A 69 9.089 1.876 12.429 1.00 0.00 C ATOM 1046 O ASN A 69 9.268 2.959 12.986 1.00 0.00 O ATOM 1047 CB ASN A 69 7.326 3.033 11.083 1.00 0.00 C ATOM 1048 CG ASN A 69 6.066 2.808 10.270 1.00 0.00 C ATOM 1049 OD1 ASN A 69 4.960 2.787 10.810 1.00 0.00 O ATOM 1050 ND2 ASN A 69 6.228 2.639 8.963 1.00 0.00 N ATOM 0 H ASN A 69 7.446 -0.110 10.608 1.00 0.00 H new ATOM 0 HA ASN A 69 8.781 1.643 10.326 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.055 3.394 12.075 1.00 0.00 H new ATOM 0 HB3 ASN A 69 7.925 3.813 10.612 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.417 2.484 8.364 1.00 0.00 H new ATOM 0 HD22 ASN A 69 7.164 2.664 8.558 1.00 0.00 H new ATOM 1057 N ASP A 70 9.672 0.752 12.830 1.00 0.00 N ATOM 1058 CA ASP A 70 10.578 0.725 13.972 1.00 0.00 C ATOM 1059 C ASP A 70 12.004 0.414 13.528 1.00 0.00 C ATOM 1060 O ASP A 70 12.227 -0.087 12.426 1.00 0.00 O ATOM 1061 CB ASP A 70 10.112 -0.311 14.996 1.00 0.00 C ATOM 1062 CG ASP A 70 9.310 0.309 16.124 1.00 0.00 C ATOM 1063 OD1 ASP A 70 9.740 1.356 16.650 1.00 0.00 O ATOM 1064 OD2 ASP A 70 8.254 -0.254 16.481 1.00 0.00 O ATOM 0 H ASP A 70 9.533 -0.153 12.381 1.00 0.00 H new ATOM 0 HA ASP A 70 10.568 1.712 14.435 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.505 -1.065 14.495 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.980 -0.824 15.410 1.00 0.00 H new ATOM 1069 N VAL A 71 12.967 0.716 14.394 1.00 0.00 N ATOM 1070 CA VAL A 71 14.372 0.469 14.091 1.00 0.00 C ATOM 1071 C VAL A 71 15.118 -0.035 15.321 1.00 0.00 C ATOM 1072 O VAL A 71 15.297 0.697 16.295 1.00 0.00 O ATOM 1073 CB VAL A 71 15.066 1.741 13.569 1.00 0.00 C ATOM 1074 CG1 VAL A 71 16.470 1.420 13.080 1.00 0.00 C ATOM 1075 CG2 VAL A 71 14.240 2.381 12.463 1.00 0.00 C ATOM 0 H VAL A 71 12.800 1.132 15.310 1.00 0.00 H new ATOM 0 HA VAL A 71 14.399 -0.295 13.314 1.00 0.00 H new ATOM 0 HB VAL A 71 15.147 2.454 14.390 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.945 2.330 12.715 1.00 0.00 H new ATOM 0 HG12 VAL A 71 17.056 1.009 13.902 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.416 0.690 12.272 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.744 3.279 12.105 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.126 1.676 11.640 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.257 2.648 12.851 1.00 0.00 H new ATOM 1085 N ILE A 72 15.552 -1.290 15.270 1.00 0.00 N ATOM 1086 CA ILE A 72 16.281 -1.892 16.380 1.00 0.00 C ATOM 1087 C ILE A 72 17.753 -1.496 16.349 1.00 0.00 C ATOM 1088 O ILE A 72 18.424 -1.642 15.327 1.00 0.00 O ATOM 1089 CB ILE A 72 16.173 -3.428 16.357 1.00 0.00 C ATOM 1090 CG1 ILE A 72 14.706 -3.859 16.419 1.00 0.00 C ATOM 1091 CG2 ILE A 72 16.957 -4.031 17.513 1.00 0.00 C ATOM 1092 CD1 ILE A 72 14.352 -4.942 15.425 1.00 0.00 C ATOM 0 H ILE A 72 15.412 -1.910 14.472 1.00 0.00 H new ATOM 0 HA ILE A 72 15.826 -1.518 17.297 1.00 0.00 H new ATOM 0 HB ILE A 72 16.600 -3.794 15.423 1.00 0.00 H new ATOM 0 HG12 ILE A 72 14.482 -4.213 17.425 1.00 0.00 H new ATOM 0 HG13 ILE A 72 14.073 -2.990 16.239 1.00 0.00 H new ATOM 0 HG21 ILE A 72 16.871 -5.117 17.483 1.00 0.00 H new ATOM 0 HG22 ILE A 72 18.006 -3.747 17.428 1.00 0.00 H new ATOM 0 HG23 ILE A 72 16.556 -3.661 18.457 1.00 0.00 H new ATOM 0 HD11 ILE A 72 13.297 -5.198 15.526 1.00 0.00 H new ATOM 0 HD12 ILE A 72 14.544 -4.584 14.413 1.00 0.00 H new ATOM 0 HD13 ILE A 72 14.960 -5.826 15.618 1.00 0.00 H new ATOM 1104 N ILE A 73 18.250 -0.998 17.476 1.00 0.00 N ATOM 1105 CA ILE A 73 19.643 -0.584 17.579 1.00 0.00 C ATOM 1106 C ILE A 73 20.459 -1.595 18.378 1.00 0.00 C ATOM 1107 O ILE A 73 21.671 -1.712 18.196 1.00 0.00 O ATOM 1108 CB ILE A 73 19.773 0.800 18.242 1.00 0.00 C ATOM 1109 CG1 ILE A 73 19.006 0.830 19.566 1.00 0.00 C ATOM 1110 CG2 ILE A 73 19.264 1.886 17.305 1.00 0.00 C ATOM 1111 CD1 ILE A 73 19.807 1.398 20.716 1.00 0.00 C ATOM 0 H ILE A 73 17.708 -0.872 18.331 1.00 0.00 H new ATOM 0 HA ILE A 73 20.031 -0.528 16.562 1.00 0.00 H new ATOM 0 HB ILE A 73 20.826 0.989 18.449 1.00 0.00 H new ATOM 0 HG12 ILE A 73 18.100 1.422 19.438 1.00 0.00 H new ATOM 0 HG13 ILE A 73 18.692 -0.183 19.818 1.00 0.00 H new ATOM 0 HG21 ILE A 73 19.362 2.858 17.788 1.00 0.00 H new ATOM 0 HG22 ILE A 73 19.849 1.877 16.385 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.216 1.702 17.070 1.00 0.00 H new ATOM 0 HD11 ILE A 73 19.201 1.388 21.622 1.00 0.00 H new ATOM 0 HD12 ILE A 73 20.700 0.793 20.871 1.00 0.00 H new ATOM 0 HD13 ILE A 73 20.098 2.423 20.485 1.00 0.00 H new ATOM 1123 N SER A 74 19.786 -2.326 19.260 1.00 0.00 N ATOM 1124 CA SER A 74 20.448 -3.327 20.088 1.00 0.00 C ATOM 1125 C SER A 74 19.442 -4.337 20.629 1.00 0.00 C ATOM 1126 O SER A 74 18.252 -4.043 20.746 1.00 0.00 O ATOM 1127 CB SER A 74 21.185 -2.654 21.248 1.00 0.00 C ATOM 1128 OG SER A 74 21.672 -3.614 22.169 1.00 0.00 O ATOM 0 H SER A 74 18.782 -2.244 19.420 1.00 0.00 H new ATOM 0 HA SER A 74 21.170 -3.857 19.466 1.00 0.00 H new ATOM 0 HB2 SER A 74 22.015 -2.063 20.861 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.513 -1.964 21.758 1.00 0.00 H new ATOM 0 HG SER A 74 22.140 -3.158 22.899 1.00 0.00 H new ATOM 1134 N ILE A 75 19.928 -5.530 20.957 1.00 0.00 N ATOM 1135 CA ILE A 75 19.071 -6.584 21.487 1.00 0.00 C ATOM 1136 C ILE A 75 19.834 -7.474 22.461 1.00 0.00 C ATOM 1137 O ILE A 75 20.892 -8.010 22.131 1.00 0.00 O ATOM 1138 CB ILE A 75 18.490 -7.457 20.359 1.00 0.00 C ATOM 1139 CG1 ILE A 75 17.683 -6.597 19.383 1.00 0.00 C ATOM 1140 CG2 ILE A 75 17.624 -8.565 20.939 1.00 0.00 C ATOM 1141 CD1 ILE A 75 17.089 -7.383 18.235 1.00 0.00 C ATOM 0 H ILE A 75 20.910 -5.791 20.865 1.00 0.00 H new ATOM 0 HA ILE A 75 18.253 -6.092 22.013 1.00 0.00 H new ATOM 0 HB ILE A 75 19.314 -7.916 19.813 1.00 0.00 H new ATOM 0 HG12 ILE A 75 16.880 -6.101 19.927 1.00 0.00 H new ATOM 0 HG13 ILE A 75 18.327 -5.815 18.982 1.00 0.00 H new ATOM 0 HG21 ILE A 75 17.221 -9.173 20.129 1.00 0.00 H new ATOM 0 HG22 ILE A 75 18.226 -9.191 21.597 1.00 0.00 H new ATOM 0 HG23 ILE A 75 16.803 -8.126 21.506 1.00 0.00 H new ATOM 0 HD11 ILE A 75 16.531 -6.710 17.584 1.00 0.00 H new ATOM 0 HD12 ILE A 75 17.889 -7.858 17.667 1.00 0.00 H new ATOM 0 HD13 ILE A 75 16.419 -8.148 18.626 1.00 0.00 H new ATOM 1153 N ASN A 76 19.289 -7.629 23.664 1.00 0.00 N ATOM 1154 CA ASN A 76 19.918 -8.456 24.687 1.00 0.00 C ATOM 1155 C ASN A 76 21.279 -7.891 25.082 1.00 0.00 C ATOM 1156 O ASN A 76 22.169 -8.627 25.506 1.00 0.00 O ATOM 1157 CB ASN A 76 20.076 -9.893 24.185 1.00 0.00 C ATOM 1158 CG ASN A 76 19.517 -10.911 25.160 1.00 0.00 C ATOM 1159 OD1 ASN A 76 20.004 -11.044 26.283 1.00 0.00 O ATOM 1160 ND2 ASN A 76 18.489 -11.635 24.734 1.00 0.00 N ATOM 0 H ASN A 76 18.414 -7.193 23.954 1.00 0.00 H new ATOM 0 HA ASN A 76 19.274 -8.454 25.567 1.00 0.00 H new ATOM 0 HB2 ASN A 76 19.570 -9.997 23.225 1.00 0.00 H new ATOM 0 HB3 ASN A 76 21.132 -10.101 24.013 1.00 0.00 H new ATOM 0 HD21 ASN A 76 18.070 -12.336 25.346 1.00 0.00 H new ATOM 0 HD22 ASN A 76 18.118 -11.491 23.795 1.00 0.00 H new ATOM 1167 N GLY A 77 21.433 -6.578 24.941 1.00 0.00 N ATOM 1168 CA GLY A 77 22.687 -5.936 25.288 1.00 0.00 C ATOM 1169 C GLY A 77 23.722 -6.053 24.186 1.00 0.00 C ATOM 1170 O GLY A 77 24.922 -5.948 24.441 1.00 0.00 O ATOM 0 H GLY A 77 20.711 -5.947 24.592 1.00 0.00 H new ATOM 0 HA2 GLY A 77 22.506 -4.883 25.502 1.00 0.00 H new ATOM 0 HA3 GLY A 77 23.080 -6.383 26.201 1.00 0.00 H new ATOM 1174 N GLN A 78 23.257 -6.272 22.961 1.00 0.00 N ATOM 1175 CA GLN A 78 24.152 -6.405 21.817 1.00 0.00 C ATOM 1176 C GLN A 78 23.674 -5.551 20.649 1.00 0.00 C ATOM 1177 O GLN A 78 22.573 -5.747 20.133 1.00 0.00 O ATOM 1178 CB GLN A 78 24.250 -7.870 21.387 1.00 0.00 C ATOM 1179 CG GLN A 78 25.626 -8.478 21.606 1.00 0.00 C ATOM 1180 CD GLN A 78 25.711 -9.283 22.887 1.00 0.00 C ATOM 1181 OE1 GLN A 78 25.392 -8.787 23.968 1.00 0.00 O ATOM 1182 NE2 GLN A 78 26.144 -10.534 22.774 1.00 0.00 N ATOM 0 H GLN A 78 22.266 -6.361 22.735 1.00 0.00 H new ATOM 0 HA GLN A 78 25.139 -6.055 22.118 1.00 0.00 H new ATOM 0 HB2 GLN A 78 23.513 -8.452 21.940 1.00 0.00 H new ATOM 0 HB3 GLN A 78 23.991 -7.948 20.331 1.00 0.00 H new ATOM 0 HG2 GLN A 78 25.874 -9.120 20.761 1.00 0.00 H new ATOM 0 HG3 GLN A 78 26.371 -7.682 21.631 1.00 0.00 H new ATOM 0 HE21 GLN A 78 26.398 -10.905 21.858 1.00 0.00 H new ATOM 0 HE22 GLN A 78 26.223 -11.123 23.603 1.00 0.00 H new ATOM 1191 N SER A 79 24.508 -4.602 20.235 1.00 0.00 N ATOM 1192 CA SER A 79 24.168 -3.714 19.130 1.00 0.00 C ATOM 1193 C SER A 79 24.106 -4.484 17.814 1.00 0.00 C ATOM 1194 O SER A 79 25.018 -5.241 17.481 1.00 0.00 O ATOM 1195 CB SER A 79 25.192 -2.582 19.023 1.00 0.00 C ATOM 1196 OG SER A 79 24.629 -1.346 19.429 1.00 0.00 O ATOM 0 H SER A 79 25.424 -4.429 20.649 1.00 0.00 H new ATOM 0 HA SER A 79 23.185 -3.287 19.329 1.00 0.00 H new ATOM 0 HB2 SER A 79 26.059 -2.812 19.643 1.00 0.00 H new ATOM 0 HB3 SER A 79 25.547 -2.504 17.995 1.00 0.00 H new ATOM 0 HG SER A 79 23.727 -1.259 19.055 1.00 0.00 H new ATOM 1202 N VAL A 80 23.023 -4.285 17.069 1.00 0.00 N ATOM 1203 CA VAL A 80 22.841 -4.959 15.789 1.00 0.00 C ATOM 1204 C VAL A 80 22.895 -3.966 14.633 1.00 0.00 C ATOM 1205 O VAL A 80 22.663 -2.771 14.816 1.00 0.00 O ATOM 1206 CB VAL A 80 21.500 -5.716 15.739 1.00 0.00 C ATOM 1207 CG1 VAL A 80 21.399 -6.698 16.896 1.00 0.00 C ATOM 1208 CG2 VAL A 80 20.336 -4.738 15.756 1.00 0.00 C ATOM 0 H VAL A 80 22.258 -3.662 17.330 1.00 0.00 H new ATOM 0 HA VAL A 80 23.657 -5.674 15.689 1.00 0.00 H new ATOM 0 HB VAL A 80 21.456 -6.282 14.808 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.446 -7.224 16.845 1.00 0.00 H new ATOM 0 HG12 VAL A 80 22.215 -7.419 16.834 1.00 0.00 H new ATOM 0 HG13 VAL A 80 21.464 -6.156 17.840 1.00 0.00 H new ATOM 0 HG21 VAL A 80 19.397 -5.290 15.720 1.00 0.00 H new ATOM 0 HG22 VAL A 80 20.373 -4.144 16.669 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.402 -4.078 14.891 1.00 0.00 H new ATOM 1218 N VAL A 81 23.202 -4.470 13.442 1.00 0.00 N ATOM 1219 CA VAL A 81 23.285 -3.628 12.254 1.00 0.00 C ATOM 1220 C VAL A 81 22.683 -4.328 11.041 1.00 0.00 C ATOM 1221 O VAL A 81 23.035 -4.029 9.901 1.00 0.00 O ATOM 1222 CB VAL A 81 24.742 -3.243 11.940 1.00 0.00 C ATOM 1223 CG1 VAL A 81 25.243 -2.197 12.925 1.00 0.00 C ATOM 1224 CG2 VAL A 81 25.634 -4.475 11.959 1.00 0.00 C ATOM 0 H VAL A 81 23.397 -5.457 13.274 1.00 0.00 H new ATOM 0 HA VAL A 81 22.716 -2.723 12.467 1.00 0.00 H new ATOM 0 HB VAL A 81 24.778 -2.812 10.940 1.00 0.00 H new ATOM 0 HG11 VAL A 81 26.275 -1.938 12.687 1.00 0.00 H new ATOM 0 HG12 VAL A 81 24.620 -1.305 12.857 1.00 0.00 H new ATOM 0 HG13 VAL A 81 25.194 -2.598 13.937 1.00 0.00 H new ATOM 0 HG21 VAL A 81 26.660 -4.185 11.735 1.00 0.00 H new ATOM 0 HG22 VAL A 81 25.595 -4.937 12.945 1.00 0.00 H new ATOM 0 HG23 VAL A 81 25.287 -5.187 11.210 1.00 0.00 H new ATOM 1234 N SER A 82 21.771 -5.262 11.296 1.00 0.00 N ATOM 1235 CA SER A 82 21.122 -6.008 10.224 1.00 0.00 C ATOM 1236 C SER A 82 19.890 -6.743 10.744 1.00 0.00 C ATOM 1237 O SER A 82 19.900 -7.294 11.844 1.00 0.00 O ATOM 1238 CB SER A 82 22.101 -7.007 9.603 1.00 0.00 C ATOM 1239 OG SER A 82 22.621 -6.517 8.379 1.00 0.00 O ATOM 0 H SER A 82 21.465 -5.520 12.234 1.00 0.00 H new ATOM 0 HA SER A 82 20.806 -5.298 9.460 1.00 0.00 H new ATOM 0 HB2 SER A 82 22.918 -7.200 10.298 1.00 0.00 H new ATOM 0 HB3 SER A 82 21.596 -7.958 9.433 1.00 0.00 H new ATOM 0 HG SER A 82 22.905 -5.586 8.494 1.00 0.00 H new ATOM 1245 N ALA A 83 18.829 -6.746 9.943 1.00 0.00 N ATOM 1246 CA ALA A 83 17.589 -7.413 10.319 1.00 0.00 C ATOM 1247 C ALA A 83 17.812 -8.907 10.531 1.00 0.00 C ATOM 1248 O ALA A 83 17.055 -9.562 11.245 1.00 0.00 O ATOM 1249 CB ALA A 83 16.522 -7.182 9.260 1.00 0.00 C ATOM 0 H ALA A 83 18.804 -6.294 9.029 1.00 0.00 H new ATOM 0 HA ALA A 83 17.247 -6.985 11.262 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.602 -7.686 9.555 1.00 0.00 H new ATOM 0 HB2 ALA A 83 16.334 -6.113 9.160 1.00 0.00 H new ATOM 0 HB3 ALA A 83 16.865 -7.581 8.305 1.00 0.00 H new ATOM 1255 N ASN A 84 18.856 -9.439 9.903 1.00 0.00 N ATOM 1256 CA ASN A 84 19.178 -10.857 10.022 1.00 0.00 C ATOM 1257 C ASN A 84 19.806 -11.160 11.379 1.00 0.00 C ATOM 1258 O ASN A 84 19.728 -12.285 11.873 1.00 0.00 O ATOM 1259 CB ASN A 84 20.130 -11.281 8.901 1.00 0.00 C ATOM 1260 CG ASN A 84 19.427 -12.071 7.814 1.00 0.00 C ATOM 1261 OD1 ASN A 84 18.253 -11.840 7.524 1.00 0.00 O ATOM 1262 ND2 ASN A 84 20.144 -13.010 7.208 1.00 0.00 N ATOM 0 H ASN A 84 19.493 -8.910 9.307 1.00 0.00 H new ATOM 0 HA ASN A 84 18.251 -11.423 9.936 1.00 0.00 H new ATOM 0 HB2 ASN A 84 20.589 -10.395 8.463 1.00 0.00 H new ATOM 0 HB3 ASN A 84 20.936 -11.883 9.321 1.00 0.00 H new ATOM 0 HD21 ASN A 84 19.725 -13.575 6.469 1.00 0.00 H new ATOM 0 HD22 ASN A 84 21.114 -13.167 7.481 1.00 0.00 H new ATOM 1269 N ASP A 85 20.428 -10.149 11.976 1.00 0.00 N ATOM 1270 CA ASP A 85 21.068 -10.307 13.277 1.00 0.00 C ATOM 1271 C ASP A 85 20.031 -10.316 14.395 1.00 0.00 C ATOM 1272 O ASP A 85 20.085 -11.151 15.299 1.00 0.00 O ATOM 1273 CB ASP A 85 22.079 -9.183 13.511 1.00 0.00 C ATOM 1274 CG ASP A 85 23.501 -9.609 13.202 1.00 0.00 C ATOM 1275 OD1 ASP A 85 24.082 -10.367 14.007 1.00 0.00 O ATOM 1276 OD2 ASP A 85 24.032 -9.185 12.155 1.00 0.00 O ATOM 0 H ASP A 85 20.503 -9.212 11.580 1.00 0.00 H new ATOM 0 HA ASP A 85 21.591 -11.263 13.284 1.00 0.00 H new ATOM 0 HB2 ASP A 85 21.816 -8.327 12.890 1.00 0.00 H new ATOM 0 HB3 ASP A 85 22.019 -8.854 14.549 1.00 0.00 H new ATOM 1281 N VAL A 86 19.088 -9.382 14.329 1.00 0.00 N ATOM 1282 CA VAL A 86 18.038 -9.282 15.336 1.00 0.00 C ATOM 1283 C VAL A 86 17.180 -10.542 15.361 1.00 0.00 C ATOM 1284 O VAL A 86 16.570 -10.870 16.379 1.00 0.00 O ATOM 1285 CB VAL A 86 17.133 -8.062 15.084 1.00 0.00 C ATOM 1286 CG1 VAL A 86 17.928 -6.772 15.211 1.00 0.00 C ATOM 1287 CG2 VAL A 86 16.475 -8.161 13.716 1.00 0.00 C ATOM 0 H VAL A 86 19.029 -8.683 13.588 1.00 0.00 H new ATOM 0 HA VAL A 86 18.533 -9.164 16.300 1.00 0.00 H new ATOM 0 HB VAL A 86 16.347 -8.052 15.840 1.00 0.00 H new ATOM 0 HG11 VAL A 86 17.272 -5.921 15.030 1.00 0.00 H new ATOM 0 HG12 VAL A 86 18.347 -6.700 16.215 1.00 0.00 H new ATOM 0 HG13 VAL A 86 18.736 -6.769 14.480 1.00 0.00 H new ATOM 0 HG21 VAL A 86 15.839 -7.291 13.554 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.244 -8.197 12.944 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.870 -9.066 13.668 1.00 0.00 H new ATOM 1297 N SER A 87 17.137 -11.245 14.233 1.00 0.00 N ATOM 1298 CA SER A 87 16.350 -12.468 14.124 1.00 0.00 C ATOM 1299 C SER A 87 17.097 -13.650 14.734 1.00 0.00 C ATOM 1300 O SER A 87 16.490 -14.648 15.124 1.00 0.00 O ATOM 1301 CB SER A 87 16.021 -12.759 12.659 1.00 0.00 C ATOM 1302 OG SER A 87 17.119 -13.366 12.001 1.00 0.00 O ATOM 0 H SER A 87 17.638 -10.988 13.382 1.00 0.00 H new ATOM 0 HA SER A 87 15.421 -12.324 14.675 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.151 -13.414 12.601 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.756 -11.832 12.151 1.00 0.00 H new ATOM 0 HG SER A 87 17.916 -12.806 12.110 1.00 0.00 H new ATOM 1308 N ASP A 88 18.417 -13.530 14.814 1.00 0.00 N ATOM 1309 CA ASP A 88 19.249 -14.588 15.377 1.00 0.00 C ATOM 1310 C ASP A 88 18.938 -14.794 16.856 1.00 0.00 C ATOM 1311 O ASP A 88 18.748 -15.922 17.310 1.00 0.00 O ATOM 1312 CB ASP A 88 20.730 -14.253 15.196 1.00 0.00 C ATOM 1313 CG ASP A 88 21.448 -15.260 14.319 1.00 0.00 C ATOM 1314 OD1 ASP A 88 21.023 -15.446 13.160 1.00 0.00 O ATOM 1315 OD2 ASP A 88 22.435 -15.861 14.792 1.00 0.00 O ATOM 0 H ASP A 88 18.935 -12.711 14.496 1.00 0.00 H new ATOM 0 HA ASP A 88 19.027 -15.513 14.845 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.824 -13.260 14.756 1.00 0.00 H new ATOM 0 HB3 ASP A 88 21.213 -14.216 16.172 1.00 0.00 H new ATOM 1320 N VAL A 89 18.889 -13.696 17.604 1.00 0.00 N ATOM 1321 CA VAL A 89 18.602 -13.755 19.032 1.00 0.00 C ATOM 1322 C VAL A 89 17.301 -14.505 19.300 1.00 0.00 C ATOM 1323 O VAL A 89 17.120 -15.091 20.368 1.00 0.00 O ATOM 1324 CB VAL A 89 18.505 -12.345 19.644 1.00 0.00 C ATOM 1325 CG1 VAL A 89 18.282 -12.430 21.146 1.00 0.00 C ATOM 1326 CG2 VAL A 89 19.756 -11.540 19.327 1.00 0.00 C ATOM 0 H VAL A 89 19.045 -12.754 17.244 1.00 0.00 H new ATOM 0 HA VAL A 89 19.429 -14.289 19.500 1.00 0.00 H new ATOM 0 HB VAL A 89 17.650 -11.833 19.202 1.00 0.00 H new ATOM 0 HG11 VAL A 89 18.216 -11.424 21.562 1.00 0.00 H new ATOM 0 HG12 VAL A 89 17.355 -12.967 21.346 1.00 0.00 H new ATOM 0 HG13 VAL A 89 19.115 -12.960 21.608 1.00 0.00 H new ATOM 0 HG21 VAL A 89 19.671 -10.546 19.767 1.00 0.00 H new ATOM 0 HG22 VAL A 89 20.629 -12.046 19.740 1.00 0.00 H new ATOM 0 HG23 VAL A 89 19.867 -11.450 18.246 1.00 0.00 H new ATOM 1336 N ILE A 90 16.400 -14.481 18.324 1.00 0.00 N ATOM 1337 CA ILE A 90 15.116 -15.160 18.455 1.00 0.00 C ATOM 1338 C ILE A 90 15.305 -16.662 18.639 1.00 0.00 C ATOM 1339 O ILE A 90 14.668 -17.279 19.493 1.00 0.00 O ATOM 1340 CB ILE A 90 14.222 -14.913 17.226 1.00 0.00 C ATOM 1341 CG1 ILE A 90 14.064 -13.412 16.976 1.00 0.00 C ATOM 1342 CG2 ILE A 90 12.863 -15.569 17.419 1.00 0.00 C ATOM 1343 CD1 ILE A 90 13.206 -13.087 15.773 1.00 0.00 C ATOM 0 H ILE A 90 16.535 -14.000 17.435 1.00 0.00 H new ATOM 0 HA ILE A 90 14.628 -14.747 19.338 1.00 0.00 H new ATOM 0 HB ILE A 90 14.699 -15.359 16.353 1.00 0.00 H new ATOM 0 HG12 ILE A 90 13.626 -12.949 17.860 1.00 0.00 H new ATOM 0 HG13 ILE A 90 15.050 -12.969 16.839 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.243 -15.385 16.542 1.00 0.00 H new ATOM 0 HG22 ILE A 90 12.993 -16.643 17.553 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.378 -15.149 18.301 1.00 0.00 H new ATOM 0 HD11 ILE A 90 13.138 -12.005 15.656 1.00 0.00 H new ATOM 0 HD12 ILE A 90 13.654 -13.521 14.879 1.00 0.00 H new ATOM 0 HD13 ILE A 90 12.208 -13.500 15.916 1.00 0.00 H new ATOM 1355 N LYS A 91 16.185 -17.245 17.833 1.00 0.00 N ATOM 1356 CA LYS A 91 16.462 -18.675 17.908 1.00 0.00 C ATOM 1357 C LYS A 91 17.609 -18.957 18.873 1.00 0.00 C ATOM 1358 O LYS A 91 17.783 -20.086 19.332 1.00 0.00 O ATOM 1359 CB LYS A 91 16.802 -19.223 16.520 1.00 0.00 C ATOM 1360 CG LYS A 91 18.188 -18.833 16.035 1.00 0.00 C ATOM 1361 CD LYS A 91 18.134 -18.164 14.672 1.00 0.00 C ATOM 1362 CE LYS A 91 17.730 -19.148 13.584 1.00 0.00 C ATOM 1363 NZ LYS A 91 18.724 -20.246 13.433 1.00 0.00 N ATOM 0 H LYS A 91 16.719 -16.749 17.120 1.00 0.00 H new ATOM 0 HA LYS A 91 15.567 -19.174 18.280 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.725 -20.310 16.539 1.00 0.00 H new ATOM 0 HB3 LYS A 91 16.062 -18.864 15.805 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.650 -18.157 16.755 1.00 0.00 H new ATOM 0 HG3 LYS A 91 18.819 -19.720 15.981 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.424 -17.338 14.699 1.00 0.00 H new ATOM 0 HD3 LYS A 91 19.109 -17.738 14.435 1.00 0.00 H new ATOM 0 HE2 LYS A 91 16.754 -19.572 13.821 1.00 0.00 H new ATOM 0 HE3 LYS A 91 17.626 -18.619 12.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 18.568 -20.733 12.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 19.685 -19.849 13.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.614 -20.924 14.214 1.00 0.00 H new ATOM 1377 N ARG A 92 18.388 -17.924 19.178 1.00 0.00 N ATOM 1378 CA ARG A 92 19.518 -18.062 20.089 1.00 0.00 C ATOM 1379 C ARG A 92 19.049 -18.060 21.541 1.00 0.00 C ATOM 1380 O ARG A 92 19.322 -18.995 22.293 1.00 0.00 O ATOM 1381 CB ARG A 92 20.522 -16.930 19.865 1.00 0.00 C ATOM 1382 CG ARG A 92 21.865 -17.166 20.535 1.00 0.00 C ATOM 1383 CD ARG A 92 23.004 -17.138 19.528 1.00 0.00 C ATOM 1384 NE ARG A 92 24.226 -16.577 20.098 1.00 0.00 N ATOM 1385 CZ ARG A 92 24.452 -15.273 20.212 1.00 0.00 C ATOM 1386 NH1 ARG A 92 23.543 -14.400 19.798 1.00 0.00 N ATOM 1387 NH2 ARG A 92 25.588 -14.839 20.742 1.00 0.00 N ATOM 0 H ARG A 92 18.257 -16.983 18.808 1.00 0.00 H new ATOM 0 HA ARG A 92 20.004 -19.016 19.883 1.00 0.00 H new ATOM 0 HB2 ARG A 92 20.678 -16.800 18.794 1.00 0.00 H new ATOM 0 HB3 ARG A 92 20.097 -15.999 20.240 1.00 0.00 H new ATOM 0 HG2 ARG A 92 22.032 -16.403 21.296 1.00 0.00 H new ATOM 0 HG3 ARG A 92 21.853 -18.129 21.046 1.00 0.00 H new ATOM 0 HD2 ARG A 92 23.200 -18.150 19.175 1.00 0.00 H new ATOM 0 HD3 ARG A 92 22.706 -16.550 18.660 1.00 0.00 H new ATOM 0 HE ARG A 92 24.945 -17.222 20.426 1.00 0.00 H new ATOM 0 HH11 ARG A 92 22.668 -14.729 19.391 1.00 0.00 H new ATOM 0 HH12 ARG A 92 23.719 -13.399 19.887 1.00 0.00 H new ATOM 0 HH21 ARG A 92 26.289 -15.507 21.063 1.00 0.00 H new ATOM 0 HH22 ARG A 92 25.760 -13.837 20.829 1.00 0.00 H new ATOM 1401 N GLU A 93 18.341 -17.002 21.928 1.00 0.00 N ATOM 1402 CA GLU A 93 17.836 -16.879 23.290 1.00 0.00 C ATOM 1403 C GLU A 93 16.317 -17.023 23.322 1.00 0.00 C ATOM 1404 O GLU A 93 15.629 -16.669 22.364 1.00 0.00 O ATOM 1405 CB GLU A 93 18.245 -15.531 23.889 1.00 0.00 C ATOM 1406 CG GLU A 93 19.697 -15.167 23.632 1.00 0.00 C ATOM 1407 CD GLU A 93 20.665 -16.095 24.339 1.00 0.00 C ATOM 1408 OE1 GLU A 93 20.821 -17.248 23.885 1.00 0.00 O ATOM 1409 OE2 GLU A 93 21.267 -15.669 25.347 1.00 0.00 O ATOM 0 H GLU A 93 18.105 -16.219 21.318 1.00 0.00 H new ATOM 0 HA GLU A 93 18.272 -17.681 23.886 1.00 0.00 H new ATOM 0 HB2 GLU A 93 17.605 -14.751 23.477 1.00 0.00 H new ATOM 0 HB3 GLU A 93 18.069 -15.552 24.965 1.00 0.00 H new ATOM 0 HG2 GLU A 93 19.890 -15.195 22.560 1.00 0.00 H new ATOM 0 HG3 GLU A 93 19.875 -14.143 23.961 1.00 0.00 H new ATOM 1416 N SER A 94 15.801 -17.544 24.430 1.00 0.00 N ATOM 1417 CA SER A 94 14.365 -17.739 24.586 1.00 0.00 C ATOM 1418 C SER A 94 13.641 -16.399 24.675 1.00 0.00 C ATOM 1419 O SER A 94 12.498 -16.267 24.237 1.00 0.00 O ATOM 1420 CB SER A 94 14.075 -18.573 25.836 1.00 0.00 C ATOM 1421 OG SER A 94 13.450 -19.799 25.498 1.00 0.00 O ATOM 0 H SER A 94 16.356 -17.839 25.233 1.00 0.00 H new ATOM 0 HA SER A 94 13.998 -18.272 23.709 1.00 0.00 H new ATOM 0 HB2 SER A 94 15.005 -18.770 26.369 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.433 -18.009 26.513 1.00 0.00 H new ATOM 0 HG SER A 94 13.277 -20.314 26.314 1.00 0.00 H new ATOM 1427 N THR A 95 14.315 -15.406 25.246 1.00 0.00 N ATOM 1428 CA THR A 95 13.738 -14.076 25.395 1.00 0.00 C ATOM 1429 C THR A 95 14.257 -13.128 24.319 1.00 0.00 C ATOM 1430 O THR A 95 15.146 -13.481 23.543 1.00 0.00 O ATOM 1431 CB THR A 95 14.048 -13.481 26.781 1.00 0.00 C ATOM 1432 OG1 THR A 95 14.332 -14.531 27.713 1.00 0.00 O ATOM 1433 CG2 THR A 95 12.878 -12.650 27.287 1.00 0.00 C ATOM 0 H THR A 95 15.262 -15.498 25.613 1.00 0.00 H new ATOM 0 HA THR A 95 12.659 -14.186 25.289 1.00 0.00 H new ATOM 0 HB THR A 95 14.920 -12.834 26.687 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.530 -14.144 28.591 1.00 0.00 H new ATOM 0 HG21 THR A 95 13.120 -12.240 28.268 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.683 -11.834 26.591 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.992 -13.280 27.366 1.00 0.00 H new ATOM 1441 N LEU A 96 13.698 -11.924 24.279 1.00 0.00 N ATOM 1442 CA LEU A 96 14.105 -10.924 23.298 1.00 0.00 C ATOM 1443 C LEU A 96 14.063 -9.523 23.900 1.00 0.00 C ATOM 1444 O LEU A 96 13.023 -8.867 23.899 1.00 0.00 O ATOM 1445 CB LEU A 96 13.199 -10.990 22.067 1.00 0.00 C ATOM 1446 CG LEU A 96 13.206 -12.312 21.299 1.00 0.00 C ATOM 1447 CD1 LEU A 96 12.241 -12.252 20.125 1.00 0.00 C ATOM 1448 CD2 LEU A 96 14.612 -12.643 20.819 1.00 0.00 C ATOM 0 H LEU A 96 12.962 -11.616 24.914 1.00 0.00 H new ATOM 0 HA LEU A 96 15.130 -11.141 22.999 1.00 0.00 H new ATOM 0 HB2 LEU A 96 12.177 -10.781 22.382 1.00 0.00 H new ATOM 0 HB3 LEU A 96 13.491 -10.194 21.383 1.00 0.00 H new ATOM 0 HG LEU A 96 12.878 -13.103 21.973 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.259 -13.202 19.590 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.233 -12.062 20.492 1.00 0.00 H new ATOM 0 HD13 LEU A 96 12.539 -11.450 19.450 1.00 0.00 H new ATOM 0 HD21 LEU A 96 14.598 -13.587 20.274 1.00 0.00 H new ATOM 0 HD22 LEU A 96 14.968 -11.850 20.161 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.279 -12.729 21.677 1.00 0.00 H new ATOM 1460 N ASN A 97 15.204 -9.070 24.411 1.00 0.00 N ATOM 1461 CA ASN A 97 15.298 -7.746 25.015 1.00 0.00 C ATOM 1462 C ASN A 97 15.769 -6.715 23.994 1.00 0.00 C ATOM 1463 O ASN A 97 16.908 -6.253 24.043 1.00 0.00 O ATOM 1464 CB ASN A 97 16.256 -7.773 26.208 1.00 0.00 C ATOM 1465 CG ASN A 97 15.733 -8.623 27.350 1.00 0.00 C ATOM 1466 OD1 ASN A 97 15.344 -8.105 28.396 1.00 0.00 O ATOM 1467 ND2 ASN A 97 15.722 -9.936 27.153 1.00 0.00 N ATOM 0 H ASN A 97 16.075 -9.600 24.419 1.00 0.00 H new ATOM 0 HA ASN A 97 14.305 -7.461 25.362 1.00 0.00 H new ATOM 0 HB2 ASN A 97 17.223 -8.158 25.885 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.420 -6.755 26.562 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.381 -10.559 27.885 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.054 -10.322 26.269 1.00 0.00 H new ATOM 1474 N MET A 98 14.883 -6.358 23.070 1.00 0.00 N ATOM 1475 CA MET A 98 15.207 -5.380 22.038 1.00 0.00 C ATOM 1476 C MET A 98 15.101 -3.959 22.583 1.00 0.00 C ATOM 1477 O MET A 98 14.441 -3.719 23.594 1.00 0.00 O ATOM 1478 CB MET A 98 14.276 -5.548 20.835 1.00 0.00 C ATOM 1479 CG MET A 98 14.057 -6.998 20.434 1.00 0.00 C ATOM 1480 SD MET A 98 13.694 -7.185 18.678 1.00 0.00 S ATOM 1481 CE MET A 98 12.938 -8.809 18.660 1.00 0.00 C ATOM 0 H MET A 98 13.935 -6.731 23.015 1.00 0.00 H new ATOM 0 HA MET A 98 16.235 -5.552 21.719 1.00 0.00 H new ATOM 0 HB2 MET A 98 13.312 -5.094 21.065 1.00 0.00 H new ATOM 0 HB3 MET A 98 14.690 -5.003 19.986 1.00 0.00 H new ATOM 0 HG2 MET A 98 14.946 -7.578 20.681 1.00 0.00 H new ATOM 0 HG3 MET A 98 13.235 -7.412 21.017 1.00 0.00 H new ATOM 0 HE1 MET A 98 12.393 -8.946 17.726 1.00 0.00 H new ATOM 0 HE2 MET A 98 13.712 -9.572 18.744 1.00 0.00 H new ATOM 0 HE3 MET A 98 12.248 -8.899 19.499 1.00 0.00 H new ATOM 1491 N VAL A 99 15.756 -3.021 21.907 1.00 0.00 N ATOM 1492 CA VAL A 99 15.735 -1.623 22.323 1.00 0.00 C ATOM 1493 C VAL A 99 15.514 -0.698 21.132 1.00 0.00 C ATOM 1494 O VAL A 99 16.454 -0.358 20.413 1.00 0.00 O ATOM 1495 CB VAL A 99 17.046 -1.228 23.030 1.00 0.00 C ATOM 1496 CG1 VAL A 99 16.966 0.201 23.542 1.00 0.00 C ATOM 1497 CG2 VAL A 99 17.351 -2.194 24.165 1.00 0.00 C ATOM 0 H VAL A 99 16.308 -3.203 21.069 1.00 0.00 H new ATOM 0 HA VAL A 99 14.906 -1.514 23.022 1.00 0.00 H new ATOM 0 HB VAL A 99 17.860 -1.284 22.307 1.00 0.00 H new ATOM 0 HG11 VAL A 99 17.901 0.463 24.038 1.00 0.00 H new ATOM 0 HG12 VAL A 99 16.798 0.879 22.705 1.00 0.00 H new ATOM 0 HG13 VAL A 99 16.142 0.288 24.250 1.00 0.00 H new ATOM 0 HG21 VAL A 99 18.280 -1.900 24.653 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.537 -2.172 24.890 1.00 0.00 H new ATOM 0 HG23 VAL A 99 17.454 -3.203 23.766 1.00 0.00 H new ATOM 1507 N VAL A 100 14.264 -0.293 20.928 1.00 0.00 N ATOM 1508 CA VAL A 100 13.919 0.595 19.825 1.00 0.00 C ATOM 1509 C VAL A 100 13.688 2.019 20.317 1.00 0.00 C ATOM 1510 O VAL A 100 13.300 2.235 21.465 1.00 0.00 O ATOM 1511 CB VAL A 100 12.658 0.108 19.086 1.00 0.00 C ATOM 1512 CG1 VAL A 100 11.434 0.233 19.981 1.00 0.00 C ATOM 1513 CG2 VAL A 100 12.465 0.885 17.793 1.00 0.00 C ATOM 0 H VAL A 100 13.474 -0.566 21.513 1.00 0.00 H new ATOM 0 HA VAL A 100 14.763 0.585 19.135 1.00 0.00 H new ATOM 0 HB VAL A 100 12.789 -0.944 18.834 1.00 0.00 H new ATOM 0 HG11 VAL A 100 10.553 -0.115 19.443 1.00 0.00 H new ATOM 0 HG12 VAL A 100 11.575 -0.372 20.877 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.296 1.276 20.266 1.00 0.00 H new ATOM 0 HG21 VAL A 100 11.570 0.528 17.284 1.00 0.00 H new ATOM 0 HG22 VAL A 100 12.355 1.946 18.019 1.00 0.00 H new ATOM 0 HG23 VAL A 100 13.332 0.739 17.148 1.00 0.00 H new ATOM 1523 N ARG A 101 13.930 2.989 19.440 1.00 0.00 N ATOM 1524 CA ARG A 101 13.750 4.393 19.786 1.00 0.00 C ATOM 1525 C ARG A 101 12.371 4.886 19.357 1.00 0.00 C ATOM 1526 O ARG A 101 12.049 4.906 18.169 1.00 0.00 O ATOM 1527 CB ARG A 101 14.835 5.246 19.126 1.00 0.00 C ATOM 1528 CG ARG A 101 16.205 5.089 19.766 1.00 0.00 C ATOM 1529 CD ARG A 101 16.303 5.864 21.070 1.00 0.00 C ATOM 1530 NE ARG A 101 17.666 6.318 21.336 1.00 0.00 N ATOM 1531 CZ ARG A 101 17.960 7.311 22.168 1.00 0.00 C ATOM 1532 NH1 ARG A 101 16.993 7.950 22.812 1.00 0.00 N ATOM 1533 NH2 ARG A 101 19.225 7.666 22.358 1.00 0.00 N ATOM 0 H ARG A 101 14.251 2.827 18.485 1.00 0.00 H new ATOM 0 HA ARG A 101 13.831 4.487 20.869 1.00 0.00 H new ATOM 0 HB2 ARG A 101 14.903 4.980 18.071 1.00 0.00 H new ATOM 0 HB3 ARG A 101 14.540 6.294 19.172 1.00 0.00 H new ATOM 0 HG2 ARG A 101 16.401 4.033 19.953 1.00 0.00 H new ATOM 0 HG3 ARG A 101 16.973 5.438 19.075 1.00 0.00 H new ATOM 0 HD2 ARG A 101 15.635 6.725 21.031 1.00 0.00 H new ATOM 0 HD3 ARG A 101 15.964 5.234 21.892 1.00 0.00 H new ATOM 0 HE ARG A 101 18.433 5.847 20.857 1.00 0.00 H new ATOM 0 HH11 ARG A 101 16.020 7.680 22.669 1.00 0.00 H new ATOM 0 HH12 ARG A 101 17.222 8.712 23.450 1.00 0.00 H new ATOM 0 HH21 ARG A 101 19.972 7.176 21.865 1.00 0.00 H new ATOM 0 HH22 ARG A 101 19.450 8.429 22.997 1.00 0.00 H new ATOM 1547 N ARG A 102 11.560 5.282 20.333 1.00 0.00 N ATOM 1548 CA ARG A 102 10.215 5.772 20.057 1.00 0.00 C ATOM 1549 C ARG A 102 10.089 7.248 20.424 1.00 0.00 C ATOM 1550 O ARG A 102 10.163 7.616 21.596 1.00 0.00 O ATOM 1551 CB ARG A 102 9.181 4.953 20.832 1.00 0.00 C ATOM 1552 CG ARG A 102 8.002 4.502 19.985 1.00 0.00 C ATOM 1553 CD ARG A 102 7.470 3.154 20.444 1.00 0.00 C ATOM 1554 NE ARG A 102 8.095 2.046 19.728 1.00 0.00 N ATOM 1555 CZ ARG A 102 7.831 0.768 19.977 1.00 0.00 C ATOM 1556 NH1 ARG A 102 6.959 0.439 20.920 1.00 0.00 N ATOM 1557 NH2 ARG A 102 8.440 -0.184 19.282 1.00 0.00 N ATOM 0 H ARG A 102 11.811 5.273 21.322 1.00 0.00 H new ATOM 0 HA ARG A 102 10.028 5.663 18.989 1.00 0.00 H new ATOM 0 HB2 ARG A 102 9.669 4.076 21.257 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.811 5.548 21.667 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.207 5.246 20.040 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.307 4.438 18.940 1.00 0.00 H new ATOM 0 HD2 ARG A 102 7.647 3.040 21.514 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.391 3.120 20.294 1.00 0.00 H new ATOM 0 HE ARG A 102 8.771 2.265 18.997 1.00 0.00 H new ATOM 0 HH11 ARG A 102 6.489 1.168 21.457 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.758 -0.543 21.109 1.00 0.00 H new ATOM 0 HH21 ARG A 102 9.112 0.065 18.556 1.00 0.00 H new ATOM 0 HH22 ARG A 102 8.237 -1.165 19.474 1.00 0.00 H new ATOM 1571 N GLY A 103 9.898 8.090 19.413 1.00 0.00 N ATOM 1572 CA GLY A 103 9.765 9.516 19.649 1.00 0.00 C ATOM 1573 C GLY A 103 11.101 10.190 19.889 1.00 0.00 C ATOM 1574 O GLY A 103 11.690 10.759 18.971 1.00 0.00 O ATOM 0 H GLY A 103 9.833 7.810 18.434 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.277 9.979 18.792 1.00 0.00 H new ATOM 0 HA3 GLY A 103 9.119 9.680 20.511 1.00 0.00 H new ATOM 1578 N ASN A 104 11.579 10.129 21.128 1.00 0.00 N ATOM 1579 CA ASN A 104 12.853 10.741 21.486 1.00 0.00 C ATOM 1580 C ASN A 104 13.450 10.071 22.720 1.00 0.00 C ATOM 1581 O ASN A 104 14.021 10.736 23.584 1.00 0.00 O ATOM 1582 CB ASN A 104 12.669 12.238 21.744 1.00 0.00 C ATOM 1583 CG ASN A 104 12.422 13.018 20.467 1.00 0.00 C ATOM 1584 OD1 ASN A 104 13.348 13.286 19.701 1.00 0.00 O ATOM 1585 ND2 ASN A 104 11.168 13.386 20.231 1.00 0.00 N ATOM 0 H ASN A 104 11.103 9.662 21.900 1.00 0.00 H new ATOM 0 HA ASN A 104 13.541 10.605 20.651 1.00 0.00 H new ATOM 0 HB2 ASN A 104 11.831 12.386 22.425 1.00 0.00 H new ATOM 0 HB3 ASN A 104 13.557 12.630 22.240 1.00 0.00 H new ATOM 0 HD21 ASN A 104 10.941 13.912 19.387 1.00 0.00 H new ATOM 0 HD22 ASN A 104 10.432 13.142 20.893 1.00 0.00 H new ATOM 1592 N GLU A 105 13.314 8.751 22.795 1.00 0.00 N ATOM 1593 CA GLU A 105 13.840 7.992 23.923 1.00 0.00 C ATOM 1594 C GLU A 105 13.890 6.501 23.600 1.00 0.00 C ATOM 1595 O GLU A 105 13.155 6.016 22.740 1.00 0.00 O ATOM 1596 CB GLU A 105 12.982 8.226 25.168 1.00 0.00 C ATOM 1597 CG GLU A 105 11.488 8.125 24.906 1.00 0.00 C ATOM 1598 CD GLU A 105 10.668 8.177 26.180 1.00 0.00 C ATOM 1599 OE1 GLU A 105 10.554 7.133 26.857 1.00 0.00 O ATOM 1600 OE2 GLU A 105 10.139 9.262 26.501 1.00 0.00 O ATOM 0 H GLU A 105 12.844 8.185 22.088 1.00 0.00 H new ATOM 0 HA GLU A 105 14.855 8.338 24.119 1.00 0.00 H new ATOM 0 HB2 GLU A 105 13.258 7.499 25.931 1.00 0.00 H new ATOM 0 HB3 GLU A 105 13.205 9.213 25.573 1.00 0.00 H new ATOM 0 HG2 GLU A 105 11.182 8.939 24.248 1.00 0.00 H new ATOM 0 HG3 GLU A 105 11.277 7.194 24.380 1.00 0.00 H new ATOM 1607 N ASP A 106 14.763 5.781 24.295 1.00 0.00 N ATOM 1608 CA ASP A 106 14.911 4.345 24.083 1.00 0.00 C ATOM 1609 C ASP A 106 13.885 3.567 24.901 1.00 0.00 C ATOM 1610 O ASP A 106 13.603 3.911 26.050 1.00 0.00 O ATOM 1611 CB ASP A 106 16.325 3.896 24.455 1.00 0.00 C ATOM 1612 CG ASP A 106 16.719 4.324 25.855 1.00 0.00 C ATOM 1613 OD1 ASP A 106 16.303 3.650 26.820 1.00 0.00 O ATOM 1614 OD2 ASP A 106 17.444 5.333 25.986 1.00 0.00 O ATOM 0 H ASP A 106 15.379 6.167 25.010 1.00 0.00 H new ATOM 0 HA ASP A 106 14.739 4.139 23.027 1.00 0.00 H new ATOM 0 HB2 ASP A 106 16.390 2.811 24.378 1.00 0.00 H new ATOM 0 HB3 ASP A 106 17.035 4.310 23.739 1.00 0.00 H new ATOM 1619 N ILE A 107 13.330 2.519 24.302 1.00 0.00 N ATOM 1620 CA ILE A 107 12.335 1.693 24.975 1.00 0.00 C ATOM 1621 C ILE A 107 12.620 0.210 24.766 1.00 0.00 C ATOM 1622 O ILE A 107 12.854 -0.235 23.643 1.00 0.00 O ATOM 1623 CB ILE A 107 10.912 2.007 24.477 1.00 0.00 C ATOM 1624 CG1 ILE A 107 10.624 3.504 24.598 1.00 0.00 C ATOM 1625 CG2 ILE A 107 9.887 1.199 25.259 1.00 0.00 C ATOM 1626 CD1 ILE A 107 9.304 3.917 23.985 1.00 0.00 C ATOM 0 H ILE A 107 13.552 2.222 23.352 1.00 0.00 H new ATOM 0 HA ILE A 107 12.398 1.926 26.038 1.00 0.00 H new ATOM 0 HB ILE A 107 10.841 1.727 23.426 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.629 3.783 25.652 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.429 4.061 24.117 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.886 1.432 24.896 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.083 0.135 25.125 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.956 1.450 26.317 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.166 4.991 24.108 1.00 0.00 H new ATOM 0 HD12 ILE A 107 9.303 3.670 22.923 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.491 3.388 24.482 1.00 0.00 H new ATOM 1638 N MET A 108 12.597 -0.551 25.855 1.00 0.00 N ATOM 1639 CA MET A 108 12.850 -1.986 25.790 1.00 0.00 C ATOM 1640 C MET A 108 11.614 -2.734 25.300 1.00 0.00 C ATOM 1641 O MET A 108 10.489 -2.412 25.684 1.00 0.00 O ATOM 1642 CB MET A 108 13.269 -2.514 27.164 1.00 0.00 C ATOM 1643 CG MET A 108 14.727 -2.248 27.498 1.00 0.00 C ATOM 1644 SD MET A 108 15.398 -3.436 28.677 1.00 0.00 S ATOM 1645 CE MET A 108 16.802 -4.066 27.761 1.00 0.00 C ATOM 0 H MET A 108 12.406 -0.198 26.793 1.00 0.00 H new ATOM 0 HA MET A 108 13.660 -2.156 25.081 1.00 0.00 H new ATOM 0 HB2 MET A 108 12.640 -2.056 27.927 1.00 0.00 H new ATOM 0 HB3 MET A 108 13.086 -3.588 27.203 1.00 0.00 H new ATOM 0 HG2 MET A 108 15.317 -2.279 26.582 1.00 0.00 H new ATOM 0 HG3 MET A 108 14.824 -1.242 27.906 1.00 0.00 H new ATOM 0 HE1 MET A 108 17.258 -4.887 28.314 1.00 0.00 H new ATOM 0 HE2 MET A 108 16.470 -4.425 26.787 1.00 0.00 H new ATOM 0 HE3 MET A 108 17.534 -3.270 27.624 1.00 0.00 H new ATOM 1655 N ILE A 109 11.831 -3.732 24.450 1.00 0.00 N ATOM 1656 CA ILE A 109 10.734 -4.525 23.909 1.00 0.00 C ATOM 1657 C ILE A 109 10.941 -6.010 24.186 1.00 0.00 C ATOM 1658 O ILE A 109 11.674 -6.692 23.468 1.00 0.00 O ATOM 1659 CB ILE A 109 10.582 -4.314 22.391 1.00 0.00 C ATOM 1660 CG1 ILE A 109 10.453 -2.823 22.072 1.00 0.00 C ATOM 1661 CG2 ILE A 109 9.376 -5.080 21.868 1.00 0.00 C ATOM 1662 CD1 ILE A 109 9.226 -2.180 22.679 1.00 0.00 C ATOM 0 H ILE A 109 12.756 -4.010 24.121 1.00 0.00 H new ATOM 0 HA ILE A 109 9.825 -4.188 24.407 1.00 0.00 H new ATOM 0 HB ILE A 109 11.474 -4.697 21.894 1.00 0.00 H new ATOM 0 HG12 ILE A 109 11.341 -2.304 22.433 1.00 0.00 H new ATOM 0 HG13 ILE A 109 10.425 -2.692 20.990 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.282 -4.921 20.794 1.00 0.00 H new ATOM 0 HG22 ILE A 109 9.506 -6.144 22.067 1.00 0.00 H new ATOM 0 HG23 ILE A 109 8.475 -4.725 22.368 1.00 0.00 H new ATOM 0 HD11 ILE A 109 9.199 -1.124 22.412 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.331 -2.673 22.299 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.262 -2.279 23.764 1.00 0.00 H new ATOM 1674 N THR A 110 10.289 -6.508 25.232 1.00 0.00 N ATOM 1675 CA THR A 110 10.400 -7.913 25.604 1.00 0.00 C ATOM 1676 C THR A 110 9.445 -8.776 24.787 1.00 0.00 C ATOM 1677 O THR A 110 8.227 -8.624 24.874 1.00 0.00 O ATOM 1678 CB THR A 110 10.109 -8.122 27.102 1.00 0.00 C ATOM 1679 OG1 THR A 110 10.712 -7.075 27.870 1.00 0.00 O ATOM 1680 CG2 THR A 110 10.634 -9.470 27.573 1.00 0.00 C ATOM 0 H THR A 110 9.678 -5.959 25.837 1.00 0.00 H new ATOM 0 HA THR A 110 11.426 -8.215 25.395 1.00 0.00 H new ATOM 0 HB THR A 110 9.029 -8.100 27.245 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.520 -7.215 28.821 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.417 -9.595 28.634 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.150 -10.267 27.008 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.712 -9.516 27.416 1.00 0.00 H new ATOM 1688 N VAL A 111 10.007 -9.682 23.993 1.00 0.00 N ATOM 1689 CA VAL A 111 9.204 -10.571 23.161 1.00 0.00 C ATOM 1690 C VAL A 111 9.532 -12.033 23.444 1.00 0.00 C ATOM 1691 O VAL A 111 10.695 -12.394 23.632 1.00 0.00 O ATOM 1692 CB VAL A 111 9.424 -10.288 21.663 1.00 0.00 C ATOM 1693 CG1 VAL A 111 8.648 -11.282 20.813 1.00 0.00 C ATOM 1694 CG2 VAL A 111 9.023 -8.859 21.328 1.00 0.00 C ATOM 0 H VAL A 111 11.014 -9.820 23.908 1.00 0.00 H new ATOM 0 HA VAL A 111 8.160 -10.381 23.410 1.00 0.00 H new ATOM 0 HB VAL A 111 10.484 -10.406 21.439 1.00 0.00 H new ATOM 0 HG11 VAL A 111 8.815 -11.067 19.758 1.00 0.00 H new ATOM 0 HG12 VAL A 111 8.987 -12.294 21.035 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.584 -11.199 21.036 1.00 0.00 H new ATOM 0 HG21 VAL A 111 9.185 -8.675 20.266 1.00 0.00 H new ATOM 0 HG22 VAL A 111 7.969 -8.712 21.566 1.00 0.00 H new ATOM 0 HG23 VAL A 111 9.627 -8.165 21.912 1.00 0.00 H new ATOM 1704 N ILE A 112 8.501 -12.870 23.472 1.00 0.00 N ATOM 1705 CA ILE A 112 8.680 -14.294 23.730 1.00 0.00 C ATOM 1706 C ILE A 112 8.362 -15.122 22.490 1.00 0.00 C ATOM 1707 O ILE A 112 7.232 -15.561 22.279 1.00 0.00 O ATOM 1708 CB ILE A 112 7.791 -14.771 24.894 1.00 0.00 C ATOM 1709 CG1 ILE A 112 7.999 -13.882 26.122 1.00 0.00 C ATOM 1710 CG2 ILE A 112 8.091 -16.224 25.228 1.00 0.00 C ATOM 1711 CD1 ILE A 112 9.438 -13.821 26.586 1.00 0.00 C ATOM 0 H ILE A 112 7.533 -12.587 23.319 1.00 0.00 H new ATOM 0 HA ILE A 112 9.726 -14.437 24.000 1.00 0.00 H new ATOM 0 HB ILE A 112 6.747 -14.697 24.589 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.656 -12.873 25.892 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.378 -14.252 26.938 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.455 -16.547 26.052 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.896 -16.846 24.354 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.137 -16.322 25.517 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.511 -13.173 27.460 1.00 0.00 H new ATOM 0 HD12 ILE A 112 9.779 -14.823 26.847 1.00 0.00 H new ATOM 0 HD13 ILE A 112 10.062 -13.423 25.786 1.00 0.00 H new ATOM 1723 N PRO A 113 9.383 -15.342 21.648 1.00 0.00 N ATOM 1724 CA PRO A 113 9.238 -16.121 20.415 1.00 0.00 C ATOM 1725 C PRO A 113 9.016 -17.604 20.689 1.00 0.00 C ATOM 1726 O PRO A 113 9.675 -18.192 21.546 1.00 0.00 O ATOM 1727 CB PRO A 113 10.574 -15.904 19.699 1.00 0.00 C ATOM 1728 CG PRO A 113 11.541 -15.590 20.788 1.00 0.00 C ATOM 1729 CD PRO A 113 10.758 -14.848 21.836 1.00 0.00 C ATOM 0 HA PRO A 113 8.371 -15.806 19.834 1.00 0.00 H new ATOM 0 HB2 PRO A 113 10.876 -16.793 19.146 1.00 0.00 H new ATOM 0 HB3 PRO A 113 10.509 -15.088 18.979 1.00 0.00 H new ATOM 0 HG2 PRO A 113 11.976 -16.501 21.198 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.366 -14.983 20.415 1.00 0.00 H new ATOM 0 HD2 PRO A 113 11.128 -15.060 22.839 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.820 -13.769 21.695 1.00 0.00 H new ATOM 1737 N GLU A 114 8.083 -18.204 19.955 1.00 0.00 N ATOM 1738 CA GLU A 114 7.775 -19.619 20.121 1.00 0.00 C ATOM 1739 C GLU A 114 8.386 -20.445 18.992 1.00 0.00 C ATOM 1740 O GLU A 114 8.363 -20.039 17.831 1.00 0.00 O ATOM 1741 CB GLU A 114 6.261 -19.833 20.162 1.00 0.00 C ATOM 1742 CG GLU A 114 5.528 -18.830 21.038 1.00 0.00 C ATOM 1743 CD GLU A 114 6.002 -18.858 22.478 1.00 0.00 C ATOM 1744 OE1 GLU A 114 6.488 -19.918 22.923 1.00 0.00 O ATOM 1745 OE2 GLU A 114 5.888 -17.817 23.159 1.00 0.00 O ATOM 0 H GLU A 114 7.528 -17.732 19.241 1.00 0.00 H new ATOM 0 HA GLU A 114 8.207 -19.950 21.065 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.866 -19.773 19.148 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.054 -20.840 20.526 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.669 -17.828 20.632 1.00 0.00 H new ATOM 0 HG3 GLU A 114 4.459 -19.039 21.007 1.00 0.00 H new