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= -0.269 X(o=-0.27,f=-0.33) USER MOD Single : A 19 LYS NZ :NH3+ -136:sc= 1.22 (180deg=0.3) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -128:sc=-0.00245 (180deg=-3.86) USER MOD Single : A 26 MET CE :methyl -152:sc= -0.812 (180deg=-2.21!) USER MOD Single : A 27 SER OG : rot 40:sc= 0.509 USER MOD Single : A 29 THR OG1 : rot 117:sc= -0.0866 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS :FLIP no HD1:sc= -0.587 F(o=-1.8,f=-0.59) USER MOD Single : A 48 SER OG : rot 180:sc= -0.101 USER MOD Single : A 59 THR OG1 : rot -126:sc= 1.23 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.265 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 GLN : amide:sc= -0.126 K(o=-0.13,f=-0.67) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0.254 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=-0.08) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0227 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.0257 F(o=-1,f=-0.026) USER MOD Single : A 98 MET CE :methyl 164:sc= -2.29 (180deg=-2.56) USER MOD Single : A 104 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.2) 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 12.256 -20.160 15.558 1.00 0.00 N ATOM 256 CA LYS A 19 11.252 -19.377 16.268 1.00 0.00 C ATOM 257 C LYS A 19 10.507 -18.451 15.312 1.00 0.00 C ATOM 258 O LYS A 19 10.946 -18.226 14.183 1.00 0.00 O ATOM 259 CB LYS A 19 11.908 -18.557 17.381 1.00 0.00 C ATOM 260 CG LYS A 19 11.932 -19.265 18.725 1.00 0.00 C ATOM 261 CD LYS A 19 12.993 -20.352 18.765 1.00 0.00 C ATOM 262 CE LYS A 19 13.794 -20.301 20.056 1.00 0.00 C ATOM 263 NZ LYS A 19 14.970 -21.214 20.015 1.00 0.00 N ATOM 0 HA LYS A 19 10.534 -20.069 16.709 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.930 -18.316 17.089 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.375 -17.612 17.487 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.123 -18.540 19.516 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.954 -19.703 18.924 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.519 -21.329 18.668 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.665 -20.238 17.914 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.133 -19.280 20.233 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.151 -20.574 20.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 15.040 -21.731 20.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.856 -21.892 19.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.836 -20.658 19.867 1.00 0.00 H new ATOM 277 N TYR A 20 9.381 -17.917 15.770 1.00 0.00 N ATOM 278 CA TYR A 20 8.576 -17.015 14.954 1.00 0.00 C ATOM 279 C TYR A 20 7.848 -15.996 15.825 1.00 0.00 C ATOM 280 O TYR A 20 7.509 -16.276 16.975 1.00 0.00 O ATOM 281 CB TYR A 20 7.564 -17.810 14.127 1.00 0.00 C ATOM 282 CG TYR A 20 6.183 -17.857 14.740 1.00 0.00 C ATOM 283 CD1 TYR A 20 5.874 -18.776 15.734 1.00 0.00 C ATOM 284 CD2 TYR A 20 5.188 -16.980 14.326 1.00 0.00 C ATOM 285 CE1 TYR A 20 4.613 -18.823 16.297 1.00 0.00 C ATOM 286 CE2 TYR A 20 3.925 -17.018 14.884 1.00 0.00 C ATOM 287 CZ TYR A 20 3.642 -17.942 15.869 1.00 0.00 C ATOM 288 OH TYR A 20 2.385 -17.984 16.428 1.00 0.00 O ATOM 0 H TYR A 20 9.004 -18.093 16.702 1.00 0.00 H new ATOM 0 HA TYR A 20 9.245 -16.479 14.281 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.496 -17.370 13.132 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.931 -18.829 14.001 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.632 -19.466 16.073 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.406 -16.256 13.555 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.389 -19.546 17.068 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.163 -16.328 14.551 1.00 0.00 H new ATOM 0 HH TYR A 20 1.821 -17.297 16.016 1.00 0.00 H new ATOM 298 N ILE A 21 7.612 -14.813 15.268 1.00 0.00 N ATOM 299 CA ILE A 21 6.923 -13.752 15.992 1.00 0.00 C ATOM 300 C ILE A 21 6.076 -12.904 15.050 1.00 0.00 C ATOM 301 O ILE A 21 5.646 -11.806 15.403 1.00 0.00 O ATOM 302 CB ILE A 21 7.918 -12.838 16.733 1.00 0.00 C ATOM 303 CG1 ILE A 21 8.906 -12.216 15.744 1.00 0.00 C ATOM 304 CG2 ILE A 21 8.658 -13.622 17.807 1.00 0.00 C ATOM 305 CD1 ILE A 21 9.719 -11.085 16.333 1.00 0.00 C ATOM 0 H ILE A 21 7.888 -14.565 14.318 1.00 0.00 H new ATOM 0 HA ILE A 21 6.275 -14.237 16.722 1.00 0.00 H new ATOM 0 HB ILE A 21 7.361 -12.035 17.215 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.583 -12.990 15.384 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.357 -11.845 14.879 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.357 -12.963 18.322 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.941 -14.022 18.524 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.206 -14.443 17.345 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.398 -10.692 15.576 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.050 -10.292 16.668 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.296 -11.455 17.181 1.00 0.00 H new ATOM 317 N GLY A 22 5.838 -13.422 13.849 1.00 0.00 N ATOM 318 CA GLY A 22 5.041 -12.700 12.874 1.00 0.00 C ATOM 319 C GLY A 22 5.493 -11.263 12.706 1.00 0.00 C ATOM 320 O GLY A 22 4.879 -10.344 13.251 1.00 0.00 O ATOM 0 H GLY A 22 6.183 -14.329 13.534 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.098 -13.210 11.913 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.995 -12.715 13.181 1.00 0.00 H new ATOM 324 N ILE A 23 6.569 -11.067 11.952 1.00 0.00 N ATOM 325 CA ILE A 23 7.102 -9.732 11.714 1.00 0.00 C ATOM 326 C ILE A 23 7.788 -9.647 10.355 1.00 0.00 C ATOM 327 O ILE A 23 8.527 -10.551 9.964 1.00 0.00 O ATOM 328 CB ILE A 23 8.106 -9.324 12.809 1.00 0.00 C ATOM 329 CG1 ILE A 23 9.326 -10.247 12.783 1.00 0.00 C ATOM 330 CG2 ILE A 23 7.440 -9.355 14.177 1.00 0.00 C ATOM 331 CD1 ILE A 23 10.564 -9.596 12.206 1.00 0.00 C ATOM 0 H ILE A 23 7.089 -11.816 11.495 1.00 0.00 H new ATOM 0 HA ILE A 23 6.255 -9.046 11.734 1.00 0.00 H new ATOM 0 HB ILE A 23 8.441 -8.305 12.613 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.541 -10.581 13.798 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.087 -11.136 12.199 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.162 -9.064 14.940 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.600 -8.660 14.189 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.080 -10.363 14.384 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.389 -10.308 12.219 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.368 -9.287 11.179 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.828 -8.724 12.803 1.00 0.00 H new ATOM 343 N ARG A 24 7.540 -8.555 9.640 1.00 0.00 N ATOM 344 CA ARG A 24 8.134 -8.352 8.324 1.00 0.00 C ATOM 345 C ARG A 24 9.128 -7.195 8.349 1.00 0.00 C ATOM 346 O ARG A 24 8.791 -6.082 8.753 1.00 0.00 O ATOM 347 CB ARG A 24 7.044 -8.079 7.286 1.00 0.00 C ATOM 348 CG ARG A 24 5.945 -9.129 7.265 1.00 0.00 C ATOM 349 CD ARG A 24 5.116 -9.043 5.993 1.00 0.00 C ATOM 350 NE ARG A 24 4.389 -10.282 5.729 1.00 0.00 N ATOM 351 CZ ARG A 24 3.615 -10.467 4.666 1.00 0.00 C ATOM 352 NH1 ARG A 24 3.469 -9.499 3.771 1.00 0.00 N ATOM 353 NH2 ARG A 24 2.986 -11.622 4.495 1.00 0.00 N ATOM 0 H ARG A 24 6.932 -7.797 9.950 1.00 0.00 H new ATOM 0 HA ARG A 24 8.668 -9.262 8.050 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.599 -7.104 7.486 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.501 -8.024 6.298 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.387 -10.122 7.346 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.298 -8.997 8.132 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.408 -8.218 6.077 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.769 -8.819 5.149 1.00 0.00 H new ATOM 0 HE ARG A 24 4.481 -11.047 6.398 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.952 -8.610 3.898 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.874 -9.644 2.955 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.097 -12.369 5.180 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.392 -11.763 3.678 1.00 0.00 H new ATOM 367 N MET A 25 10.355 -7.467 7.916 1.00 0.00 N ATOM 368 CA MET A 25 11.398 -6.448 7.888 1.00 0.00 C ATOM 369 C MET A 25 12.196 -6.522 6.590 1.00 0.00 C ATOM 370 O MET A 25 12.209 -7.551 5.916 1.00 0.00 O ATOM 371 CB MET A 25 12.336 -6.615 9.086 1.00 0.00 C ATOM 372 CG MET A 25 11.608 -6.860 10.398 1.00 0.00 C ATOM 373 SD MET A 25 12.693 -6.722 11.831 1.00 0.00 S ATOM 374 CE MET A 25 13.656 -8.225 11.672 1.00 0.00 C ATOM 0 H MET A 25 10.651 -8.383 7.580 1.00 0.00 H new ATOM 0 HA MET A 25 10.918 -5.471 7.944 1.00 0.00 H new ATOM 0 HB2 MET A 25 13.012 -7.448 8.894 1.00 0.00 H new ATOM 0 HB3 MET A 25 12.951 -5.721 9.183 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.792 -6.144 10.495 1.00 0.00 H new ATOM 0 HG3 MET A 25 11.160 -7.854 10.381 1.00 0.00 H new ATOM 0 HE1 MET A 25 13.630 -8.775 12.613 1.00 0.00 H new ATOM 0 HE2 MET A 25 13.237 -8.843 10.878 1.00 0.00 H new ATOM 0 HE3 MET A 25 14.688 -7.972 11.428 1.00 0.00 H new ATOM 384 N MET A 26 12.859 -5.423 6.245 1.00 0.00 N ATOM 385 CA MET A 26 13.659 -5.364 5.027 1.00 0.00 C ATOM 386 C MET A 26 15.066 -4.856 5.325 1.00 0.00 C ATOM 387 O MET A 26 15.250 -3.948 6.136 1.00 0.00 O ATOM 388 CB MET A 26 12.986 -4.460 3.993 1.00 0.00 C ATOM 389 CG MET A 26 12.888 -3.007 4.428 1.00 0.00 C ATOM 390 SD MET A 26 13.733 -1.885 3.296 1.00 0.00 S ATOM 391 CE MET A 26 13.053 -0.310 3.811 1.00 0.00 C ATOM 0 H MET A 26 12.858 -4.562 6.791 1.00 0.00 H new ATOM 0 HA MET A 26 13.735 -6.373 4.622 1.00 0.00 H new ATOM 0 HB2 MET A 26 13.543 -4.514 3.058 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.984 -4.838 3.789 1.00 0.00 H new ATOM 0 HG2 MET A 26 11.838 -2.723 4.499 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.315 -2.901 5.425 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.055 0.380 2.967 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.031 -0.452 4.161 1.00 0.00 H new ATOM 0 HE3 MET A 26 13.659 0.102 4.618 1.00 0.00 H new ATOM 401 N SER A 27 16.056 -5.449 4.666 1.00 0.00 N ATOM 402 CA SER A 27 17.447 -5.059 4.863 1.00 0.00 C ATOM 403 C SER A 27 17.618 -3.551 4.699 1.00 0.00 C ATOM 404 O SER A 27 17.525 -3.021 3.591 1.00 0.00 O ATOM 405 CB SER A 27 18.352 -5.796 3.874 1.00 0.00 C ATOM 406 OG SER A 27 17.939 -5.567 2.538 1.00 0.00 O ATOM 0 H SER A 27 15.921 -6.201 3.991 1.00 0.00 H new ATOM 0 HA SER A 27 17.733 -5.332 5.879 1.00 0.00 H new ATOM 0 HB2 SER A 27 19.382 -5.464 4.002 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.333 -6.865 4.086 1.00 0.00 H new ATOM 0 HG SER A 27 17.673 -4.630 2.434 1.00 0.00 H new ATOM 412 N LEU A 28 17.867 -2.866 5.810 1.00 0.00 N ATOM 413 CA LEU A 28 18.050 -1.419 5.791 1.00 0.00 C ATOM 414 C LEU A 28 19.383 -1.048 5.150 1.00 0.00 C ATOM 415 O LEU A 28 20.426 -1.607 5.491 1.00 0.00 O ATOM 416 CB LEU A 28 17.981 -0.858 7.213 1.00 0.00 C ATOM 417 CG LEU A 28 16.947 0.243 7.450 1.00 0.00 C ATOM 418 CD1 LEU A 28 16.937 0.660 8.912 1.00 0.00 C ATOM 419 CD2 LEU A 28 17.228 1.440 6.554 1.00 0.00 C ATOM 0 H LEU A 28 17.947 -3.289 6.735 1.00 0.00 H new ATOM 0 HA LEU A 28 17.248 -0.983 5.196 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.770 -1.680 7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 28 18.964 -0.468 7.477 1.00 0.00 H new ATOM 0 HG LEU A 28 15.962 -0.150 7.199 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.195 1.444 9.062 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.687 -0.200 9.534 1.00 0.00 H new ATOM 0 HD13 LEU A 28 17.922 1.035 9.190 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.482 2.214 6.736 1.00 0.00 H new ATOM 0 HD22 LEU A 28 18.220 1.834 6.773 1.00 0.00 H new ATOM 0 HD23 LEU A 28 17.183 1.131 5.510 1.00 0.00 H new ATOM 431 N THR A 29 19.343 -0.098 4.220 1.00 0.00 N ATOM 432 CA THR A 29 20.547 0.349 3.532 1.00 0.00 C ATOM 433 C THR A 29 20.867 1.800 3.872 1.00 0.00 C ATOM 434 O THR A 29 19.970 2.595 4.152 1.00 0.00 O ATOM 435 CB THR A 29 20.406 0.210 2.005 1.00 0.00 C ATOM 436 OG1 THR A 29 19.514 1.212 1.502 1.00 0.00 O ATOM 437 CG2 THR A 29 19.887 -1.170 1.633 1.00 0.00 C ATOM 0 H THR A 29 18.489 0.376 3.926 1.00 0.00 H new ATOM 0 HA THR A 29 21.362 -0.290 3.873 1.00 0.00 H new ATOM 0 HB THR A 29 21.391 0.343 1.558 1.00 0.00 H new ATOM 0 HG1 THR A 29 20.000 1.807 0.894 1.00 0.00 H new ATOM 0 HG21 THR A 29 19.796 -1.244 0.549 1.00 0.00 H new ATOM 0 HG22 THR A 29 20.582 -1.929 1.992 1.00 0.00 H new ATOM 0 HG23 THR A 29 18.910 -1.327 2.091 1.00 0.00 H new ATOM 445 N SER A 30 22.152 2.141 3.843 1.00 0.00 N ATOM 446 CA SER A 30 22.590 3.497 4.151 1.00 0.00 C ATOM 447 C SER A 30 21.854 4.515 3.286 1.00 0.00 C ATOM 448 O SER A 30 21.658 5.662 3.689 1.00 0.00 O ATOM 449 CB SER A 30 24.100 3.628 3.940 1.00 0.00 C ATOM 450 OG SER A 30 24.440 4.923 3.476 1.00 0.00 O ATOM 0 H SER A 30 22.907 1.497 3.609 1.00 0.00 H new ATOM 0 HA SER A 30 22.358 3.699 5.197 1.00 0.00 H new ATOM 0 HB2 SER A 30 24.620 3.426 4.876 1.00 0.00 H new ATOM 0 HB3 SER A 30 24.436 2.881 3.221 1.00 0.00 H new ATOM 0 HG SER A 30 25.410 4.981 3.351 1.00 0.00 H new ATOM 456 N SER A 31 21.450 4.088 2.094 1.00 0.00 N ATOM 457 CA SER A 31 20.739 4.962 1.169 1.00 0.00 C ATOM 458 C SER A 31 19.244 4.976 1.475 1.00 0.00 C ATOM 459 O SER A 31 18.558 5.971 1.238 1.00 0.00 O ATOM 460 CB SER A 31 20.972 4.511 -0.274 1.00 0.00 C ATOM 461 OG SER A 31 22.101 5.159 -0.834 1.00 0.00 O ATOM 0 H SER A 31 21.603 3.141 1.746 1.00 0.00 H new ATOM 0 HA SER A 31 21.127 5.973 1.293 1.00 0.00 H new ATOM 0 HB2 SER A 31 21.117 3.431 -0.302 1.00 0.00 H new ATOM 0 HB3 SER A 31 20.089 4.729 -0.874 1.00 0.00 H new ATOM 0 HG SER A 31 22.230 4.853 -1.756 1.00 0.00 H new ATOM 467 N LYS A 32 18.744 3.863 2.001 1.00 0.00 N ATOM 468 CA LYS A 32 17.331 3.744 2.341 1.00 0.00 C ATOM 469 C LYS A 32 17.013 4.510 3.621 1.00 0.00 C ATOM 470 O LYS A 32 16.008 5.215 3.700 1.00 0.00 O ATOM 471 CB LYS A 32 16.948 2.272 2.506 1.00 0.00 C ATOM 472 CG LYS A 32 15.464 2.053 2.750 1.00 0.00 C ATOM 473 CD LYS A 32 14.642 2.375 1.514 1.00 0.00 C ATOM 474 CE LYS A 32 14.425 1.140 0.652 1.00 0.00 C ATOM 475 NZ LYS A 32 14.365 1.478 -0.797 1.00 0.00 N ATOM 0 H LYS A 32 19.297 3.030 2.201 1.00 0.00 H new ATOM 0 HA LYS A 32 16.749 4.176 1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.245 1.725 1.611 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.511 1.850 3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 32 15.292 1.017 3.043 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.135 2.678 3.580 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.678 2.785 1.814 1.00 0.00 H new ATOM 0 HD3 LYS A 32 15.147 3.144 0.930 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.233 0.429 0.826 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.499 0.648 0.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.216 0.610 -1.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.578 2.136 -0.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.259 1.924 -1.087 1.00 0.00 H new ATOM 489 N ALA A 33 17.877 4.368 4.621 1.00 0.00 N ATOM 490 CA ALA A 33 17.690 5.049 5.895 1.00 0.00 C ATOM 491 C ALA A 33 17.780 6.562 5.728 1.00 0.00 C ATOM 492 O ALA A 33 16.904 7.301 6.176 1.00 0.00 O ATOM 493 CB ALA A 33 18.717 4.566 6.908 1.00 0.00 C ATOM 0 H ALA A 33 18.714 3.787 4.573 1.00 0.00 H new ATOM 0 HA ALA A 33 16.692 4.809 6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 33 18.565 5.084 7.855 1.00 0.00 H new ATOM 0 HB2 ALA A 33 18.603 3.493 7.059 1.00 0.00 H new ATOM 0 HB3 ALA A 33 19.720 4.775 6.537 1.00 0.00 H new ATOM 499 N LYS A 34 18.847 7.018 5.080 1.00 0.00 N ATOM 500 CA LYS A 34 19.054 8.443 4.852 1.00 0.00 C ATOM 501 C LYS A 34 17.821 9.076 4.214 1.00 0.00 C ATOM 502 O LYS A 34 17.531 10.251 4.437 1.00 0.00 O ATOM 503 CB LYS A 34 20.275 8.666 3.957 1.00 0.00 C ATOM 504 CG LYS A 34 21.476 9.230 4.697 1.00 0.00 C ATOM 505 CD LYS A 34 22.758 8.513 4.307 1.00 0.00 C ATOM 506 CE LYS A 34 23.855 9.497 3.933 1.00 0.00 C ATOM 507 NZ LYS A 34 24.684 9.878 5.111 1.00 0.00 N ATOM 0 H LYS A 34 19.582 6.420 4.703 1.00 0.00 H new ATOM 0 HA LYS A 34 19.228 8.918 5.817 1.00 0.00 H new ATOM 0 HB2 LYS A 34 20.555 7.719 3.496 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.004 9.346 3.149 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.572 10.294 4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.319 9.138 5.772 1.00 0.00 H new ATOM 0 HD2 LYS A 34 23.094 7.890 5.136 1.00 0.00 H new ATOM 0 HD3 LYS A 34 22.563 7.847 3.466 1.00 0.00 H new ATOM 0 HE2 LYS A 34 24.493 9.056 3.167 1.00 0.00 H new ATOM 0 HE3 LYS A 34 23.408 10.391 3.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 25.420 10.550 4.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 24.080 10.322 5.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 25.131 9.028 5.510 1.00 0.00 H new ATOM 521 N GLU A 35 17.099 8.289 3.422 1.00 0.00 N ATOM 522 CA GLU A 35 15.898 8.774 2.754 1.00 0.00 C ATOM 523 C GLU A 35 14.661 8.533 3.615 1.00 0.00 C ATOM 524 O GLU A 35 13.663 9.245 3.501 1.00 0.00 O ATOM 525 CB GLU A 35 15.729 8.087 1.397 1.00 0.00 C ATOM 526 CG GLU A 35 16.753 8.523 0.363 1.00 0.00 C ATOM 527 CD GLU A 35 16.512 9.934 -0.137 1.00 0.00 C ATOM 528 OE1 GLU A 35 15.631 10.115 -1.003 1.00 0.00 O ATOM 529 OE2 GLU A 35 17.206 10.858 0.338 1.00 0.00 O ATOM 0 H GLU A 35 17.325 7.314 3.228 1.00 0.00 H new ATOM 0 HA GLU A 35 16.009 9.847 2.599 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.800 7.008 1.534 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.729 8.295 1.016 1.00 0.00 H new ATOM 0 HG2 GLU A 35 17.751 8.461 0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 35 16.728 7.833 -0.481 1.00 0.00 H new ATOM 536 N LEU A 36 14.735 7.525 4.477 1.00 0.00 N ATOM 537 CA LEU A 36 13.622 7.189 5.358 1.00 0.00 C ATOM 538 C LEU A 36 13.353 8.316 6.350 1.00 0.00 C ATOM 539 O LEU A 36 12.211 8.551 6.745 1.00 0.00 O ATOM 540 CB LEU A 36 13.917 5.890 6.111 1.00 0.00 C ATOM 541 CG LEU A 36 13.435 4.602 5.443 1.00 0.00 C ATOM 542 CD1 LEU A 36 14.077 3.389 6.098 1.00 0.00 C ATOM 543 CD2 LEU A 36 11.918 4.505 5.506 1.00 0.00 C ATOM 0 H LEU A 36 15.554 6.926 4.585 1.00 0.00 H new ATOM 0 HA LEU A 36 12.732 7.052 4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 36 14.994 5.817 6.260 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.462 5.955 7.099 1.00 0.00 H new ATOM 0 HG LEU A 36 13.734 4.624 4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.722 2.481 5.610 1.00 0.00 H new ATOM 0 HD12 LEU A 36 15.161 3.454 6.000 1.00 0.00 H new ATOM 0 HD13 LEU A 36 13.809 3.361 7.154 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.592 3.582 5.026 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.596 4.505 6.547 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.477 5.358 4.990 1.00 0.00 H new ATOM 555 N LYS A 37 14.413 9.012 6.748 1.00 0.00 N ATOM 556 CA LYS A 37 14.292 10.117 7.692 1.00 0.00 C ATOM 557 C LYS A 37 13.799 11.379 6.991 1.00 0.00 C ATOM 558 O LYS A 37 12.813 11.987 7.408 1.00 0.00 O ATOM 559 CB LYS A 37 15.639 10.388 8.366 1.00 0.00 C ATOM 560 CG LYS A 37 15.514 10.870 9.801 1.00 0.00 C ATOM 561 CD LYS A 37 16.847 10.807 10.528 1.00 0.00 C ATOM 562 CE LYS A 37 16.888 11.774 11.701 1.00 0.00 C ATOM 563 NZ LYS A 37 18.216 12.436 11.828 1.00 0.00 N ATOM 0 H LYS A 37 15.365 8.830 6.431 1.00 0.00 H new ATOM 0 HA LYS A 37 13.563 9.836 8.452 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.235 9.475 8.349 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.182 11.135 7.787 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.141 11.894 9.811 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.781 10.259 10.329 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.020 9.792 10.886 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.653 11.042 9.833 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.115 12.532 11.574 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.660 11.238 12.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.203 13.087 12.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.951 11.715 11.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.423 12.969 10.959 1.00 0.00 H new ATOM 577 N ASP A 38 14.490 11.766 5.924 1.00 0.00 N ATOM 578 CA ASP A 38 14.121 12.954 5.164 1.00 0.00 C ATOM 579 C ASP A 38 12.675 12.866 4.686 1.00 0.00 C ATOM 580 O ASP A 38 12.021 13.885 4.462 1.00 0.00 O ATOM 581 CB ASP A 38 15.056 13.131 3.967 1.00 0.00 C ATOM 582 CG ASP A 38 15.060 14.553 3.440 1.00 0.00 C ATOM 583 OD1 ASP A 38 15.873 15.365 3.929 1.00 0.00 O ATOM 584 OD2 ASP A 38 14.251 14.853 2.538 1.00 0.00 O ATOM 0 H ASP A 38 15.309 11.274 5.566 1.00 0.00 H new ATOM 0 HA ASP A 38 14.216 13.819 5.821 1.00 0.00 H new ATOM 0 HB2 ASP A 38 16.069 12.851 4.257 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.753 12.452 3.170 1.00 0.00 H new ATOM 589 N ARG A 39 12.182 11.641 4.530 1.00 0.00 N ATOM 590 CA ARG A 39 10.814 11.420 4.076 1.00 0.00 C ATOM 591 C ARG A 39 9.871 11.238 5.262 1.00 0.00 C ATOM 592 O ARG A 39 8.757 11.764 5.269 1.00 0.00 O ATOM 593 CB ARG A 39 10.749 10.192 3.166 1.00 0.00 C ATOM 594 CG ARG A 39 11.225 10.460 1.748 1.00 0.00 C ATOM 595 CD ARG A 39 10.847 9.324 0.809 1.00 0.00 C ATOM 596 NE ARG A 39 9.803 9.718 -0.133 1.00 0.00 N ATOM 597 CZ ARG A 39 9.481 9.011 -1.210 1.00 0.00 C ATOM 598 NH1 ARG A 39 10.118 7.880 -1.480 1.00 0.00 N ATOM 599 NH2 ARG A 39 8.519 9.434 -2.020 1.00 0.00 N ATOM 0 H ARG A 39 12.709 10.787 4.711 1.00 0.00 H new ATOM 0 HA ARG A 39 10.497 12.298 3.513 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.355 9.396 3.600 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.722 9.828 3.133 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.790 11.392 1.387 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.307 10.591 1.745 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.730 9.000 0.257 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.505 8.469 1.393 1.00 0.00 H new ATOM 0 HE ARG A 39 9.293 10.583 0.046 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.858 7.551 -0.860 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.868 7.339 -2.308 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.026 10.303 -1.816 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.273 8.890 -2.847 1.00 0.00 H new ATOM 613 N HIS A 40 10.324 10.490 6.263 1.00 0.00 N ATOM 614 CA HIS A 40 9.521 10.239 7.454 1.00 0.00 C ATOM 615 C HIS A 40 10.116 10.943 8.670 1.00 0.00 C ATOM 616 O HIS A 40 11.027 10.425 9.315 1.00 0.00 O ATOM 617 CB HIS A 40 9.420 8.737 7.719 1.00 0.00 C ATOM 618 CG HIS A 40 9.089 7.934 6.499 1.00 0.00 C ATOM 619 ND1 HIS A 40 9.852 7.099 5.756 1.00 0.00 N flip ATOM 620 CD2 HIS A 40 7.843 7.939 5.909 1.00 0.00 C flip ATOM 621 CE1 HIS A 40 9.061 6.618 4.742 1.00 0.00 C flip ATOM 622 NE2 HIS A 40 7.853 7.140 4.857 1.00 0.00 N flip ATOM 0 H HIS A 40 11.243 10.047 6.273 1.00 0.00 H new ATOM 0 HA HIS A 40 8.522 10.638 7.279 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.366 8.385 8.130 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.657 8.561 8.478 1.00 0.00 H new ATOM 0 HD2 HIS A 40 6.992 8.507 6.253 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.375 5.926 3.975 1.00 0.00 H new ATOM 0 HE2 HIS A 40 7.063 6.957 4.239 1.00 0.00 H new ATOM 630 N ARG A 41 9.595 12.127 8.975 1.00 0.00 N ATOM 631 CA ARG A 41 10.077 12.903 10.112 1.00 0.00 C ATOM 632 C ARG A 41 9.964 12.101 11.405 1.00 0.00 C ATOM 633 O ARG A 41 10.702 12.340 12.361 1.00 0.00 O ATOM 634 CB ARG A 41 9.287 14.207 10.238 1.00 0.00 C ATOM 635 CG ARG A 41 9.884 15.187 11.234 1.00 0.00 C ATOM 636 CD ARG A 41 8.809 16.041 11.888 1.00 0.00 C ATOM 637 NE ARG A 41 8.951 16.081 13.341 1.00 0.00 N ATOM 638 CZ ARG A 41 8.219 16.860 14.130 1.00 0.00 C ATOM 639 NH1 ARG A 41 7.299 17.660 13.608 1.00 0.00 N ATOM 640 NH2 ARG A 41 8.407 16.840 15.443 1.00 0.00 N ATOM 0 H ARG A 41 8.840 12.570 8.451 1.00 0.00 H new ATOM 0 HA ARG A 41 11.128 13.137 9.941 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.232 14.685 9.260 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.265 13.975 10.537 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.432 14.640 12.001 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.603 15.830 10.727 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.860 17.055 11.491 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.826 15.647 11.630 1.00 0.00 H new ATOM 0 HE ARG A 41 9.650 15.478 13.774 1.00 0.00 H new ATOM 0 HH11 ARG A 41 7.152 17.678 12.599 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.738 18.257 14.216 1.00 0.00 H new ATOM 0 HH21 ARG A 41 9.114 16.226 15.848 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.845 17.438 16.048 1.00 0.00 H new ATOM 654 N ASP A 42 9.037 11.150 11.426 1.00 0.00 N ATOM 655 CA ASP A 42 8.828 10.312 12.601 1.00 0.00 C ATOM 656 C ASP A 42 10.056 9.450 12.878 1.00 0.00 C ATOM 657 O ASP A 42 10.357 9.132 14.029 1.00 0.00 O ATOM 658 CB ASP A 42 7.599 9.423 12.407 1.00 0.00 C ATOM 659 CG ASP A 42 6.480 9.763 13.372 1.00 0.00 C ATOM 660 OD1 ASP A 42 6.773 9.980 14.567 1.00 0.00 O ATOM 661 OD2 ASP A 42 5.312 9.813 12.933 1.00 0.00 O ATOM 0 H ASP A 42 8.418 10.940 10.643 1.00 0.00 H new ATOM 0 HA ASP A 42 8.663 10.965 13.458 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.237 9.527 11.384 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.885 8.379 12.540 1.00 0.00 H new ATOM 666 N PHE A 43 10.761 9.073 11.817 1.00 0.00 N ATOM 667 CA PHE A 43 11.955 8.246 11.946 1.00 0.00 C ATOM 668 C PHE A 43 12.927 8.849 12.956 1.00 0.00 C ATOM 669 O PHE A 43 13.135 10.061 13.008 1.00 0.00 O ATOM 670 CB PHE A 43 12.643 8.092 10.588 1.00 0.00 C ATOM 671 CG PHE A 43 13.102 6.690 10.305 1.00 0.00 C ATOM 672 CD1 PHE A 43 12.191 5.708 9.950 1.00 0.00 C ATOM 673 CD2 PHE A 43 14.443 6.354 10.392 1.00 0.00 C ATOM 674 CE1 PHE A 43 12.610 4.417 9.690 1.00 0.00 C ATOM 675 CE2 PHE A 43 14.868 5.065 10.133 1.00 0.00 C ATOM 676 CZ PHE A 43 13.951 4.095 9.780 1.00 0.00 C ATOM 0 H PHE A 43 10.526 9.327 10.858 1.00 0.00 H new ATOM 0 HA PHE A 43 11.650 7.263 12.304 1.00 0.00 H new ATOM 0 HB2 PHE A 43 11.955 8.406 9.803 1.00 0.00 H new ATOM 0 HB3 PHE A 43 13.501 8.762 10.546 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.142 5.954 9.876 1.00 0.00 H new ATOM 0 HD2 PHE A 43 15.165 7.109 10.666 1.00 0.00 H new ATOM 0 HE1 PHE A 43 11.890 3.660 9.417 1.00 0.00 H new ATOM 0 HE2 PHE A 43 15.916 4.816 10.207 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.281 3.087 9.575 1.00 0.00 H new ATOM 686 N PRO A 44 13.537 7.983 13.779 1.00 0.00 N ATOM 687 CA PRO A 44 14.497 8.405 14.803 1.00 0.00 C ATOM 688 C PRO A 44 15.805 8.904 14.200 1.00 0.00 C ATOM 689 O PRO A 44 15.909 9.093 12.987 1.00 0.00 O ATOM 690 CB PRO A 44 14.734 7.129 15.615 1.00 0.00 C ATOM 691 CG PRO A 44 14.431 6.018 14.670 1.00 0.00 C ATOM 692 CD PRO A 44 13.336 6.524 13.773 1.00 0.00 C ATOM 0 HA PRO A 44 14.121 9.239 15.395 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.761 7.074 15.975 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.087 7.091 16.491 1.00 0.00 H new ATOM 0 HG2 PRO A 44 15.314 5.746 14.092 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.114 5.124 15.207 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.417 6.111 12.767 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.350 6.253 14.150 1.00 0.00 H new ATOM 700 N ASP A 45 16.802 9.115 15.052 1.00 0.00 N ATOM 701 CA ASP A 45 18.105 9.591 14.603 1.00 0.00 C ATOM 702 C ASP A 45 19.055 8.422 14.359 1.00 0.00 C ATOM 703 O ASP A 45 20.224 8.469 14.742 1.00 0.00 O ATOM 704 CB ASP A 45 18.707 10.546 15.634 1.00 0.00 C ATOM 705 CG ASP A 45 19.681 11.528 15.015 1.00 0.00 C ATOM 706 OD1 ASP A 45 20.427 11.126 14.097 1.00 0.00 O ATOM 707 OD2 ASP A 45 19.698 12.700 15.446 1.00 0.00 O ATOM 0 H ASP A 45 16.733 8.964 16.058 1.00 0.00 H new ATOM 0 HA ASP A 45 17.965 10.126 13.663 1.00 0.00 H new ATOM 0 HB2 ASP A 45 17.905 11.096 16.127 1.00 0.00 H new ATOM 0 HB3 ASP A 45 19.218 9.969 16.404 1.00 0.00 H new ATOM 712 N VAL A 46 18.545 7.375 13.720 1.00 0.00 N ATOM 713 CA VAL A 46 19.348 6.194 13.424 1.00 0.00 C ATOM 714 C VAL A 46 19.213 5.790 11.960 1.00 0.00 C ATOM 715 O VAL A 46 18.271 6.194 11.279 1.00 0.00 O ATOM 716 CB VAL A 46 18.943 5.003 14.313 1.00 0.00 C ATOM 717 CG1 VAL A 46 18.991 5.393 15.783 1.00 0.00 C ATOM 718 CG2 VAL A 46 17.559 4.500 13.932 1.00 0.00 C ATOM 0 H VAL A 46 17.579 7.320 13.397 1.00 0.00 H new ATOM 0 HA VAL A 46 20.385 6.457 13.631 1.00 0.00 H new ATOM 0 HB VAL A 46 19.656 4.194 14.153 1.00 0.00 H new ATOM 0 HG11 VAL A 46 18.702 4.539 16.396 1.00 0.00 H new ATOM 0 HG12 VAL A 46 20.003 5.701 16.045 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.302 6.219 15.963 1.00 0.00 H new ATOM 0 HG21 VAL A 46 17.289 3.659 14.570 1.00 0.00 H new ATOM 0 HG22 VAL A 46 16.832 5.302 14.062 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.563 4.179 12.890 1.00 0.00 H new ATOM 728 N ILE A 47 20.161 4.990 11.484 1.00 0.00 N ATOM 729 CA ILE A 47 20.147 4.530 10.101 1.00 0.00 C ATOM 730 C ILE A 47 20.858 3.188 9.961 1.00 0.00 C ATOM 731 O ILE A 47 21.423 2.880 8.911 1.00 0.00 O ATOM 732 CB ILE A 47 20.813 5.552 9.161 1.00 0.00 C ATOM 733 CG1 ILE A 47 22.160 6.001 9.732 1.00 0.00 C ATOM 734 CG2 ILE A 47 19.898 6.748 8.944 1.00 0.00 C ATOM 735 CD1 ILE A 47 23.112 6.536 8.686 1.00 0.00 C ATOM 0 H ILE A 47 20.948 4.647 12.035 1.00 0.00 H new ATOM 0 HA ILE A 47 19.101 4.416 9.817 1.00 0.00 H new ATOM 0 HB ILE A 47 20.989 5.075 8.197 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.988 6.772 10.483 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.629 5.159 10.241 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.383 7.461 8.277 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.961 6.413 8.498 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.693 7.228 9.901 1.00 0.00 H new ATOM 0 HD11 ILE A 47 24.046 6.835 9.163 1.00 0.00 H new ATOM 0 HD12 ILE A 47 23.314 5.760 7.947 1.00 0.00 H new ATOM 0 HD13 ILE A 47 22.664 7.399 8.193 1.00 0.00 H new ATOM 747 N SER A 48 20.825 2.393 11.025 1.00 0.00 N ATOM 748 CA SER A 48 21.468 1.084 11.022 1.00 0.00 C ATOM 749 C SER A 48 20.756 0.127 11.973 1.00 0.00 C ATOM 750 O SER A 48 20.736 0.338 13.185 1.00 0.00 O ATOM 751 CB SER A 48 22.939 1.215 11.419 1.00 0.00 C ATOM 752 OG SER A 48 23.601 2.176 10.615 1.00 0.00 O ATOM 0 H SER A 48 20.360 2.632 11.901 1.00 0.00 H new ATOM 0 HA SER A 48 21.406 0.678 10.012 1.00 0.00 H new ATOM 0 HB2 SER A 48 23.012 1.502 12.468 1.00 0.00 H new ATOM 0 HB3 SER A 48 23.434 0.249 11.318 1.00 0.00 H new ATOM 0 HG SER A 48 24.539 2.242 10.890 1.00 0.00 H new ATOM 758 N GLY A 49 20.172 -0.929 11.413 1.00 0.00 N ATOM 759 CA GLY A 49 19.466 -1.903 12.224 1.00 0.00 C ATOM 760 C GLY A 49 18.422 -2.668 11.435 1.00 0.00 C ATOM 761 O GLY A 49 18.628 -2.983 10.264 1.00 0.00 O ATOM 0 H GLY A 49 20.176 -1.127 10.412 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.183 -2.606 12.648 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.985 -1.395 13.060 1.00 0.00 H new ATOM 765 N ALA A 50 17.299 -2.968 12.079 1.00 0.00 N ATOM 766 CA ALA A 50 16.219 -3.700 11.429 1.00 0.00 C ATOM 767 C ALA A 50 14.970 -2.835 11.299 1.00 0.00 C ATOM 768 O ALA A 50 14.397 -2.401 12.298 1.00 0.00 O ATOM 769 CB ALA A 50 15.903 -4.972 12.203 1.00 0.00 C ATOM 0 H ALA A 50 17.113 -2.716 13.050 1.00 0.00 H new ATOM 0 HA ALA A 50 16.549 -3.970 10.426 1.00 0.00 H new ATOM 0 HB1 ALA A 50 15.095 -5.509 11.706 1.00 0.00 H new ATOM 0 HB2 ALA A 50 16.790 -5.605 12.240 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.598 -4.714 13.217 1.00 0.00 H new ATOM 775 N TYR A 51 14.554 -2.587 10.062 1.00 0.00 N ATOM 776 CA TYR A 51 13.375 -1.771 9.801 1.00 0.00 C ATOM 777 C TYR A 51 12.123 -2.637 9.706 1.00 0.00 C ATOM 778 O TYR A 51 12.017 -3.501 8.836 1.00 0.00 O ATOM 779 CB TYR A 51 13.557 -0.974 8.508 1.00 0.00 C ATOM 780 CG TYR A 51 12.304 -0.257 8.057 1.00 0.00 C ATOM 781 CD1 TYR A 51 11.869 0.895 8.702 1.00 0.00 C ATOM 782 CD2 TYR A 51 11.555 -0.731 6.988 1.00 0.00 C ATOM 783 CE1 TYR A 51 10.725 1.553 8.295 1.00 0.00 C ATOM 784 CE2 TYR A 51 10.410 -0.079 6.573 1.00 0.00 C ATOM 785 CZ TYR A 51 9.999 1.063 7.229 1.00 0.00 C ATOM 786 OH TYR A 51 8.859 1.715 6.820 1.00 0.00 O ATOM 0 H TYR A 51 15.016 -2.940 9.224 1.00 0.00 H new ATOM 0 HA TYR A 51 13.253 -1.078 10.633 1.00 0.00 H new ATOM 0 HB2 TYR A 51 14.353 -0.243 8.651 1.00 0.00 H new ATOM 0 HB3 TYR A 51 13.883 -1.650 7.717 1.00 0.00 H new ATOM 0 HD1 TYR A 51 12.436 1.282 9.536 1.00 0.00 H new ATOM 0 HD2 TYR A 51 11.873 -1.625 6.472 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.401 2.446 8.808 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.840 -0.461 5.739 1.00 0.00 H new ATOM 0 HH TYR A 51 8.467 1.241 6.057 1.00 0.00 H new ATOM 796 N ILE A 52 11.176 -2.397 10.607 1.00 0.00 N ATOM 797 CA ILE A 52 9.930 -3.153 10.625 1.00 0.00 C ATOM 798 C ILE A 52 8.914 -2.560 9.655 1.00 0.00 C ATOM 799 O ILE A 52 8.495 -1.412 9.804 1.00 0.00 O ATOM 800 CB ILE A 52 9.314 -3.190 12.036 1.00 0.00 C ATOM 801 CG1 ILE A 52 10.295 -3.819 13.028 1.00 0.00 C ATOM 802 CG2 ILE A 52 8.002 -3.959 12.021 1.00 0.00 C ATOM 803 CD1 ILE A 52 9.769 -3.878 14.445 1.00 0.00 C ATOM 0 H ILE A 52 11.248 -1.685 11.334 1.00 0.00 H new ATOM 0 HA ILE A 52 10.173 -4.170 10.317 1.00 0.00 H new ATOM 0 HB ILE A 52 9.110 -2.168 12.354 1.00 0.00 H new ATOM 0 HG12 ILE A 52 10.536 -4.829 12.697 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.224 -3.250 13.018 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.579 -3.976 13.025 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.303 -3.472 11.341 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.183 -4.980 11.686 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.517 -4.336 15.092 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.554 -2.869 14.796 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.856 -4.473 14.470 1.00 0.00 H new ATOM 815 N ILE A 53 8.520 -3.352 8.663 1.00 0.00 N ATOM 816 CA ILE A 53 7.550 -2.906 7.670 1.00 0.00 C ATOM 817 C ILE A 53 6.125 -3.202 8.123 1.00 0.00 C ATOM 818 O ILE A 53 5.182 -2.522 7.719 1.00 0.00 O ATOM 819 CB ILE A 53 7.793 -3.577 6.305 1.00 0.00 C ATOM 820 CG1 ILE A 53 9.271 -3.481 5.921 1.00 0.00 C ATOM 821 CG2 ILE A 53 6.920 -2.936 5.237 1.00 0.00 C ATOM 822 CD1 ILE A 53 9.605 -4.184 4.623 1.00 0.00 C ATOM 0 H ILE A 53 8.857 -4.305 8.526 1.00 0.00 H new ATOM 0 HA ILE A 53 7.679 -1.829 7.564 1.00 0.00 H new ATOM 0 HB ILE A 53 7.525 -4.631 6.382 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.549 -2.430 5.838 1.00 0.00 H new ATOM 0 HG13 ILE A 53 9.875 -3.908 6.722 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.103 -3.421 4.278 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.870 -3.051 5.507 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.160 -1.876 5.159 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.669 -4.075 4.413 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.359 -5.242 4.709 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.028 -3.742 3.811 1.00 0.00 H new ATOM 834 N GLU A 54 5.976 -4.220 8.965 1.00 0.00 N ATOM 835 CA GLU A 54 4.665 -4.605 9.474 1.00 0.00 C ATOM 836 C GLU A 54 4.785 -5.744 10.482 1.00 0.00 C ATOM 837 O GLU A 54 5.577 -6.668 10.299 1.00 0.00 O ATOM 838 CB GLU A 54 3.749 -5.023 8.322 1.00 0.00 C ATOM 839 CG GLU A 54 2.403 -5.559 8.778 1.00 0.00 C ATOM 840 CD GLU A 54 1.268 -5.141 7.864 1.00 0.00 C ATOM 841 OE1 GLU A 54 1.114 -5.759 6.789 1.00 0.00 O ATOM 842 OE2 GLU A 54 0.534 -4.197 8.222 1.00 0.00 O ATOM 0 H GLU A 54 6.747 -4.793 9.309 1.00 0.00 H new ATOM 0 HA GLU A 54 4.232 -3.741 9.978 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.587 -4.166 7.669 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.252 -5.786 7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.446 -6.647 8.823 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.199 -5.206 9.789 1.00 0.00 H new ATOM 849 N VAL A 55 3.994 -5.669 11.547 1.00 0.00 N ATOM 850 CA VAL A 55 4.010 -6.693 12.585 1.00 0.00 C ATOM 851 C VAL A 55 2.698 -7.470 12.612 1.00 0.00 C ATOM 852 O VAL A 55 1.673 -6.960 13.066 1.00 0.00 O ATOM 853 CB VAL A 55 4.259 -6.079 13.975 1.00 0.00 C ATOM 854 CG1 VAL A 55 3.320 -4.908 14.218 1.00 0.00 C ATOM 855 CG2 VAL A 55 4.100 -7.134 15.060 1.00 0.00 C ATOM 0 H VAL A 55 3.334 -4.910 11.714 1.00 0.00 H new ATOM 0 HA VAL A 55 4.827 -7.374 12.345 1.00 0.00 H new ATOM 0 HB VAL A 55 5.283 -5.706 14.010 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.511 -4.487 15.205 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.488 -4.144 13.459 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.287 -5.252 14.164 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.280 -6.682 16.036 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.089 -7.539 15.028 1.00 0.00 H new ATOM 0 HG23 VAL A 55 4.818 -7.937 14.894 1.00 0.00 H new ATOM 865 N ILE A 56 2.738 -8.705 12.123 1.00 0.00 N ATOM 866 CA ILE A 56 1.552 -9.552 12.093 1.00 0.00 C ATOM 867 C ILE A 56 0.871 -9.592 13.457 1.00 0.00 C ATOM 868 O ILE A 56 1.513 -9.747 14.496 1.00 0.00 O ATOM 869 CB ILE A 56 1.899 -10.990 11.663 1.00 0.00 C ATOM 870 CG1 ILE A 56 2.602 -10.983 10.304 1.00 0.00 C ATOM 871 CG2 ILE A 56 0.641 -11.844 11.610 1.00 0.00 C ATOM 872 CD1 ILE A 56 1.814 -10.280 9.220 1.00 0.00 C ATOM 0 H ILE A 56 3.578 -9.141 11.743 1.00 0.00 H new ATOM 0 HA ILE A 56 0.871 -9.117 11.362 1.00 0.00 H new ATOM 0 HB ILE A 56 2.577 -11.421 12.400 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.573 -10.499 10.409 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.791 -12.011 9.996 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.902 -12.857 11.305 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.177 -11.870 12.596 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.058 -11.417 10.891 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.372 -10.314 8.284 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.853 -10.778 9.087 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.648 -9.241 9.506 1.00 0.00 H new ATOM 884 N PRO A 57 -0.463 -9.452 13.456 1.00 0.00 N ATOM 885 CA PRO A 57 -1.262 -9.471 14.685 1.00 0.00 C ATOM 886 C PRO A 57 -1.310 -10.855 15.323 1.00 0.00 C ATOM 887 O PRO A 57 -0.987 -11.856 14.683 1.00 0.00 O ATOM 888 CB PRO A 57 -2.656 -9.053 14.208 1.00 0.00 C ATOM 889 CG PRO A 57 -2.696 -9.439 12.770 1.00 0.00 C ATOM 890 CD PRO A 57 -1.294 -9.264 12.255 1.00 0.00 C ATOM 0 HA PRO A 57 -0.846 -8.818 15.452 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.437 -9.559 14.776 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.813 -7.982 14.335 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.029 -10.470 12.652 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.396 -8.812 12.217 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.055 -9.995 11.483 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.148 -8.277 11.816 1.00 0.00 H new ATOM 898 N ASP A 58 -1.717 -10.904 16.587 1.00 0.00 N ATOM 899 CA ASP A 58 -1.809 -12.167 17.311 1.00 0.00 C ATOM 900 C ASP A 58 -0.431 -12.802 17.474 1.00 0.00 C ATOM 901 O ASP A 58 -0.306 -14.023 17.569 1.00 0.00 O ATOM 902 CB ASP A 58 -2.746 -13.131 16.582 1.00 0.00 C ATOM 903 CG ASP A 58 -3.243 -14.246 17.481 1.00 0.00 C ATOM 904 OD1 ASP A 58 -3.029 -14.158 18.708 1.00 0.00 O ATOM 905 OD2 ASP A 58 -3.846 -15.206 16.957 1.00 0.00 O ATOM 0 H ASP A 58 -1.988 -10.085 17.131 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.213 -11.960 18.302 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.599 -12.577 16.190 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.225 -13.562 15.727 1.00 0.00 H new ATOM 910 N THR A 59 0.601 -11.964 17.504 1.00 0.00 N ATOM 911 CA THR A 59 1.969 -12.443 17.653 1.00 0.00 C ATOM 912 C THR A 59 2.606 -11.903 18.928 1.00 0.00 C ATOM 913 O THR A 59 2.201 -10.870 19.463 1.00 0.00 O ATOM 914 CB THR A 59 2.840 -12.040 16.448 1.00 0.00 C ATOM 915 OG1 THR A 59 2.974 -10.616 16.395 1.00 0.00 O ATOM 916 CG2 THR A 59 2.231 -12.545 15.148 1.00 0.00 C ATOM 0 H THR A 59 0.515 -10.951 17.427 1.00 0.00 H new ATOM 0 HA THR A 59 1.918 -13.530 17.708 1.00 0.00 H new ATOM 0 HB THR A 59 3.824 -12.493 16.571 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.697 -10.294 15.512 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.863 -12.249 14.311 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.156 -13.632 15.179 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.237 -12.117 15.021 1.00 0.00 H new ATOM 924 N PRO A 60 3.626 -12.615 19.429 1.00 0.00 N ATOM 925 CA PRO A 60 4.341 -12.224 20.648 1.00 0.00 C ATOM 926 C PRO A 60 5.186 -10.970 20.447 1.00 0.00 C ATOM 927 O PRO A 60 5.745 -10.428 21.400 1.00 0.00 O ATOM 928 CB PRO A 60 5.237 -13.431 20.936 1.00 0.00 C ATOM 929 CG PRO A 60 5.435 -14.081 19.610 1.00 0.00 C ATOM 930 CD PRO A 60 4.161 -13.855 18.844 1.00 0.00 C ATOM 0 HA PRO A 60 3.657 -11.979 21.461 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.187 -13.123 21.372 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.767 -14.113 21.645 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.287 -13.648 19.086 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.638 -15.146 19.724 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.348 -13.747 17.776 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.467 -14.687 18.963 1.00 0.00 H new ATOM 938 N ALA A 61 5.274 -10.514 19.202 1.00 0.00 N ATOM 939 CA ALA A 61 6.048 -9.323 18.878 1.00 0.00 C ATOM 940 C ALA A 61 5.165 -8.080 18.867 1.00 0.00 C ATOM 941 O ALA A 61 5.590 -7.002 19.280 1.00 0.00 O ATOM 942 CB ALA A 61 6.740 -9.493 17.533 1.00 0.00 C ATOM 0 H ALA A 61 4.819 -10.952 18.401 1.00 0.00 H new ATOM 0 HA ALA A 61 6.806 -9.191 19.650 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.315 -8.596 17.304 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.410 -10.352 17.574 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.992 -9.653 16.757 1.00 0.00 H new ATOM 948 N GLU A 62 3.934 -8.238 18.390 1.00 0.00 N ATOM 949 CA GLU A 62 2.992 -7.127 18.324 1.00 0.00 C ATOM 950 C GLU A 62 2.676 -6.599 19.721 1.00 0.00 C ATOM 951 O GLU A 62 2.687 -5.391 19.956 1.00 0.00 O ATOM 952 CB GLU A 62 1.702 -7.564 17.628 1.00 0.00 C ATOM 953 CG GLU A 62 0.453 -6.911 18.195 1.00 0.00 C ATOM 954 CD GLU A 62 -0.732 -7.001 17.253 1.00 0.00 C ATOM 955 OE1 GLU A 62 -0.726 -6.295 16.222 1.00 0.00 O ATOM 956 OE2 GLU A 62 -1.665 -7.777 17.546 1.00 0.00 O ATOM 0 H GLU A 62 3.566 -9.124 18.044 1.00 0.00 H new ATOM 0 HA GLU A 62 3.454 -6.326 17.747 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.775 -7.329 16.566 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.604 -8.647 17.709 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.197 -7.387 19.142 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.662 -5.863 18.411 1.00 0.00 H new ATOM 963 N ALA A 63 2.393 -7.513 20.643 1.00 0.00 N ATOM 964 CA ALA A 63 2.075 -7.140 22.016 1.00 0.00 C ATOM 965 C ALA A 63 3.324 -6.688 22.765 1.00 0.00 C ATOM 966 O ALA A 63 3.265 -5.788 23.602 1.00 0.00 O ATOM 967 CB ALA A 63 1.416 -8.305 22.739 1.00 0.00 C ATOM 0 H ALA A 63 2.377 -8.517 20.464 1.00 0.00 H new ATOM 0 HA ALA A 63 1.378 -6.303 21.988 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.184 -8.013 23.763 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.496 -8.580 22.223 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.095 -9.158 22.750 1.00 0.00 H new ATOM 973 N GLY A 64 4.453 -7.319 22.459 1.00 0.00 N ATOM 974 CA GLY A 64 5.700 -6.968 23.114 1.00 0.00 C ATOM 975 C GLY A 64 6.029 -5.494 22.982 1.00 0.00 C ATOM 976 O GLY A 64 6.610 -4.897 23.887 1.00 0.00 O ATOM 0 H GLY A 64 4.527 -8.067 21.769 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.638 -7.230 24.170 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.510 -7.558 22.686 1.00 0.00 H new ATOM 980 N GLY A 65 5.658 -4.906 21.848 1.00 0.00 N ATOM 981 CA GLY A 65 5.927 -3.498 21.621 1.00 0.00 C ATOM 982 C GLY A 65 6.403 -3.220 20.208 1.00 0.00 C ATOM 983 O GLY A 65 6.314 -2.090 19.727 1.00 0.00 O ATOM 0 H GLY A 65 5.176 -5.379 21.083 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.022 -2.922 21.817 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.682 -3.156 22.329 1.00 0.00 H new ATOM 987 N LEU A 66 6.912 -4.252 19.543 1.00 0.00 N ATOM 988 CA LEU A 66 7.405 -4.113 18.178 1.00 0.00 C ATOM 989 C LEU A 66 6.300 -3.629 17.245 1.00 0.00 C ATOM 990 O LEU A 66 5.401 -4.388 16.883 1.00 0.00 O ATOM 991 CB LEU A 66 7.962 -5.447 17.678 1.00 0.00 C ATOM 992 CG LEU A 66 9.277 -5.905 18.309 1.00 0.00 C ATOM 993 CD1 LEU A 66 9.730 -7.224 17.702 1.00 0.00 C ATOM 994 CD2 LEU A 66 10.350 -4.840 18.139 1.00 0.00 C ATOM 0 H LEU A 66 6.994 -5.193 19.927 1.00 0.00 H new ATOM 0 HA LEU A 66 8.203 -3.370 18.181 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.212 -6.218 17.850 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.105 -5.377 16.600 1.00 0.00 H new ATOM 0 HG LEU A 66 9.112 -6.058 19.376 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.668 -7.534 18.164 1.00 0.00 H new ATOM 0 HD12 LEU A 66 8.970 -7.985 17.877 1.00 0.00 H new ATOM 0 HD13 LEU A 66 9.878 -7.099 16.629 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.279 -5.183 18.594 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.513 -4.654 17.077 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.028 -3.918 18.623 1.00 0.00 H new ATOM 1006 N LYS A 67 6.373 -2.360 16.858 1.00 0.00 N ATOM 1007 CA LYS A 67 5.381 -1.774 15.965 1.00 0.00 C ATOM 1008 C LYS A 67 5.981 -1.500 14.590 1.00 0.00 C ATOM 1009 O LYS A 67 7.159 -1.768 14.352 1.00 0.00 O ATOM 1010 CB LYS A 67 4.832 -0.475 16.561 1.00 0.00 C ATOM 1011 CG LYS A 67 3.690 -0.690 17.539 1.00 0.00 C ATOM 1012 CD LYS A 67 2.360 -0.843 16.820 1.00 0.00 C ATOM 1013 CE LYS A 67 1.278 -1.362 17.754 1.00 0.00 C ATOM 1014 NZ LYS A 67 0.456 -2.426 17.113 1.00 0.00 N ATOM 0 H LYS A 67 7.110 -1.717 17.149 1.00 0.00 H new ATOM 0 HA LYS A 67 4.565 -2.488 15.851 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.640 0.052 17.069 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.490 0.170 15.752 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.885 -1.580 18.138 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.637 0.153 18.228 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.055 0.119 16.408 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.476 -1.528 15.980 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.738 -1.755 18.660 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.633 -0.537 18.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.270 -2.754 17.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.004 -2.044 16.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.067 -3.224 16.847 1.00 0.00 H new ATOM 1028 N GLU A 68 5.165 -0.963 13.688 1.00 0.00 N ATOM 1029 CA GLU A 68 5.617 -0.653 12.337 1.00 0.00 C ATOM 1030 C GLU A 68 6.498 0.593 12.331 1.00 0.00 C ATOM 1031 O GLU A 68 6.393 1.444 13.212 1.00 0.00 O ATOM 1032 CB GLU A 68 4.419 -0.448 11.408 1.00 0.00 C ATOM 1033 CG GLU A 68 4.751 -0.631 9.937 1.00 0.00 C ATOM 1034 CD GLU A 68 3.516 -0.642 9.057 1.00 0.00 C ATOM 1035 OE1 GLU A 68 2.820 -1.679 9.023 1.00 0.00 O ATOM 1036 OE2 GLU A 68 3.245 0.386 8.403 1.00 0.00 O ATOM 0 H GLU A 68 4.188 -0.734 13.869 1.00 0.00 H new ATOM 0 HA GLU A 68 6.206 -1.496 11.977 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.632 -1.150 11.684 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.020 0.555 11.560 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.414 0.172 9.616 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.295 -1.566 9.805 1.00 0.00 H new ATOM 1043 N ASN A 69 7.367 0.691 11.330 1.00 0.00 N ATOM 1044 CA ASN A 69 8.267 1.832 11.208 1.00 0.00 C ATOM 1045 C ASN A 69 9.226 1.897 12.393 1.00 0.00 C ATOM 1046 O ASN A 69 9.640 2.978 12.812 1.00 0.00 O ATOM 1047 CB ASN A 69 7.467 3.132 11.114 1.00 0.00 C ATOM 1048 CG ASN A 69 6.179 2.963 10.331 1.00 0.00 C ATOM 1049 OD1 ASN A 69 5.086 3.017 10.894 1.00 0.00 O ATOM 1050 ND2 ASN A 69 6.304 2.756 9.025 1.00 0.00 N ATOM 0 H ASN A 69 7.467 -0.006 10.592 1.00 0.00 H new ATOM 0 HA ASN A 69 8.851 1.706 10.296 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.235 3.486 12.118 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.079 3.899 10.640 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.473 2.634 8.446 1.00 0.00 H new ATOM 0 HD22 ASN A 69 7.231 2.719 8.601 1.00 0.00 H new ATOM 1057 N ASP A 70 9.575 0.732 12.929 1.00 0.00 N ATOM 1058 CA ASP A 70 10.487 0.656 14.065 1.00 0.00 C ATOM 1059 C ASP A 70 11.903 0.325 13.604 1.00 0.00 C ATOM 1060 O ASP A 70 12.102 -0.227 12.522 1.00 0.00 O ATOM 1061 CB ASP A 70 10.003 -0.396 15.064 1.00 0.00 C ATOM 1062 CG ASP A 70 9.142 0.200 16.161 1.00 0.00 C ATOM 1063 OD1 ASP A 70 9.653 1.051 16.918 1.00 0.00 O ATOM 1064 OD2 ASP A 70 7.959 -0.186 16.262 1.00 0.00 O ATOM 0 H ASP A 70 9.240 -0.172 12.595 1.00 0.00 H new ATOM 0 HA ASP A 70 10.502 1.630 14.554 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.434 -1.161 14.535 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.865 -0.892 15.511 1.00 0.00 H new ATOM 1069 N VAL A 71 12.884 0.667 14.433 1.00 0.00 N ATOM 1070 CA VAL A 71 14.282 0.406 14.110 1.00 0.00 C ATOM 1071 C VAL A 71 15.045 -0.088 15.334 1.00 0.00 C ATOM 1072 O VAL A 71 15.265 0.661 16.286 1.00 0.00 O ATOM 1073 CB VAL A 71 14.976 1.667 13.561 1.00 0.00 C ATOM 1074 CG1 VAL A 71 16.370 1.331 13.053 1.00 0.00 C ATOM 1075 CG2 VAL A 71 14.137 2.300 12.462 1.00 0.00 C ATOM 0 H VAL A 71 12.737 1.125 15.332 1.00 0.00 H new ATOM 0 HA VAL A 71 14.291 -0.368 13.342 1.00 0.00 H new ATOM 0 HB VAL A 71 15.075 2.389 14.372 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.845 2.234 12.669 1.00 0.00 H new ATOM 0 HG12 VAL A 71 16.967 0.926 13.870 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.298 0.592 12.255 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.642 3.190 12.085 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.004 1.586 11.649 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.162 2.578 12.863 1.00 0.00 H new ATOM 1085 N ILE A 72 15.447 -1.355 15.302 1.00 0.00 N ATOM 1086 CA ILE A 72 16.187 -1.949 16.408 1.00 0.00 C ATOM 1087 C ILE A 72 17.662 -1.564 16.353 1.00 0.00 C ATOM 1088 O ILE A 72 18.302 -1.668 15.306 1.00 0.00 O ATOM 1089 CB ILE A 72 16.069 -3.484 16.405 1.00 0.00 C ATOM 1090 CG1 ILE A 72 14.600 -3.904 16.487 1.00 0.00 C ATOM 1091 CG2 ILE A 72 16.861 -4.080 17.559 1.00 0.00 C ATOM 1092 CD1 ILE A 72 14.194 -4.895 15.418 1.00 0.00 C ATOM 0 H ILE A 72 15.272 -1.989 14.522 1.00 0.00 H new ATOM 0 HA ILE A 72 15.746 -1.561 17.326 1.00 0.00 H new ATOM 0 HB ILE A 72 16.485 -3.863 15.472 1.00 0.00 H new ATOM 0 HG12 ILE A 72 14.410 -4.341 17.467 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.972 -3.017 16.406 1.00 0.00 H new ATOM 0 HG21 ILE A 72 16.767 -5.166 17.542 1.00 0.00 H new ATOM 0 HG22 ILE A 72 17.911 -3.805 17.460 1.00 0.00 H new ATOM 0 HG23 ILE A 72 16.473 -3.697 18.503 1.00 0.00 H new ATOM 0 HD11 ILE A 72 13.140 -5.148 15.537 1.00 0.00 H new ATOM 0 HD12 ILE A 72 14.352 -4.454 14.434 1.00 0.00 H new ATOM 0 HD13 ILE A 72 14.797 -5.798 15.512 1.00 0.00 H new ATOM 1104 N ILE A 73 18.195 -1.121 17.487 1.00 0.00 N ATOM 1105 CA ILE A 73 19.595 -0.724 17.568 1.00 0.00 C ATOM 1106 C ILE A 73 20.408 -1.737 18.366 1.00 0.00 C ATOM 1107 O ILE A 73 21.618 -1.863 18.178 1.00 0.00 O ATOM 1108 CB ILE A 73 19.749 0.666 18.214 1.00 0.00 C ATOM 1109 CG1 ILE A 73 18.991 0.722 19.542 1.00 0.00 C ATOM 1110 CG2 ILE A 73 19.252 1.748 17.268 1.00 0.00 C ATOM 1111 CD1 ILE A 73 19.819 1.260 20.688 1.00 0.00 C ATOM 0 H ILE A 73 17.679 -1.028 18.362 1.00 0.00 H new ATOM 0 HA ILE A 73 19.972 -0.684 16.546 1.00 0.00 H new ATOM 0 HB ILE A 73 20.806 0.843 18.413 1.00 0.00 H new ATOM 0 HG12 ILE A 73 18.106 1.346 19.420 1.00 0.00 H new ATOM 0 HG13 ILE A 73 18.643 -0.279 19.795 1.00 0.00 H new ATOM 0 HG21 ILE A 73 19.367 2.724 17.739 1.00 0.00 H new ATOM 0 HG22 ILE A 73 19.832 1.719 16.346 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.200 1.577 17.040 1.00 0.00 H new ATOM 0 HD11 ILE A 73 19.218 1.271 21.597 1.00 0.00 H new ATOM 0 HD12 ILE A 73 20.691 0.623 20.837 1.00 0.00 H new ATOM 0 HD13 ILE A 73 20.146 2.274 20.456 1.00 0.00 H new ATOM 1123 N SER A 74 19.735 -2.457 19.258 1.00 0.00 N ATOM 1124 CA SER A 74 20.396 -3.459 20.087 1.00 0.00 C ATOM 1125 C SER A 74 19.384 -4.456 20.644 1.00 0.00 C ATOM 1126 O SER A 74 18.208 -4.133 20.815 1.00 0.00 O ATOM 1127 CB SER A 74 21.149 -2.784 21.235 1.00 0.00 C ATOM 1128 OG SER A 74 21.722 -3.746 22.104 1.00 0.00 O ATOM 0 H SER A 74 18.733 -2.365 19.425 1.00 0.00 H new ATOM 0 HA SER A 74 21.107 -4.000 19.463 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.932 -2.141 20.832 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.467 -2.144 21.795 1.00 0.00 H new ATOM 0 HG SER A 74 22.199 -3.290 22.828 1.00 0.00 H new ATOM 1134 N ILE A 75 19.851 -5.668 20.924 1.00 0.00 N ATOM 1135 CA ILE A 75 18.988 -6.712 21.462 1.00 0.00 C ATOM 1136 C ILE A 75 19.737 -7.581 22.466 1.00 0.00 C ATOM 1137 O ILE A 75 20.812 -8.101 22.172 1.00 0.00 O ATOM 1138 CB ILE A 75 18.425 -7.610 20.344 1.00 0.00 C ATOM 1139 CG1 ILE A 75 17.629 -6.772 19.341 1.00 0.00 C ATOM 1140 CG2 ILE A 75 17.555 -8.709 20.934 1.00 0.00 C ATOM 1141 CD1 ILE A 75 17.050 -7.583 18.202 1.00 0.00 C ATOM 0 H ILE A 75 20.821 -5.951 20.787 1.00 0.00 H new ATOM 0 HA ILE A 75 18.161 -6.209 21.964 1.00 0.00 H new ATOM 0 HB ILE A 75 19.258 -8.077 19.819 1.00 0.00 H new ATOM 0 HG12 ILE A 75 16.818 -6.266 19.865 1.00 0.00 H new ATOM 0 HG13 ILE A 75 18.277 -5.997 18.932 1.00 0.00 H new ATOM 0 HG21 ILE A 75 17.165 -9.335 20.131 1.00 0.00 H new ATOM 0 HG22 ILE A 75 18.150 -9.319 21.613 1.00 0.00 H new ATOM 0 HG23 ILE A 75 16.725 -8.262 21.481 1.00 0.00 H new ATOM 0 HD11 ILE A 75 16.499 -6.925 17.530 1.00 0.00 H new ATOM 0 HD12 ILE A 75 17.857 -8.068 17.653 1.00 0.00 H new ATOM 0 HD13 ILE A 75 16.376 -8.341 18.601 1.00 0.00 H new ATOM 1153 N ASN A 76 19.161 -7.735 23.654 1.00 0.00 N ATOM 1154 CA ASN A 76 19.774 -8.542 24.702 1.00 0.00 C ATOM 1155 C ASN A 76 21.110 -7.947 25.136 1.00 0.00 C ATOM 1156 O ASN A 76 21.989 -8.657 25.623 1.00 0.00 O ATOM 1157 CB ASN A 76 19.975 -9.979 24.217 1.00 0.00 C ATOM 1158 CG ASN A 76 19.279 -10.992 25.104 1.00 0.00 C ATOM 1159 OD1 ASN A 76 19.583 -11.107 26.291 1.00 0.00 O ATOM 1160 ND2 ASN A 76 18.339 -11.734 24.529 1.00 0.00 N ATOM 0 H ASN A 76 18.270 -7.311 23.915 1.00 0.00 H new ATOM 0 HA ASN A 76 19.103 -8.547 25.561 1.00 0.00 H new ATOM 0 HB2 ASN A 76 19.597 -10.072 23.199 1.00 0.00 H new ATOM 0 HB3 ASN A 76 21.041 -10.202 24.183 1.00 0.00 H new ATOM 0 HD21 ASN A 76 17.836 -12.434 25.075 1.00 0.00 H new ATOM 0 HD22 ASN A 76 18.120 -11.604 23.541 1.00 0.00 H new ATOM 1167 N GLY A 77 21.256 -6.638 24.955 1.00 0.00 N ATOM 1168 CA GLY A 77 22.487 -5.970 25.332 1.00 0.00 C ATOM 1169 C GLY A 77 23.559 -6.084 24.267 1.00 0.00 C ATOM 1170 O GLY A 77 24.751 -6.005 24.566 1.00 0.00 O ATOM 0 H GLY A 77 20.543 -6.028 24.554 1.00 0.00 H new ATOM 0 HA2 GLY A 77 22.281 -4.917 25.524 1.00 0.00 H new ATOM 0 HA3 GLY A 77 22.858 -6.397 26.264 1.00 0.00 H new ATOM 1174 N GLN A 78 23.136 -6.273 23.021 1.00 0.00 N ATOM 1175 CA GLN A 78 24.070 -6.402 21.908 1.00 0.00 C ATOM 1176 C GLN A 78 23.647 -5.519 20.739 1.00 0.00 C ATOM 1177 O GLN A 78 22.524 -5.621 20.245 1.00 0.00 O ATOM 1178 CB GLN A 78 24.159 -7.860 21.456 1.00 0.00 C ATOM 1179 CG GLN A 78 25.533 -8.478 21.661 1.00 0.00 C ATOM 1180 CD GLN A 78 25.514 -9.631 22.646 1.00 0.00 C ATOM 1181 OE1 GLN A 78 24.562 -10.411 22.687 1.00 0.00 O ATOM 1182 NE2 GLN A 78 26.567 -9.744 23.446 1.00 0.00 N ATOM 0 H GLN A 78 22.153 -6.340 22.757 1.00 0.00 H new ATOM 0 HA GLN A 78 25.052 -6.075 22.250 1.00 0.00 H new ATOM 0 HB2 GLN A 78 23.421 -8.447 22.003 1.00 0.00 H new ATOM 0 HB3 GLN A 78 23.896 -7.921 20.400 1.00 0.00 H new ATOM 0 HG2 GLN A 78 25.915 -8.830 20.703 1.00 0.00 H new ATOM 0 HG3 GLN A 78 26.222 -7.712 22.017 1.00 0.00 H new ATOM 0 HE21 GLN A 78 27.334 -9.075 23.377 1.00 0.00 H new ATOM 0 HE22 GLN A 78 26.610 -10.500 24.129 1.00 0.00 H new ATOM 1191 N SER A 79 24.554 -4.653 20.300 1.00 0.00 N ATOM 1192 CA SER A 79 24.274 -3.749 19.190 1.00 0.00 C ATOM 1193 C SER A 79 24.213 -4.512 17.870 1.00 0.00 C ATOM 1194 O SER A 79 25.132 -5.254 17.526 1.00 0.00 O ATOM 1195 CB SER A 79 25.343 -2.657 19.112 1.00 0.00 C ATOM 1196 OG SER A 79 25.262 -1.784 20.225 1.00 0.00 O ATOM 0 H SER A 79 25.489 -4.558 20.696 1.00 0.00 H new ATOM 0 HA SER A 79 23.303 -3.286 19.367 1.00 0.00 H new ATOM 0 HB2 SER A 79 26.332 -3.114 19.075 1.00 0.00 H new ATOM 0 HB3 SER A 79 25.220 -2.088 18.190 1.00 0.00 H new ATOM 0 HG SER A 79 25.956 -1.096 20.153 1.00 0.00 H new ATOM 1202 N VAL A 80 23.121 -4.323 17.135 1.00 0.00 N ATOM 1203 CA VAL A 80 22.939 -4.992 15.853 1.00 0.00 C ATOM 1204 C VAL A 80 23.029 -4.000 14.698 1.00 0.00 C ATOM 1205 O VAL A 80 22.835 -2.798 14.881 1.00 0.00 O ATOM 1206 CB VAL A 80 21.582 -5.717 15.786 1.00 0.00 C ATOM 1207 CG1 VAL A 80 21.441 -6.694 16.944 1.00 0.00 C ATOM 1208 CG2 VAL A 80 20.440 -4.712 15.784 1.00 0.00 C ATOM 0 H VAL A 80 22.350 -3.712 17.406 1.00 0.00 H new ATOM 0 HA VAL A 80 23.740 -5.726 15.762 1.00 0.00 H new ATOM 0 HB VAL A 80 21.538 -6.284 14.856 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.476 -7.197 16.880 1.00 0.00 H new ATOM 0 HG12 VAL A 80 22.240 -7.434 16.895 1.00 0.00 H new ATOM 0 HG13 VAL A 80 21.506 -6.152 17.887 1.00 0.00 H new ATOM 0 HG21 VAL A 80 19.489 -5.242 15.736 1.00 0.00 H new ATOM 0 HG22 VAL A 80 20.478 -4.116 16.696 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.534 -4.056 14.918 1.00 0.00 H new ATOM 1218 N VAL A 81 23.326 -4.512 13.508 1.00 0.00 N ATOM 1219 CA VAL A 81 23.441 -3.672 12.322 1.00 0.00 C ATOM 1220 C VAL A 81 22.868 -4.372 11.095 1.00 0.00 C ATOM 1221 O VAL A 81 23.247 -4.072 9.963 1.00 0.00 O ATOM 1222 CB VAL A 81 24.907 -3.290 12.044 1.00 0.00 C ATOM 1223 CG1 VAL A 81 25.381 -2.235 13.032 1.00 0.00 C ATOM 1224 CG2 VAL A 81 25.798 -4.523 12.100 1.00 0.00 C ATOM 0 H VAL A 81 23.491 -5.504 13.340 1.00 0.00 H new ATOM 0 HA VAL A 81 22.869 -2.766 12.520 1.00 0.00 H new ATOM 0 HB VAL A 81 24.971 -2.868 11.041 1.00 0.00 H new ATOM 0 HG11 VAL A 81 26.419 -1.978 12.820 1.00 0.00 H new ATOM 0 HG12 VAL A 81 24.760 -1.344 12.939 1.00 0.00 H new ATOM 0 HG13 VAL A 81 25.304 -2.626 14.047 1.00 0.00 H new ATOM 0 HG21 VAL A 81 26.830 -4.235 11.901 1.00 0.00 H new ATOM 0 HG22 VAL A 81 25.731 -4.975 13.089 1.00 0.00 H new ATOM 0 HG23 VAL A 81 25.471 -5.243 11.349 1.00 0.00 H new ATOM 1234 N SER A 82 21.953 -5.307 11.327 1.00 0.00 N ATOM 1235 CA SER A 82 21.329 -6.053 10.240 1.00 0.00 C ATOM 1236 C SER A 82 20.053 -6.741 10.716 1.00 0.00 C ATOM 1237 O SER A 82 20.020 -7.334 11.794 1.00 0.00 O ATOM 1238 CB SER A 82 22.304 -7.091 9.681 1.00 0.00 C ATOM 1239 OG SER A 82 21.611 -8.155 9.052 1.00 0.00 O ATOM 0 H SER A 82 21.627 -5.566 12.258 1.00 0.00 H new ATOM 0 HA SER A 82 21.068 -5.348 9.451 1.00 0.00 H new ATOM 0 HB2 SER A 82 22.975 -6.616 8.965 1.00 0.00 H new ATOM 0 HB3 SER A 82 22.924 -7.483 10.487 1.00 0.00 H new ATOM 0 HG SER A 82 22.256 -8.804 8.702 1.00 0.00 H new ATOM 1245 N ALA A 83 19.005 -6.658 9.903 1.00 0.00 N ATOM 1246 CA ALA A 83 17.727 -7.273 10.239 1.00 0.00 C ATOM 1247 C ALA A 83 17.874 -8.781 10.418 1.00 0.00 C ATOM 1248 O ALA A 83 17.048 -9.422 11.066 1.00 0.00 O ATOM 1249 CB ALA A 83 16.695 -6.966 9.164 1.00 0.00 C ATOM 0 H ALA A 83 19.016 -6.171 9.007 1.00 0.00 H new ATOM 0 HA ALA A 83 17.387 -6.852 11.185 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.745 -7.431 9.428 1.00 0.00 H new ATOM 0 HB2 ALA A 83 16.561 -5.887 9.086 1.00 0.00 H new ATOM 0 HB3 ALA A 83 17.038 -7.359 8.207 1.00 0.00 H new ATOM 1255 N ASN A 84 18.932 -9.340 9.839 1.00 0.00 N ATOM 1256 CA ASN A 84 19.186 -10.773 9.933 1.00 0.00 C ATOM 1257 C ASN A 84 19.799 -11.129 11.285 1.00 0.00 C ATOM 1258 O ASN A 84 19.675 -12.259 11.756 1.00 0.00 O ATOM 1259 CB ASN A 84 20.116 -11.223 8.805 1.00 0.00 C ATOM 1260 CG ASN A 84 19.394 -12.044 7.754 1.00 0.00 C ATOM 1261 OD1 ASN A 84 18.778 -13.064 8.062 1.00 0.00 O ATOM 1262 ND2 ASN A 84 19.468 -11.601 6.504 1.00 0.00 N ATOM 0 H ASN A 84 19.627 -8.823 9.300 1.00 0.00 H new ATOM 0 HA ASN A 84 18.233 -11.293 9.837 1.00 0.00 H new ATOM 0 HB2 ASN A 84 20.562 -10.347 8.334 1.00 0.00 H new ATOM 0 HB3 ASN A 84 20.933 -11.811 9.224 1.00 0.00 H new ATOM 0 HD21 ASN A 84 19.003 -12.112 5.754 1.00 0.00 H new ATOM 0 HD22 ASN A 84 19.990 -10.750 6.295 1.00 0.00 H new ATOM 1269 N ASP A 85 20.458 -10.155 11.903 1.00 0.00 N ATOM 1270 CA ASP A 85 21.089 -10.364 13.201 1.00 0.00 C ATOM 1271 C ASP A 85 20.054 -10.320 14.322 1.00 0.00 C ATOM 1272 O ASP A 85 20.094 -11.128 15.250 1.00 0.00 O ATOM 1273 CB ASP A 85 22.168 -9.307 13.444 1.00 0.00 C ATOM 1274 CG ASP A 85 23.555 -9.803 13.085 1.00 0.00 C ATOM 1275 OD1 ASP A 85 23.754 -10.217 11.925 1.00 0.00 O ATOM 1276 OD2 ASP A 85 24.441 -9.777 13.966 1.00 0.00 O ATOM 0 H ASP A 85 20.569 -9.214 11.526 1.00 0.00 H new ATOM 0 HA ASP A 85 21.553 -11.351 13.197 1.00 0.00 H new ATOM 0 HB2 ASP A 85 21.940 -8.417 12.857 1.00 0.00 H new ATOM 0 HB3 ASP A 85 22.152 -9.010 14.493 1.00 0.00 H new ATOM 1281 N VAL A 86 19.129 -9.370 14.229 1.00 0.00 N ATOM 1282 CA VAL A 86 18.084 -9.220 15.234 1.00 0.00 C ATOM 1283 C VAL A 86 17.188 -10.452 15.284 1.00 0.00 C ATOM 1284 O VAL A 86 16.586 -10.754 16.314 1.00 0.00 O ATOM 1285 CB VAL A 86 17.215 -7.978 14.959 1.00 0.00 C ATOM 1286 CG1 VAL A 86 18.045 -6.709 15.079 1.00 0.00 C ATOM 1287 CG2 VAL A 86 16.568 -8.074 13.586 1.00 0.00 C ATOM 0 H VAL A 86 19.082 -8.693 13.468 1.00 0.00 H new ATOM 0 HA VAL A 86 18.584 -9.099 16.195 1.00 0.00 H new ATOM 0 HB VAL A 86 16.423 -7.937 15.706 1.00 0.00 H new ATOM 0 HG11 VAL A 86 17.415 -5.842 14.881 1.00 0.00 H new ATOM 0 HG12 VAL A 86 18.456 -6.637 16.086 1.00 0.00 H new ATOM 0 HG13 VAL A 86 18.860 -6.737 14.356 1.00 0.00 H new ATOM 0 HG21 VAL A 86 15.958 -7.188 13.409 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.343 -8.140 12.822 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.939 -8.963 13.542 1.00 0.00 H new ATOM 1297 N SER A 87 17.105 -11.162 14.163 1.00 0.00 N ATOM 1298 CA SER A 87 16.280 -12.361 14.077 1.00 0.00 C ATOM 1299 C SER A 87 17.014 -13.568 14.654 1.00 0.00 C ATOM 1300 O SER A 87 16.391 -14.530 15.104 1.00 0.00 O ATOM 1301 CB SER A 87 15.889 -12.634 12.623 1.00 0.00 C ATOM 1302 OG SER A 87 14.593 -12.136 12.341 1.00 0.00 O ATOM 0 H SER A 87 17.599 -10.927 13.302 1.00 0.00 H new ATOM 0 HA SER A 87 15.376 -12.193 14.663 1.00 0.00 H new ATOM 0 HB2 SER A 87 16.614 -12.169 11.955 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.920 -13.706 12.430 1.00 0.00 H new ATOM 0 HG SER A 87 14.368 -12.322 11.405 1.00 0.00 H new ATOM 1308 N ASP A 88 18.341 -13.510 14.636 1.00 0.00 N ATOM 1309 CA ASP A 88 19.161 -14.597 15.157 1.00 0.00 C ATOM 1310 C ASP A 88 18.919 -14.792 16.651 1.00 0.00 C ATOM 1311 O ASP A 88 18.920 -15.918 17.149 1.00 0.00 O ATOM 1312 CB ASP A 88 20.642 -14.315 14.900 1.00 0.00 C ATOM 1313 CG ASP A 88 21.258 -15.300 13.926 1.00 0.00 C ATOM 1314 OD1 ASP A 88 20.879 -15.275 12.737 1.00 0.00 O ATOM 1315 OD2 ASP A 88 22.120 -16.097 14.353 1.00 0.00 O ATOM 0 H ASP A 88 18.872 -12.721 14.266 1.00 0.00 H new ATOM 0 HA ASP A 88 18.878 -15.513 14.639 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.754 -13.304 14.509 1.00 0.00 H new ATOM 0 HB3 ASP A 88 21.185 -14.354 15.844 1.00 0.00 H new ATOM 1320 N VAL A 89 18.714 -13.687 17.361 1.00 0.00 N ATOM 1321 CA VAL A 89 18.471 -13.736 18.798 1.00 0.00 C ATOM 1322 C VAL A 89 17.150 -14.432 19.108 1.00 0.00 C ATOM 1323 O VAL A 89 16.960 -14.965 20.202 1.00 0.00 O ATOM 1324 CB VAL A 89 18.452 -12.324 19.412 1.00 0.00 C ATOM 1325 CG1 VAL A 89 18.323 -12.402 20.926 1.00 0.00 C ATOM 1326 CG2 VAL A 89 19.701 -11.553 19.014 1.00 0.00 C ATOM 0 H VAL A 89 18.711 -12.747 16.965 1.00 0.00 H new ATOM 0 HA VAL A 89 19.290 -14.304 19.239 1.00 0.00 H new ATOM 0 HB VAL A 89 17.585 -11.790 19.024 1.00 0.00 H new ATOM 0 HG11 VAL A 89 18.311 -11.395 21.343 1.00 0.00 H new ATOM 0 HG12 VAL A 89 17.396 -12.913 21.186 1.00 0.00 H new ATOM 0 HG13 VAL A 89 19.169 -12.954 21.335 1.00 0.00 H new ATOM 0 HG21 VAL A 89 19.671 -10.557 19.457 1.00 0.00 H new ATOM 0 HG22 VAL A 89 20.584 -12.082 19.371 1.00 0.00 H new ATOM 0 HG23 VAL A 89 19.744 -11.466 17.928 1.00 0.00 H new ATOM 1336 N ILE A 90 16.241 -14.422 18.140 1.00 0.00 N ATOM 1337 CA ILE A 90 14.938 -15.053 18.309 1.00 0.00 C ATOM 1338 C ILE A 90 15.081 -16.553 18.547 1.00 0.00 C ATOM 1339 O ILE A 90 14.432 -17.118 19.428 1.00 0.00 O ATOM 1340 CB ILE A 90 14.037 -14.823 17.082 1.00 0.00 C ATOM 1341 CG1 ILE A 90 13.972 -13.332 16.742 1.00 0.00 C ATOM 1342 CG2 ILE A 90 12.642 -15.374 17.338 1.00 0.00 C ATOM 1343 CD1 ILE A 90 13.096 -13.022 15.549 1.00 0.00 C ATOM 0 H ILE A 90 16.383 -13.984 17.230 1.00 0.00 H new ATOM 0 HA ILE A 90 14.474 -14.591 19.181 1.00 0.00 H new ATOM 0 HB ILE A 90 14.465 -15.353 16.231 1.00 0.00 H new ATOM 0 HG12 ILE A 90 13.599 -12.786 17.608 1.00 0.00 H new ATOM 0 HG13 ILE A 90 14.981 -12.968 16.546 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.017 -15.204 16.461 1.00 0.00 H new ATOM 0 HG22 ILE A 90 12.704 -16.444 17.537 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.204 -14.870 18.199 1.00 0.00 H new ATOM 0 HD11 ILE A 90 13.097 -11.947 15.366 1.00 0.00 H new ATOM 0 HD12 ILE A 90 13.481 -13.540 14.671 1.00 0.00 H new ATOM 0 HD13 ILE A 90 12.078 -13.355 15.749 1.00 0.00 H new ATOM 1355 N LYS A 91 15.935 -17.193 17.756 1.00 0.00 N ATOM 1356 CA LYS A 91 16.167 -18.627 17.881 1.00 0.00 C ATOM 1357 C LYS A 91 17.325 -18.910 18.832 1.00 0.00 C ATOM 1358 O LYS A 91 17.427 -20.001 19.393 1.00 0.00 O ATOM 1359 CB LYS A 91 16.458 -19.239 16.508 1.00 0.00 C ATOM 1360 CG LYS A 91 17.750 -18.742 15.883 1.00 0.00 C ATOM 1361 CD LYS A 91 17.495 -18.038 14.561 1.00 0.00 C ATOM 1362 CE LYS A 91 17.143 -19.028 13.461 1.00 0.00 C ATOM 1363 NZ LYS A 91 17.411 -18.471 12.107 1.00 0.00 N ATOM 0 H LYS A 91 16.478 -16.741 17.021 1.00 0.00 H new ATOM 0 HA LYS A 91 15.265 -19.082 18.291 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.505 -20.324 16.605 1.00 0.00 H new ATOM 0 HB3 LYS A 91 15.629 -19.015 15.836 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.248 -18.058 16.570 1.00 0.00 H new ATOM 0 HG3 LYS A 91 18.425 -19.583 15.724 1.00 0.00 H new ATOM 0 HD2 LYS A 91 16.683 -17.321 14.680 1.00 0.00 H new ATOM 0 HD3 LYS A 91 18.380 -17.472 14.272 1.00 0.00 H new ATOM 0 HE2 LYS A 91 17.719 -19.943 13.598 1.00 0.00 H new ATOM 0 HE3 LYS A 91 16.090 -19.300 13.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 17.158 -19.176 11.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 16.842 -17.612 11.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.420 -18.235 12.022 1.00 0.00 H new ATOM 1377 N ARG A 92 18.194 -17.920 19.009 1.00 0.00 N ATOM 1378 CA ARG A 92 19.345 -18.064 19.893 1.00 0.00 C ATOM 1379 C ARG A 92 18.912 -18.047 21.356 1.00 0.00 C ATOM 1380 O ARG A 92 19.160 -18.997 22.097 1.00 0.00 O ATOM 1381 CB ARG A 92 20.355 -16.944 19.636 1.00 0.00 C ATOM 1382 CG ARG A 92 21.719 -17.200 20.255 1.00 0.00 C ATOM 1383 CD ARG A 92 22.725 -17.662 19.212 1.00 0.00 C ATOM 1384 NE ARG A 92 23.963 -18.143 19.820 1.00 0.00 N ATOM 1385 CZ ARG A 92 25.011 -18.562 19.121 1.00 0.00 C ATOM 1386 NH1 ARG A 92 24.973 -18.558 17.796 1.00 0.00 N ATOM 1387 NH2 ARG A 92 26.102 -18.985 19.747 1.00 0.00 N ATOM 0 H ARG A 92 18.123 -17.011 18.553 1.00 0.00 H new ATOM 0 HA ARG A 92 19.816 -19.024 19.682 1.00 0.00 H new ATOM 0 HB2 ARG A 92 20.473 -16.812 18.560 1.00 0.00 H new ATOM 0 HB3 ARG A 92 19.956 -16.009 20.030 1.00 0.00 H new ATOM 0 HG2 ARG A 92 22.080 -16.289 20.732 1.00 0.00 H new ATOM 0 HG3 ARG A 92 21.630 -17.955 21.036 1.00 0.00 H new ATOM 0 HD2 ARG A 92 22.284 -18.457 18.610 1.00 0.00 H new ATOM 0 HD3 ARG A 92 22.950 -16.838 18.535 1.00 0.00 H new ATOM 0 HE ARG A 92 24.026 -18.158 20.838 1.00 0.00 H new ATOM 0 HH11 ARG A 92 24.137 -18.232 17.311 1.00 0.00 H new ATOM 0 HH12 ARG A 92 25.780 -18.881 17.262 1.00 0.00 H new ATOM 0 HH21 ARG A 92 26.136 -18.988 20.766 1.00 0.00 H new ATOM 0 HH22 ARG A 92 26.906 -19.307 19.209 1.00 0.00 H new ATOM 1401 N GLU A 93 18.264 -16.960 21.764 1.00 0.00 N ATOM 1402 CA GLU A 93 17.798 -16.819 23.139 1.00 0.00 C ATOM 1403 C GLU A 93 16.286 -17.002 23.222 1.00 0.00 C ATOM 1404 O GLU A 93 15.559 -16.689 22.280 1.00 0.00 O ATOM 1405 CB GLU A 93 18.189 -15.449 23.696 1.00 0.00 C ATOM 1406 CG GLU A 93 19.623 -15.053 23.388 1.00 0.00 C ATOM 1407 CD GLU A 93 20.636 -15.940 24.086 1.00 0.00 C ATOM 1408 OE1 GLU A 93 20.761 -17.120 23.695 1.00 0.00 O ATOM 1409 OE2 GLU A 93 21.303 -15.455 25.023 1.00 0.00 O ATOM 0 H GLU A 93 18.050 -16.165 21.162 1.00 0.00 H new ATOM 0 HA GLU A 93 18.274 -17.595 23.738 1.00 0.00 H new ATOM 0 HB2 GLU A 93 17.517 -14.695 23.287 1.00 0.00 H new ATOM 0 HB3 GLU A 93 18.046 -15.451 24.777 1.00 0.00 H new ATOM 0 HG2 GLU A 93 19.786 -15.100 22.311 1.00 0.00 H new ATOM 0 HG3 GLU A 93 19.783 -14.018 23.690 1.00 0.00 H new ATOM 1416 N SER A 94 15.819 -17.513 24.357 1.00 0.00 N ATOM 1417 CA SER A 94 14.394 -17.742 24.563 1.00 0.00 C ATOM 1418 C SER A 94 13.636 -16.420 24.639 1.00 0.00 C ATOM 1419 O SER A 94 12.503 -16.312 24.169 1.00 0.00 O ATOM 1420 CB SER A 94 14.165 -18.549 25.843 1.00 0.00 C ATOM 1421 OG SER A 94 15.251 -19.424 26.095 1.00 0.00 O ATOM 0 H SER A 94 16.407 -17.776 25.148 1.00 0.00 H new ATOM 0 HA SER A 94 14.016 -18.309 23.712 1.00 0.00 H new ATOM 0 HB2 SER A 94 14.037 -17.871 26.686 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.243 -19.124 25.754 1.00 0.00 H new ATOM 0 HG SER A 94 15.081 -19.927 26.919 1.00 0.00 H new ATOM 1427 N THR A 95 14.270 -15.415 25.236 1.00 0.00 N ATOM 1428 CA THR A 95 13.658 -14.101 25.376 1.00 0.00 C ATOM 1429 C THR A 95 14.170 -13.139 24.310 1.00 0.00 C ATOM 1430 O THR A 95 15.115 -13.448 23.582 1.00 0.00 O ATOM 1431 CB THR A 95 13.931 -13.499 26.767 1.00 0.00 C ATOM 1432 OG1 THR A 95 14.166 -14.545 27.716 1.00 0.00 O ATOM 1433 CG2 THR A 95 12.759 -12.644 27.227 1.00 0.00 C ATOM 0 H THR A 95 15.208 -15.487 25.630 1.00 0.00 H new ATOM 0 HA THR A 95 12.584 -14.239 25.252 1.00 0.00 H new ATOM 0 HB THR A 95 14.816 -12.867 26.697 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.340 -14.154 28.597 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.975 -12.230 28.212 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.601 -11.831 26.518 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.860 -13.258 27.281 1.00 0.00 H new ATOM 1441 N LEU A 96 13.542 -11.972 24.221 1.00 0.00 N ATOM 1442 CA LEU A 96 13.935 -10.963 23.243 1.00 0.00 C ATOM 1443 C LEU A 96 13.908 -9.568 23.859 1.00 0.00 C ATOM 1444 O LEU A 96 12.870 -8.909 23.883 1.00 0.00 O ATOM 1445 CB LEU A 96 13.007 -11.014 22.028 1.00 0.00 C ATOM 1446 CG LEU A 96 13.085 -12.282 21.176 1.00 0.00 C ATOM 1447 CD1 LEU A 96 12.137 -12.188 19.991 1.00 0.00 C ATOM 1448 CD2 LEU A 96 14.512 -12.518 20.703 1.00 0.00 C ATOM 0 H LEU A 96 12.758 -11.701 24.814 1.00 0.00 H new ATOM 0 HA LEU A 96 14.954 -11.179 22.924 1.00 0.00 H new ATOM 0 HB2 LEU A 96 11.980 -10.896 22.375 1.00 0.00 H new ATOM 0 HB3 LEU A 96 13.228 -10.158 21.391 1.00 0.00 H new ATOM 0 HG LEU A 96 12.782 -13.130 21.790 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.206 -13.099 19.396 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.115 -12.067 20.351 1.00 0.00 H new ATOM 0 HD13 LEU A 96 12.409 -11.331 19.375 1.00 0.00 H new ATOM 0 HD21 LEU A 96 14.550 -13.424 20.098 1.00 0.00 H new ATOM 0 HD22 LEU A 96 14.842 -11.669 20.105 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.168 -12.631 21.566 1.00 0.00 H new ATOM 1460 N ASN A 97 15.059 -9.124 24.354 1.00 0.00 N ATOM 1461 CA ASN A 97 15.168 -7.806 24.969 1.00 0.00 C ATOM 1462 C ASN A 97 15.648 -6.771 23.956 1.00 0.00 C ATOM 1463 O ASN A 97 16.791 -6.319 24.009 1.00 0.00 O ATOM 1464 CB ASN A 97 16.129 -7.854 26.159 1.00 0.00 C ATOM 1465 CG ASN A 97 15.519 -8.540 27.367 1.00 0.00 C ATOM 1466 OD1 ASN A 97 15.067 -9.774 27.180 1.00 0.00 O flip ATOM 1467 ND2 ASN A 97 15.457 -7.966 28.454 1.00 0.00 N flip ATOM 0 H ASN A 97 15.929 -9.657 24.341 1.00 0.00 H new ATOM 0 HA ASN A 97 14.178 -7.513 25.320 1.00 0.00 H new ATOM 0 HB2 ASN A 97 17.039 -8.379 25.867 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.420 -6.839 26.429 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.818 -7.017 28.551 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.045 -8.440 29.258 1.00 0.00 H new ATOM 1474 N MET A 98 14.765 -6.401 23.033 1.00 0.00 N ATOM 1475 CA MET A 98 15.098 -5.419 22.009 1.00 0.00 C ATOM 1476 C MET A 98 15.002 -4.001 22.563 1.00 0.00 C ATOM 1477 O MET A 98 14.342 -3.763 23.575 1.00 0.00 O ATOM 1478 CB MET A 98 14.168 -5.572 20.804 1.00 0.00 C ATOM 1479 CG MET A 98 13.922 -7.018 20.406 1.00 0.00 C ATOM 1480 SD MET A 98 13.476 -7.194 18.668 1.00 0.00 S ATOM 1481 CE MET A 98 12.712 -8.813 18.676 1.00 0.00 C ATOM 0 H MET A 98 13.815 -6.767 22.974 1.00 0.00 H new ATOM 0 HA MET A 98 16.125 -5.597 21.691 1.00 0.00 H new ATOM 0 HB2 MET A 98 13.213 -5.098 21.030 1.00 0.00 H new ATOM 0 HB3 MET A 98 14.595 -5.038 19.955 1.00 0.00 H new ATOM 0 HG2 MET A 98 14.819 -7.604 20.608 1.00 0.00 H new ATOM 0 HG3 MET A 98 13.125 -7.431 21.025 1.00 0.00 H new ATOM 0 HE1 MET A 98 12.138 -8.949 17.760 1.00 0.00 H new ATOM 0 HE2 MET A 98 13.484 -9.580 18.737 1.00 0.00 H new ATOM 0 HE3 MET A 98 12.048 -8.898 19.536 1.00 0.00 H new ATOM 1491 N VAL A 99 15.665 -3.062 21.895 1.00 0.00 N ATOM 1492 CA VAL A 99 15.653 -1.668 22.321 1.00 0.00 C ATOM 1493 C VAL A 99 15.449 -0.733 21.135 1.00 0.00 C ATOM 1494 O VAL A 99 16.397 -0.396 20.425 1.00 0.00 O ATOM 1495 CB VAL A 99 16.962 -1.290 23.040 1.00 0.00 C ATOM 1496 CG1 VAL A 99 16.892 0.137 23.563 1.00 0.00 C ATOM 1497 CG2 VAL A 99 17.251 -2.267 24.169 1.00 0.00 C ATOM 0 H VAL A 99 16.217 -3.242 21.056 1.00 0.00 H new ATOM 0 HA VAL A 99 14.820 -1.556 23.015 1.00 0.00 H new ATOM 0 HB VAL A 99 17.780 -1.348 22.322 1.00 0.00 H new ATOM 0 HG11 VAL A 99 17.826 0.386 24.068 1.00 0.00 H new ATOM 0 HG12 VAL A 99 16.736 0.823 22.730 1.00 0.00 H new ATOM 0 HG13 VAL A 99 16.064 0.226 24.266 1.00 0.00 H new ATOM 0 HG21 VAL A 99 18.179 -1.985 24.666 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.433 -2.244 24.889 1.00 0.00 H new ATOM 0 HG23 VAL A 99 17.349 -3.274 23.763 1.00 0.00 H new ATOM 1507 N VAL A 100 14.205 -0.315 20.926 1.00 0.00 N ATOM 1508 CA VAL A 100 13.875 0.584 19.826 1.00 0.00 C ATOM 1509 C VAL A 100 13.694 2.015 20.320 1.00 0.00 C ATOM 1510 O VAL A 100 13.324 2.242 21.472 1.00 0.00 O ATOM 1511 CB VAL A 100 12.591 0.137 19.101 1.00 0.00 C ATOM 1512 CG1 VAL A 100 11.382 0.298 20.010 1.00 0.00 C ATOM 1513 CG2 VAL A 100 12.408 0.921 17.811 1.00 0.00 C ATOM 0 H VAL A 100 13.409 -0.584 21.504 1.00 0.00 H new ATOM 0 HA VAL A 100 14.710 0.547 19.127 1.00 0.00 H new ATOM 0 HB VAL A 100 12.686 -0.919 18.846 1.00 0.00 H new ATOM 0 HG11 VAL A 100 10.484 -0.022 19.481 1.00 0.00 H new ATOM 0 HG12 VAL A 100 11.515 -0.312 20.903 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.280 1.344 20.298 1.00 0.00 H new ATOM 0 HG21 VAL A 100 11.496 0.593 17.312 1.00 0.00 H new ATOM 0 HG22 VAL A 100 12.334 1.984 18.039 1.00 0.00 H new ATOM 0 HG23 VAL A 100 13.262 0.749 17.156 1.00 0.00 H new ATOM 1523 N ARG A 101 13.958 2.976 19.442 1.00 0.00 N ATOM 1524 CA ARG A 101 13.825 4.386 19.789 1.00 0.00 C ATOM 1525 C ARG A 101 12.458 4.922 19.373 1.00 0.00 C ATOM 1526 O ARG A 101 12.127 4.953 18.188 1.00 0.00 O ATOM 1527 CB ARG A 101 14.931 5.204 19.120 1.00 0.00 C ATOM 1528 CG ARG A 101 16.300 5.009 19.751 1.00 0.00 C ATOM 1529 CD ARG A 101 16.408 5.735 21.083 1.00 0.00 C ATOM 1530 NE ARG A 101 17.797 5.896 21.507 1.00 0.00 N ATOM 1531 CZ ARG A 101 18.184 6.752 22.446 1.00 0.00 C ATOM 1532 NH1 ARG A 101 17.292 7.520 23.056 1.00 0.00 N ATOM 1533 NH2 ARG A 101 19.466 6.840 22.777 1.00 0.00 N ATOM 0 H ARG A 101 14.265 2.804 18.485 1.00 0.00 H new ATOM 0 HA ARG A 101 13.918 4.478 20.871 1.00 0.00 H new ATOM 0 HB2 ARG A 101 14.984 4.933 18.066 1.00 0.00 H new ATOM 0 HB3 ARG A 101 14.667 6.261 19.164 1.00 0.00 H new ATOM 0 HG2 ARG A 101 16.485 3.945 19.899 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.070 5.375 19.072 1.00 0.00 H new ATOM 0 HD2 ARG A 101 15.938 6.715 21.001 1.00 0.00 H new ATOM 0 HD3 ARG A 101 15.859 5.181 21.844 1.00 0.00 H new ATOM 0 HE ARG A 101 18.508 5.320 21.057 1.00 0.00 H new ATOM 0 HH11 ARG A 101 16.306 7.454 22.805 1.00 0.00 H new ATOM 0 HH12 ARG A 101 17.592 8.176 23.777 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.155 6.250 22.310 1.00 0.00 H new ATOM 0 HH22 ARG A 101 19.763 7.498 23.498 1.00 0.00 H new ATOM 1547 N ARG A 102 11.669 5.343 20.356 1.00 0.00 N ATOM 1548 CA ARG A 102 10.338 5.876 20.093 1.00 0.00 C ATOM 1549 C ARG A 102 10.215 7.309 20.603 1.00 0.00 C ATOM 1550 O ARG A 102 10.441 7.581 21.781 1.00 0.00 O ATOM 1551 CB ARG A 102 9.274 4.996 20.751 1.00 0.00 C ATOM 1552 CG ARG A 102 8.277 4.406 19.767 1.00 0.00 C ATOM 1553 CD ARG A 102 7.680 3.108 20.289 1.00 0.00 C ATOM 1554 NE ARG A 102 8.262 1.938 19.638 1.00 0.00 N ATOM 1555 CZ ARG A 102 7.865 0.692 19.873 1.00 0.00 C ATOM 1556 NH1 ARG A 102 6.889 0.457 20.739 1.00 0.00 N ATOM 1557 NH2 ARG A 102 8.443 -0.321 19.241 1.00 0.00 N ATOM 0 H ARG A 102 11.929 5.325 21.342 1.00 0.00 H new ATOM 0 HA ARG A 102 10.182 5.878 19.014 1.00 0.00 H new ATOM 0 HB2 ARG A 102 9.766 4.184 21.287 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.734 5.586 21.492 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.480 5.125 19.580 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.771 4.223 18.813 1.00 0.00 H new ATOM 0 HD2 ARG A 102 7.841 3.042 21.365 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.602 3.114 20.128 1.00 0.00 H new ATOM 0 HE ARG A 102 9.015 2.085 18.966 1.00 0.00 H new ATOM 0 HH11 ARG A 102 6.442 1.233 21.226 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.586 -0.500 20.918 1.00 0.00 H new ATOM 0 HH21 ARG A 102 9.194 -0.144 18.573 1.00 0.00 H new ATOM 0 HH22 ARG A 102 8.137 -1.277 19.423 1.00 0.00 H new ATOM 1571 N GLY A 103 9.857 8.222 19.705 1.00 0.00 N ATOM 1572 CA GLY A 103 9.711 9.616 20.083 1.00 0.00 C ATOM 1573 C GLY A 103 11.047 10.308 20.269 1.00 0.00 C ATOM 1574 O GLY A 103 11.569 10.923 19.340 1.00 0.00 O ATOM 0 H GLY A 103 9.666 8.022 18.723 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.138 10.139 19.318 1.00 0.00 H new ATOM 0 HA3 GLY A 103 9.140 9.680 21.009 1.00 0.00 H new ATOM 1578 N ASN A 104 11.600 10.210 21.473 1.00 0.00 N ATOM 1579 CA ASN A 104 12.882 10.834 21.779 1.00 0.00 C ATOM 1580 C ASN A 104 13.579 10.112 22.928 1.00 0.00 C ATOM 1581 O ASN A 104 14.204 10.740 23.781 1.00 0.00 O ATOM 1582 CB ASN A 104 12.682 12.309 22.136 1.00 0.00 C ATOM 1583 CG ASN A 104 12.277 13.144 20.937 1.00 0.00 C ATOM 1584 OD1 ASN A 104 13.064 13.345 20.012 1.00 0.00 O ATOM 1585 ND2 ASN A 104 11.043 13.635 20.948 1.00 0.00 N ATOM 0 H ASN A 104 11.180 9.704 22.253 1.00 0.00 H new ATOM 0 HA ASN A 104 13.513 10.763 20.893 1.00 0.00 H new ATOM 0 HB2 ASN A 104 11.918 12.393 22.908 1.00 0.00 H new ATOM 0 HB3 ASN A 104 13.605 12.707 22.557 1.00 0.00 H new ATOM 0 HD21 ASN A 104 10.714 14.204 20.168 1.00 0.00 H new ATOM 0 HD22 ASN A 104 10.425 13.443 21.736 1.00 0.00 H new ATOM 1592 N GLU A 105 13.466 8.787 22.941 1.00 0.00 N ATOM 1593 CA GLU A 105 14.086 7.979 23.985 1.00 0.00 C ATOM 1594 C GLU A 105 14.180 6.517 23.558 1.00 0.00 C ATOM 1595 O GLU A 105 13.756 6.151 22.462 1.00 0.00 O ATOM 1596 CB GLU A 105 13.290 8.092 25.287 1.00 0.00 C ATOM 1597 CG GLU A 105 11.788 7.972 25.095 1.00 0.00 C ATOM 1598 CD GLU A 105 11.054 7.698 26.393 1.00 0.00 C ATOM 1599 OE1 GLU A 105 11.234 8.477 27.352 1.00 0.00 O ATOM 1600 OE2 GLU A 105 10.300 6.704 26.450 1.00 0.00 O ATOM 0 H GLU A 105 12.952 8.251 22.242 1.00 0.00 H new ATOM 0 HA GLU A 105 15.095 8.356 24.150 1.00 0.00 H new ATOM 0 HB2 GLU A 105 13.623 7.315 25.975 1.00 0.00 H new ATOM 0 HB3 GLU A 105 13.512 9.050 25.757 1.00 0.00 H new ATOM 0 HG2 GLU A 105 11.407 8.893 24.654 1.00 0.00 H new ATOM 0 HG3 GLU A 105 11.579 7.170 24.387 1.00 0.00 H new ATOM 1607 N ASP A 106 14.738 5.687 24.432 1.00 0.00 N ATOM 1608 CA ASP A 106 14.888 4.264 24.147 1.00 0.00 C ATOM 1609 C ASP A 106 13.878 3.442 24.941 1.00 0.00 C ATOM 1610 O ASP A 106 13.742 3.610 26.153 1.00 0.00 O ATOM 1611 CB ASP A 106 16.309 3.804 24.473 1.00 0.00 C ATOM 1612 CG ASP A 106 16.685 4.065 25.919 1.00 0.00 C ATOM 1613 OD1 ASP A 106 16.325 3.240 26.784 1.00 0.00 O ATOM 1614 OD2 ASP A 106 17.338 5.096 26.185 1.00 0.00 O ATOM 0 H ASP A 106 15.094 5.974 25.344 1.00 0.00 H new ATOM 0 HA ASP A 106 14.700 4.109 23.085 1.00 0.00 H new ATOM 0 HB2 ASP A 106 16.400 2.738 24.264 1.00 0.00 H new ATOM 0 HB3 ASP A 106 17.013 4.318 23.819 1.00 0.00 H new ATOM 1619 N ILE A 107 13.172 2.554 24.249 1.00 0.00 N ATOM 1620 CA ILE A 107 12.174 1.705 24.890 1.00 0.00 C ATOM 1621 C ILE A 107 12.486 0.229 24.671 1.00 0.00 C ATOM 1622 O ILE A 107 12.754 -0.199 23.549 1.00 0.00 O ATOM 1623 CB ILE A 107 10.759 2.004 24.363 1.00 0.00 C ATOM 1624 CG1 ILE A 107 10.429 3.488 24.534 1.00 0.00 C ATOM 1625 CG2 ILE A 107 9.733 1.142 25.083 1.00 0.00 C ATOM 1626 CD1 ILE A 107 9.148 3.906 23.846 1.00 0.00 C ATOM 0 H ILE A 107 13.272 2.403 23.245 1.00 0.00 H new ATOM 0 HA ILE A 107 12.209 1.926 25.957 1.00 0.00 H new ATOM 0 HB ILE A 107 10.726 1.764 23.300 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.351 3.714 25.597 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.254 4.083 24.141 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.737 1.365 24.700 1.00 0.00 H new ATOM 0 HG22 ILE A 107 9.960 0.089 24.914 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.766 1.353 26.152 1.00 0.00 H new ATOM 0 HD11 ILE A 107 8.978 4.970 24.010 1.00 0.00 H new ATOM 0 HD12 ILE A 107 9.229 3.712 22.777 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.313 3.338 24.255 1.00 0.00 H new ATOM 1638 N MET A 108 12.447 -0.545 25.751 1.00 0.00 N ATOM 1639 CA MET A 108 12.722 -1.975 25.676 1.00 0.00 C ATOM 1640 C MET A 108 11.489 -2.743 25.212 1.00 0.00 C ATOM 1641 O MET A 108 10.368 -2.443 25.626 1.00 0.00 O ATOM 1642 CB MET A 108 13.181 -2.500 27.038 1.00 0.00 C ATOM 1643 CG MET A 108 14.622 -2.149 27.370 1.00 0.00 C ATOM 1644 SD MET A 108 15.327 -3.229 28.631 1.00 0.00 S ATOM 1645 CE MET A 108 16.881 -3.678 27.861 1.00 0.00 C ATOM 0 H MET A 108 12.228 -0.206 26.688 1.00 0.00 H new ATOM 0 HA MET A 108 13.519 -2.128 24.948 1.00 0.00 H new ATOM 0 HB2 MET A 108 12.529 -2.096 27.813 1.00 0.00 H new ATOM 0 HB3 MET A 108 13.066 -3.584 27.058 1.00 0.00 H new ATOM 0 HG2 MET A 108 15.225 -2.212 26.464 1.00 0.00 H new ATOM 0 HG3 MET A 108 14.670 -1.116 27.714 1.00 0.00 H new ATOM 0 HE1 MET A 108 17.434 -4.346 28.521 1.00 0.00 H new ATOM 0 HE2 MET A 108 16.686 -4.182 26.915 1.00 0.00 H new ATOM 0 HE3 MET A 108 17.470 -2.779 27.678 1.00 0.00 H new ATOM 1655 N ILE A 109 11.702 -3.732 24.350 1.00 0.00 N ATOM 1656 CA ILE A 109 10.607 -4.541 23.831 1.00 0.00 C ATOM 1657 C ILE A 109 10.819 -6.019 24.144 1.00 0.00 C ATOM 1658 O ILE A 109 11.553 -6.714 23.441 1.00 0.00 O ATOM 1659 CB ILE A 109 10.450 -4.367 22.309 1.00 0.00 C ATOM 1660 CG1 ILE A 109 10.300 -2.886 21.956 1.00 0.00 C ATOM 1661 CG2 ILE A 109 9.254 -5.161 21.805 1.00 0.00 C ATOM 1662 CD1 ILE A 109 9.094 -2.232 22.592 1.00 0.00 C ATOM 0 H ILE A 109 12.623 -3.992 23.997 1.00 0.00 H new ATOM 0 HA ILE A 109 9.698 -4.195 24.323 1.00 0.00 H new ATOM 0 HB ILE A 109 11.346 -4.749 21.820 1.00 0.00 H new ATOM 0 HG12 ILE A 109 11.199 -2.354 22.268 1.00 0.00 H new ATOM 0 HG13 ILE A 109 10.229 -2.784 20.873 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.157 -5.028 20.728 1.00 0.00 H new ATOM 0 HG22 ILE A 109 9.399 -6.218 22.028 1.00 0.00 H new ATOM 0 HG23 ILE A 109 8.348 -4.807 22.298 1.00 0.00 H new ATOM 0 HD11 ILE A 109 9.051 -1.183 22.298 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.188 -2.739 22.260 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.172 -2.302 23.677 1.00 0.00 H new ATOM 1674 N THR A 110 10.170 -6.494 25.202 1.00 0.00 N ATOM 1675 CA THR A 110 10.287 -7.888 25.608 1.00 0.00 C ATOM 1676 C THR A 110 9.324 -8.772 24.824 1.00 0.00 C ATOM 1677 O THR A 110 8.107 -8.613 24.913 1.00 0.00 O ATOM 1678 CB THR A 110 10.013 -8.060 27.114 1.00 0.00 C ATOM 1679 OG1 THR A 110 10.714 -7.057 27.858 1.00 0.00 O ATOM 1680 CG2 THR A 110 10.440 -9.441 27.588 1.00 0.00 C ATOM 0 H THR A 110 9.557 -5.933 25.794 1.00 0.00 H new ATOM 0 HA THR A 110 11.311 -8.194 25.395 1.00 0.00 H new ATOM 0 HB THR A 110 8.941 -7.952 27.280 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.533 -7.173 28.814 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.237 -9.539 28.654 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.883 -10.202 27.041 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.507 -9.574 27.408 1.00 0.00 H new ATOM 1688 N VAL A 111 9.877 -9.705 24.055 1.00 0.00 N ATOM 1689 CA VAL A 111 9.066 -10.616 23.255 1.00 0.00 C ATOM 1690 C VAL A 111 9.435 -12.068 23.535 1.00 0.00 C ATOM 1691 O VAL A 111 10.605 -12.395 23.734 1.00 0.00 O ATOM 1692 CB VAL A 111 9.229 -10.337 21.749 1.00 0.00 C ATOM 1693 CG1 VAL A 111 8.451 -11.356 20.930 1.00 0.00 C ATOM 1694 CG2 VAL A 111 8.781 -8.921 21.418 1.00 0.00 C ATOM 0 H VAL A 111 10.883 -9.850 23.969 1.00 0.00 H new ATOM 0 HA VAL A 111 8.027 -10.447 23.537 1.00 0.00 H new ATOM 0 HB VAL A 111 10.284 -10.429 21.492 1.00 0.00 H new ATOM 0 HG11 VAL A 111 8.578 -11.143 19.869 1.00 0.00 H new ATOM 0 HG12 VAL A 111 8.823 -12.357 21.146 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.393 -11.299 21.188 1.00 0.00 H new ATOM 0 HG21 VAL A 111 8.903 -8.741 20.350 1.00 0.00 H new ATOM 0 HG22 VAL A 111 7.732 -8.798 21.689 1.00 0.00 H new ATOM 0 HG23 VAL A 111 9.386 -8.208 21.978 1.00 0.00 H new ATOM 1704 N ILE A 112 8.429 -12.936 23.548 1.00 0.00 N ATOM 1705 CA ILE A 112 8.647 -14.355 23.801 1.00 0.00 C ATOM 1706 C ILE A 112 8.352 -15.187 22.558 1.00 0.00 C ATOM 1707 O ILE A 112 7.238 -15.672 22.356 1.00 0.00 O ATOM 1708 CB ILE A 112 7.772 -14.860 24.964 1.00 0.00 C ATOM 1709 CG1 ILE A 112 7.949 -13.963 26.191 1.00 0.00 C ATOM 1710 CG2 ILE A 112 8.120 -16.302 25.300 1.00 0.00 C ATOM 1711 CD1 ILE A 112 9.383 -13.853 26.658 1.00 0.00 C ATOM 0 H ILE A 112 7.455 -12.681 23.386 1.00 0.00 H new ATOM 0 HA ILE A 112 9.697 -14.470 24.071 1.00 0.00 H new ATOM 0 HB ILE A 112 6.727 -14.821 24.657 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.574 -12.966 25.959 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.339 -14.352 27.006 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.494 -16.645 26.124 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.948 -16.931 24.427 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.169 -16.365 25.591 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.432 -13.202 27.531 1.00 0.00 H new ATOM 0 HD12 ILE A 112 9.757 -14.842 26.922 1.00 0.00 H new ATOM 0 HD13 ILE A 112 9.995 -13.435 25.859 1.00 0.00 H new ATOM 1723 N PRO A 113 9.372 -15.359 21.705 1.00 0.00 N ATOM 1724 CA PRO A 113 9.248 -16.135 20.468 1.00 0.00 C ATOM 1725 C PRO A 113 9.090 -17.629 20.734 1.00 0.00 C ATOM 1726 O PRO A 113 9.854 -18.215 21.500 1.00 0.00 O ATOM 1727 CB PRO A 113 10.566 -15.858 19.741 1.00 0.00 C ATOM 1728 CG PRO A 113 11.529 -15.511 20.823 1.00 0.00 C ATOM 1729 CD PRO A 113 10.727 -14.809 21.883 1.00 0.00 C ATOM 0 HA PRO A 113 8.363 -15.853 19.897 1.00 0.00 H new ATOM 0 HB2 PRO A 113 10.899 -16.731 19.179 1.00 0.00 H new ATOM 0 HB3 PRO A 113 10.461 -15.041 19.028 1.00 0.00 H new ATOM 0 HG2 PRO A 113 12.005 -16.406 21.223 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.324 -14.868 20.446 1.00 0.00 H new ATOM 0 HD2 PRO A 113 11.115 -15.012 22.881 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.743 -13.727 21.749 1.00 0.00 H new ATOM 1737 N GLU A 114 8.095 -18.237 20.096 1.00 0.00 N ATOM 1738 CA GLU A 114 7.838 -19.662 20.266 1.00 0.00 C ATOM 1739 C GLU A 114 8.610 -20.480 19.234 1.00 0.00 C ATOM 1740 O GLU A 114 8.713 -20.092 18.071 1.00 0.00 O ATOM 1741 CB GLU A 114 6.341 -19.951 20.145 1.00 0.00 C ATOM 1742 CG GLU A 114 5.469 -18.981 20.924 1.00 0.00 C ATOM 1743 CD GLU A 114 4.009 -19.391 20.940 1.00 0.00 C ATOM 1744 OE1 GLU A 114 3.355 -19.302 19.880 1.00 0.00 O ATOM 1745 OE2 GLU A 114 3.521 -19.802 22.014 1.00 0.00 O ATOM 0 H GLU A 114 7.454 -17.766 19.457 1.00 0.00 H new ATOM 0 HA GLU A 114 8.177 -19.950 21.261 1.00 0.00 H new ATOM 0 HB2 GLU A 114 6.057 -19.918 19.093 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.146 -20.964 20.496 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.834 -18.913 21.949 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.558 -17.987 20.487 1.00 0.00 H new