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= -0.139 X(o=-0.14,f=-0.43) USER MOD Single : A 19 LYS NZ :NH3+ -136:sc= 0.192 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -131:sc= -0.288 (180deg=-6.32!) USER MOD Single : A 26 MET CE :methyl -143:sc= -1.81 (180deg=-4.95!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.368 USER MOD Single : A 30 SER OG : rot 180:sc= 0.00833 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+ 166:sc=-0.000156 (180deg=-0.0913) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 HIS : no HD1:sc= -0.386 X(o=-0.39,f=-0.016) USER MOD Single : A 48 SER OG : rot 180:sc= -0.28 USER MOD Single : A 59 THR OG1 : rot -130:sc= 1.19 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0651 USER MOD Single : A 76 ASN :FLIP amide:sc= -0.1 F(o=-0.67,f=-0.1) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=-0.09) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot -47:sc= 1.03 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0322 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 MET CE :methyl 169:sc= -2.2 (180deg=-2.37) USER MOD Single : A 104 ASN : amide:sc= -1.46 X(o=-1.5,f=-1.1) USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 255 N LYS A 19 12.203 -20.098 15.547 1.00 0.00 N ATOM 256 CA LYS A 19 11.201 -19.304 16.248 1.00 0.00 C ATOM 257 C LYS A 19 10.477 -18.368 15.285 1.00 0.00 C ATOM 258 O LYS A 19 10.930 -18.146 14.162 1.00 0.00 O ATOM 259 CB LYS A 19 11.855 -18.493 17.369 1.00 0.00 C ATOM 260 CG LYS A 19 11.835 -19.193 18.717 1.00 0.00 C ATOM 261 CD LYS A 19 12.894 -20.279 18.797 1.00 0.00 C ATOM 262 CE LYS A 19 13.681 -20.196 20.097 1.00 0.00 C ATOM 263 NZ LYS A 19 14.576 -21.371 20.280 1.00 0.00 N ATOM 0 HA LYS A 19 10.471 -19.987 16.681 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.888 -18.278 17.096 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.343 -17.535 17.459 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.000 -18.463 19.509 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.851 -19.630 18.887 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.420 -21.257 18.719 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.576 -20.187 17.951 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.275 -19.282 20.104 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.989 -20.132 20.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.507 -21.710 21.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.289 -22.130 19.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.558 -21.094 20.077 1.00 0.00 H new ATOM 277 N TYR A 20 9.353 -17.820 15.733 1.00 0.00 N ATOM 278 CA TYR A 20 8.567 -16.908 14.910 1.00 0.00 C ATOM 279 C TYR A 20 7.833 -15.888 15.776 1.00 0.00 C ATOM 280 O TYR A 20 7.491 -16.166 16.926 1.00 0.00 O ATOM 281 CB TYR A 20 7.562 -17.690 14.062 1.00 0.00 C ATOM 282 CG TYR A 20 6.171 -17.727 14.653 1.00 0.00 C ATOM 283 CD1 TYR A 20 5.851 -18.612 15.674 1.00 0.00 C ATOM 284 CD2 TYR A 20 5.176 -16.875 14.189 1.00 0.00 C ATOM 285 CE1 TYR A 20 4.581 -18.649 16.216 1.00 0.00 C ATOM 286 CE2 TYR A 20 3.903 -16.905 14.725 1.00 0.00 C ATOM 287 CZ TYR A 20 3.610 -17.794 15.738 1.00 0.00 C ATOM 288 OH TYR A 20 2.344 -17.827 16.276 1.00 0.00 O ATOM 0 H TYR A 20 8.966 -17.991 16.661 1.00 0.00 H new ATOM 0 HA TYR A 20 9.251 -16.373 14.251 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.514 -17.245 13.068 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.922 -18.711 13.937 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.608 -19.283 16.051 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.402 -16.178 13.396 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.350 -19.344 17.010 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.141 -16.236 14.353 1.00 0.00 H new ATOM 0 HH TYR A 20 1.781 -17.161 15.829 1.00 0.00 H new ATOM 298 N ILE A 21 7.596 -14.708 15.215 1.00 0.00 N ATOM 299 CA ILE A 21 6.902 -13.646 15.933 1.00 0.00 C ATOM 300 C ILE A 21 6.084 -12.781 14.981 1.00 0.00 C ATOM 301 O ILE A 21 5.670 -11.676 15.330 1.00 0.00 O ATOM 302 CB ILE A 21 7.889 -12.750 16.704 1.00 0.00 C ATOM 303 CG1 ILE A 21 8.937 -12.171 15.751 1.00 0.00 C ATOM 304 CG2 ILE A 21 8.558 -13.537 17.821 1.00 0.00 C ATOM 305 CD1 ILE A 21 9.769 -11.068 16.366 1.00 0.00 C ATOM 0 H ILE A 21 7.874 -14.463 14.265 1.00 0.00 H new ATOM 0 HA ILE A 21 6.233 -14.131 16.644 1.00 0.00 H new ATOM 0 HB ILE A 21 7.335 -11.924 17.150 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.598 -12.972 15.420 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.435 -11.785 14.864 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.253 -12.890 18.357 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.799 -13.905 18.512 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.102 -14.381 17.396 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.490 -10.705 15.634 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.118 -10.249 16.671 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.299 -11.454 17.237 1.00 0.00 H new ATOM 317 N GLY A 22 5.853 -13.293 13.776 1.00 0.00 N ATOM 318 CA GLY A 22 5.083 -12.554 12.791 1.00 0.00 C ATOM 319 C GLY A 22 5.559 -11.123 12.639 1.00 0.00 C ATOM 320 O GLY A 22 4.941 -10.197 13.166 1.00 0.00 O ATOM 0 H GLY A 22 6.185 -14.206 13.464 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.149 -13.060 11.828 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.032 -12.555 13.080 1.00 0.00 H new ATOM 324 N ILE A 23 6.660 -10.941 11.917 1.00 0.00 N ATOM 325 CA ILE A 23 7.217 -9.612 11.698 1.00 0.00 C ATOM 326 C ILE A 23 7.949 -9.537 10.362 1.00 0.00 C ATOM 327 O ILE A 23 8.704 -10.441 10.004 1.00 0.00 O ATOM 328 CB ILE A 23 8.189 -9.216 12.825 1.00 0.00 C ATOM 329 CG1 ILE A 23 9.398 -10.153 12.839 1.00 0.00 C ATOM 330 CG2 ILE A 23 7.478 -9.241 14.170 1.00 0.00 C ATOM 331 CD1 ILE A 23 10.652 -9.530 12.266 1.00 0.00 C ATOM 0 H ILE A 23 7.183 -11.696 11.474 1.00 0.00 H new ATOM 0 HA ILE A 23 6.379 -8.916 11.691 1.00 0.00 H new ATOM 0 HB ILE A 23 8.542 -8.201 12.640 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.593 -10.466 13.865 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.157 -11.052 12.272 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.178 -8.959 14.957 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.646 -8.537 14.155 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.100 -10.245 14.363 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.468 -10.251 12.308 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.475 -9.243 11.230 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.918 -8.647 12.847 1.00 0.00 H new ATOM 343 N ARG A 24 7.721 -8.452 9.629 1.00 0.00 N ATOM 344 CA ARG A 24 8.359 -8.257 8.333 1.00 0.00 C ATOM 345 C ARG A 24 9.365 -7.112 8.388 1.00 0.00 C ATOM 346 O ARG A 24 9.044 -6.012 8.838 1.00 0.00 O ATOM 347 CB ARG A 24 7.306 -7.974 7.260 1.00 0.00 C ATOM 348 CG ARG A 24 6.298 -9.098 7.084 1.00 0.00 C ATOM 349 CD ARG A 24 5.547 -8.972 5.767 1.00 0.00 C ATOM 350 NE ARG A 24 4.908 -10.227 5.380 1.00 0.00 N ATOM 351 CZ ARG A 24 4.117 -10.352 4.320 1.00 0.00 C ATOM 352 NH1 ARG A 24 3.869 -9.304 3.546 1.00 0.00 N ATOM 353 NH2 ARG A 24 3.572 -11.527 4.032 1.00 0.00 N ATOM 0 H ARG A 24 7.099 -7.694 9.911 1.00 0.00 H new ATOM 0 HA ARG A 24 8.892 -9.173 8.077 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.775 -7.058 7.517 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.808 -7.795 6.309 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.812 -10.058 7.120 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.589 -9.085 7.911 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.791 -8.192 5.854 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.238 -8.660 4.984 1.00 0.00 H new ATOM 0 HE ARG A 24 5.078 -11.052 5.955 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.286 -8.399 3.764 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.261 -9.403 2.733 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.760 -12.335 4.625 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.965 -11.622 3.218 1.00 0.00 H new ATOM 367 N MET A 25 10.583 -7.378 7.928 1.00 0.00 N ATOM 368 CA MET A 25 11.636 -6.369 7.925 1.00 0.00 C ATOM 369 C MET A 25 12.488 -6.477 6.664 1.00 0.00 C ATOM 370 O MET A 25 12.574 -7.541 6.051 1.00 0.00 O ATOM 371 CB MET A 25 12.518 -6.518 9.166 1.00 0.00 C ATOM 372 CG MET A 25 11.731 -6.726 10.449 1.00 0.00 C ATOM 373 SD MET A 25 12.791 -6.831 11.904 1.00 0.00 S ATOM 374 CE MET A 25 13.649 -8.371 11.588 1.00 0.00 C ATOM 0 H MET A 25 10.865 -8.283 7.553 1.00 0.00 H new ATOM 0 HA MET A 25 11.164 -5.386 7.940 1.00 0.00 H new ATOM 0 HB2 MET A 25 13.193 -7.362 9.023 1.00 0.00 H new ATOM 0 HB3 MET A 25 13.138 -5.628 9.270 1.00 0.00 H new ATOM 0 HG2 MET A 25 11.027 -5.904 10.576 1.00 0.00 H new ATOM 0 HG3 MET A 25 11.143 -7.640 10.366 1.00 0.00 H new ATOM 0 HE1 MET A 25 13.608 -8.999 12.478 1.00 0.00 H new ATOM 0 HE2 MET A 25 13.172 -8.889 10.756 1.00 0.00 H new ATOM 0 HE3 MET A 25 14.689 -8.163 11.338 1.00 0.00 H new ATOM 384 N MET A 26 13.117 -5.370 6.284 1.00 0.00 N ATOM 385 CA MET A 26 13.964 -5.342 5.097 1.00 0.00 C ATOM 386 C MET A 26 15.345 -4.784 5.427 1.00 0.00 C ATOM 387 O MET A 26 15.470 -3.810 6.169 1.00 0.00 O ATOM 388 CB MET A 26 13.311 -4.501 3.998 1.00 0.00 C ATOM 389 CG MET A 26 13.149 -3.036 4.369 1.00 0.00 C ATOM 390 SD MET A 26 14.046 -1.935 3.259 1.00 0.00 S ATOM 391 CE MET A 26 13.469 -0.337 3.827 1.00 0.00 C ATOM 0 H MET A 26 13.056 -4.481 6.780 1.00 0.00 H new ATOM 0 HA MET A 26 14.081 -6.365 4.741 1.00 0.00 H new ATOM 0 HB2 MET A 26 13.912 -4.573 3.091 1.00 0.00 H new ATOM 0 HB3 MET A 26 12.331 -4.919 3.766 1.00 0.00 H new ATOM 0 HG2 MET A 26 12.090 -2.777 4.355 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.501 -2.883 5.389 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.351 0.331 2.974 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.510 -0.455 4.332 1.00 0.00 H new ATOM 0 HE3 MET A 26 14.195 0.086 4.521 1.00 0.00 H new ATOM 401 N SER A 27 16.378 -5.409 4.872 1.00 0.00 N ATOM 402 CA SER A 27 17.751 -4.977 5.111 1.00 0.00 C ATOM 403 C SER A 27 17.906 -3.485 4.834 1.00 0.00 C ATOM 404 O SER A 27 17.873 -3.048 3.683 1.00 0.00 O ATOM 405 CB SER A 27 18.718 -5.774 4.234 1.00 0.00 C ATOM 406 OG SER A 27 19.567 -6.590 5.022 1.00 0.00 O ATOM 0 H SER A 27 16.291 -6.216 4.254 1.00 0.00 H new ATOM 0 HA SER A 27 17.987 -5.161 6.159 1.00 0.00 H new ATOM 0 HB2 SER A 27 18.155 -6.396 3.538 1.00 0.00 H new ATOM 0 HB3 SER A 27 19.319 -5.090 3.635 1.00 0.00 H new ATOM 0 HG SER A 27 20.174 -7.090 4.438 1.00 0.00 H new ATOM 412 N LEU A 28 18.076 -2.707 5.898 1.00 0.00 N ATOM 413 CA LEU A 28 18.238 -1.263 5.772 1.00 0.00 C ATOM 414 C LEU A 28 19.567 -0.919 5.107 1.00 0.00 C ATOM 415 O LEU A 28 20.557 -1.633 5.268 1.00 0.00 O ATOM 416 CB LEU A 28 18.156 -0.599 7.147 1.00 0.00 C ATOM 417 CG LEU A 28 17.037 0.427 7.332 1.00 0.00 C ATOM 418 CD1 LEU A 28 17.029 0.956 8.758 1.00 0.00 C ATOM 419 CD2 LEU A 28 17.191 1.569 6.338 1.00 0.00 C ATOM 0 H LEU A 28 18.105 -3.052 6.857 1.00 0.00 H new ATOM 0 HA LEU A 28 17.431 -0.886 5.144 1.00 0.00 H new ATOM 0 HB2 LEU A 28 18.034 -1.379 7.898 1.00 0.00 H new ATOM 0 HB3 LEU A 28 19.108 -0.108 7.349 1.00 0.00 H new ATOM 0 HG LEU A 28 16.083 -0.066 7.144 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.226 1.685 8.871 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.870 0.130 9.452 1.00 0.00 H new ATOM 0 HD13 LEU A 28 17.985 1.433 8.975 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.386 2.290 6.484 1.00 0.00 H new ATOM 0 HD22 LEU A 28 18.151 2.061 6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 28 17.146 1.176 5.322 1.00 0.00 H new ATOM 431 N THR A 29 19.582 0.180 4.359 1.00 0.00 N ATOM 432 CA THR A 29 20.789 0.619 3.671 1.00 0.00 C ATOM 433 C THR A 29 21.109 2.074 3.996 1.00 0.00 C ATOM 434 O THR A 29 20.262 2.807 4.506 1.00 0.00 O ATOM 435 CB THR A 29 20.653 0.464 2.144 1.00 0.00 C ATOM 436 OG1 THR A 29 19.747 1.447 1.631 1.00 0.00 O ATOM 437 CG2 THR A 29 20.156 -0.928 1.784 1.00 0.00 C ATOM 0 H THR A 29 18.771 0.782 4.215 1.00 0.00 H new ATOM 0 HA THR A 29 21.602 -0.016 4.023 1.00 0.00 H new ATOM 0 HB THR A 29 21.637 0.608 1.697 1.00 0.00 H new ATOM 0 HG1 THR A 29 19.667 1.343 0.660 1.00 0.00 H new ATOM 0 HG21 THR A 29 20.068 -1.014 0.701 1.00 0.00 H new ATOM 0 HG22 THR A 29 20.862 -1.673 2.151 1.00 0.00 H new ATOM 0 HG23 THR A 29 19.181 -1.096 2.242 1.00 0.00 H new ATOM 445 N SER A 30 22.337 2.486 3.696 1.00 0.00 N ATOM 446 CA SER A 30 22.769 3.853 3.960 1.00 0.00 C ATOM 447 C SER A 30 21.839 4.857 3.285 1.00 0.00 C ATOM 448 O SER A 30 21.449 5.859 3.885 1.00 0.00 O ATOM 449 CB SER A 30 24.203 4.061 3.469 1.00 0.00 C ATOM 450 OG SER A 30 24.403 3.449 2.206 1.00 0.00 O ATOM 0 H SER A 30 23.049 1.893 3.270 1.00 0.00 H new ATOM 0 HA SER A 30 22.733 4.017 5.037 1.00 0.00 H new ATOM 0 HB2 SER A 30 24.415 5.128 3.398 1.00 0.00 H new ATOM 0 HB3 SER A 30 24.903 3.645 4.193 1.00 0.00 H new ATOM 0 HG SER A 30 25.326 3.597 1.913 1.00 0.00 H new ATOM 456 N SER A 31 21.487 4.581 2.034 1.00 0.00 N ATOM 457 CA SER A 31 20.606 5.460 1.275 1.00 0.00 C ATOM 458 C SER A 31 19.166 5.339 1.763 1.00 0.00 C ATOM 459 O SER A 31 18.510 6.339 2.056 1.00 0.00 O ATOM 460 CB SER A 31 20.681 5.129 -0.217 1.00 0.00 C ATOM 461 OG SER A 31 19.693 5.836 -0.946 1.00 0.00 O ATOM 0 H SER A 31 21.799 3.755 1.524 1.00 0.00 H new ATOM 0 HA SER A 31 20.938 6.487 1.429 1.00 0.00 H new ATOM 0 HB2 SER A 31 21.670 5.381 -0.600 1.00 0.00 H new ATOM 0 HB3 SER A 31 20.547 4.057 -0.362 1.00 0.00 H new ATOM 0 HG SER A 31 19.763 5.609 -1.897 1.00 0.00 H new ATOM 467 N LYS A 32 18.678 4.106 1.848 1.00 0.00 N ATOM 468 CA LYS A 32 17.316 3.850 2.301 1.00 0.00 C ATOM 469 C LYS A 32 17.058 4.515 3.649 1.00 0.00 C ATOM 470 O LYS A 32 15.981 5.060 3.887 1.00 0.00 O ATOM 471 CB LYS A 32 17.066 2.344 2.407 1.00 0.00 C ATOM 472 CG LYS A 32 15.647 1.990 2.815 1.00 0.00 C ATOM 473 CD LYS A 32 14.650 2.331 1.720 1.00 0.00 C ATOM 474 CE LYS A 32 14.635 1.270 0.630 1.00 0.00 C ATOM 475 NZ LYS A 32 14.010 1.773 -0.625 1.00 0.00 N ATOM 0 H LYS A 32 19.207 3.267 1.609 1.00 0.00 H new ATOM 0 HA LYS A 32 16.630 4.275 1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.285 1.879 1.446 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.760 1.919 3.132 1.00 0.00 H new ATOM 0 HG2 LYS A 32 15.588 0.926 3.043 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.385 2.527 3.727 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.653 2.426 2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.903 3.298 1.285 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.655 0.947 0.423 1.00 0.00 H new ATOM 0 HE3 LYS A 32 14.089 0.395 0.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.019 1.021 -1.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 13.028 2.058 -0.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.546 2.592 -0.976 1.00 0.00 H new ATOM 489 N ALA A 33 18.054 4.467 4.528 1.00 0.00 N ATOM 490 CA ALA A 33 17.935 5.067 5.851 1.00 0.00 C ATOM 491 C ALA A 33 17.784 6.582 5.755 1.00 0.00 C ATOM 492 O ALA A 33 16.771 7.143 6.171 1.00 0.00 O ATOM 493 CB ALA A 33 19.142 4.708 6.704 1.00 0.00 C ATOM 0 H ALA A 33 18.952 4.019 4.347 1.00 0.00 H new ATOM 0 HA ALA A 33 17.038 4.668 6.325 1.00 0.00 H new ATOM 0 HB1 ALA A 33 19.040 5.163 7.689 1.00 0.00 H new ATOM 0 HB2 ALA A 33 19.204 3.625 6.809 1.00 0.00 H new ATOM 0 HB3 ALA A 33 20.049 5.079 6.226 1.00 0.00 H new ATOM 499 N LYS A 34 18.799 7.239 5.204 1.00 0.00 N ATOM 500 CA LYS A 34 18.780 8.689 5.052 1.00 0.00 C ATOM 501 C LYS A 34 17.552 9.138 4.268 1.00 0.00 C ATOM 502 O LYS A 34 17.085 10.266 4.421 1.00 0.00 O ATOM 503 CB LYS A 34 20.052 9.165 4.345 1.00 0.00 C ATOM 504 CG LYS A 34 20.969 9.989 5.231 1.00 0.00 C ATOM 505 CD LYS A 34 22.105 9.149 5.792 1.00 0.00 C ATOM 506 CE LYS A 34 23.252 9.031 4.800 1.00 0.00 C ATOM 507 NZ LYS A 34 24.035 10.294 4.704 1.00 0.00 N ATOM 0 H LYS A 34 19.646 6.790 4.855 1.00 0.00 H new ATOM 0 HA LYS A 34 18.736 9.133 6.047 1.00 0.00 H new ATOM 0 HB2 LYS A 34 20.600 8.297 3.977 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.773 9.758 3.474 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.379 10.821 4.658 1.00 0.00 H new ATOM 0 HG3 LYS A 34 20.394 10.419 6.051 1.00 0.00 H new ATOM 0 HD2 LYS A 34 22.467 9.596 6.718 1.00 0.00 H new ATOM 0 HD3 LYS A 34 21.735 8.155 6.042 1.00 0.00 H new ATOM 0 HE2 LYS A 34 23.911 8.217 5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 34 22.857 8.773 3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 24.932 10.110 4.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 23.488 11.002 4.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 24.232 10.654 5.660 1.00 0.00 H new ATOM 521 N GLU A 35 17.032 8.247 3.429 1.00 0.00 N ATOM 522 CA GLU A 35 15.857 8.553 2.622 1.00 0.00 C ATOM 523 C GLU A 35 14.575 8.279 3.402 1.00 0.00 C ATOM 524 O GLU A 35 13.517 8.831 3.095 1.00 0.00 O ATOM 525 CB GLU A 35 15.868 7.730 1.332 1.00 0.00 C ATOM 526 CG GLU A 35 16.884 8.212 0.310 1.00 0.00 C ATOM 527 CD GLU A 35 16.622 9.634 -0.146 1.00 0.00 C ATOM 528 OE1 GLU A 35 15.502 10.135 0.085 1.00 0.00 O ATOM 529 OE2 GLU A 35 17.538 10.246 -0.734 1.00 0.00 O ATOM 0 H GLU A 35 17.406 7.308 3.291 1.00 0.00 H new ATOM 0 HA GLU A 35 15.888 9.613 2.369 1.00 0.00 H new ATOM 0 HB2 GLU A 35 16.078 6.689 1.577 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.874 7.758 0.885 1.00 0.00 H new ATOM 0 HG2 GLU A 35 17.884 8.151 0.740 1.00 0.00 H new ATOM 0 HG3 GLU A 35 16.867 7.548 -0.554 1.00 0.00 H new ATOM 536 N LEU A 36 14.676 7.422 4.413 1.00 0.00 N ATOM 537 CA LEU A 36 13.525 7.073 5.238 1.00 0.00 C ATOM 538 C LEU A 36 13.164 8.217 6.181 1.00 0.00 C ATOM 539 O LEU A 36 11.996 8.415 6.515 1.00 0.00 O ATOM 540 CB LEU A 36 13.816 5.806 6.044 1.00 0.00 C ATOM 541 CG LEU A 36 13.410 4.485 5.387 1.00 0.00 C ATOM 542 CD1 LEU A 36 13.967 3.307 6.171 1.00 0.00 C ATOM 543 CD2 LEU A 36 11.896 4.388 5.277 1.00 0.00 C ATOM 0 H LEU A 36 15.543 6.956 4.681 1.00 0.00 H new ATOM 0 HA LEU A 36 12.678 6.890 4.577 1.00 0.00 H new ATOM 0 HB2 LEU A 36 14.885 5.771 6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.305 5.884 7.003 1.00 0.00 H new ATOM 0 HG LEU A 36 13.829 4.456 4.381 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.668 2.376 5.690 1.00 0.00 H new ATOM 0 HD12 LEU A 36 15.055 3.369 6.197 1.00 0.00 H new ATOM 0 HD13 LEU A 36 13.577 3.330 7.189 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.625 3.442 4.807 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.455 4.438 6.272 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.521 5.214 4.672 1.00 0.00 H new ATOM 555 N LYS A 37 14.174 8.968 6.605 1.00 0.00 N ATOM 556 CA LYS A 37 13.965 10.095 7.507 1.00 0.00 C ATOM 557 C LYS A 37 13.292 11.255 6.780 1.00 0.00 C ATOM 558 O LYS A 37 12.258 11.759 7.220 1.00 0.00 O ATOM 559 CB LYS A 37 15.298 10.555 8.099 1.00 0.00 C ATOM 560 CG LYS A 37 15.309 10.590 9.618 1.00 0.00 C ATOM 561 CD LYS A 37 14.180 11.448 10.164 1.00 0.00 C ATOM 562 CE LYS A 37 14.704 12.542 11.081 1.00 0.00 C ATOM 563 NZ LYS A 37 13.945 13.813 10.918 1.00 0.00 N ATOM 0 H LYS A 37 15.147 8.817 6.338 1.00 0.00 H new ATOM 0 HA LYS A 37 13.311 9.766 8.314 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.089 9.889 7.753 1.00 0.00 H new ATOM 0 HB3 LYS A 37 15.531 11.550 7.719 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.217 9.576 10.007 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.265 10.980 9.967 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.631 11.897 9.337 1.00 0.00 H new ATOM 0 HD3 LYS A 37 13.476 10.820 10.710 1.00 0.00 H new ATOM 0 HE2 LYS A 37 14.638 12.210 12.117 1.00 0.00 H new ATOM 0 HE3 LYS A 37 15.759 12.719 10.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 14.333 14.534 11.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.029 14.144 9.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.943 13.650 11.144 1.00 0.00 H new ATOM 577 N ASP A 38 13.883 11.673 5.667 1.00 0.00 N ATOM 578 CA ASP A 38 13.339 12.772 4.878 1.00 0.00 C ATOM 579 C ASP A 38 11.867 12.533 4.557 1.00 0.00 C ATOM 580 O ASP A 38 11.053 13.456 4.608 1.00 0.00 O ATOM 581 CB ASP A 38 14.135 12.941 3.583 1.00 0.00 C ATOM 582 CG ASP A 38 14.226 14.390 3.145 1.00 0.00 C ATOM 583 OD1 ASP A 38 14.557 15.247 3.992 1.00 0.00 O ATOM 584 OD2 ASP A 38 13.968 14.667 1.956 1.00 0.00 O ATOM 0 H ASP A 38 14.740 11.267 5.290 1.00 0.00 H new ATOM 0 HA ASP A 38 13.421 13.685 5.467 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.140 12.543 3.723 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.667 12.354 2.793 1.00 0.00 H new ATOM 589 N ARG A 39 11.533 11.291 4.225 1.00 0.00 N ATOM 590 CA ARG A 39 10.159 10.932 3.893 1.00 0.00 C ATOM 591 C ARG A 39 9.340 10.688 5.158 1.00 0.00 C ATOM 592 O ARG A 39 8.118 10.839 5.158 1.00 0.00 O ATOM 593 CB ARG A 39 10.135 9.684 3.009 1.00 0.00 C ATOM 594 CG ARG A 39 9.955 9.989 1.530 1.00 0.00 C ATOM 595 CD ARG A 39 9.966 8.719 0.694 1.00 0.00 C ATOM 596 NE ARG A 39 9.845 9.002 -0.733 1.00 0.00 N ATOM 597 CZ ARG A 39 9.495 8.092 -1.636 1.00 0.00 C ATOM 598 NH1 ARG A 39 9.234 6.847 -1.261 1.00 0.00 N ATOM 599 NH2 ARG A 39 9.406 8.427 -2.917 1.00 0.00 N ATOM 0 H ARG A 39 12.195 10.516 4.179 1.00 0.00 H new ATOM 0 HA ARG A 39 9.714 11.764 3.347 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.065 9.133 3.147 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.326 9.031 3.338 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.014 10.518 1.378 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.751 10.653 1.195 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.891 8.172 0.878 1.00 0.00 H new ATOM 0 HD3 ARG A 39 9.146 8.072 1.006 1.00 0.00 H new ATOM 0 HE ARG A 39 10.040 9.950 -1.055 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.302 6.586 -0.277 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.966 6.151 -1.956 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.606 9.384 -3.209 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.137 7.728 -3.609 1.00 0.00 H new ATOM 613 N HIS A 40 10.022 10.309 6.234 1.00 0.00 N ATOM 614 CA HIS A 40 9.358 10.044 7.505 1.00 0.00 C ATOM 615 C HIS A 40 10.065 10.766 8.648 1.00 0.00 C ATOM 616 O HIS A 40 11.104 10.316 9.132 1.00 0.00 O ATOM 617 CB HIS A 40 9.322 8.540 7.782 1.00 0.00 C ATOM 618 CG HIS A 40 8.884 7.725 6.604 1.00 0.00 C ATOM 619 ND1 HIS A 40 7.600 7.758 6.102 1.00 0.00 N ATOM 620 CD2 HIS A 40 9.568 6.852 5.828 1.00 0.00 C ATOM 621 CE1 HIS A 40 7.513 6.939 5.069 1.00 0.00 C ATOM 622 NE2 HIS A 40 8.694 6.378 4.881 1.00 0.00 N ATOM 0 H HIS A 40 11.033 10.179 6.251 1.00 0.00 H new ATOM 0 HA HIS A 40 8.337 10.419 7.438 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.314 8.212 8.092 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.648 8.349 8.617 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.608 6.579 5.934 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.627 6.759 4.479 1.00 0.00 H new ATOM 0 HE2 HIS A 40 8.920 5.702 4.151 1.00 0.00 H new ATOM 630 N ARG A 41 9.495 11.889 9.074 1.00 0.00 N ATOM 631 CA ARG A 41 10.072 12.674 10.159 1.00 0.00 C ATOM 632 C ARG A 41 10.087 11.877 11.460 1.00 0.00 C ATOM 633 O ARG A 41 11.030 11.968 12.245 1.00 0.00 O ATOM 634 CB ARG A 41 9.285 13.972 10.352 1.00 0.00 C ATOM 635 CG ARG A 41 7.835 13.750 10.751 1.00 0.00 C ATOM 636 CD ARG A 41 7.000 15.003 10.534 1.00 0.00 C ATOM 637 NE ARG A 41 6.021 15.199 11.600 1.00 0.00 N ATOM 638 CZ ARG A 41 4.974 16.010 11.496 1.00 0.00 C ATOM 639 NH1 ARG A 41 4.771 16.696 10.379 1.00 0.00 N ATOM 640 NH2 ARG A 41 4.127 16.135 12.509 1.00 0.00 N ATOM 0 H ARG A 41 8.635 12.275 8.685 1.00 0.00 H new ATOM 0 HA ARG A 41 11.100 12.917 9.891 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.776 14.574 11.117 1.00 0.00 H new ATOM 0 HB3 ARG A 41 9.315 14.546 9.426 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.418 12.928 10.169 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.786 13.455 11.799 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.657 15.871 10.480 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.484 14.934 9.576 1.00 0.00 H new ATOM 0 HE ARG A 41 6.148 14.685 12.472 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.420 16.601 9.597 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.966 17.318 10.302 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.279 15.608 13.369 1.00 0.00 H new ATOM 0 HH22 ARG A 41 3.323 16.758 12.428 1.00 0.00 H new ATOM 654 N ASP A 42 9.035 11.097 11.681 1.00 0.00 N ATOM 655 CA ASP A 42 8.926 10.283 12.886 1.00 0.00 C ATOM 656 C ASP A 42 10.180 9.437 13.085 1.00 0.00 C ATOM 657 O ASP A 42 10.559 9.127 14.215 1.00 0.00 O ATOM 658 CB ASP A 42 7.694 9.379 12.808 1.00 0.00 C ATOM 659 CG ASP A 42 7.112 9.076 14.174 1.00 0.00 C ATOM 660 OD1 ASP A 42 7.795 8.404 14.974 1.00 0.00 O ATOM 661 OD2 ASP A 42 5.971 9.509 14.443 1.00 0.00 O ATOM 0 H ASP A 42 8.245 11.011 11.041 1.00 0.00 H new ATOM 0 HA ASP A 42 8.822 10.954 13.739 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.934 9.858 12.190 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.963 8.445 12.315 1.00 0.00 H new ATOM 666 N PHE A 43 10.820 9.067 11.981 1.00 0.00 N ATOM 667 CA PHE A 43 12.030 8.256 12.035 1.00 0.00 C ATOM 668 C PHE A 43 13.058 8.873 12.979 1.00 0.00 C ATOM 669 O PHE A 43 13.276 10.085 12.993 1.00 0.00 O ATOM 670 CB PHE A 43 12.632 8.106 10.636 1.00 0.00 C ATOM 671 CG PHE A 43 13.210 6.745 10.374 1.00 0.00 C ATOM 672 CD1 PHE A 43 12.389 5.632 10.296 1.00 0.00 C ATOM 673 CD2 PHE A 43 14.576 6.579 10.205 1.00 0.00 C ATOM 674 CE1 PHE A 43 12.919 4.378 10.057 1.00 0.00 C ATOM 675 CE2 PHE A 43 15.111 5.327 9.965 1.00 0.00 C ATOM 676 CZ PHE A 43 14.282 4.226 9.890 1.00 0.00 C ATOM 0 H PHE A 43 10.521 9.316 11.038 1.00 0.00 H new ATOM 0 HA PHE A 43 11.759 7.271 12.415 1.00 0.00 H new ATOM 0 HB2 PHE A 43 11.861 8.314 9.894 1.00 0.00 H new ATOM 0 HB3 PHE A 43 13.413 8.855 10.503 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.323 5.745 10.423 1.00 0.00 H new ATOM 0 HD2 PHE A 43 15.229 7.437 10.261 1.00 0.00 H new ATOM 0 HE1 PHE A 43 12.268 3.518 10.001 1.00 0.00 H new ATOM 0 HE2 PHE A 43 16.177 5.211 9.836 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.698 3.247 9.701 1.00 0.00 H new ATOM 686 N PRO A 44 13.705 8.021 13.788 1.00 0.00 N ATOM 687 CA PRO A 44 14.720 8.459 14.750 1.00 0.00 C ATOM 688 C PRO A 44 15.998 8.936 14.068 1.00 0.00 C ATOM 689 O PRO A 44 16.042 9.087 12.847 1.00 0.00 O ATOM 690 CB PRO A 44 14.992 7.200 15.577 1.00 0.00 C ATOM 691 CG PRO A 44 14.633 6.070 14.675 1.00 0.00 C ATOM 692 CD PRO A 44 13.495 6.564 13.825 1.00 0.00 C ATOM 0 HA PRO A 44 14.380 9.309 15.342 1.00 0.00 H new ATOM 0 HB2 PRO A 44 16.037 7.146 15.883 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.392 7.187 16.487 1.00 0.00 H new ATOM 0 HG2 PRO A 44 15.483 5.778 14.058 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.339 5.191 15.249 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.521 6.129 12.826 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.528 6.308 14.259 1.00 0.00 H new ATOM 700 N ASP A 45 17.035 9.170 14.864 1.00 0.00 N ATOM 701 CA ASP A 45 18.316 9.627 14.337 1.00 0.00 C ATOM 702 C ASP A 45 19.266 8.453 14.123 1.00 0.00 C ATOM 703 O ASP A 45 20.438 8.514 14.496 1.00 0.00 O ATOM 704 CB ASP A 45 18.948 10.645 15.286 1.00 0.00 C ATOM 705 CG ASP A 45 20.030 11.469 14.615 1.00 0.00 C ATOM 706 OD1 ASP A 45 20.014 11.569 13.370 1.00 0.00 O ATOM 707 OD2 ASP A 45 20.892 12.015 15.335 1.00 0.00 O ATOM 0 H ASP A 45 17.014 9.051 15.877 1.00 0.00 H new ATOM 0 HA ASP A 45 18.135 10.104 13.374 1.00 0.00 H new ATOM 0 HB2 ASP A 45 18.174 11.310 15.669 1.00 0.00 H new ATOM 0 HB3 ASP A 45 19.372 10.123 16.144 1.00 0.00 H new ATOM 712 N VAL A 46 18.753 7.385 13.521 1.00 0.00 N ATOM 713 CA VAL A 46 19.556 6.197 13.257 1.00 0.00 C ATOM 714 C VAL A 46 19.489 5.804 11.786 1.00 0.00 C ATOM 715 O VAL A 46 18.590 6.228 11.060 1.00 0.00 O ATOM 716 CB VAL A 46 19.093 5.005 14.117 1.00 0.00 C ATOM 717 CG1 VAL A 46 19.100 5.376 15.592 1.00 0.00 C ATOM 718 CG2 VAL A 46 17.712 4.539 13.682 1.00 0.00 C ATOM 0 H VAL A 46 17.785 7.318 13.207 1.00 0.00 H new ATOM 0 HA VAL A 46 20.585 6.446 13.517 1.00 0.00 H new ATOM 0 HB VAL A 46 19.792 4.181 13.971 1.00 0.00 H new ATOM 0 HG11 VAL A 46 18.770 4.522 16.184 1.00 0.00 H new ATOM 0 HG12 VAL A 46 20.110 5.657 15.892 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.425 6.215 15.759 1.00 0.00 H new ATOM 0 HG21 VAL A 46 17.401 3.697 14.300 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.000 5.356 13.797 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.745 4.230 12.637 1.00 0.00 H new ATOM 728 N ILE A 47 20.446 4.990 11.353 1.00 0.00 N ATOM 729 CA ILE A 47 20.495 4.538 9.968 1.00 0.00 C ATOM 730 C ILE A 47 21.186 3.184 9.855 1.00 0.00 C ATOM 731 O ILE A 47 21.800 2.871 8.835 1.00 0.00 O ATOM 732 CB ILE A 47 21.230 5.552 9.071 1.00 0.00 C ATOM 733 CG1 ILE A 47 22.560 5.960 9.707 1.00 0.00 C ATOM 734 CG2 ILE A 47 20.357 6.774 8.828 1.00 0.00 C ATOM 735 CD1 ILE A 47 23.574 6.477 8.711 1.00 0.00 C ATOM 0 H ILE A 47 21.198 4.630 11.941 1.00 0.00 H new ATOM 0 HA ILE A 47 19.463 4.446 9.630 1.00 0.00 H new ATOM 0 HB ILE A 47 21.438 5.080 8.111 1.00 0.00 H new ATOM 0 HG12 ILE A 47 22.374 6.730 10.456 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.982 5.102 10.230 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.890 7.481 8.193 1.00 0.00 H new ATOM 0 HG22 ILE A 47 19.433 6.469 8.336 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.121 7.248 9.781 1.00 0.00 H new ATOM 0 HD11 ILE A 47 24.492 6.747 9.233 1.00 0.00 H new ATOM 0 HD12 ILE A 47 23.789 5.702 7.976 1.00 0.00 H new ATOM 0 HD13 ILE A 47 23.172 7.355 8.205 1.00 0.00 H new ATOM 747 N SER A 48 21.080 2.382 10.911 1.00 0.00 N ATOM 748 CA SER A 48 21.696 1.061 10.932 1.00 0.00 C ATOM 749 C SER A 48 20.981 0.144 11.919 1.00 0.00 C ATOM 750 O SER A 48 21.020 0.365 13.129 1.00 0.00 O ATOM 751 CB SER A 48 23.177 1.171 11.301 1.00 0.00 C ATOM 752 OG SER A 48 23.847 2.086 10.452 1.00 0.00 O ATOM 0 H SER A 48 20.573 2.625 11.762 1.00 0.00 H new ATOM 0 HA SER A 48 21.609 0.631 9.934 1.00 0.00 H new ATOM 0 HB2 SER A 48 23.274 1.494 12.338 1.00 0.00 H new ATOM 0 HB3 SER A 48 23.647 0.190 11.227 1.00 0.00 H new ATOM 0 HG SER A 48 24.791 2.140 10.709 1.00 0.00 H new ATOM 758 N GLY A 49 20.327 -0.888 11.393 1.00 0.00 N ATOM 759 CA GLY A 49 19.612 -1.824 12.241 1.00 0.00 C ATOM 760 C GLY A 49 18.566 -2.613 11.480 1.00 0.00 C ATOM 761 O GLY A 49 18.773 -2.975 10.322 1.00 0.00 O ATOM 0 H GLY A 49 20.280 -1.092 10.395 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.323 -2.514 12.696 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.132 -1.279 13.054 1.00 0.00 H new ATOM 765 N ALA A 50 17.440 -2.883 12.132 1.00 0.00 N ATOM 766 CA ALA A 50 16.358 -3.636 11.509 1.00 0.00 C ATOM 767 C ALA A 50 15.111 -2.772 11.348 1.00 0.00 C ATOM 768 O ALA A 50 14.526 -2.320 12.332 1.00 0.00 O ATOM 769 CB ALA A 50 16.040 -4.878 12.327 1.00 0.00 C ATOM 0 H ALA A 50 17.253 -2.592 13.091 1.00 0.00 H new ATOM 0 HA ALA A 50 16.686 -3.943 10.516 1.00 0.00 H new ATOM 0 HB1 ALA A 50 15.230 -5.430 11.850 1.00 0.00 H new ATOM 0 HB2 ALA A 50 16.925 -5.511 12.387 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.736 -4.584 13.332 1.00 0.00 H new ATOM 775 N TYR A 51 14.711 -2.547 10.102 1.00 0.00 N ATOM 776 CA TYR A 51 13.535 -1.735 9.812 1.00 0.00 C ATOM 777 C TYR A 51 12.283 -2.603 9.717 1.00 0.00 C ATOM 778 O TYR A 51 12.213 -3.523 8.902 1.00 0.00 O ATOM 779 CB TYR A 51 13.732 -0.961 8.507 1.00 0.00 C ATOM 780 CG TYR A 51 12.493 -0.231 8.043 1.00 0.00 C ATOM 781 CD1 TYR A 51 12.060 0.922 8.687 1.00 0.00 C ATOM 782 CD2 TYR A 51 11.754 -0.694 6.961 1.00 0.00 C ATOM 783 CE1 TYR A 51 10.927 1.592 8.267 1.00 0.00 C ATOM 784 CE2 TYR A 51 10.621 -0.029 6.533 1.00 0.00 C ATOM 785 CZ TYR A 51 10.212 1.113 7.189 1.00 0.00 C ATOM 786 OH TYR A 51 9.083 1.778 6.767 1.00 0.00 O ATOM 0 H TYR A 51 15.183 -2.915 9.276 1.00 0.00 H new ATOM 0 HA TYR A 51 13.404 -1.027 10.630 1.00 0.00 H new ATOM 0 HB2 TYR A 51 14.539 -0.241 8.640 1.00 0.00 H new ATOM 0 HB3 TYR A 51 14.048 -1.654 7.728 1.00 0.00 H new ATOM 0 HD1 TYR A 51 12.619 1.301 9.530 1.00 0.00 H new ATOM 0 HD2 TYR A 51 12.071 -1.589 6.446 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.603 2.486 8.780 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.059 -0.401 5.689 1.00 0.00 H new ATOM 0 HH TYR A 51 8.697 1.311 5.996 1.00 0.00 H new ATOM 796 N ILE A 52 11.298 -2.302 10.557 1.00 0.00 N ATOM 797 CA ILE A 52 10.049 -3.053 10.567 1.00 0.00 C ATOM 798 C ILE A 52 9.055 -2.479 9.563 1.00 0.00 C ATOM 799 O ILE A 52 8.652 -1.320 9.666 1.00 0.00 O ATOM 800 CB ILE A 52 9.405 -3.054 11.966 1.00 0.00 C ATOM 801 CG1 ILE A 52 10.367 -3.655 12.994 1.00 0.00 C ATOM 802 CG2 ILE A 52 8.094 -3.827 11.945 1.00 0.00 C ATOM 803 CD1 ILE A 52 9.811 -3.679 14.400 1.00 0.00 C ATOM 0 H ILE A 52 11.341 -1.544 11.238 1.00 0.00 H new ATOM 0 HA ILE A 52 10.294 -4.078 10.287 1.00 0.00 H new ATOM 0 HB ILE A 52 9.193 -2.024 12.253 1.00 0.00 H new ATOM 0 HG12 ILE A 52 10.618 -4.672 12.694 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.295 -3.083 12.989 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.651 -3.819 12.941 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.408 -3.360 11.239 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.283 -4.856 11.641 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.546 -4.118 15.075 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.587 -2.661 14.720 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.899 -4.275 14.420 1.00 0.00 H new ATOM 815 N ILE A 53 8.662 -3.299 8.594 1.00 0.00 N ATOM 816 CA ILE A 53 7.712 -2.874 7.573 1.00 0.00 C ATOM 817 C ILE A 53 6.279 -3.186 7.992 1.00 0.00 C ATOM 818 O ILE A 53 5.340 -2.506 7.580 1.00 0.00 O ATOM 819 CB ILE A 53 7.999 -3.552 6.220 1.00 0.00 C ATOM 820 CG1 ILE A 53 9.486 -3.445 5.877 1.00 0.00 C ATOM 821 CG2 ILE A 53 7.150 -2.927 5.124 1.00 0.00 C ATOM 822 CD1 ILE A 53 9.860 -4.142 4.587 1.00 0.00 C ATOM 0 H ILE A 53 8.986 -4.261 8.494 1.00 0.00 H new ATOM 0 HA ILE A 53 7.829 -1.796 7.462 1.00 0.00 H new ATOM 0 HB ILE A 53 7.738 -4.608 6.296 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.759 -2.392 5.804 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.070 -3.870 6.693 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.364 -3.417 4.174 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.094 -3.051 5.366 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.382 -1.865 5.045 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.929 -4.025 4.407 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.619 -5.202 4.663 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.302 -3.701 3.760 1.00 0.00 H new ATOM 834 N GLU A 54 6.120 -4.219 8.814 1.00 0.00 N ATOM 835 CA GLU A 54 4.801 -4.619 9.289 1.00 0.00 C ATOM 836 C GLU A 54 4.907 -5.775 10.280 1.00 0.00 C ATOM 837 O GLU A 54 5.648 -6.732 10.057 1.00 0.00 O ATOM 838 CB GLU A 54 3.911 -5.024 8.111 1.00 0.00 C ATOM 839 CG GLU A 54 2.568 -5.597 8.531 1.00 0.00 C ATOM 840 CD GLU A 54 1.441 -5.179 7.608 1.00 0.00 C ATOM 841 OE1 GLU A 54 1.713 -4.935 6.413 1.00 0.00 O ATOM 842 OE2 GLU A 54 0.288 -5.094 8.079 1.00 0.00 O ATOM 0 H GLU A 54 6.887 -4.793 9.164 1.00 0.00 H new ATOM 0 HA GLU A 54 4.353 -3.766 9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.743 -4.153 7.478 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.438 -5.762 7.505 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.632 -6.685 8.551 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.340 -5.272 9.546 1.00 0.00 H new ATOM 849 N VAL A 55 4.162 -5.677 11.376 1.00 0.00 N ATOM 850 CA VAL A 55 4.171 -6.714 12.402 1.00 0.00 C ATOM 851 C VAL A 55 2.851 -7.475 12.425 1.00 0.00 C ATOM 852 O VAL A 55 1.833 -6.960 12.889 1.00 0.00 O ATOM 853 CB VAL A 55 4.433 -6.119 13.798 1.00 0.00 C ATOM 854 CG1 VAL A 55 4.523 -7.223 14.841 1.00 0.00 C ATOM 855 CG2 VAL A 55 5.701 -5.278 13.789 1.00 0.00 C ATOM 0 H VAL A 55 3.544 -4.890 11.577 1.00 0.00 H new ATOM 0 HA VAL A 55 4.979 -7.402 12.151 1.00 0.00 H new ATOM 0 HB VAL A 55 3.597 -5.471 14.061 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.708 -6.783 15.821 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.586 -7.779 14.864 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.339 -7.899 14.586 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.871 -4.865 14.783 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.549 -5.901 13.505 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.593 -4.464 13.072 1.00 0.00 H new ATOM 865 N ILE A 56 2.874 -8.705 11.923 1.00 0.00 N ATOM 866 CA ILE A 56 1.679 -9.539 11.888 1.00 0.00 C ATOM 867 C ILE A 56 0.983 -9.557 13.245 1.00 0.00 C ATOM 868 O ILE A 56 1.613 -9.705 14.292 1.00 0.00 O ATOM 869 CB ILE A 56 2.013 -10.985 11.476 1.00 0.00 C ATOM 870 CG1 ILE A 56 2.760 -10.997 10.140 1.00 0.00 C ATOM 871 CG2 ILE A 56 0.743 -11.817 11.387 1.00 0.00 C ATOM 872 CD1 ILE A 56 2.030 -10.269 9.033 1.00 0.00 C ATOM 0 H ILE A 56 3.708 -9.146 11.535 1.00 0.00 H new ATOM 0 HA ILE A 56 1.011 -9.104 11.145 1.00 0.00 H new ATOM 0 HB ILE A 56 2.659 -11.425 12.236 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.741 -10.542 10.277 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.927 -12.030 9.836 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.996 -12.836 11.095 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.248 -11.830 12.358 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.074 -11.382 10.644 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.617 -10.318 8.116 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.060 -10.737 8.868 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.886 -9.226 9.316 1.00 0.00 H new ATOM 884 N PRO A 57 -0.350 -9.406 13.227 1.00 0.00 N ATOM 885 CA PRO A 57 -1.162 -9.404 14.448 1.00 0.00 C ATOM 886 C PRO A 57 -1.229 -10.780 15.101 1.00 0.00 C ATOM 887 O PRO A 57 -0.884 -11.788 14.485 1.00 0.00 O ATOM 888 CB PRO A 57 -2.547 -8.980 13.951 1.00 0.00 C ATOM 889 CG PRO A 57 -2.575 -9.382 12.517 1.00 0.00 C ATOM 890 CD PRO A 57 -1.166 -9.225 12.015 1.00 0.00 C ATOM 0 HA PRO A 57 -0.748 -8.746 15.212 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.338 -9.473 14.516 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.696 -7.906 14.064 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.916 -10.411 12.407 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.263 -8.756 11.950 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.925 -9.967 11.254 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.006 -8.245 11.566 1.00 0.00 H new ATOM 898 N ASP A 58 -1.675 -10.814 16.352 1.00 0.00 N ATOM 899 CA ASP A 58 -1.789 -12.067 17.089 1.00 0.00 C ATOM 900 C ASP A 58 -0.417 -12.702 17.297 1.00 0.00 C ATOM 901 O ASP A 58 -0.299 -13.919 17.441 1.00 0.00 O ATOM 902 CB ASP A 58 -2.707 -13.039 16.346 1.00 0.00 C ATOM 903 CG ASP A 58 -3.276 -14.109 17.257 1.00 0.00 C ATOM 904 OD1 ASP A 58 -3.605 -13.786 18.418 1.00 0.00 O ATOM 905 OD2 ASP A 58 -3.392 -15.270 16.810 1.00 0.00 O ATOM 0 H ASP A 58 -1.963 -9.988 16.877 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.220 -11.847 18.066 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.525 -12.483 15.888 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.151 -13.513 15.537 1.00 0.00 H new ATOM 910 N THR A 59 0.619 -11.869 17.311 1.00 0.00 N ATOM 911 CA THR A 59 1.982 -12.348 17.499 1.00 0.00 C ATOM 912 C THR A 59 2.594 -11.780 18.774 1.00 0.00 C ATOM 913 O THR A 59 2.182 -10.735 19.277 1.00 0.00 O ATOM 914 CB THR A 59 2.879 -11.974 16.303 1.00 0.00 C ATOM 915 OG1 THR A 59 3.032 -10.552 16.231 1.00 0.00 O ATOM 916 CG2 THR A 59 2.287 -12.492 15.001 1.00 0.00 C ATOM 0 H THR A 59 0.539 -10.859 17.194 1.00 0.00 H new ATOM 0 HA THR A 59 1.927 -13.434 17.578 1.00 0.00 H new ATOM 0 HB THR A 59 3.855 -12.437 16.450 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.837 -10.248 15.320 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.937 -12.216 14.171 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.199 -13.577 15.048 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.300 -12.054 14.850 1.00 0.00 H new ATOM 924 N PRO A 60 3.602 -12.483 19.312 1.00 0.00 N ATOM 925 CA PRO A 60 4.293 -12.067 20.536 1.00 0.00 C ATOM 926 C PRO A 60 5.145 -10.820 20.325 1.00 0.00 C ATOM 927 O PRO A 60 5.689 -10.261 21.277 1.00 0.00 O ATOM 928 CB PRO A 60 5.179 -13.270 20.870 1.00 0.00 C ATOM 929 CG PRO A 60 5.402 -13.950 19.564 1.00 0.00 C ATOM 930 CD PRO A 60 4.145 -13.738 18.766 1.00 0.00 C ATOM 0 HA PRO A 60 3.594 -11.803 21.329 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.121 -12.955 21.318 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.692 -13.934 21.584 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.266 -13.531 19.049 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.599 -15.013 19.706 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.355 -13.655 17.700 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.446 -14.565 18.889 1.00 0.00 H new ATOM 938 N ALA A 61 5.256 -10.389 19.073 1.00 0.00 N ATOM 939 CA ALA A 61 6.039 -9.207 18.738 1.00 0.00 C ATOM 940 C ALA A 61 5.157 -7.965 18.667 1.00 0.00 C ATOM 941 O ALA A 61 5.616 -6.852 18.920 1.00 0.00 O ATOM 942 CB ALA A 61 6.770 -9.414 17.420 1.00 0.00 C ATOM 0 H ALA A 61 4.813 -10.842 18.273 1.00 0.00 H new ATOM 0 HA ALA A 61 6.774 -9.053 19.528 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.351 -8.523 17.182 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.438 -10.271 17.505 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.045 -9.597 16.627 1.00 0.00 H new ATOM 948 N GLU A 62 3.889 -8.165 18.320 1.00 0.00 N ATOM 949 CA GLU A 62 2.944 -7.060 18.214 1.00 0.00 C ATOM 950 C GLU A 62 2.531 -6.563 19.597 1.00 0.00 C ATOM 951 O GLU A 62 2.357 -5.363 19.810 1.00 0.00 O ATOM 952 CB GLU A 62 1.706 -7.492 17.425 1.00 0.00 C ATOM 953 CG GLU A 62 0.432 -6.785 17.856 1.00 0.00 C ATOM 954 CD GLU A 62 -0.631 -6.787 16.774 1.00 0.00 C ATOM 955 OE1 GLU A 62 -0.392 -6.188 15.705 1.00 0.00 O ATOM 956 OE2 GLU A 62 -1.702 -7.390 16.998 1.00 0.00 O ATOM 0 H GLU A 62 3.493 -9.081 18.108 1.00 0.00 H new ATOM 0 HA GLU A 62 3.436 -6.244 17.685 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.876 -7.302 16.365 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.571 -8.568 17.538 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.037 -7.269 18.749 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.666 -5.756 18.128 1.00 0.00 H new ATOM 963 N ALA A 63 2.376 -7.494 20.532 1.00 0.00 N ATOM 964 CA ALA A 63 1.986 -7.152 21.894 1.00 0.00 C ATOM 965 C ALA A 63 3.194 -6.729 22.721 1.00 0.00 C ATOM 966 O ALA A 63 3.068 -5.963 23.676 1.00 0.00 O ATOM 967 CB ALA A 63 1.278 -8.327 22.551 1.00 0.00 C ATOM 0 H ALA A 63 2.515 -8.492 20.371 1.00 0.00 H new ATOM 0 HA ALA A 63 1.298 -6.308 21.848 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.992 -8.057 23.568 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.386 -8.580 21.979 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.948 -9.186 22.578 1.00 0.00 H new ATOM 973 N GLY A 64 4.367 -7.234 22.349 1.00 0.00 N ATOM 974 CA GLY A 64 5.581 -6.898 23.069 1.00 0.00 C ATOM 975 C GLY A 64 5.902 -5.418 23.006 1.00 0.00 C ATOM 976 O GLY A 64 6.302 -4.819 24.003 1.00 0.00 O ATOM 0 H GLY A 64 4.498 -7.870 21.562 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.477 -7.200 24.111 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.414 -7.465 22.654 1.00 0.00 H new ATOM 980 N GLY A 65 5.727 -4.825 21.828 1.00 0.00 N ATOM 981 CA GLY A 65 6.007 -3.411 21.660 1.00 0.00 C ATOM 982 C GLY A 65 6.477 -3.076 20.258 1.00 0.00 C ATOM 983 O GLY A 65 6.353 -1.935 19.810 1.00 0.00 O ATOM 0 H GLY A 65 5.396 -5.299 20.988 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.109 -2.836 21.886 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.769 -3.107 22.378 1.00 0.00 H new ATOM 987 N LEU A 66 7.018 -4.070 19.563 1.00 0.00 N ATOM 988 CA LEU A 66 7.509 -3.875 18.204 1.00 0.00 C ATOM 989 C LEU A 66 6.391 -3.394 17.284 1.00 0.00 C ATOM 990 O LEU A 66 5.492 -4.156 16.930 1.00 0.00 O ATOM 991 CB LEU A 66 8.104 -5.177 17.663 1.00 0.00 C ATOM 992 CG LEU A 66 9.332 -5.711 18.402 1.00 0.00 C ATOM 993 CD1 LEU A 66 9.892 -6.933 17.692 1.00 0.00 C ATOM 994 CD2 LEU A 66 10.394 -4.629 18.524 1.00 0.00 C ATOM 0 H LEU A 66 7.128 -5.020 19.919 1.00 0.00 H new ATOM 0 HA LEU A 66 8.286 -3.111 18.232 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.330 -5.944 17.685 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.372 -5.024 16.618 1.00 0.00 H new ATOM 0 HG LEU A 66 9.028 -6.007 19.406 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.765 -7.299 18.232 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.132 -7.714 17.658 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.180 -6.663 16.676 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.260 -5.027 19.052 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.695 -4.301 17.529 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.989 -3.782 19.078 1.00 0.00 H new ATOM 1006 N LYS A 67 6.455 -2.123 16.900 1.00 0.00 N ATOM 1007 CA LYS A 67 5.451 -1.539 16.018 1.00 0.00 C ATOM 1008 C LYS A 67 6.048 -1.213 14.653 1.00 0.00 C ATOM 1009 O LYS A 67 7.267 -1.219 14.482 1.00 0.00 O ATOM 1010 CB LYS A 67 4.866 -0.272 16.647 1.00 0.00 C ATOM 1011 CG LYS A 67 3.733 -0.544 17.622 1.00 0.00 C ATOM 1012 CD LYS A 67 2.380 -0.488 16.934 1.00 0.00 C ATOM 1013 CE LYS A 67 1.274 -1.018 17.834 1.00 0.00 C ATOM 1014 NZ LYS A 67 0.355 -1.934 17.104 1.00 0.00 N ATOM 0 H LYS A 67 7.192 -1.478 17.186 1.00 0.00 H new ATOM 0 HA LYS A 67 4.655 -2.271 15.880 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.660 0.266 17.166 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.503 0.383 15.855 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.871 -1.525 18.077 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.762 0.188 18.429 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.158 0.541 16.650 1.00 0.00 H new ATOM 0 HD3 LYS A 67 2.414 -1.073 16.015 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.716 -1.545 18.680 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.705 -0.182 18.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.384 -2.273 17.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.086 -1.424 16.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 0.893 -2.745 16.737 1.00 0.00 H new ATOM 1028 N GLU A 68 5.182 -0.927 13.686 1.00 0.00 N ATOM 1029 CA GLU A 68 5.627 -0.597 12.337 1.00 0.00 C ATOM 1030 C GLU A 68 6.492 0.659 12.341 1.00 0.00 C ATOM 1031 O GLU A 68 6.345 1.525 13.203 1.00 0.00 O ATOM 1032 CB GLU A 68 4.422 -0.397 11.414 1.00 0.00 C ATOM 1033 CG GLU A 68 4.754 -0.551 9.939 1.00 0.00 C ATOM 1034 CD GLU A 68 3.517 -0.710 9.077 1.00 0.00 C ATOM 1035 OE1 GLU A 68 2.917 -1.805 9.094 1.00 0.00 O ATOM 1036 OE2 GLU A 68 3.148 0.262 8.385 1.00 0.00 O ATOM 0 H GLU A 68 4.170 -0.917 13.811 1.00 0.00 H new ATOM 0 HA GLU A 68 6.227 -1.428 11.966 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.647 -1.116 11.681 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.007 0.596 11.583 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.316 0.321 9.604 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.400 -1.418 9.804 1.00 0.00 H new ATOM 1043 N ASN A 69 7.396 0.751 11.371 1.00 0.00 N ATOM 1044 CA ASN A 69 8.287 1.900 11.262 1.00 0.00 C ATOM 1045 C ASN A 69 9.201 1.998 12.481 1.00 0.00 C ATOM 1046 O ASN A 69 9.364 3.070 13.063 1.00 0.00 O ATOM 1047 CB ASN A 69 7.476 3.189 11.115 1.00 0.00 C ATOM 1048 CG ASN A 69 6.273 3.014 10.209 1.00 0.00 C ATOM 1049 OD1 ASN A 69 6.399 2.561 9.071 1.00 0.00 O ATOM 1050 ND2 ASN A 69 5.097 3.374 10.710 1.00 0.00 N ATOM 0 H ASN A 69 7.531 0.043 10.649 1.00 0.00 H new ATOM 0 HA ASN A 69 8.906 1.765 10.375 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.142 3.519 12.099 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.117 3.975 10.716 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.252 3.280 10.146 1.00 0.00 H new ATOM 0 HD22 ASN A 69 5.039 3.745 11.658 1.00 0.00 H new ATOM 1057 N ASP A 70 9.794 0.871 12.860 1.00 0.00 N ATOM 1058 CA ASP A 70 10.692 0.829 14.008 1.00 0.00 C ATOM 1059 C ASP A 70 12.114 0.490 13.572 1.00 0.00 C ATOM 1060 O ASP A 70 12.335 -0.004 12.467 1.00 0.00 O ATOM 1061 CB ASP A 70 10.200 -0.197 15.030 1.00 0.00 C ATOM 1062 CG ASP A 70 9.439 0.444 16.173 1.00 0.00 C ATOM 1063 OD1 ASP A 70 9.912 1.475 16.696 1.00 0.00 O ATOM 1064 OD2 ASP A 70 8.371 -0.085 16.546 1.00 0.00 O ATOM 0 H ASP A 70 9.669 -0.025 12.389 1.00 0.00 H new ATOM 0 HA ASP A 70 10.698 1.816 14.470 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.558 -0.923 14.531 1.00 0.00 H new ATOM 0 HB3 ASP A 70 11.053 -0.747 15.428 1.00 0.00 H new ATOM 1069 N VAL A 71 13.077 0.760 14.449 1.00 0.00 N ATOM 1070 CA VAL A 71 14.478 0.485 14.155 1.00 0.00 C ATOM 1071 C VAL A 71 15.203 -0.047 15.386 1.00 0.00 C ATOM 1072 O VAL A 71 15.427 0.685 16.351 1.00 0.00 O ATOM 1073 CB VAL A 71 15.204 1.745 13.649 1.00 0.00 C ATOM 1074 CG1 VAL A 71 16.605 1.398 13.168 1.00 0.00 C ATOM 1075 CG2 VAL A 71 14.402 2.413 12.542 1.00 0.00 C ATOM 0 H VAL A 71 12.912 1.169 15.369 1.00 0.00 H new ATOM 0 HA VAL A 71 14.494 -0.273 13.371 1.00 0.00 H new ATOM 0 HB VAL A 71 15.294 2.448 14.477 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.102 2.301 12.814 1.00 0.00 H new ATOM 0 HG12 VAL A 71 17.176 0.968 13.991 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.542 0.676 12.354 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.930 3.302 12.196 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.279 1.718 11.712 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.422 2.699 12.924 1.00 0.00 H new ATOM 1085 N ILE A 72 15.569 -1.323 15.346 1.00 0.00 N ATOM 1086 CA ILE A 72 16.270 -1.952 16.458 1.00 0.00 C ATOM 1087 C ILE A 72 17.755 -1.603 16.439 1.00 0.00 C ATOM 1088 O ILE A 72 18.425 -1.755 15.418 1.00 0.00 O ATOM 1089 CB ILE A 72 16.114 -3.484 16.428 1.00 0.00 C ATOM 1090 CG1 ILE A 72 14.633 -3.868 16.455 1.00 0.00 C ATOM 1091 CG2 ILE A 72 16.852 -4.114 17.600 1.00 0.00 C ATOM 1092 CD1 ILE A 72 14.246 -4.855 15.376 1.00 0.00 C ATOM 0 H ILE A 72 15.392 -1.942 14.555 1.00 0.00 H new ATOM 0 HA ILE A 72 15.820 -1.567 17.373 1.00 0.00 H new ATOM 0 HB ILE A 72 16.551 -3.861 15.503 1.00 0.00 H new ATOM 0 HG12 ILE A 72 14.394 -4.295 17.429 1.00 0.00 H new ATOM 0 HG13 ILE A 72 14.030 -2.967 16.345 1.00 0.00 H new ATOM 0 HG21 ILE A 72 16.733 -5.197 17.565 1.00 0.00 H new ATOM 0 HG22 ILE A 72 17.911 -3.864 17.540 1.00 0.00 H new ATOM 0 HG23 ILE A 72 16.442 -3.733 18.535 1.00 0.00 H new ATOM 0 HD11 ILE A 72 13.183 -5.082 15.455 1.00 0.00 H new ATOM 0 HD12 ILE A 72 14.453 -4.423 14.397 1.00 0.00 H new ATOM 0 HD13 ILE A 72 14.823 -5.772 15.498 1.00 0.00 H new ATOM 1104 N ILE A 73 18.261 -1.136 17.575 1.00 0.00 N ATOM 1105 CA ILE A 73 19.667 -0.768 17.690 1.00 0.00 C ATOM 1106 C ILE A 73 20.447 -1.816 18.478 1.00 0.00 C ATOM 1107 O ILE A 73 21.659 -1.953 18.317 1.00 0.00 O ATOM 1108 CB ILE A 73 19.837 0.602 18.372 1.00 0.00 C ATOM 1109 CG1 ILE A 73 19.057 0.641 19.688 1.00 0.00 C ATOM 1110 CG2 ILE A 73 19.377 1.716 17.444 1.00 0.00 C ATOM 1111 CD1 ILE A 73 19.872 1.142 20.859 1.00 0.00 C ATOM 0 H ILE A 73 17.719 -1.003 18.429 1.00 0.00 H new ATOM 0 HA ILE A 73 20.062 -0.711 16.676 1.00 0.00 H new ATOM 0 HB ILE A 73 20.894 0.753 18.593 1.00 0.00 H new ATOM 0 HG12 ILE A 73 18.183 1.280 19.564 1.00 0.00 H new ATOM 0 HG13 ILE A 73 18.690 -0.360 19.913 1.00 0.00 H new ATOM 0 HG21 ILE A 73 19.503 2.678 17.940 1.00 0.00 H new ATOM 0 HG22 ILE A 73 19.972 1.698 16.531 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.326 1.571 17.195 1.00 0.00 H new ATOM 0 HD11 ILE A 73 19.255 1.143 21.758 1.00 0.00 H new ATOM 0 HD12 ILE A 73 20.732 0.489 21.010 1.00 0.00 H new ATOM 0 HD13 ILE A 73 20.217 2.156 20.655 1.00 0.00 H new ATOM 1123 N SER A 74 19.742 -2.554 19.329 1.00 0.00 N ATOM 1124 CA SER A 74 20.368 -3.588 20.144 1.00 0.00 C ATOM 1125 C SER A 74 19.332 -4.597 20.632 1.00 0.00 C ATOM 1126 O SER A 74 18.142 -4.291 20.711 1.00 0.00 O ATOM 1127 CB SER A 74 21.086 -2.960 21.340 1.00 0.00 C ATOM 1128 OG SER A 74 21.527 -3.953 22.249 1.00 0.00 O ATOM 0 H SER A 74 18.737 -2.455 19.472 1.00 0.00 H new ATOM 0 HA SER A 74 21.097 -4.111 19.525 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.939 -2.377 20.991 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.414 -2.269 21.849 1.00 0.00 H new ATOM 0 HG SER A 74 21.984 -3.526 23.003 1.00 0.00 H new ATOM 1134 N ILE A 75 19.794 -5.799 20.957 1.00 0.00 N ATOM 1135 CA ILE A 75 18.908 -6.853 21.437 1.00 0.00 C ATOM 1136 C ILE A 75 19.627 -7.768 22.423 1.00 0.00 C ATOM 1137 O ILE A 75 20.685 -8.318 22.117 1.00 0.00 O ATOM 1138 CB ILE A 75 18.359 -7.700 20.275 1.00 0.00 C ATOM 1139 CG1 ILE A 75 17.593 -6.816 19.288 1.00 0.00 C ATOM 1140 CG2 ILE A 75 17.462 -8.809 20.805 1.00 0.00 C ATOM 1141 CD1 ILE A 75 17.029 -7.575 18.108 1.00 0.00 C ATOM 0 H ILE A 75 20.776 -6.068 20.897 1.00 0.00 H new ATOM 0 HA ILE A 75 18.076 -6.361 21.941 1.00 0.00 H new ATOM 0 HB ILE A 75 19.198 -8.157 19.750 1.00 0.00 H new ATOM 0 HG12 ILE A 75 16.777 -6.321 19.814 1.00 0.00 H new ATOM 0 HG13 ILE A 75 18.258 -6.034 18.922 1.00 0.00 H new ATOM 0 HG21 ILE A 75 17.082 -9.399 19.971 1.00 0.00 H new ATOM 0 HG22 ILE A 75 18.035 -9.452 21.473 1.00 0.00 H new ATOM 0 HG23 ILE A 75 16.626 -8.371 21.351 1.00 0.00 H new ATOM 0 HD11 ILE A 75 16.499 -6.885 17.451 1.00 0.00 H new ATOM 0 HD12 ILE A 75 17.842 -8.048 17.558 1.00 0.00 H new ATOM 0 HD13 ILE A 75 16.338 -8.340 18.464 1.00 0.00 H new ATOM 1153 N ASN A 76 19.045 -7.928 23.607 1.00 0.00 N ATOM 1154 CA ASN A 76 19.629 -8.779 24.637 1.00 0.00 C ATOM 1155 C ASN A 76 20.984 -8.239 25.084 1.00 0.00 C ATOM 1156 O ASN A 76 21.839 -8.989 25.554 1.00 0.00 O ATOM 1157 CB ASN A 76 19.783 -10.210 24.120 1.00 0.00 C ATOM 1158 CG ASN A 76 19.090 -11.224 25.010 1.00 0.00 C ATOM 1159 OD1 ASN A 76 18.287 -12.091 24.404 1.00 0.00 O flip ATOM 1160 ND2 ASN A 76 19.275 -11.228 26.227 1.00 0.00 N flip ATOM 0 H ASN A 76 18.170 -7.480 23.877 1.00 0.00 H new ATOM 0 HA ASN A 76 18.957 -8.781 25.495 1.00 0.00 H new ATOM 0 HB2 ASN A 76 19.373 -10.275 23.112 1.00 0.00 H new ATOM 0 HB3 ASN A 76 20.843 -10.456 24.050 1.00 0.00 H new ATOM 0 HD21 ASN A 76 19.901 -10.543 26.650 1.00 0.00 H new ATOM 0 HD22 ASN A 76 18.802 -11.917 26.812 1.00 0.00 H new ATOM 1167 N GLY A 77 21.174 -6.931 24.933 1.00 0.00 N ATOM 1168 CA GLY A 77 22.426 -6.313 25.326 1.00 0.00 C ATOM 1169 C GLY A 77 23.485 -6.411 24.245 1.00 0.00 C ATOM 1170 O GLY A 77 24.679 -6.311 24.527 1.00 0.00 O ATOM 0 H GLY A 77 20.483 -6.289 24.545 1.00 0.00 H new ATOM 0 HA2 GLY A 77 22.251 -5.264 25.565 1.00 0.00 H new ATOM 0 HA3 GLY A 77 22.794 -6.790 26.235 1.00 0.00 H new ATOM 1174 N GLN A 78 23.047 -6.610 23.006 1.00 0.00 N ATOM 1175 CA GLN A 78 23.967 -6.724 21.881 1.00 0.00 C ATOM 1176 C GLN A 78 23.513 -5.851 20.716 1.00 0.00 C ATOM 1177 O GLN A 78 22.425 -6.041 20.172 1.00 0.00 O ATOM 1178 CB GLN A 78 24.074 -8.182 21.429 1.00 0.00 C ATOM 1179 CG GLN A 78 25.444 -8.795 21.673 1.00 0.00 C ATOM 1180 CD GLN A 78 26.354 -8.689 20.466 1.00 0.00 C ATOM 1181 OE1 GLN A 78 26.467 -7.628 19.851 1.00 0.00 O ATOM 1182 NE2 GLN A 78 27.011 -9.790 20.120 1.00 0.00 N ATOM 0 H GLN A 78 22.062 -6.696 22.756 1.00 0.00 H new ATOM 0 HA GLN A 78 24.947 -6.379 22.209 1.00 0.00 H new ATOM 0 HB2 GLN A 78 23.322 -8.772 21.953 1.00 0.00 H new ATOM 0 HB3 GLN A 78 23.842 -8.242 20.366 1.00 0.00 H new ATOM 0 HG2 GLN A 78 25.914 -8.299 22.522 1.00 0.00 H new ATOM 0 HG3 GLN A 78 25.325 -9.844 21.943 1.00 0.00 H new ATOM 0 HE21 GLN A 78 26.888 -10.648 20.658 1.00 0.00 H new ATOM 0 HE22 GLN A 78 27.639 -9.778 19.316 1.00 0.00 H new ATOM 1191 N SER A 79 24.354 -4.893 20.338 1.00 0.00 N ATOM 1192 CA SER A 79 24.037 -3.987 19.240 1.00 0.00 C ATOM 1193 C SER A 79 24.007 -4.734 17.911 1.00 0.00 C ATOM 1194 O SER A 79 24.930 -5.482 17.584 1.00 0.00 O ATOM 1195 CB SER A 79 25.060 -2.851 19.177 1.00 0.00 C ATOM 1196 OG SER A 79 25.015 -2.058 20.351 1.00 0.00 O ATOM 0 H SER A 79 25.260 -4.724 20.776 1.00 0.00 H new ATOM 0 HA SER A 79 23.048 -3.566 19.422 1.00 0.00 H new ATOM 0 HB2 SER A 79 26.061 -3.265 19.052 1.00 0.00 H new ATOM 0 HB3 SER A 79 24.862 -2.227 18.305 1.00 0.00 H new ATOM 0 HG SER A 79 25.679 -1.340 20.287 1.00 0.00 H new ATOM 1202 N VAL A 80 22.940 -4.527 17.146 1.00 0.00 N ATOM 1203 CA VAL A 80 22.789 -5.180 15.851 1.00 0.00 C ATOM 1204 C VAL A 80 22.895 -4.172 14.712 1.00 0.00 C ATOM 1205 O VAL A 80 22.683 -2.975 14.906 1.00 0.00 O ATOM 1206 CB VAL A 80 21.439 -5.914 15.747 1.00 0.00 C ATOM 1207 CG1 VAL A 80 21.283 -6.910 16.887 1.00 0.00 C ATOM 1208 CG2 VAL A 80 20.290 -4.917 15.738 1.00 0.00 C ATOM 0 H VAL A 80 22.167 -3.912 17.401 1.00 0.00 H new ATOM 0 HA VAL A 80 23.597 -5.907 15.767 1.00 0.00 H new ATOM 0 HB VAL A 80 21.417 -6.467 14.808 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.323 -7.419 16.797 1.00 0.00 H new ATOM 0 HG12 VAL A 80 22.088 -7.643 16.842 1.00 0.00 H new ATOM 0 HG13 VAL A 80 21.326 -6.382 17.840 1.00 0.00 H new ATOM 0 HG21 VAL A 80 19.344 -5.453 15.664 1.00 0.00 H new ATOM 0 HG22 VAL A 80 20.306 -4.335 16.659 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.396 -4.248 14.884 1.00 0.00 H new ATOM 1218 N VAL A 81 23.226 -4.664 13.523 1.00 0.00 N ATOM 1219 CA VAL A 81 23.360 -3.807 12.351 1.00 0.00 C ATOM 1220 C VAL A 81 22.778 -4.477 11.111 1.00 0.00 C ATOM 1221 O VAL A 81 23.165 -4.165 9.985 1.00 0.00 O ATOM 1222 CB VAL A 81 24.834 -3.449 12.083 1.00 0.00 C ATOM 1223 CG1 VAL A 81 25.329 -2.430 13.098 1.00 0.00 C ATOM 1224 CG2 VAL A 81 25.699 -4.700 12.106 1.00 0.00 C ATOM 0 H VAL A 81 23.406 -5.652 13.346 1.00 0.00 H new ATOM 0 HA VAL A 81 22.804 -2.893 12.562 1.00 0.00 H new ATOM 0 HB VAL A 81 24.907 -3.003 11.091 1.00 0.00 H new ATOM 0 HG11 VAL A 81 26.372 -2.189 12.893 1.00 0.00 H new ATOM 0 HG12 VAL A 81 24.727 -1.524 13.027 1.00 0.00 H new ATOM 0 HG13 VAL A 81 25.243 -2.845 14.102 1.00 0.00 H new ATOM 0 HG21 VAL A 81 26.737 -4.428 11.915 1.00 0.00 H new ATOM 0 HG22 VAL A 81 25.623 -5.177 13.083 1.00 0.00 H new ATOM 0 HG23 VAL A 81 25.358 -5.393 11.337 1.00 0.00 H new ATOM 1234 N SER A 82 21.844 -5.398 11.326 1.00 0.00 N ATOM 1235 CA SER A 82 21.209 -6.114 10.226 1.00 0.00 C ATOM 1236 C SER A 82 19.952 -6.836 10.701 1.00 0.00 C ATOM 1237 O SER A 82 19.917 -7.387 11.800 1.00 0.00 O ATOM 1238 CB SER A 82 22.187 -7.119 9.613 1.00 0.00 C ATOM 1239 OG SER A 82 22.004 -7.219 8.211 1.00 0.00 O ATOM 0 H SER A 82 21.510 -5.666 12.252 1.00 0.00 H new ATOM 0 HA SER A 82 20.923 -5.385 9.467 1.00 0.00 H new ATOM 0 HB2 SER A 82 23.211 -6.813 9.828 1.00 0.00 H new ATOM 0 HB3 SER A 82 22.044 -8.097 10.072 1.00 0.00 H new ATOM 0 HG SER A 82 22.642 -7.866 7.843 1.00 0.00 H new ATOM 1245 N ALA A 83 18.920 -6.827 9.863 1.00 0.00 N ATOM 1246 CA ALA A 83 17.661 -7.481 10.195 1.00 0.00 C ATOM 1247 C ALA A 83 17.857 -8.980 10.396 1.00 0.00 C ATOM 1248 O ALA A 83 17.072 -9.632 11.083 1.00 0.00 O ATOM 1249 CB ALA A 83 16.629 -7.223 9.107 1.00 0.00 C ATOM 0 H ALA A 83 18.932 -6.374 8.949 1.00 0.00 H new ATOM 0 HA ALA A 83 17.298 -7.060 11.132 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.693 -7.718 9.368 1.00 0.00 H new ATOM 0 HB2 ALA A 83 16.459 -6.150 9.014 1.00 0.00 H new ATOM 0 HB3 ALA A 83 16.994 -7.616 8.158 1.00 0.00 H new ATOM 1255 N ASN A 84 18.909 -9.521 9.790 1.00 0.00 N ATOM 1256 CA ASN A 84 19.207 -10.944 9.901 1.00 0.00 C ATOM 1257 C ASN A 84 19.800 -11.270 11.269 1.00 0.00 C ATOM 1258 O ASN A 84 19.689 -12.397 11.752 1.00 0.00 O ATOM 1259 CB ASN A 84 20.178 -11.371 8.798 1.00 0.00 C ATOM 1260 CG ASN A 84 19.585 -12.425 7.883 1.00 0.00 C ATOM 1261 OD1 ASN A 84 19.924 -13.605 7.975 1.00 0.00 O ATOM 1262 ND2 ASN A 84 18.695 -12.003 6.993 1.00 0.00 N ATOM 0 H ASN A 84 19.569 -8.995 9.217 1.00 0.00 H new ATOM 0 HA ASN A 84 18.273 -11.495 9.788 1.00 0.00 H new ATOM 0 HB2 ASN A 84 20.460 -10.499 8.208 1.00 0.00 H new ATOM 0 HB3 ASN A 84 21.091 -11.759 9.251 1.00 0.00 H new ATOM 0 HD21 ASN A 84 18.263 -12.666 6.350 1.00 0.00 H new ATOM 0 HD22 ASN A 84 18.444 -11.015 6.952 1.00 0.00 H new ATOM 1269 N ASP A 85 20.428 -10.276 11.888 1.00 0.00 N ATOM 1270 CA ASP A 85 21.036 -10.457 13.201 1.00 0.00 C ATOM 1271 C ASP A 85 19.973 -10.472 14.295 1.00 0.00 C ATOM 1272 O ASP A 85 20.010 -11.308 15.199 1.00 0.00 O ATOM 1273 CB ASP A 85 22.050 -9.344 13.473 1.00 0.00 C ATOM 1274 CG ASP A 85 23.476 -9.782 13.204 1.00 0.00 C ATOM 1275 OD1 ASP A 85 24.004 -10.601 13.985 1.00 0.00 O ATOM 1276 OD2 ASP A 85 24.064 -9.307 12.210 1.00 0.00 O ATOM 0 H ASP A 85 20.529 -9.337 11.502 1.00 0.00 H new ATOM 0 HA ASP A 85 21.551 -11.418 13.207 1.00 0.00 H new ATOM 0 HB2 ASP A 85 21.814 -8.481 12.850 1.00 0.00 H new ATOM 0 HB3 ASP A 85 21.962 -9.021 14.510 1.00 0.00 H new ATOM 1281 N VAL A 86 19.027 -9.543 14.207 1.00 0.00 N ATOM 1282 CA VAL A 86 17.954 -9.450 15.189 1.00 0.00 C ATOM 1283 C VAL A 86 17.074 -10.695 15.162 1.00 0.00 C ATOM 1284 O VAL A 86 16.433 -11.036 16.156 1.00 0.00 O ATOM 1285 CB VAL A 86 17.075 -8.209 14.944 1.00 0.00 C ATOM 1286 CG1 VAL A 86 17.894 -6.936 15.095 1.00 0.00 C ATOM 1287 CG2 VAL A 86 16.429 -8.277 13.568 1.00 0.00 C ATOM 0 H VAL A 86 18.982 -8.844 13.466 1.00 0.00 H new ATOM 0 HA VAL A 86 18.427 -9.364 16.167 1.00 0.00 H new ATOM 0 HB VAL A 86 16.282 -8.193 15.692 1.00 0.00 H new ATOM 0 HG11 VAL A 86 17.256 -6.070 14.918 1.00 0.00 H new ATOM 0 HG12 VAL A 86 18.304 -6.885 16.104 1.00 0.00 H new ATOM 0 HG13 VAL A 86 18.709 -6.940 14.371 1.00 0.00 H new ATOM 0 HG21 VAL A 86 15.812 -7.392 13.412 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.205 -8.318 12.803 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.807 -9.170 13.502 1.00 0.00 H new ATOM 1297 N SER A 87 17.050 -11.371 14.018 1.00 0.00 N ATOM 1298 CA SER A 87 16.247 -12.578 13.860 1.00 0.00 C ATOM 1299 C SER A 87 16.942 -13.779 14.493 1.00 0.00 C ATOM 1300 O SER A 87 16.295 -14.757 14.871 1.00 0.00 O ATOM 1301 CB SER A 87 15.983 -12.849 12.378 1.00 0.00 C ATOM 1302 OG SER A 87 17.134 -13.380 11.744 1.00 0.00 O ATOM 0 H SER A 87 17.577 -11.103 13.187 1.00 0.00 H new ATOM 0 HA SER A 87 15.296 -12.422 14.368 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.152 -13.547 12.275 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.685 -11.924 11.883 1.00 0.00 H new ATOM 0 HG SER A 87 17.919 -12.849 11.993 1.00 0.00 H new ATOM 1308 N ASP A 88 18.263 -13.699 14.607 1.00 0.00 N ATOM 1309 CA ASP A 88 19.047 -14.779 15.195 1.00 0.00 C ATOM 1310 C ASP A 88 18.768 -14.901 16.689 1.00 0.00 C ATOM 1311 O ASP A 88 18.557 -15.999 17.204 1.00 0.00 O ATOM 1312 CB ASP A 88 20.539 -14.540 14.960 1.00 0.00 C ATOM 1313 CG ASP A 88 21.043 -15.218 13.700 1.00 0.00 C ATOM 1314 OD1 ASP A 88 21.439 -16.400 13.780 1.00 0.00 O ATOM 1315 OD2 ASP A 88 21.039 -14.567 12.635 1.00 0.00 O ATOM 0 H ASP A 88 18.814 -12.897 14.300 1.00 0.00 H new ATOM 0 HA ASP A 88 18.756 -15.712 14.712 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.726 -13.468 14.892 1.00 0.00 H new ATOM 0 HB3 ASP A 88 21.102 -14.908 15.817 1.00 0.00 H new ATOM 1320 N VAL A 89 18.769 -13.766 17.381 1.00 0.00 N ATOM 1321 CA VAL A 89 18.516 -13.746 18.817 1.00 0.00 C ATOM 1322 C VAL A 89 17.181 -14.402 19.149 1.00 0.00 C ATOM 1323 O VAL A 89 16.978 -14.893 20.261 1.00 0.00 O ATOM 1324 CB VAL A 89 18.520 -12.307 19.368 1.00 0.00 C ATOM 1325 CG1 VAL A 89 18.259 -12.308 20.866 1.00 0.00 C ATOM 1326 CG2 VAL A 89 19.838 -11.618 19.048 1.00 0.00 C ATOM 0 H VAL A 89 18.942 -12.848 16.970 1.00 0.00 H new ATOM 0 HA VAL A 89 19.321 -14.310 19.288 1.00 0.00 H new ATOM 0 HB VAL A 89 17.718 -11.749 18.885 1.00 0.00 H new ATOM 0 HG11 VAL A 89 18.266 -11.283 21.237 1.00 0.00 H new ATOM 0 HG12 VAL A 89 17.287 -12.760 21.066 1.00 0.00 H new ATOM 0 HG13 VAL A 89 19.037 -12.882 21.370 1.00 0.00 H new ATOM 0 HG21 VAL A 89 19.823 -10.603 19.444 1.00 0.00 H new ATOM 0 HG22 VAL A 89 20.659 -12.173 19.502 1.00 0.00 H new ATOM 0 HG23 VAL A 89 19.978 -11.584 17.968 1.00 0.00 H new ATOM 1336 N ILE A 90 16.273 -14.408 18.179 1.00 0.00 N ATOM 1337 CA ILE A 90 14.958 -15.006 18.368 1.00 0.00 C ATOM 1338 C ILE A 90 15.065 -16.509 18.602 1.00 0.00 C ATOM 1339 O ILE A 90 14.394 -17.062 19.474 1.00 0.00 O ATOM 1340 CB ILE A 90 14.044 -14.751 17.155 1.00 0.00 C ATOM 1341 CG1 ILE A 90 13.985 -13.255 16.838 1.00 0.00 C ATOM 1342 CG2 ILE A 90 12.648 -15.297 17.419 1.00 0.00 C ATOM 1343 CD1 ILE A 90 13.109 -12.922 15.651 1.00 0.00 C ATOM 0 H ILE A 90 16.424 -14.005 17.254 1.00 0.00 H new ATOM 0 HA ILE A 90 14.521 -14.534 19.248 1.00 0.00 H new ATOM 0 HB ILE A 90 14.459 -15.270 16.291 1.00 0.00 H new ATOM 0 HG12 ILE A 90 13.615 -12.721 17.713 1.00 0.00 H new ATOM 0 HG13 ILE A 90 14.995 -12.892 16.647 1.00 0.00 H new ATOM 0 HG21 ILE A 90 12.014 -15.109 16.553 1.00 0.00 H new ATOM 0 HG22 ILE A 90 12.705 -16.370 17.601 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.224 -14.803 18.293 1.00 0.00 H new ATOM 0 HD11 ILE A 90 13.115 -11.845 15.485 1.00 0.00 H new ATOM 0 HD12 ILE A 90 13.491 -13.428 14.764 1.00 0.00 H new ATOM 0 HD13 ILE A 90 12.089 -13.253 15.847 1.00 0.00 H new ATOM 1355 N LYS A 91 15.914 -17.165 17.819 1.00 0.00 N ATOM 1356 CA LYS A 91 16.114 -18.604 17.942 1.00 0.00 C ATOM 1357 C LYS A 91 17.253 -18.915 18.907 1.00 0.00 C ATOM 1358 O LYS A 91 17.323 -20.009 19.467 1.00 0.00 O ATOM 1359 CB LYS A 91 16.410 -19.217 16.572 1.00 0.00 C ATOM 1360 CG LYS A 91 17.619 -18.609 15.882 1.00 0.00 C ATOM 1361 CD LYS A 91 18.359 -19.638 15.044 1.00 0.00 C ATOM 1362 CE LYS A 91 17.833 -19.676 13.617 1.00 0.00 C ATOM 1363 NZ LYS A 91 18.806 -20.309 12.684 1.00 0.00 N ATOM 0 H LYS A 91 16.475 -16.722 17.091 1.00 0.00 H new ATOM 0 HA LYS A 91 15.197 -19.040 18.338 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.570 -20.289 16.690 1.00 0.00 H new ATOM 0 HB3 LYS A 91 15.537 -19.094 15.932 1.00 0.00 H new ATOM 0 HG2 LYS A 91 17.299 -17.783 15.247 1.00 0.00 H new ATOM 0 HG3 LYS A 91 18.295 -18.193 16.629 1.00 0.00 H new ATOM 0 HD2 LYS A 91 19.424 -19.404 15.035 1.00 0.00 H new ATOM 0 HD3 LYS A 91 18.253 -20.623 15.498 1.00 0.00 H new ATOM 0 HE2 LYS A 91 16.893 -20.228 13.591 1.00 0.00 H new ATOM 0 HE3 LYS A 91 17.616 -18.661 13.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 18.411 -20.316 11.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 19.694 -19.768 12.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.993 -21.286 12.988 1.00 0.00 H new ATOM 1377 N ARG A 92 18.142 -17.946 19.098 1.00 0.00 N ATOM 1378 CA ARG A 92 19.278 -18.117 19.996 1.00 0.00 C ATOM 1379 C ARG A 92 18.829 -18.078 21.454 1.00 0.00 C ATOM 1380 O ARG A 92 19.041 -19.030 22.204 1.00 0.00 O ATOM 1381 CB ARG A 92 20.323 -17.029 19.744 1.00 0.00 C ATOM 1382 CG ARG A 92 21.692 -17.354 20.318 1.00 0.00 C ATOM 1383 CD ARG A 92 22.673 -17.755 19.227 1.00 0.00 C ATOM 1384 NE ARG A 92 23.645 -18.737 19.699 1.00 0.00 N ATOM 1385 CZ ARG A 92 24.641 -19.202 18.953 1.00 0.00 C ATOM 1386 NH1 ARG A 92 24.794 -18.777 17.707 1.00 0.00 N ATOM 1387 NH2 ARG A 92 25.486 -20.095 19.454 1.00 0.00 N ATOM 0 H ARG A 92 18.098 -17.034 18.643 1.00 0.00 H new ATOM 0 HA ARG A 92 19.723 -19.092 19.797 1.00 0.00 H new ATOM 0 HB2 ARG A 92 20.417 -16.870 18.670 1.00 0.00 H new ATOM 0 HB3 ARG A 92 19.971 -16.092 20.175 1.00 0.00 H new ATOM 0 HG2 ARG A 92 22.078 -16.487 20.855 1.00 0.00 H new ATOM 0 HG3 ARG A 92 21.601 -18.163 21.042 1.00 0.00 H new ATOM 0 HD2 ARG A 92 22.124 -18.166 18.380 1.00 0.00 H new ATOM 0 HD3 ARG A 92 23.197 -16.870 18.868 1.00 0.00 H new ATOM 0 HE ARG A 92 23.554 -19.085 20.654 1.00 0.00 H new ATOM 0 HH11 ARG A 92 24.146 -18.091 17.319 1.00 0.00 H new ATOM 0 HH12 ARG A 92 25.560 -19.136 17.136 1.00 0.00 H new ATOM 0 HH21 ARG A 92 25.371 -20.425 20.412 1.00 0.00 H new ATOM 0 HH22 ARG A 92 26.250 -20.452 18.881 1.00 0.00 H new ATOM 1401 N GLU A 93 18.208 -16.970 21.847 1.00 0.00 N ATOM 1402 CA GLU A 93 17.730 -16.807 23.216 1.00 0.00 C ATOM 1403 C GLU A 93 16.215 -16.969 23.286 1.00 0.00 C ATOM 1404 O GLU A 93 15.501 -16.656 22.333 1.00 0.00 O ATOM 1405 CB GLU A 93 18.133 -15.435 23.760 1.00 0.00 C ATOM 1406 CG GLU A 93 19.575 -15.060 23.460 1.00 0.00 C ATOM 1407 CD GLU A 93 20.571 -15.951 24.177 1.00 0.00 C ATOM 1408 OE1 GLU A 93 20.904 -15.649 25.342 1.00 0.00 O ATOM 1409 OE2 GLU A 93 21.017 -16.949 23.574 1.00 0.00 O ATOM 0 H GLU A 93 18.024 -16.173 21.238 1.00 0.00 H new ATOM 0 HA GLU A 93 18.189 -17.582 23.829 1.00 0.00 H new ATOM 0 HB2 GLU A 93 17.474 -14.678 23.336 1.00 0.00 H new ATOM 0 HB3 GLU A 93 17.980 -15.422 24.839 1.00 0.00 H new ATOM 0 HG2 GLU A 93 19.746 -15.121 22.385 1.00 0.00 H new ATOM 0 HG3 GLU A 93 19.745 -14.023 23.751 1.00 0.00 H new ATOM 1416 N SER A 94 15.730 -17.460 24.422 1.00 0.00 N ATOM 1417 CA SER A 94 14.300 -17.669 24.616 1.00 0.00 C ATOM 1418 C SER A 94 13.561 -16.336 24.679 1.00 0.00 C ATOM 1419 O SER A 94 12.459 -16.197 24.147 1.00 0.00 O ATOM 1420 CB SER A 94 14.049 -18.466 25.898 1.00 0.00 C ATOM 1421 OG SER A 94 15.146 -19.311 26.196 1.00 0.00 O ATOM 0 H SER A 94 16.307 -17.721 25.222 1.00 0.00 H new ATOM 0 HA SER A 94 13.921 -18.235 23.765 1.00 0.00 H new ATOM 0 HB2 SER A 94 13.878 -17.781 26.728 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.145 -19.064 25.787 1.00 0.00 H new ATOM 0 HG SER A 94 14.962 -19.808 27.020 1.00 0.00 H new ATOM 1427 N THR A 95 14.175 -15.356 25.336 1.00 0.00 N ATOM 1428 CA THR A 95 13.576 -14.034 25.471 1.00 0.00 C ATOM 1429 C THR A 95 14.105 -13.079 24.407 1.00 0.00 C ATOM 1430 O THR A 95 15.059 -13.395 23.694 1.00 0.00 O ATOM 1431 CB THR A 95 13.848 -13.434 26.863 1.00 0.00 C ATOM 1432 OG1 THR A 95 14.048 -14.483 27.818 1.00 0.00 O ATOM 1433 CG2 THR A 95 12.691 -12.552 27.307 1.00 0.00 C ATOM 0 H THR A 95 15.087 -15.453 25.783 1.00 0.00 H new ATOM 0 HA THR A 95 12.501 -14.159 25.341 1.00 0.00 H new ATOM 0 HB THR A 95 14.748 -12.822 26.801 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.222 -14.093 28.700 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.906 -12.139 28.293 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.559 -11.738 26.594 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.778 -13.145 27.353 1.00 0.00 H new ATOM 1441 N LEU A 96 13.481 -11.911 24.304 1.00 0.00 N ATOM 1442 CA LEU A 96 13.890 -10.909 23.326 1.00 0.00 C ATOM 1443 C LEU A 96 13.879 -9.513 23.941 1.00 0.00 C ATOM 1444 O LEU A 96 12.850 -8.838 23.956 1.00 0.00 O ATOM 1445 CB LEU A 96 12.966 -10.949 22.108 1.00 0.00 C ATOM 1446 CG LEU A 96 13.033 -12.218 21.257 1.00 0.00 C ATOM 1447 CD1 LEU A 96 12.098 -12.110 20.063 1.00 0.00 C ATOM 1448 CD2 LEU A 96 14.460 -12.477 20.797 1.00 0.00 C ATOM 0 H LEU A 96 12.690 -11.634 24.886 1.00 0.00 H new ATOM 0 HA LEU A 96 14.907 -11.139 23.010 1.00 0.00 H new ATOM 0 HB2 LEU A 96 11.940 -10.819 22.451 1.00 0.00 H new ATOM 0 HB3 LEU A 96 13.200 -10.096 21.471 1.00 0.00 H new ATOM 0 HG LEU A 96 12.711 -13.060 21.869 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.159 -13.022 19.469 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.075 -11.973 20.413 1.00 0.00 H new ATOM 0 HD13 LEU A 96 12.389 -11.257 19.449 1.00 0.00 H new ATOM 0 HD21 LEU A 96 14.489 -13.384 20.193 1.00 0.00 H new ATOM 0 HD22 LEU A 96 14.809 -11.633 20.202 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.106 -12.600 21.666 1.00 0.00 H new ATOM 1460 N ASN A 97 15.032 -9.085 24.445 1.00 0.00 N ATOM 1461 CA ASN A 97 15.155 -7.768 25.059 1.00 0.00 C ATOM 1462 C ASN A 97 15.642 -6.738 24.045 1.00 0.00 C ATOM 1463 O ASN A 97 16.788 -6.293 24.097 1.00 0.00 O ATOM 1464 CB ASN A 97 16.118 -7.824 26.247 1.00 0.00 C ATOM 1465 CG ASN A 97 15.483 -8.445 27.477 1.00 0.00 C ATOM 1466 OD1 ASN A 97 15.014 -7.739 28.370 1.00 0.00 O ATOM 1467 ND2 ASN A 97 15.466 -9.771 27.528 1.00 0.00 N ATOM 0 H ASN A 97 15.894 -9.631 24.440 1.00 0.00 H new ATOM 0 HA ASN A 97 14.169 -7.466 25.412 1.00 0.00 H new ATOM 0 HB2 ASN A 97 17.002 -8.398 25.968 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.456 -6.815 26.486 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.052 -10.245 28.331 1.00 0.00 H new ATOM 0 HD22 ASN A 97 15.867 -10.316 26.764 1.00 0.00 H new ATOM 1474 N MET A 98 14.762 -6.362 23.122 1.00 0.00 N ATOM 1475 CA MET A 98 15.102 -5.383 22.096 1.00 0.00 C ATOM 1476 C MET A 98 15.017 -3.964 22.650 1.00 0.00 C ATOM 1477 O MET A 98 14.359 -3.720 23.661 1.00 0.00 O ATOM 1478 CB MET A 98 14.169 -5.530 20.892 1.00 0.00 C ATOM 1479 CG MET A 98 13.927 -6.974 20.484 1.00 0.00 C ATOM 1480 SD MET A 98 13.521 -7.142 18.735 1.00 0.00 S ATOM 1481 CE MET A 98 12.719 -8.743 18.726 1.00 0.00 C ATOM 0 H MET A 98 13.809 -6.720 23.064 1.00 0.00 H new ATOM 0 HA MET A 98 16.127 -5.569 21.777 1.00 0.00 H new ATOM 0 HB2 MET A 98 13.213 -5.061 21.124 1.00 0.00 H new ATOM 0 HB3 MET A 98 14.592 -4.988 20.046 1.00 0.00 H new ATOM 0 HG2 MET A 98 14.816 -7.564 20.705 1.00 0.00 H new ATOM 0 HG3 MET A 98 13.115 -7.386 21.083 1.00 0.00 H new ATOM 0 HE1 MET A 98 12.239 -8.904 17.761 1.00 0.00 H new ATOM 0 HE2 MET A 98 13.461 -9.523 18.896 1.00 0.00 H new ATOM 0 HE3 MET A 98 11.968 -8.778 19.515 1.00 0.00 H new ATOM 1491 N VAL A 99 15.687 -3.031 21.980 1.00 0.00 N ATOM 1492 CA VAL A 99 15.686 -1.637 22.405 1.00 0.00 C ATOM 1493 C VAL A 99 15.511 -0.700 21.215 1.00 0.00 C ATOM 1494 O VAL A 99 16.473 -0.375 20.519 1.00 0.00 O ATOM 1495 CB VAL A 99 16.989 -1.274 23.142 1.00 0.00 C ATOM 1496 CG1 VAL A 99 16.947 0.169 23.623 1.00 0.00 C ATOM 1497 CG2 VAL A 99 17.226 -2.226 24.305 1.00 0.00 C ATOM 0 H VAL A 99 16.237 -3.216 21.141 1.00 0.00 H new ATOM 0 HA VAL A 99 14.845 -1.515 23.087 1.00 0.00 H new ATOM 0 HB VAL A 99 17.821 -1.375 22.445 1.00 0.00 H new ATOM 0 HG11 VAL A 99 17.876 0.407 24.141 1.00 0.00 H new ATOM 0 HG12 VAL A 99 16.828 0.834 22.768 1.00 0.00 H new ATOM 0 HG13 VAL A 99 16.107 0.301 24.305 1.00 0.00 H new ATOM 0 HG21 VAL A 99 18.151 -1.955 24.814 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.393 -2.160 25.005 1.00 0.00 H new ATOM 0 HG23 VAL A 99 17.304 -3.246 23.930 1.00 0.00 H new ATOM 1507 N VAL A 100 14.275 -0.267 20.987 1.00 0.00 N ATOM 1508 CA VAL A 100 13.972 0.635 19.882 1.00 0.00 C ATOM 1509 C VAL A 100 13.802 2.068 20.373 1.00 0.00 C ATOM 1510 O VAL A 100 13.418 2.301 21.519 1.00 0.00 O ATOM 1511 CB VAL A 100 12.694 0.203 19.139 1.00 0.00 C ATOM 1512 CG1 VAL A 100 11.473 0.381 20.029 1.00 0.00 C ATOM 1513 CG2 VAL A 100 12.540 0.986 17.845 1.00 0.00 C ATOM 0 H VAL A 100 13.467 -0.526 21.553 1.00 0.00 H new ATOM 0 HA VAL A 100 14.816 0.588 19.194 1.00 0.00 H new ATOM 0 HB VAL A 100 12.780 -0.854 18.888 1.00 0.00 H new ATOM 0 HG11 VAL A 100 10.580 0.071 19.487 1.00 0.00 H new ATOM 0 HG12 VAL A 100 11.584 -0.229 20.925 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.379 1.429 20.313 1.00 0.00 H new ATOM 0 HG21 VAL A 100 11.632 0.668 17.333 1.00 0.00 H new ATOM 0 HG22 VAL A 100 12.476 2.051 18.069 1.00 0.00 H new ATOM 0 HG23 VAL A 100 13.402 0.802 17.203 1.00 0.00 H new ATOM 1523 N ARG A 101 14.089 3.025 19.497 1.00 0.00 N ATOM 1524 CA ARG A 101 13.968 4.437 19.842 1.00 0.00 C ATOM 1525 C ARG A 101 12.610 4.986 19.417 1.00 0.00 C ATOM 1526 O ARG A 101 12.284 5.015 18.230 1.00 0.00 O ATOM 1527 CB ARG A 101 15.086 5.243 19.178 1.00 0.00 C ATOM 1528 CG ARG A 101 16.443 5.061 19.839 1.00 0.00 C ATOM 1529 CD ARG A 101 16.562 5.894 21.106 1.00 0.00 C ATOM 1530 NE ARG A 101 17.941 6.296 21.370 1.00 0.00 N ATOM 1531 CZ ARG A 101 18.272 7.315 22.155 1.00 0.00 C ATOM 1532 NH1 ARG A 101 17.328 8.031 22.750 1.00 0.00 N ATOM 1533 NH2 ARG A 101 19.549 7.619 22.346 1.00 0.00 N ATOM 0 H ARG A 101 14.407 2.849 18.544 1.00 0.00 H new ATOM 0 HA ARG A 101 14.055 4.530 20.925 1.00 0.00 H new ATOM 0 HB2 ARG A 101 15.160 4.952 18.130 1.00 0.00 H new ATOM 0 HB3 ARG A 101 14.821 6.300 19.197 1.00 0.00 H new ATOM 0 HG2 ARG A 101 16.594 4.008 20.079 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.230 5.345 19.140 1.00 0.00 H new ATOM 0 HD2 ARG A 101 15.937 6.782 21.016 1.00 0.00 H new ATOM 0 HD3 ARG A 101 16.183 5.322 21.953 1.00 0.00 H new ATOM 0 HE ARG A 101 18.691 5.765 20.927 1.00 0.00 H new ATOM 0 HH11 ARG A 101 16.345 7.800 22.605 1.00 0.00 H new ATOM 0 HH12 ARG A 101 17.585 8.813 23.352 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.278 7.070 21.890 1.00 0.00 H new ATOM 0 HH22 ARG A 101 19.802 8.402 22.949 1.00 0.00 H new ATOM 1547 N ARG A 102 11.821 5.420 20.395 1.00 0.00 N ATOM 1548 CA ARG A 102 10.497 5.966 20.122 1.00 0.00 C ATOM 1549 C ARG A 102 10.387 7.403 20.625 1.00 0.00 C ATOM 1550 O ARG A 102 10.405 7.653 21.829 1.00 0.00 O ATOM 1551 CB ARG A 102 9.420 5.101 20.780 1.00 0.00 C ATOM 1552 CG ARG A 102 8.405 4.540 19.797 1.00 0.00 C ATOM 1553 CD ARG A 102 7.772 3.259 20.320 1.00 0.00 C ATOM 1554 NE ARG A 102 8.330 2.072 19.679 1.00 0.00 N ATOM 1555 CZ ARG A 102 7.952 0.832 19.972 1.00 0.00 C ATOM 1556 NH1 ARG A 102 7.020 0.620 20.891 1.00 0.00 N ATOM 1557 NH2 ARG A 102 8.506 -0.197 19.345 1.00 0.00 N ATOM 0 H ARG A 102 12.076 5.404 21.383 1.00 0.00 H new ATOM 0 HA ARG A 102 10.346 5.964 19.042 1.00 0.00 H new ATOM 0 HB2 ARG A 102 9.900 4.275 21.305 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.897 5.695 21.530 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.628 5.282 19.611 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.892 4.343 18.842 1.00 0.00 H new ATOM 0 HD2 ARG A 102 7.923 3.194 21.398 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.696 3.291 20.150 1.00 0.00 H new ATOM 0 HE ARG A 102 9.049 2.201 18.967 1.00 0.00 H new ATOM 0 HH11 ARG A 102 6.592 1.409 21.375 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.731 -0.332 21.114 1.00 0.00 H new ATOM 0 HH21 ARG A 102 9.223 -0.037 18.637 1.00 0.00 H new ATOM 0 HH22 ARG A 102 8.215 -1.148 19.571 1.00 0.00 H new ATOM 1571 N GLY A 103 10.274 8.343 19.692 1.00 0.00 N ATOM 1572 CA GLY A 103 10.165 9.743 20.059 1.00 0.00 C ATOM 1573 C GLY A 103 11.515 10.384 20.312 1.00 0.00 C ATOM 1574 O GLY A 103 12.072 11.039 19.433 1.00 0.00 O ATOM 0 H GLY A 103 10.256 8.160 18.689 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.653 10.285 19.264 1.00 0.00 H new ATOM 0 HA3 GLY A 103 9.550 9.834 20.954 1.00 0.00 H new ATOM 1578 N ASN A 104 12.042 10.195 21.517 1.00 0.00 N ATOM 1579 CA ASN A 104 13.335 10.762 21.884 1.00 0.00 C ATOM 1580 C ASN A 104 13.941 10.013 23.066 1.00 0.00 C ATOM 1581 O ASN A 104 14.568 10.614 23.938 1.00 0.00 O ATOM 1582 CB ASN A 104 13.185 12.245 22.228 1.00 0.00 C ATOM 1583 CG ASN A 104 13.128 13.122 20.992 1.00 0.00 C ATOM 1584 OD1 ASN A 104 12.219 13.938 20.837 1.00 0.00 O ATOM 1585 ND2 ASN A 104 14.102 12.957 20.104 1.00 0.00 N ATOM 0 H ASN A 104 11.594 9.654 22.256 1.00 0.00 H new ATOM 0 HA ASN A 104 14.005 10.660 21.030 1.00 0.00 H new ATOM 0 HB2 ASN A 104 12.278 12.389 22.815 1.00 0.00 H new ATOM 0 HB3 ASN A 104 14.022 12.557 22.853 1.00 0.00 H new ATOM 0 HD21 ASN A 104 14.116 13.519 19.253 1.00 0.00 H new ATOM 0 HD22 ASN A 104 14.835 12.269 20.273 1.00 0.00 H new ATOM 1592 N GLU A 105 13.750 8.698 23.088 1.00 0.00 N ATOM 1593 CA GLU A 105 14.279 7.867 24.164 1.00 0.00 C ATOM 1594 C GLU A 105 14.353 6.404 23.735 1.00 0.00 C ATOM 1595 O GLU A 105 13.835 6.027 22.684 1.00 0.00 O ATOM 1596 CB GLU A 105 13.409 8.000 25.415 1.00 0.00 C ATOM 1597 CG GLU A 105 11.918 7.926 25.131 1.00 0.00 C ATOM 1598 CD GLU A 105 11.098 7.667 26.380 1.00 0.00 C ATOM 1599 OE1 GLU A 105 11.132 6.526 26.886 1.00 0.00 O ATOM 1600 OE2 GLU A 105 10.422 8.605 26.850 1.00 0.00 O ATOM 0 H GLU A 105 13.233 8.185 22.374 1.00 0.00 H new ATOM 0 HA GLU A 105 15.287 8.212 24.393 1.00 0.00 H new ATOM 0 HB2 GLU A 105 13.676 7.211 26.118 1.00 0.00 H new ATOM 0 HB3 GLU A 105 13.631 8.950 25.902 1.00 0.00 H new ATOM 0 HG2 GLU A 105 11.592 8.861 24.674 1.00 0.00 H new ATOM 0 HG3 GLU A 105 11.729 7.134 24.406 1.00 0.00 H new ATOM 1607 N ASP A 106 15.000 5.586 24.557 1.00 0.00 N ATOM 1608 CA ASP A 106 15.142 4.164 24.265 1.00 0.00 C ATOM 1609 C ASP A 106 14.113 3.345 25.037 1.00 0.00 C ATOM 1610 O ASP A 106 14.077 3.376 26.267 1.00 0.00 O ATOM 1611 CB ASP A 106 16.554 3.689 24.612 1.00 0.00 C ATOM 1612 CG ASP A 106 17.626 4.608 24.060 1.00 0.00 C ATOM 1613 OD1 ASP A 106 17.762 5.737 24.577 1.00 0.00 O ATOM 1614 OD2 ASP A 106 18.329 4.200 23.112 1.00 0.00 O ATOM 0 H ASP A 106 15.435 5.883 25.431 1.00 0.00 H new ATOM 0 HA ASP A 106 14.969 4.019 23.199 1.00 0.00 H new ATOM 0 HB2 ASP A 106 16.657 3.625 25.695 1.00 0.00 H new ATOM 0 HB3 ASP A 106 16.703 2.684 24.218 1.00 0.00 H new ATOM 1619 N ILE A 107 13.277 2.614 24.306 1.00 0.00 N ATOM 1620 CA ILE A 107 12.247 1.787 24.923 1.00 0.00 C ATOM 1621 C ILE A 107 12.538 0.304 24.719 1.00 0.00 C ATOM 1622 O ILE A 107 12.809 -0.138 23.603 1.00 0.00 O ATOM 1623 CB ILE A 107 10.853 2.108 24.354 1.00 0.00 C ATOM 1624 CG1 ILE A 107 10.542 3.598 24.518 1.00 0.00 C ATOM 1625 CG2 ILE A 107 9.792 1.262 25.042 1.00 0.00 C ATOM 1626 CD1 ILE A 107 9.238 4.017 23.874 1.00 0.00 C ATOM 0 H ILE A 107 13.293 2.578 23.287 1.00 0.00 H new ATOM 0 HA ILE A 107 12.256 2.013 25.989 1.00 0.00 H new ATOM 0 HB ILE A 107 10.847 1.869 23.291 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.507 3.839 25.580 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.355 4.181 24.085 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.812 1.501 24.629 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.007 0.206 24.879 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.796 1.473 26.111 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.082 5.085 24.029 1.00 0.00 H new ATOM 0 HD12 ILE A 107 9.276 3.808 22.805 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.415 3.461 24.323 1.00 0.00 H new ATOM 1638 N MET A 108 12.478 -0.459 25.805 1.00 0.00 N ATOM 1639 CA MET A 108 12.733 -1.894 25.745 1.00 0.00 C ATOM 1640 C MET A 108 11.499 -2.644 25.253 1.00 0.00 C ATOM 1641 O MET A 108 10.372 -2.312 25.621 1.00 0.00 O ATOM 1642 CB MET A 108 13.148 -2.418 27.121 1.00 0.00 C ATOM 1643 CG MET A 108 14.557 -2.015 27.524 1.00 0.00 C ATOM 1644 SD MET A 108 15.197 -3.002 28.891 1.00 0.00 S ATOM 1645 CE MET A 108 16.656 -3.717 28.138 1.00 0.00 C ATOM 0 H MET A 108 12.255 -0.108 26.737 1.00 0.00 H new ATOM 0 HA MET A 108 13.546 -2.065 25.039 1.00 0.00 H new ATOM 0 HB2 MET A 108 12.445 -2.049 27.868 1.00 0.00 H new ATOM 0 HB3 MET A 108 13.075 -3.506 27.124 1.00 0.00 H new ATOM 0 HG2 MET A 108 15.220 -2.118 26.665 1.00 0.00 H new ATOM 0 HG3 MET A 108 14.563 -0.962 27.807 1.00 0.00 H new ATOM 0 HE1 MET A 108 17.163 -4.356 28.861 1.00 0.00 H new ATOM 0 HE2 MET A 108 16.365 -4.310 27.271 1.00 0.00 H new ATOM 0 HE3 MET A 108 17.330 -2.921 27.823 1.00 0.00 H new ATOM 1655 N ILE A 109 11.720 -3.657 24.421 1.00 0.00 N ATOM 1656 CA ILE A 109 10.625 -4.454 23.881 1.00 0.00 C ATOM 1657 C ILE A 109 10.818 -5.934 24.191 1.00 0.00 C ATOM 1658 O ILE A 109 11.557 -6.635 23.498 1.00 0.00 O ATOM 1659 CB ILE A 109 10.496 -4.273 22.357 1.00 0.00 C ATOM 1660 CG1 ILE A 109 10.349 -2.790 22.008 1.00 0.00 C ATOM 1661 CG2 ILE A 109 9.311 -5.066 21.828 1.00 0.00 C ATOM 1662 CD1 ILE A 109 9.161 -2.128 22.670 1.00 0.00 C ATOM 0 H ILE A 109 12.647 -3.945 24.107 1.00 0.00 H new ATOM 0 HA ILE A 109 9.711 -4.101 24.359 1.00 0.00 H new ATOM 0 HB ILE A 109 11.402 -4.651 21.883 1.00 0.00 H new ATOM 0 HG12 ILE A 109 11.258 -2.264 22.301 1.00 0.00 H new ATOM 0 HG13 ILE A 109 10.256 -2.687 20.927 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.233 -4.928 20.750 1.00 0.00 H new ATOM 0 HG22 ILE A 109 9.453 -6.124 22.049 1.00 0.00 H new ATOM 0 HG23 ILE A 109 8.396 -4.715 22.306 1.00 0.00 H new ATOM 0 HD11 ILE A 109 9.119 -1.079 22.378 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.245 -2.628 22.357 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.262 -2.199 23.753 1.00 0.00 H new ATOM 1674 N THR A 110 10.148 -6.406 25.238 1.00 0.00 N ATOM 1675 CA THR A 110 10.244 -7.804 25.640 1.00 0.00 C ATOM 1676 C THR A 110 9.283 -8.674 24.839 1.00 0.00 C ATOM 1677 O THR A 110 8.066 -8.499 24.909 1.00 0.00 O ATOM 1678 CB THR A 110 9.947 -7.978 27.141 1.00 0.00 C ATOM 1679 OG1 THR A 110 10.650 -6.986 27.898 1.00 0.00 O ATOM 1680 CG2 THR A 110 10.352 -9.366 27.616 1.00 0.00 C ATOM 0 H THR A 110 9.533 -5.840 25.823 1.00 0.00 H new ATOM 0 HA THR A 110 11.268 -8.121 25.441 1.00 0.00 H new ATOM 0 HB THR A 110 8.874 -7.858 27.292 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.454 -7.102 28.851 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.133 -9.465 28.679 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.794 -10.118 27.059 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.420 -9.510 27.451 1.00 0.00 H new ATOM 1688 N VAL A 111 9.835 -9.614 24.079 1.00 0.00 N ATOM 1689 CA VAL A 111 9.026 -10.514 23.266 1.00 0.00 C ATOM 1690 C VAL A 111 9.374 -11.971 23.547 1.00 0.00 C ATOM 1691 O VAL A 111 10.536 -12.309 23.776 1.00 0.00 O ATOM 1692 CB VAL A 111 9.213 -10.233 21.763 1.00 0.00 C ATOM 1693 CG1 VAL A 111 8.424 -11.233 20.931 1.00 0.00 C ATOM 1694 CG2 VAL A 111 8.798 -8.808 21.432 1.00 0.00 C ATOM 0 H VAL A 111 10.840 -9.772 24.009 1.00 0.00 H new ATOM 0 HA VAL A 111 7.985 -10.334 23.535 1.00 0.00 H new ATOM 0 HB VAL A 111 10.269 -10.346 21.519 1.00 0.00 H new ATOM 0 HG11 VAL A 111 8.568 -11.019 19.872 1.00 0.00 H new ATOM 0 HG12 VAL A 111 8.773 -12.243 21.148 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.365 -11.155 21.176 1.00 0.00 H new ATOM 0 HG21 VAL A 111 8.937 -8.627 20.366 1.00 0.00 H new ATOM 0 HG22 VAL A 111 7.749 -8.665 21.691 1.00 0.00 H new ATOM 0 HG23 VAL A 111 9.411 -8.109 22.001 1.00 0.00 H new ATOM 1704 N ILE A 112 8.361 -12.830 23.528 1.00 0.00 N ATOM 1705 CA ILE A 112 8.560 -14.252 23.779 1.00 0.00 C ATOM 1706 C ILE A 112 8.260 -15.078 22.532 1.00 0.00 C ATOM 1707 O ILE A 112 7.141 -15.549 22.324 1.00 0.00 O ATOM 1708 CB ILE A 112 7.674 -14.749 24.936 1.00 0.00 C ATOM 1709 CG1 ILE A 112 7.837 -13.842 26.158 1.00 0.00 C ATOM 1710 CG2 ILE A 112 8.021 -16.188 25.289 1.00 0.00 C ATOM 1711 CD1 ILE A 112 9.265 -13.731 26.642 1.00 0.00 C ATOM 0 H ILE A 112 7.394 -12.566 23.341 1.00 0.00 H new ATOM 0 HA ILE A 112 9.607 -14.380 24.053 1.00 0.00 H new ATOM 0 HB ILE A 112 6.632 -14.714 24.617 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.466 -12.847 25.913 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.216 -14.223 26.969 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.386 -16.525 26.109 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.859 -16.825 24.419 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.066 -16.246 25.592 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.305 -13.073 27.510 1.00 0.00 H new ATOM 0 HD12 ILE A 112 9.633 -14.719 26.918 1.00 0.00 H new ATOM 0 HD13 ILE A 112 9.888 -13.321 25.847 1.00 0.00 H new ATOM 1723 N PRO A 113 9.282 -15.260 21.683 1.00 0.00 N ATOM 1724 CA PRO A 113 9.152 -16.032 20.443 1.00 0.00 C ATOM 1725 C PRO A 113 8.975 -17.524 20.705 1.00 0.00 C ATOM 1726 O PRO A 113 9.720 -18.119 21.483 1.00 0.00 O ATOM 1727 CB PRO A 113 10.476 -15.769 19.722 1.00 0.00 C ATOM 1728 CG PRO A 113 11.440 -15.437 20.808 1.00 0.00 C ATOM 1729 CD PRO A 113 10.642 -14.728 21.867 1.00 0.00 C ATOM 0 HA PRO A 113 8.273 -15.738 19.870 1.00 0.00 H new ATOM 0 HB2 PRO A 113 10.800 -16.644 19.159 1.00 0.00 H new ATOM 0 HB3 PRO A 113 10.383 -14.948 19.011 1.00 0.00 H new ATOM 0 HG2 PRO A 113 11.904 -16.339 21.207 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.244 -14.803 20.435 1.00 0.00 H new ATOM 0 HD2 PRO A 113 11.024 -14.938 22.866 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.672 -13.646 21.736 1.00 0.00 H new ATOM 1737 N GLU A 114 7.985 -18.122 20.050 1.00 0.00 N ATOM 1738 CA GLU A 114 7.711 -19.545 20.213 1.00 0.00 C ATOM 1739 C GLU A 114 8.492 -20.370 19.194 1.00 0.00 C ATOM 1740 O GLU A 114 8.628 -19.976 18.036 1.00 0.00 O ATOM 1741 CB GLU A 114 6.213 -19.819 20.067 1.00 0.00 C ATOM 1742 CG GLU A 114 5.339 -18.854 20.850 1.00 0.00 C ATOM 1743 CD GLU A 114 3.877 -19.257 20.846 1.00 0.00 C ATOM 1744 OE1 GLU A 114 3.506 -20.149 21.637 1.00 0.00 O ATOM 1745 OE2 GLU A 114 3.104 -18.681 20.052 1.00 0.00 O ATOM 0 H GLU A 114 7.360 -17.643 19.402 1.00 0.00 H new ATOM 0 HA GLU A 114 8.031 -19.838 21.213 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.944 -19.766 19.012 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.004 -20.836 20.399 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.695 -18.801 21.879 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.438 -17.855 20.426 1.00 0.00 H new