USER MOD reduce.3.24.130724 H: found=0, std=0, add=759, rem=0, adj=22 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= -0.281 X(o=-0.28,f=-0.74) USER MOD Single : A 19 LYS NZ :NH3+ -138:sc= 1.08 (180deg=0.319) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -130:sc= -0.0621 (180deg=-5.42!) USER MOD Single : A 26 MET CE :methyl -171:sc= -1.03 (180deg=-1.28) USER MOD Single : A 27 SER OG : rot 46:sc= 0.212 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.593 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0245 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+ 150:sc= 0.633 (180deg=0.227) USER MOD Single : A 40 HIS : no HE2:sc= -0.427 K(o=-0.43,f=-1.4) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot -129:sc= 1.22 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0685 USER MOD Single : A 76 ASN : amide:sc= -0.0736 X(o=-0.074,f=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 52:sc= 0.221 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot -61:sc= 0.742 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN :FLIP amide:sc= -0.0209 F(o=-0.55,f=-0.021) USER MOD Single : A 98 MET CE :methyl 169:sc= -2.03! (180deg=-2.41!) USER MOD Single : A 104 ASN : amide:sc= -0.128 X(o=-0.13,f=0) 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 12.157 -20.198 15.680 1.00 0.00 N ATOM 256 CA LYS A 19 11.164 -19.382 16.368 1.00 0.00 C ATOM 257 C LYS A 19 10.452 -18.452 15.391 1.00 0.00 C ATOM 258 O LYS A 19 10.908 -18.253 14.264 1.00 0.00 O ATOM 259 CB LYS A 19 11.827 -18.563 17.477 1.00 0.00 C ATOM 260 CG LYS A 19 11.799 -19.243 18.835 1.00 0.00 C ATOM 261 CD LYS A 19 12.835 -20.350 18.926 1.00 0.00 C ATOM 262 CE LYS A 19 13.623 -20.271 20.225 1.00 0.00 C ATOM 263 NZ LYS A 19 14.807 -21.174 20.211 1.00 0.00 N ATOM 0 HA LYS A 19 10.425 -20.050 16.810 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.863 -18.364 17.201 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.327 -17.598 17.553 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.984 -18.505 19.616 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.807 -19.656 19.015 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.341 -21.319 18.858 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.519 -20.280 18.080 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.951 -19.245 20.389 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.974 -20.536 21.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.892 -21.650 21.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.691 -21.887 19.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.666 -20.617 20.029 1.00 0.00 H new ATOM 277 N TYR A 20 9.334 -17.884 15.829 1.00 0.00 N ATOM 278 CA TYR A 20 8.560 -16.975 14.992 1.00 0.00 C ATOM 279 C TYR A 20 7.829 -15.941 15.843 1.00 0.00 C ATOM 280 O TYR A 20 7.484 -16.201 16.996 1.00 0.00 O ATOM 281 CB TYR A 20 7.554 -17.759 14.147 1.00 0.00 C ATOM 282 CG TYR A 20 6.161 -17.788 14.734 1.00 0.00 C ATOM 283 CD1 TYR A 20 5.841 -18.656 15.770 1.00 0.00 C ATOM 284 CD2 TYR A 20 5.166 -16.945 14.254 1.00 0.00 C ATOM 285 CE1 TYR A 20 4.569 -18.686 16.309 1.00 0.00 C ATOM 286 CE2 TYR A 20 3.892 -16.968 14.788 1.00 0.00 C ATOM 287 CZ TYR A 20 3.599 -17.840 15.815 1.00 0.00 C ATOM 288 OH TYR A 20 2.331 -17.866 16.351 1.00 0.00 O ATOM 0 H TYR A 20 8.943 -18.037 16.759 1.00 0.00 H new ATOM 0 HA TYR A 20 9.251 -16.452 14.331 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.510 -17.320 13.150 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.911 -18.782 14.029 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.599 -19.319 16.161 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.392 -16.260 13.450 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.336 -19.369 17.113 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.130 -16.307 14.403 1.00 0.00 H new ATOM 0 HH TYR A 20 1.768 -17.208 15.892 1.00 0.00 H new ATOM 298 N ILE A 21 7.596 -14.767 15.265 1.00 0.00 N ATOM 299 CA ILE A 21 6.905 -13.694 15.969 1.00 0.00 C ATOM 300 C ILE A 21 6.089 -12.841 15.004 1.00 0.00 C ATOM 301 O ILE A 21 5.675 -11.731 15.337 1.00 0.00 O ATOM 302 CB ILE A 21 7.895 -12.788 16.725 1.00 0.00 C ATOM 303 CG1 ILE A 21 8.935 -12.214 15.760 1.00 0.00 C ATOM 304 CG2 ILE A 21 8.574 -13.564 17.844 1.00 0.00 C ATOM 305 CD1 ILE A 21 9.759 -11.095 16.356 1.00 0.00 C ATOM 0 H ILE A 21 7.875 -14.535 14.312 1.00 0.00 H new ATOM 0 HA ILE A 21 6.236 -14.167 16.688 1.00 0.00 H new ATOM 0 HB ILE A 21 7.342 -11.960 17.167 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.602 -13.014 15.439 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.427 -11.846 14.869 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.271 -12.911 18.369 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.821 -13.928 18.543 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.117 -14.410 17.423 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.475 -10.737 15.616 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.102 -10.277 16.651 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.295 -11.464 17.231 1.00 0.00 H new ATOM 317 N GLY A 22 5.858 -13.369 13.805 1.00 0.00 N ATOM 318 CA GLY A 22 5.090 -12.644 12.811 1.00 0.00 C ATOM 319 C GLY A 22 5.566 -11.215 12.638 1.00 0.00 C ATOM 320 O GLY A 22 4.952 -10.282 13.157 1.00 0.00 O ATOM 0 H GLY A 22 6.189 -14.286 13.505 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.156 -13.164 11.855 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.039 -12.641 13.100 1.00 0.00 H new ATOM 324 N ILE A 23 6.664 -11.043 11.909 1.00 0.00 N ATOM 325 CA ILE A 23 7.222 -9.718 11.671 1.00 0.00 C ATOM 326 C ILE A 23 7.946 -9.660 10.330 1.00 0.00 C ATOM 327 O ILE A 23 8.645 -10.598 9.949 1.00 0.00 O ATOM 328 CB ILE A 23 8.201 -9.311 12.788 1.00 0.00 C ATOM 329 CG1 ILE A 23 9.407 -10.252 12.807 1.00 0.00 C ATOM 330 CG2 ILE A 23 7.497 -9.315 14.137 1.00 0.00 C ATOM 331 CD1 ILE A 23 10.664 -9.636 12.233 1.00 0.00 C ATOM 0 H ILE A 23 7.184 -11.805 11.473 1.00 0.00 H new ATOM 0 HA ILE A 23 6.385 -9.020 11.660 1.00 0.00 H new ATOM 0 HB ILE A 23 8.556 -8.300 12.589 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.600 -10.561 13.834 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.164 -11.153 12.243 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.202 -9.025 14.916 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.668 -8.608 14.117 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.116 -10.315 14.346 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.478 -10.360 12.279 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.489 -9.352 11.195 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.932 -8.751 12.811 1.00 0.00 H new ATOM 343 N ARG A 24 7.773 -8.550 9.619 1.00 0.00 N ATOM 344 CA ARG A 24 8.410 -8.368 8.320 1.00 0.00 C ATOM 345 C ARG A 24 9.404 -7.211 8.359 1.00 0.00 C ATOM 346 O ARG A 24 9.061 -6.099 8.761 1.00 0.00 O ATOM 347 CB ARG A 24 7.355 -8.113 7.242 1.00 0.00 C ATOM 348 CG ARG A 24 6.347 -9.241 7.097 1.00 0.00 C ATOM 349 CD ARG A 24 5.759 -9.286 5.695 1.00 0.00 C ATOM 350 NE ARG A 24 5.189 -10.594 5.383 1.00 0.00 N ATOM 351 CZ ARG A 24 4.465 -10.839 4.296 1.00 0.00 C ATOM 352 NH1 ARG A 24 4.225 -9.871 3.423 1.00 0.00 N ATOM 353 NH2 ARG A 24 3.981 -12.056 4.082 1.00 0.00 N ATOM 0 H ARG A 24 7.197 -7.764 9.921 1.00 0.00 H new ATOM 0 HA ARG A 24 8.953 -9.282 8.078 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.824 -7.191 7.477 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.855 -7.959 6.286 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.829 -10.192 7.321 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.546 -9.110 7.825 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.987 -8.522 5.601 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.535 -9.046 4.968 1.00 0.00 H new ATOM 0 HE ARG A 24 5.356 -11.361 6.035 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.596 -8.935 3.585 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.669 -10.062 2.590 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.165 -12.803 4.752 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.425 -12.244 3.248 1.00 0.00 H new ATOM 367 N MET A 25 10.635 -7.481 7.939 1.00 0.00 N ATOM 368 CA MET A 25 11.678 -6.462 7.926 1.00 0.00 C ATOM 369 C MET A 25 12.503 -6.545 6.645 1.00 0.00 C ATOM 370 O MET A 25 12.555 -7.590 5.997 1.00 0.00 O ATOM 371 CB MET A 25 12.590 -6.618 9.145 1.00 0.00 C ATOM 372 CG MET A 25 11.834 -6.847 10.443 1.00 0.00 C ATOM 373 SD MET A 25 12.924 -6.932 11.876 1.00 0.00 S ATOM 374 CE MET A 25 13.735 -8.503 11.592 1.00 0.00 C ATOM 0 H MET A 25 10.935 -8.396 7.603 1.00 0.00 H new ATOM 0 HA MET A 25 11.197 -5.485 7.965 1.00 0.00 H new ATOM 0 HB2 MET A 25 13.268 -7.454 8.977 1.00 0.00 H new ATOM 0 HB3 MET A 25 13.205 -5.724 9.245 1.00 0.00 H new ATOM 0 HG2 MET A 25 11.114 -6.041 10.586 1.00 0.00 H new ATOM 0 HG3 MET A 25 11.265 -7.774 10.369 1.00 0.00 H new ATOM 0 HE1 MET A 25 13.684 -9.108 12.497 1.00 0.00 H new ATOM 0 HE2 MET A 25 13.237 -9.027 10.777 1.00 0.00 H new ATOM 0 HE3 MET A 25 14.779 -8.331 11.329 1.00 0.00 H new ATOM 384 N MET A 26 13.146 -5.438 6.288 1.00 0.00 N ATOM 385 CA MET A 26 13.970 -5.388 5.085 1.00 0.00 C ATOM 386 C MET A 26 15.377 -4.898 5.410 1.00 0.00 C ATOM 387 O MET A 26 15.588 -4.199 6.401 1.00 0.00 O ATOM 388 CB MET A 26 13.328 -4.474 4.040 1.00 0.00 C ATOM 389 CG MET A 26 13.237 -3.021 4.477 1.00 0.00 C ATOM 390 SD MET A 26 13.590 -1.869 3.135 1.00 0.00 S ATOM 391 CE MET A 26 13.262 -0.302 3.939 1.00 0.00 C ATOM 0 H MET A 26 13.113 -4.564 6.814 1.00 0.00 H new ATOM 0 HA MET A 26 14.041 -6.398 4.680 1.00 0.00 H new ATOM 0 HB2 MET A 26 13.904 -4.532 3.116 1.00 0.00 H new ATOM 0 HB3 MET A 26 12.326 -4.841 3.815 1.00 0.00 H new ATOM 0 HG2 MET A 26 12.238 -2.824 4.866 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.937 -2.847 5.294 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.280 0.498 3.198 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.281 -0.335 4.414 1.00 0.00 H new ATOM 0 HE3 MET A 26 14.025 -0.114 4.694 1.00 0.00 H new ATOM 401 N SER A 27 16.337 -5.271 4.570 1.00 0.00 N ATOM 402 CA SER A 27 17.726 -4.873 4.770 1.00 0.00 C ATOM 403 C SER A 27 17.873 -3.356 4.692 1.00 0.00 C ATOM 404 O SER A 27 17.762 -2.764 3.617 1.00 0.00 O ATOM 405 CB SER A 27 18.625 -5.538 3.727 1.00 0.00 C ATOM 406 OG SER A 27 18.094 -5.383 2.422 1.00 0.00 O ATOM 0 H SER A 27 16.179 -5.848 3.744 1.00 0.00 H new ATOM 0 HA SER A 27 18.032 -5.200 5.764 1.00 0.00 H new ATOM 0 HB2 SER A 27 19.623 -5.101 3.771 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.731 -6.598 3.956 1.00 0.00 H new ATOM 0 HG SER A 27 17.805 -4.455 2.294 1.00 0.00 H new ATOM 412 N LEU A 28 18.123 -2.732 5.838 1.00 0.00 N ATOM 413 CA LEU A 28 18.285 -1.284 5.901 1.00 0.00 C ATOM 414 C LEU A 28 19.609 -0.857 5.275 1.00 0.00 C ATOM 415 O LEU A 28 20.646 -1.483 5.500 1.00 0.00 O ATOM 416 CB LEU A 28 18.216 -0.806 7.352 1.00 0.00 C ATOM 417 CG LEU A 28 17.165 0.261 7.658 1.00 0.00 C ATOM 418 CD1 LEU A 28 17.171 0.608 9.139 1.00 0.00 C ATOM 419 CD2 LEU A 28 17.407 1.505 6.816 1.00 0.00 C ATOM 0 H LEU A 28 18.218 -3.206 6.736 1.00 0.00 H new ATOM 0 HA LEU A 28 17.473 -0.827 5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 28 18.024 -1.669 7.989 1.00 0.00 H new ATOM 0 HB3 LEU A 28 19.194 -0.415 7.631 1.00 0.00 H new ATOM 0 HG LEU A 28 16.184 -0.140 7.404 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.416 1.369 9.337 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.948 -0.285 9.723 1.00 0.00 H new ATOM 0 HD13 LEU A 28 18.153 0.989 9.419 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.649 2.254 7.047 1.00 0.00 H new ATOM 0 HD22 LEU A 28 18.395 1.908 7.038 1.00 0.00 H new ATOM 0 HD23 LEU A 28 17.350 1.246 5.759 1.00 0.00 H new ATOM 431 N THR A 29 19.568 0.215 4.490 1.00 0.00 N ATOM 432 CA THR A 29 20.764 0.727 3.833 1.00 0.00 C ATOM 433 C THR A 29 20.969 2.206 4.139 1.00 0.00 C ATOM 434 O THR A 29 20.016 2.926 4.437 1.00 0.00 O ATOM 435 CB THR A 29 20.691 0.536 2.306 1.00 0.00 C ATOM 436 OG1 THR A 29 19.711 1.418 1.748 1.00 0.00 O ATOM 437 CG2 THR A 29 20.344 -0.903 1.957 1.00 0.00 C ATOM 0 H THR A 29 18.719 0.745 4.294 1.00 0.00 H new ATOM 0 HA THR A 29 21.607 0.158 4.224 1.00 0.00 H new ATOM 0 HB THR A 29 21.669 0.769 1.886 1.00 0.00 H new ATOM 0 HG1 THR A 29 19.672 1.291 0.777 1.00 0.00 H new ATOM 0 HG21 THR A 29 20.298 -1.014 0.874 1.00 0.00 H new ATOM 0 HG22 THR A 29 21.108 -1.569 2.358 1.00 0.00 H new ATOM 0 HG23 THR A 29 19.377 -1.159 2.389 1.00 0.00 H new ATOM 445 N SER A 30 22.218 2.654 4.063 1.00 0.00 N ATOM 446 CA SER A 30 22.549 4.048 4.335 1.00 0.00 C ATOM 447 C SER A 30 21.761 4.981 3.421 1.00 0.00 C ATOM 448 O SER A 30 21.441 6.109 3.795 1.00 0.00 O ATOM 449 CB SER A 30 24.050 4.283 4.152 1.00 0.00 C ATOM 450 OG SER A 30 24.551 3.546 3.051 1.00 0.00 O ATOM 0 H SER A 30 23.018 2.072 3.815 1.00 0.00 H new ATOM 0 HA SER A 30 22.278 4.266 5.368 1.00 0.00 H new ATOM 0 HB2 SER A 30 24.239 5.345 3.999 1.00 0.00 H new ATOM 0 HB3 SER A 30 24.580 3.993 5.059 1.00 0.00 H new ATOM 0 HG SER A 30 25.512 3.715 2.954 1.00 0.00 H new ATOM 456 N SER A 31 21.453 4.502 2.220 1.00 0.00 N ATOM 457 CA SER A 31 20.706 5.294 1.250 1.00 0.00 C ATOM 458 C SER A 31 19.224 5.341 1.612 1.00 0.00 C ATOM 459 O SER A 31 18.643 6.416 1.760 1.00 0.00 O ATOM 460 CB SER A 31 20.880 4.714 -0.155 1.00 0.00 C ATOM 461 OG SER A 31 22.203 4.246 -0.353 1.00 0.00 O ATOM 0 H SER A 31 21.709 3.570 1.895 1.00 0.00 H new ATOM 0 HA SER A 31 21.099 6.310 1.268 1.00 0.00 H new ATOM 0 HB2 SER A 31 20.175 3.896 -0.304 1.00 0.00 H new ATOM 0 HB3 SER A 31 20.645 5.476 -0.898 1.00 0.00 H new ATOM 0 HG SER A 31 22.288 3.879 -1.258 1.00 0.00 H new ATOM 467 N LYS A 32 18.619 4.167 1.754 1.00 0.00 N ATOM 468 CA LYS A 32 17.206 4.071 2.100 1.00 0.00 C ATOM 469 C LYS A 32 16.904 4.851 3.376 1.00 0.00 C ATOM 470 O LYS A 32 15.979 5.662 3.415 1.00 0.00 O ATOM 471 CB LYS A 32 16.801 2.606 2.278 1.00 0.00 C ATOM 472 CG LYS A 32 15.331 2.417 2.609 1.00 0.00 C ATOM 473 CD LYS A 32 14.443 2.773 1.427 1.00 0.00 C ATOM 474 CE LYS A 32 13.132 3.395 1.883 1.00 0.00 C ATOM 475 NZ LYS A 32 12.069 3.266 0.849 1.00 0.00 N ATOM 0 H LYS A 32 19.086 3.268 1.635 1.00 0.00 H new ATOM 0 HA LYS A 32 16.628 4.505 1.284 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.032 2.060 1.363 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.403 2.165 3.073 1.00 0.00 H new ATOM 0 HG2 LYS A 32 15.153 1.382 2.900 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.067 3.039 3.464 1.00 0.00 H new ATOM 0 HD2 LYS A 32 14.968 3.468 0.772 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.238 1.877 0.842 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.803 2.914 2.804 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.290 4.449 2.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 11.191 3.702 1.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 12.372 3.746 -0.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 11.900 2.260 0.649 1.00 0.00 H new ATOM 489 N ALA A 33 17.692 4.602 4.417 1.00 0.00 N ATOM 490 CA ALA A 33 17.511 5.284 5.692 1.00 0.00 C ATOM 491 C ALA A 33 17.543 6.798 5.515 1.00 0.00 C ATOM 492 O ALA A 33 16.689 7.514 6.040 1.00 0.00 O ATOM 493 CB ALA A 33 18.579 4.844 6.682 1.00 0.00 C ATOM 0 H ALA A 33 18.462 3.933 4.402 1.00 0.00 H new ATOM 0 HA ALA A 33 16.532 5.011 6.085 1.00 0.00 H new ATOM 0 HB1 ALA A 33 18.432 5.361 7.630 1.00 0.00 H new ATOM 0 HB2 ALA A 33 18.507 3.768 6.841 1.00 0.00 H new ATOM 0 HB3 ALA A 33 19.565 5.087 6.286 1.00 0.00 H new ATOM 499 N LYS A 34 18.532 7.282 4.772 1.00 0.00 N ATOM 500 CA LYS A 34 18.676 8.711 4.524 1.00 0.00 C ATOM 501 C LYS A 34 17.373 9.306 4.000 1.00 0.00 C ATOM 502 O LYS A 34 17.042 10.454 4.296 1.00 0.00 O ATOM 503 CB LYS A 34 19.804 8.965 3.521 1.00 0.00 C ATOM 504 CG LYS A 34 20.874 9.912 4.037 1.00 0.00 C ATOM 505 CD LYS A 34 21.806 9.219 5.017 1.00 0.00 C ATOM 506 CE LYS A 34 23.225 9.140 4.477 1.00 0.00 C ATOM 507 NZ LYS A 34 23.965 10.418 4.673 1.00 0.00 N ATOM 0 H LYS A 34 19.247 6.704 4.330 1.00 0.00 H new ATOM 0 HA LYS A 34 18.922 9.195 5.469 1.00 0.00 H new ATOM 0 HB2 LYS A 34 20.268 8.014 3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.379 9.375 2.605 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.451 10.302 3.199 1.00 0.00 H new ATOM 0 HG3 LYS A 34 20.402 10.765 4.524 1.00 0.00 H new ATOM 0 HD2 LYS A 34 21.806 9.758 5.964 1.00 0.00 H new ATOM 0 HD3 LYS A 34 21.437 8.214 5.222 1.00 0.00 H new ATOM 0 HE2 LYS A 34 23.759 8.331 4.976 1.00 0.00 H new ATOM 0 HE3 LYS A 34 23.196 8.896 3.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 24.928 10.324 4.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 23.470 11.186 4.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 24.015 10.638 5.688 1.00 0.00 H new ATOM 521 N GLU A 35 16.638 8.517 3.223 1.00 0.00 N ATOM 522 CA GLU A 35 15.370 8.968 2.659 1.00 0.00 C ATOM 523 C GLU A 35 14.225 8.732 3.640 1.00 0.00 C ATOM 524 O GLU A 35 13.215 9.437 3.613 1.00 0.00 O ATOM 525 CB GLU A 35 15.086 8.243 1.342 1.00 0.00 C ATOM 526 CG GLU A 35 15.952 8.717 0.187 1.00 0.00 C ATOM 527 CD GLU A 35 15.620 10.131 -0.249 1.00 0.00 C ATOM 528 OE1 GLU A 35 16.152 11.080 0.364 1.00 0.00 O ATOM 529 OE2 GLU A 35 14.829 10.288 -1.202 1.00 0.00 O ATOM 0 H GLU A 35 16.898 7.564 2.970 1.00 0.00 H new ATOM 0 HA GLU A 35 15.446 10.038 2.467 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.240 7.173 1.485 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.037 8.382 1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 35 17.001 8.668 0.480 1.00 0.00 H new ATOM 0 HG3 GLU A 35 15.825 8.041 -0.659 1.00 0.00 H new ATOM 536 N LEU A 36 14.389 7.737 4.504 1.00 0.00 N ATOM 537 CA LEU A 36 13.369 7.406 5.493 1.00 0.00 C ATOM 538 C LEU A 36 13.246 8.511 6.538 1.00 0.00 C ATOM 539 O LEU A 36 12.155 8.789 7.038 1.00 0.00 O ATOM 540 CB LEU A 36 13.704 6.079 6.176 1.00 0.00 C ATOM 541 CG LEU A 36 13.209 4.817 5.468 1.00 0.00 C ATOM 542 CD1 LEU A 36 13.833 3.577 6.090 1.00 0.00 C ATOM 543 CD2 LEU A 36 11.690 4.736 5.521 1.00 0.00 C ATOM 0 H LEU A 36 15.219 7.145 4.540 1.00 0.00 H new ATOM 0 HA LEU A 36 12.414 7.311 4.976 1.00 0.00 H new ATOM 0 HB2 LEU A 36 14.787 6.011 6.282 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.285 6.095 7.182 1.00 0.00 H new ATOM 0 HG LEU A 36 13.514 4.867 4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.469 2.689 5.574 1.00 0.00 H new ATOM 0 HD12 LEU A 36 14.918 3.631 5.999 1.00 0.00 H new ATOM 0 HD13 LEU A 36 13.560 3.522 7.144 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.356 3.832 5.012 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.363 4.709 6.560 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.262 5.609 5.028 1.00 0.00 H new ATOM 555 N LYS A 37 14.370 9.140 6.862 1.00 0.00 N ATOM 556 CA LYS A 37 14.389 10.218 7.844 1.00 0.00 C ATOM 557 C LYS A 37 13.877 11.519 7.234 1.00 0.00 C ATOM 558 O LYS A 37 13.164 12.282 7.885 1.00 0.00 O ATOM 559 CB LYS A 37 15.807 10.419 8.384 1.00 0.00 C ATOM 560 CG LYS A 37 15.846 10.918 9.818 1.00 0.00 C ATOM 561 CD LYS A 37 17.231 10.765 10.423 1.00 0.00 C ATOM 562 CE LYS A 37 17.440 11.721 11.588 1.00 0.00 C ATOM 563 NZ LYS A 37 18.852 12.184 11.679 1.00 0.00 N ATOM 0 H LYS A 37 15.281 8.922 6.459 1.00 0.00 H new ATOM 0 HA LYS A 37 13.730 9.938 8.666 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.348 9.475 8.322 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.332 11.130 7.746 1.00 0.00 H new ATOM 0 HG2 LYS A 37 15.549 11.966 9.848 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.123 10.364 10.417 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.369 9.739 10.764 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.986 10.951 9.659 1.00 0.00 H new ATOM 0 HE2 LYS A 37 16.782 12.582 11.473 1.00 0.00 H new ATOM 0 HE3 LYS A 37 17.159 11.227 12.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.878 13.140 12.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 19.392 11.534 12.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 19.273 12.202 10.728 1.00 0.00 H new ATOM 577 N ASP A 38 14.244 11.764 5.981 1.00 0.00 N ATOM 578 CA ASP A 38 13.819 12.972 5.282 1.00 0.00 C ATOM 579 C ASP A 38 12.347 12.884 4.892 1.00 0.00 C ATOM 580 O ASP A 38 11.666 13.902 4.768 1.00 0.00 O ATOM 581 CB ASP A 38 14.678 13.194 4.037 1.00 0.00 C ATOM 582 CG ASP A 38 15.353 14.552 4.034 1.00 0.00 C ATOM 583 OD1 ASP A 38 14.721 15.529 4.487 1.00 0.00 O ATOM 584 OD2 ASP A 38 16.513 14.637 3.579 1.00 0.00 O ATOM 0 H ASP A 38 14.835 11.143 5.428 1.00 0.00 H new ATOM 0 HA ASP A 38 13.947 13.818 5.957 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.437 12.414 3.979 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.055 13.099 3.148 1.00 0.00 H new ATOM 589 N ARG A 39 11.863 11.661 4.699 1.00 0.00 N ATOM 590 CA ARG A 39 10.473 11.441 4.320 1.00 0.00 C ATOM 591 C ARG A 39 9.603 11.213 5.552 1.00 0.00 C ATOM 592 O ARG A 39 8.403 11.490 5.538 1.00 0.00 O ATOM 593 CB ARG A 39 10.363 10.242 3.376 1.00 0.00 C ATOM 594 CG ARG A 39 10.893 10.516 1.979 1.00 0.00 C ATOM 595 CD ARG A 39 10.464 9.436 0.998 1.00 0.00 C ATOM 596 NE ARG A 39 9.449 9.916 0.064 1.00 0.00 N ATOM 597 CZ ARG A 39 9.142 9.297 -1.070 1.00 0.00 C ATOM 598 NH1 ARG A 39 9.768 8.178 -1.409 1.00 0.00 N ATOM 599 NH2 ARG A 39 8.206 9.796 -1.868 1.00 0.00 N ATOM 0 H ARG A 39 12.413 10.808 4.799 1.00 0.00 H new ATOM 0 HA ARG A 39 10.117 12.334 3.806 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.910 9.402 3.804 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.318 9.940 3.306 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.532 11.485 1.635 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.981 10.573 2.006 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.333 9.087 0.441 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.074 8.580 1.549 1.00 0.00 H new ATOM 0 HE ARG A 39 8.948 10.774 0.295 1.00 0.00 H new ATOM 0 HH11 ARG A 39 10.487 7.791 -0.798 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.530 7.705 -2.281 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.722 10.656 -1.610 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.971 9.320 -2.739 1.00 0.00 H new ATOM 613 N HIS A 40 10.216 10.707 6.618 1.00 0.00 N ATOM 614 CA HIS A 40 9.497 10.442 7.859 1.00 0.00 C ATOM 615 C HIS A 40 10.223 11.061 9.050 1.00 0.00 C ATOM 616 O HIS A 40 11.154 10.470 9.597 1.00 0.00 O ATOM 617 CB HIS A 40 9.340 8.936 8.070 1.00 0.00 C ATOM 618 CG HIS A 40 8.869 8.206 6.850 1.00 0.00 C ATOM 619 ND1 HIS A 40 7.864 8.677 6.032 1.00 0.00 N ATOM 620 CD2 HIS A 40 9.274 7.033 6.309 1.00 0.00 C ATOM 621 CE1 HIS A 40 7.669 7.824 5.042 1.00 0.00 C ATOM 622 NE2 HIS A 40 8.512 6.818 5.187 1.00 0.00 N ATOM 0 H HIS A 40 11.208 10.473 6.647 1.00 0.00 H new ATOM 0 HA HIS A 40 8.509 10.896 7.782 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.297 8.520 8.385 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.634 8.763 8.882 1.00 0.00 H new ATOM 0 HD1 HIS A 40 7.351 9.548 6.170 1.00 0.00 H new ATOM 0 HD2 HIS A 40 10.051 6.387 6.689 1.00 0.00 H new ATOM 0 HE1 HIS A 40 6.944 7.931 4.249 1.00 0.00 H new ATOM 630 N ARG A 41 9.792 12.255 9.444 1.00 0.00 N ATOM 631 CA ARG A 41 10.402 12.955 10.568 1.00 0.00 C ATOM 632 C ARG A 41 10.388 12.085 11.822 1.00 0.00 C ATOM 633 O ARG A 41 11.228 12.243 12.708 1.00 0.00 O ATOM 634 CB ARG A 41 9.667 14.269 10.838 1.00 0.00 C ATOM 635 CG ARG A 41 10.330 15.131 11.899 1.00 0.00 C ATOM 636 CD ARG A 41 10.093 16.611 11.642 1.00 0.00 C ATOM 637 NE ARG A 41 11.168 17.210 10.857 1.00 0.00 N ATOM 638 CZ ARG A 41 11.367 18.520 10.761 1.00 0.00 C ATOM 639 NH1 ARG A 41 10.567 19.364 11.399 1.00 0.00 N ATOM 640 NH2 ARG A 41 12.367 18.989 10.026 1.00 0.00 N ATOM 0 H ARG A 41 9.023 12.758 9.001 1.00 0.00 H new ATOM 0 HA ARG A 41 11.438 13.173 10.309 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.602 14.836 9.910 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.646 14.047 11.148 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.941 14.864 12.882 1.00 0.00 H new ATOM 0 HG3 ARG A 41 11.401 14.930 11.915 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.146 16.741 11.118 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.005 17.134 12.594 1.00 0.00 H new ATOM 0 HE ARG A 41 11.801 16.588 10.354 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.797 19.008 11.965 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.722 20.369 11.324 1.00 0.00 H new ATOM 0 HH21 ARG A 41 12.984 18.343 9.534 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.518 19.995 9.953 1.00 0.00 H new ATOM 654 N ASP A 42 9.430 11.168 11.889 1.00 0.00 N ATOM 655 CA ASP A 42 9.307 10.273 13.034 1.00 0.00 C ATOM 656 C ASP A 42 10.542 9.388 13.167 1.00 0.00 C ATOM 657 O ASP A 42 10.939 9.020 14.272 1.00 0.00 O ATOM 658 CB ASP A 42 8.054 9.406 12.898 1.00 0.00 C ATOM 659 CG ASP A 42 7.693 8.704 14.193 1.00 0.00 C ATOM 660 OD1 ASP A 42 8.293 9.037 15.236 1.00 0.00 O ATOM 661 OD2 ASP A 42 6.810 7.821 14.162 1.00 0.00 O ATOM 0 H ASP A 42 8.727 11.024 11.164 1.00 0.00 H new ATOM 0 HA ASP A 42 9.221 10.883 13.933 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.218 10.028 12.580 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.213 8.662 12.117 1.00 0.00 H new ATOM 666 N PHE A 43 11.145 9.048 12.032 1.00 0.00 N ATOM 667 CA PHE A 43 12.334 8.204 12.021 1.00 0.00 C ATOM 668 C PHE A 43 13.402 8.758 12.959 1.00 0.00 C ATOM 669 O PHE A 43 13.663 9.960 13.003 1.00 0.00 O ATOM 670 CB PHE A 43 12.893 8.093 10.601 1.00 0.00 C ATOM 671 CG PHE A 43 13.466 6.741 10.287 1.00 0.00 C ATOM 672 CD1 PHE A 43 12.643 5.701 9.886 1.00 0.00 C ATOM 673 CD2 PHE A 43 14.829 6.510 10.392 1.00 0.00 C ATOM 674 CE1 PHE A 43 13.169 4.456 9.597 1.00 0.00 C ATOM 675 CE2 PHE A 43 15.360 5.267 10.104 1.00 0.00 C ATOM 676 CZ PHE A 43 14.528 4.239 9.705 1.00 0.00 C ATOM 0 H PHE A 43 10.830 9.344 11.108 1.00 0.00 H new ATOM 0 HA PHE A 43 12.049 7.212 12.370 1.00 0.00 H new ATOM 0 HB2 PHE A 43 12.099 8.317 9.888 1.00 0.00 H new ATOM 0 HB3 PHE A 43 13.667 8.848 10.464 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.579 5.865 9.798 1.00 0.00 H new ATOM 0 HD2 PHE A 43 15.484 7.311 10.703 1.00 0.00 H new ATOM 0 HE1 PHE A 43 12.517 3.653 9.287 1.00 0.00 H new ATOM 0 HE2 PHE A 43 16.423 5.100 10.191 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.940 3.267 9.478 1.00 0.00 H new ATOM 686 N PRO A 44 14.037 7.860 13.728 1.00 0.00 N ATOM 687 CA PRO A 44 15.087 8.235 14.679 1.00 0.00 C ATOM 688 C PRO A 44 16.366 8.687 13.982 1.00 0.00 C ATOM 689 O PRO A 44 16.388 8.876 12.766 1.00 0.00 O ATOM 690 CB PRO A 44 15.334 6.942 15.462 1.00 0.00 C ATOM 691 CG PRO A 44 14.916 5.853 14.536 1.00 0.00 C ATOM 692 CD PRO A 44 13.778 6.411 13.727 1.00 0.00 C ATOM 0 HA PRO A 44 14.790 9.078 15.303 1.00 0.00 H new ATOM 0 HB2 PRO A 44 16.383 6.843 15.742 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.754 6.921 16.385 1.00 0.00 H new ATOM 0 HG2 PRO A 44 15.741 5.551 13.892 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.604 4.968 15.090 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.767 6.005 12.715 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.813 6.175 14.175 1.00 0.00 H new ATOM 700 N ASP A 45 17.429 8.859 14.760 1.00 0.00 N ATOM 701 CA ASP A 45 18.712 9.288 14.217 1.00 0.00 C ATOM 702 C ASP A 45 19.628 8.092 13.976 1.00 0.00 C ATOM 703 O ASP A 45 20.833 8.161 14.216 1.00 0.00 O ATOM 704 CB ASP A 45 19.387 10.279 15.167 1.00 0.00 C ATOM 705 CG ASP A 45 20.599 10.944 14.545 1.00 0.00 C ATOM 706 OD1 ASP A 45 20.836 10.736 13.337 1.00 0.00 O ATOM 707 OD2 ASP A 45 21.310 11.674 15.267 1.00 0.00 O ATOM 0 H ASP A 45 17.427 8.708 15.769 1.00 0.00 H new ATOM 0 HA ASP A 45 18.527 9.780 13.262 1.00 0.00 H new ATOM 0 HB2 ASP A 45 18.668 11.043 15.461 1.00 0.00 H new ATOM 0 HB3 ASP A 45 19.688 9.759 16.076 1.00 0.00 H new ATOM 712 N VAL A 46 19.047 6.995 13.500 1.00 0.00 N ATOM 713 CA VAL A 46 19.809 5.783 13.226 1.00 0.00 C ATOM 714 C VAL A 46 19.525 5.261 11.822 1.00 0.00 C ATOM 715 O VAL A 46 18.396 5.339 11.337 1.00 0.00 O ATOM 716 CB VAL A 46 19.491 4.676 14.248 1.00 0.00 C ATOM 717 CG1 VAL A 46 19.721 5.177 15.666 1.00 0.00 C ATOM 718 CG2 VAL A 46 18.062 4.185 14.073 1.00 0.00 C ATOM 0 H VAL A 46 18.050 6.921 13.296 1.00 0.00 H new ATOM 0 HA VAL A 46 20.863 6.048 13.306 1.00 0.00 H new ATOM 0 HB VAL A 46 20.164 3.837 14.071 1.00 0.00 H new ATOM 0 HG11 VAL A 46 19.491 4.381 16.375 1.00 0.00 H new ATOM 0 HG12 VAL A 46 20.763 5.476 15.782 1.00 0.00 H new ATOM 0 HG13 VAL A 46 19.074 6.033 15.859 1.00 0.00 H new ATOM 0 HG21 VAL A 46 17.854 3.403 14.803 1.00 0.00 H new ATOM 0 HG22 VAL A 46 17.371 5.015 14.223 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.935 3.785 13.067 1.00 0.00 H new ATOM 728 N ILE A 47 20.556 4.728 11.175 1.00 0.00 N ATOM 729 CA ILE A 47 20.416 4.190 9.827 1.00 0.00 C ATOM 730 C ILE A 47 20.731 2.699 9.795 1.00 0.00 C ATOM 731 O ILE A 47 20.224 1.965 8.947 1.00 0.00 O ATOM 732 CB ILE A 47 21.338 4.920 8.832 1.00 0.00 C ATOM 733 CG1 ILE A 47 22.756 5.024 9.398 1.00 0.00 C ATOM 734 CG2 ILE A 47 20.786 6.302 8.515 1.00 0.00 C ATOM 735 CD1 ILE A 47 23.751 5.621 8.428 1.00 0.00 C ATOM 0 H ILE A 47 21.497 4.657 11.562 1.00 0.00 H new ATOM 0 HA ILE A 47 19.379 4.346 9.531 1.00 0.00 H new ATOM 0 HB ILE A 47 21.378 4.345 7.907 1.00 0.00 H new ATOM 0 HG12 ILE A 47 22.734 5.631 10.303 1.00 0.00 H new ATOM 0 HG13 ILE A 47 23.096 4.030 9.689 1.00 0.00 H new ATOM 0 HG21 ILE A 47 21.448 6.806 7.811 1.00 0.00 H new ATOM 0 HG22 ILE A 47 19.794 6.205 8.074 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.720 6.887 9.433 1.00 0.00 H new ATOM 0 HD11 ILE A 47 24.734 5.664 8.896 1.00 0.00 H new ATOM 0 HD12 ILE A 47 23.802 5.002 7.532 1.00 0.00 H new ATOM 0 HD13 ILE A 47 23.434 6.628 8.156 1.00 0.00 H new ATOM 747 N SER A 48 21.571 2.256 10.726 1.00 0.00 N ATOM 748 CA SER A 48 21.955 0.852 10.803 1.00 0.00 C ATOM 749 C SER A 48 21.050 0.093 11.769 1.00 0.00 C ATOM 750 O SER A 48 20.864 0.502 12.914 1.00 0.00 O ATOM 751 CB SER A 48 23.414 0.724 11.247 1.00 0.00 C ATOM 752 OG SER A 48 24.245 1.624 10.533 1.00 0.00 O ATOM 0 H SER A 48 21.998 2.850 11.437 1.00 0.00 H new ATOM 0 HA SER A 48 21.845 0.416 9.810 1.00 0.00 H new ATOM 0 HB2 SER A 48 23.491 0.923 12.316 1.00 0.00 H new ATOM 0 HB3 SER A 48 23.758 -0.298 11.087 1.00 0.00 H new ATOM 0 HG SER A 48 25.172 1.524 10.836 1.00 0.00 H new ATOM 758 N GLY A 49 20.490 -1.017 11.297 1.00 0.00 N ATOM 759 CA GLY A 49 19.611 -1.816 12.130 1.00 0.00 C ATOM 760 C GLY A 49 18.516 -2.497 11.332 1.00 0.00 C ATOM 761 O GLY A 49 18.510 -2.442 10.103 1.00 0.00 O ATOM 0 H GLY A 49 20.630 -1.377 10.353 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.198 -2.571 12.653 1.00 0.00 H new ATOM 0 HA3 GLY A 49 19.159 -1.180 12.891 1.00 0.00 H new ATOM 765 N ALA A 50 17.589 -3.141 12.033 1.00 0.00 N ATOM 766 CA ALA A 50 16.485 -3.835 11.382 1.00 0.00 C ATOM 767 C ALA A 50 15.255 -2.938 11.282 1.00 0.00 C ATOM 768 O ALA A 50 14.748 -2.450 12.291 1.00 0.00 O ATOM 769 CB ALA A 50 16.148 -5.114 12.134 1.00 0.00 C ATOM 0 H ALA A 50 17.581 -3.197 13.051 1.00 0.00 H new ATOM 0 HA ALA A 50 16.797 -4.093 10.370 1.00 0.00 H new ATOM 0 HB1 ALA A 50 15.322 -5.622 11.636 1.00 0.00 H new ATOM 0 HB2 ALA A 50 17.020 -5.768 12.148 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.861 -4.870 13.157 1.00 0.00 H new ATOM 775 N TYR A 51 14.782 -2.726 10.059 1.00 0.00 N ATOM 776 CA TYR A 51 13.614 -1.885 9.827 1.00 0.00 C ATOM 777 C TYR A 51 12.346 -2.728 9.733 1.00 0.00 C ATOM 778 O TYR A 51 12.258 -3.646 8.918 1.00 0.00 O ATOM 779 CB TYR A 51 13.793 -1.068 8.547 1.00 0.00 C ATOM 780 CG TYR A 51 12.555 -0.302 8.139 1.00 0.00 C ATOM 781 CD1 TYR A 51 12.163 0.840 8.827 1.00 0.00 C ATOM 782 CD2 TYR A 51 11.777 -0.720 7.066 1.00 0.00 C ATOM 783 CE1 TYR A 51 11.032 1.543 8.458 1.00 0.00 C ATOM 784 CE2 TYR A 51 10.646 -0.022 6.689 1.00 0.00 C ATOM 785 CZ TYR A 51 10.277 1.108 7.388 1.00 0.00 C ATOM 786 OH TYR A 51 9.150 1.805 7.017 1.00 0.00 O ATOM 0 H TYR A 51 15.189 -3.125 9.213 1.00 0.00 H new ATOM 0 HA TYR A 51 13.514 -1.205 10.673 1.00 0.00 H new ATOM 0 HB2 TYR A 51 14.615 -0.366 8.686 1.00 0.00 H new ATOM 0 HB3 TYR A 51 14.080 -1.737 7.736 1.00 0.00 H new ATOM 0 HD1 TYR A 51 12.752 1.184 9.664 1.00 0.00 H new ATOM 0 HD2 TYR A 51 12.061 -1.606 6.517 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.741 2.428 9.004 1.00 0.00 H new ATOM 0 HE2 TYR A 51 10.054 -0.360 5.851 1.00 0.00 H new ATOM 0 HH TYR A 51 8.734 1.367 6.245 1.00 0.00 H new ATOM 796 N ILE A 52 11.366 -2.407 10.572 1.00 0.00 N ATOM 797 CA ILE A 52 10.102 -3.133 10.582 1.00 0.00 C ATOM 798 C ILE A 52 9.121 -2.543 9.575 1.00 0.00 C ATOM 799 O ILE A 52 8.748 -1.373 9.670 1.00 0.00 O ATOM 800 CB ILE A 52 9.457 -3.119 11.980 1.00 0.00 C ATOM 801 CG1 ILE A 52 10.403 -3.741 13.009 1.00 0.00 C ATOM 802 CG2 ILE A 52 8.128 -3.860 11.958 1.00 0.00 C ATOM 803 CD1 ILE A 52 9.845 -3.749 14.416 1.00 0.00 C ATOM 0 H ILE A 52 11.423 -1.650 11.253 1.00 0.00 H new ATOM 0 HA ILE A 52 10.327 -4.163 10.305 1.00 0.00 H new ATOM 0 HB ILE A 52 9.269 -2.084 12.266 1.00 0.00 H new ATOM 0 HG12 ILE A 52 10.629 -4.765 12.711 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.345 -3.192 13.003 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.684 -3.841 12.954 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.454 -3.377 11.251 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.293 -4.894 11.654 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.569 -4.204 15.092 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.645 -2.726 14.734 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.919 -4.323 14.437 1.00 0.00 H new ATOM 815 N ILE A 53 8.706 -3.360 8.613 1.00 0.00 N ATOM 816 CA ILE A 53 7.766 -2.919 7.590 1.00 0.00 C ATOM 817 C ILE A 53 6.331 -3.260 7.979 1.00 0.00 C ATOM 818 O ILE A 53 5.389 -2.591 7.558 1.00 0.00 O ATOM 819 CB ILE A 53 8.080 -3.557 6.224 1.00 0.00 C ATOM 820 CG1 ILE A 53 9.568 -3.407 5.897 1.00 0.00 C ATOM 821 CG2 ILE A 53 7.227 -2.924 5.135 1.00 0.00 C ATOM 822 CD1 ILE A 53 9.972 -4.076 4.602 1.00 0.00 C ATOM 0 H ILE A 53 9.006 -4.331 8.521 1.00 0.00 H new ATOM 0 HA ILE A 53 7.872 -1.837 7.510 1.00 0.00 H new ATOM 0 HB ILE A 53 7.843 -4.620 6.273 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.814 -2.347 5.841 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.155 -3.828 6.713 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.461 -3.386 4.176 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.172 -3.077 5.364 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.436 -1.855 5.084 1.00 0.00 H new ATOM 0 HD11 ILE A 53 11.039 -3.929 4.434 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.757 -5.143 4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.411 -3.638 3.776 1.00 0.00 H new ATOM 834 N GLU A 54 6.175 -4.304 8.787 1.00 0.00 N ATOM 835 CA GLU A 54 4.855 -4.732 9.234 1.00 0.00 C ATOM 836 C GLU A 54 4.965 -5.874 10.240 1.00 0.00 C ATOM 837 O GLU A 54 5.745 -6.808 10.054 1.00 0.00 O ATOM 838 CB GLU A 54 4.005 -5.170 8.039 1.00 0.00 C ATOM 839 CG GLU A 54 2.660 -5.758 8.432 1.00 0.00 C ATOM 840 CD GLU A 54 1.554 -5.383 7.465 1.00 0.00 C ATOM 841 OE1 GLU A 54 1.852 -5.201 6.266 1.00 0.00 O ATOM 842 OE2 GLU A 54 0.392 -5.271 7.907 1.00 0.00 O ATOM 0 H GLU A 54 6.946 -4.868 9.145 1.00 0.00 H new ATOM 0 HA GLU A 54 4.373 -3.886 9.723 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.841 -4.312 7.387 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.560 -5.908 7.460 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.743 -6.844 8.480 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.395 -5.414 9.432 1.00 0.00 H new ATOM 849 N VAL A 55 4.177 -5.792 11.308 1.00 0.00 N ATOM 850 CA VAL A 55 4.185 -6.818 12.344 1.00 0.00 C ATOM 851 C VAL A 55 2.864 -7.579 12.373 1.00 0.00 C ATOM 852 O VAL A 55 1.845 -7.057 12.826 1.00 0.00 O ATOM 853 CB VAL A 55 4.445 -6.209 13.735 1.00 0.00 C ATOM 854 CG1 VAL A 55 4.548 -7.304 14.786 1.00 0.00 C ATOM 855 CG2 VAL A 55 5.705 -5.357 13.716 1.00 0.00 C ATOM 0 H VAL A 55 3.525 -5.026 11.478 1.00 0.00 H new ATOM 0 HA VAL A 55 4.993 -7.508 12.101 1.00 0.00 H new ATOM 0 HB VAL A 55 3.603 -5.567 13.995 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.732 -6.855 15.762 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.616 -7.869 14.816 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.370 -7.974 14.534 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.874 -4.935 14.707 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.558 -5.975 13.435 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.588 -4.550 12.993 1.00 0.00 H new ATOM 865 N ILE A 56 2.890 -8.816 11.889 1.00 0.00 N ATOM 866 CA ILE A 56 1.695 -9.650 11.861 1.00 0.00 C ATOM 867 C ILE A 56 0.993 -9.650 13.215 1.00 0.00 C ATOM 868 O ILE A 56 1.620 -9.783 14.267 1.00 0.00 O ATOM 869 CB ILE A 56 2.031 -11.102 11.469 1.00 0.00 C ATOM 870 CG1 ILE A 56 2.777 -11.133 10.134 1.00 0.00 C ATOM 871 CG2 ILE A 56 0.761 -11.936 11.392 1.00 0.00 C ATOM 872 CD1 ILE A 56 2.051 -10.415 9.019 1.00 0.00 C ATOM 0 H ILE A 56 3.725 -9.263 11.511 1.00 0.00 H new ATOM 0 HA ILE A 56 1.030 -9.224 11.110 1.00 0.00 H new ATOM 0 HB ILE A 56 2.678 -11.530 12.235 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.760 -10.682 10.266 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.939 -12.171 9.842 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.014 -12.959 11.114 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.266 -11.936 12.363 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.092 -11.512 10.643 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.638 -10.478 8.103 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.078 -10.880 8.859 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.912 -9.368 9.290 1.00 0.00 H new ATOM 884 N PRO A 57 -0.339 -9.500 13.191 1.00 0.00 N ATOM 885 CA PRO A 57 -1.156 -9.482 14.408 1.00 0.00 C ATOM 886 C PRO A 57 -1.224 -10.848 15.081 1.00 0.00 C ATOM 887 O PRO A 57 -0.882 -11.866 14.478 1.00 0.00 O ATOM 888 CB PRO A 57 -2.539 -9.066 13.900 1.00 0.00 C ATOM 889 CG PRO A 57 -2.562 -9.489 12.472 1.00 0.00 C ATOM 890 CD PRO A 57 -1.151 -9.337 11.973 1.00 0.00 C ATOM 0 HA PRO A 57 -0.746 -8.813 15.165 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.332 -9.551 14.469 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.689 -7.991 13.997 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.901 -10.520 12.376 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.249 -8.872 11.893 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.907 -10.090 11.223 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.991 -8.363 11.511 1.00 0.00 H new ATOM 898 N ASP A 58 -1.668 -10.864 16.333 1.00 0.00 N ATOM 899 CA ASP A 58 -1.782 -12.107 17.088 1.00 0.00 C ATOM 900 C ASP A 58 -0.411 -12.739 17.304 1.00 0.00 C ATOM 901 O ASP A 58 -0.293 -13.955 17.461 1.00 0.00 O ATOM 902 CB ASP A 58 -2.701 -13.088 16.359 1.00 0.00 C ATOM 903 CG ASP A 58 -3.306 -14.118 17.293 1.00 0.00 C ATOM 904 OD1 ASP A 58 -3.199 -13.937 18.524 1.00 0.00 O ATOM 905 OD2 ASP A 58 -3.886 -15.105 16.793 1.00 0.00 O ATOM 0 H ASP A 58 -1.955 -10.031 16.847 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.212 -11.874 18.062 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.500 -12.535 15.866 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.137 -13.597 15.577 1.00 0.00 H new ATOM 910 N THR A 59 0.625 -11.906 17.311 1.00 0.00 N ATOM 911 CA THR A 59 1.988 -12.383 17.506 1.00 0.00 C ATOM 912 C THR A 59 2.598 -11.800 18.775 1.00 0.00 C ATOM 913 O THR A 59 2.187 -10.748 19.264 1.00 0.00 O ATOM 914 CB THR A 59 2.886 -12.025 16.307 1.00 0.00 C ATOM 915 OG1 THR A 59 3.039 -10.604 16.217 1.00 0.00 O ATOM 916 CG2 THR A 59 2.295 -12.559 15.010 1.00 0.00 C ATOM 0 H THR A 59 0.546 -10.897 17.184 1.00 0.00 H new ATOM 0 HA THR A 59 1.933 -13.468 17.598 1.00 0.00 H new ATOM 0 HB THR A 59 3.861 -12.486 16.461 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.828 -10.309 15.306 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.946 -12.294 14.177 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.206 -13.644 15.070 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.309 -12.122 14.853 1.00 0.00 H new ATOM 924 N PRO A 60 3.605 -12.497 19.323 1.00 0.00 N ATOM 925 CA PRO A 60 4.295 -12.066 20.543 1.00 0.00 C ATOM 926 C PRO A 60 5.148 -10.823 20.317 1.00 0.00 C ATOM 927 O PRO A 60 5.692 -10.252 21.262 1.00 0.00 O ATOM 928 CB PRO A 60 5.179 -13.266 20.893 1.00 0.00 C ATOM 929 CG PRO A 60 5.404 -13.962 19.595 1.00 0.00 C ATOM 930 CD PRO A 60 4.148 -13.760 18.794 1.00 0.00 C ATOM 0 HA PRO A 60 3.595 -11.791 21.332 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.121 -12.947 21.340 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.690 -13.921 21.614 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.269 -13.549 19.076 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.602 -15.023 19.750 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.359 -13.691 17.727 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.449 -14.585 18.928 1.00 0.00 H new ATOM 938 N ALA A 61 5.261 -10.408 19.060 1.00 0.00 N ATOM 939 CA ALA A 61 6.046 -9.231 18.711 1.00 0.00 C ATOM 940 C ALA A 61 5.165 -7.990 18.621 1.00 0.00 C ATOM 941 O ALA A 61 5.626 -6.872 18.851 1.00 0.00 O ATOM 942 CB ALA A 61 6.779 -9.456 17.397 1.00 0.00 C ATOM 0 H ALA A 61 4.818 -10.870 18.266 1.00 0.00 H new ATOM 0 HA ALA A 61 6.779 -9.067 19.500 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.361 -8.569 17.149 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.446 -10.312 17.495 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.055 -9.648 16.605 1.00 0.00 H new ATOM 948 N GLU A 62 3.895 -8.194 18.285 1.00 0.00 N ATOM 949 CA GLU A 62 2.950 -7.090 18.164 1.00 0.00 C ATOM 950 C GLU A 62 2.529 -6.581 19.540 1.00 0.00 C ATOM 951 O GLU A 62 2.342 -5.381 19.739 1.00 0.00 O ATOM 952 CB GLU A 62 1.718 -7.529 17.371 1.00 0.00 C ATOM 953 CG GLU A 62 0.442 -6.813 17.783 1.00 0.00 C ATOM 954 CD GLU A 62 -0.614 -6.831 16.695 1.00 0.00 C ATOM 955 OE1 GLU A 62 -0.278 -6.509 15.536 1.00 0.00 O ATOM 956 OE2 GLU A 62 -1.777 -7.167 17.003 1.00 0.00 O ATOM 0 H GLU A 62 3.497 -9.113 18.092 1.00 0.00 H new ATOM 0 HA GLU A 62 3.445 -6.278 17.631 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.897 -7.353 16.310 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.579 -8.603 17.497 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.041 -7.282 18.682 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.676 -5.780 18.040 1.00 0.00 H new ATOM 963 N ALA A 63 2.380 -7.504 20.485 1.00 0.00 N ATOM 964 CA ALA A 63 1.982 -7.150 21.842 1.00 0.00 C ATOM 965 C ALA A 63 3.193 -6.768 22.687 1.00 0.00 C ATOM 966 O ALA A 63 3.073 -6.028 23.662 1.00 0.00 O ATOM 967 CB ALA A 63 1.227 -8.301 22.488 1.00 0.00 C ATOM 0 H ALA A 63 2.529 -8.502 20.336 1.00 0.00 H new ATOM 0 HA ALA A 63 1.323 -6.284 21.787 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.936 -8.022 23.501 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.335 -8.525 21.903 1.00 0.00 H new ATOM 0 HB3 ALA A 63 1.868 -9.182 22.524 1.00 0.00 H new ATOM 973 N GLY A 64 4.360 -7.280 22.306 1.00 0.00 N ATOM 974 CA GLY A 64 5.575 -6.982 23.041 1.00 0.00 C ATOM 975 C GLY A 64 5.954 -5.517 22.965 1.00 0.00 C ATOM 976 O GLY A 64 6.435 -4.941 23.940 1.00 0.00 O ATOM 0 H GLY A 64 4.485 -7.895 21.502 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.443 -7.266 24.085 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.392 -7.586 22.647 1.00 0.00 H new ATOM 980 N GLY A 65 5.739 -4.911 21.801 1.00 0.00 N ATOM 981 CA GLY A 65 6.069 -3.509 21.622 1.00 0.00 C ATOM 982 C GLY A 65 6.521 -3.195 20.210 1.00 0.00 C ATOM 983 O GLY A 65 6.338 -2.077 19.725 1.00 0.00 O ATOM 0 H GLY A 65 5.342 -5.366 20.979 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.198 -2.900 21.865 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.857 -3.232 22.322 1.00 0.00 H new ATOM 987 N LEU A 66 7.114 -4.182 19.547 1.00 0.00 N ATOM 988 CA LEU A 66 7.595 -4.006 18.181 1.00 0.00 C ATOM 989 C LEU A 66 6.462 -3.573 17.256 1.00 0.00 C ATOM 990 O LEU A 66 5.572 -4.361 16.936 1.00 0.00 O ATOM 991 CB LEU A 66 8.220 -5.304 17.668 1.00 0.00 C ATOM 992 CG LEU A 66 9.470 -5.785 18.406 1.00 0.00 C ATOM 993 CD1 LEU A 66 10.055 -7.011 17.723 1.00 0.00 C ATOM 994 CD2 LEU A 66 10.504 -4.671 18.485 1.00 0.00 C ATOM 0 H LEU A 66 7.273 -5.112 19.933 1.00 0.00 H new ATOM 0 HA LEU A 66 8.353 -3.223 18.187 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.467 -6.091 17.719 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.472 -5.171 16.616 1.00 0.00 H new ATOM 0 HG LEU A 66 9.185 -6.062 19.421 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.944 -7.339 18.262 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.316 -7.813 17.720 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.325 -6.762 16.697 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.387 -5.031 19.013 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.784 -4.363 17.478 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.082 -3.820 19.021 1.00 0.00 H new ATOM 1006 N LYS A 67 6.502 -2.316 16.828 1.00 0.00 N ATOM 1007 CA LYS A 67 5.481 -1.778 15.936 1.00 0.00 C ATOM 1008 C LYS A 67 6.072 -1.449 14.569 1.00 0.00 C ATOM 1009 O LYS A 67 7.284 -1.532 14.371 1.00 0.00 O ATOM 1010 CB LYS A 67 4.851 -0.524 16.547 1.00 0.00 C ATOM 1011 CG LYS A 67 3.726 -0.822 17.522 1.00 0.00 C ATOM 1012 CD LYS A 67 2.367 -0.750 16.846 1.00 0.00 C ATOM 1013 CE LYS A 67 1.511 0.362 17.433 1.00 0.00 C ATOM 1014 NZ LYS A 67 1.856 1.691 16.856 1.00 0.00 N ATOM 0 H LYS A 67 7.231 -1.650 17.084 1.00 0.00 H new ATOM 0 HA LYS A 67 4.710 -2.538 15.805 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.624 0.047 17.061 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.468 0.107 15.745 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.868 -1.814 17.950 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.761 -0.111 18.347 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.500 -0.583 15.777 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.853 -1.704 16.958 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.459 0.147 17.246 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.644 0.390 18.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 1.251 2.422 17.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.853 1.908 17.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.705 1.673 15.827 1.00 0.00 H new ATOM 1028 N GLU A 68 5.208 -1.074 13.631 1.00 0.00 N ATOM 1029 CA GLU A 68 5.646 -0.732 12.283 1.00 0.00 C ATOM 1030 C GLU A 68 6.487 0.541 12.290 1.00 0.00 C ATOM 1031 O GLU A 68 6.336 1.392 13.165 1.00 0.00 O ATOM 1032 CB GLU A 68 4.439 -0.553 11.360 1.00 0.00 C ATOM 1033 CG GLU A 68 4.773 -0.699 9.885 1.00 0.00 C ATOM 1034 CD GLU A 68 3.538 -0.870 9.021 1.00 0.00 C ATOM 1035 OE1 GLU A 68 3.012 -2.001 8.956 1.00 0.00 O ATOM 1036 OE2 GLU A 68 3.099 0.127 8.411 1.00 0.00 O ATOM 0 H GLU A 68 4.202 -0.999 13.780 1.00 0.00 H new ATOM 0 HA GLU A 68 6.261 -1.551 11.911 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.677 -1.286 11.626 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.006 0.433 11.530 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.325 0.180 9.553 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.429 -1.558 9.748 1.00 0.00 H new ATOM 1043 N ASN A 69 7.376 0.662 11.309 1.00 0.00 N ATOM 1044 CA ASN A 69 8.242 1.830 11.203 1.00 0.00 C ATOM 1045 C ASN A 69 9.169 1.932 12.411 1.00 0.00 C ATOM 1046 O ASN A 69 9.376 3.015 12.958 1.00 0.00 O ATOM 1047 CB ASN A 69 7.404 3.104 11.081 1.00 0.00 C ATOM 1048 CG ASN A 69 6.160 2.899 10.238 1.00 0.00 C ATOM 1049 OD1 ASN A 69 5.062 2.719 10.766 1.00 0.00 O ATOM 1050 ND2 ASN A 69 6.326 2.923 8.921 1.00 0.00 N ATOM 0 H ASN A 69 7.515 -0.034 10.577 1.00 0.00 H new ATOM 0 HA ASN A 69 8.852 1.718 10.307 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.114 3.441 12.076 1.00 0.00 H new ATOM 0 HB3 ASN A 69 8.012 3.895 10.641 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.525 2.789 8.304 1.00 0.00 H new ATOM 0 HD22 ASN A 69 7.254 3.075 8.527 1.00 0.00 H new ATOM 1057 N ASP A 70 9.723 0.797 12.822 1.00 0.00 N ATOM 1058 CA ASP A 70 10.629 0.757 13.964 1.00 0.00 C ATOM 1059 C ASP A 70 12.038 0.372 13.527 1.00 0.00 C ATOM 1060 O ASP A 70 12.233 -0.190 12.449 1.00 0.00 O ATOM 1061 CB ASP A 70 10.118 -0.232 15.013 1.00 0.00 C ATOM 1062 CG ASP A 70 9.281 0.440 16.084 1.00 0.00 C ATOM 1063 OD1 ASP A 70 9.772 1.410 16.698 1.00 0.00 O ATOM 1064 OD2 ASP A 70 8.136 -0.004 16.308 1.00 0.00 O ATOM 0 H ASP A 70 9.561 -0.108 12.381 1.00 0.00 H new ATOM 0 HA ASP A 70 10.665 1.754 14.403 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.524 -1.003 14.522 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.966 -0.732 15.480 1.00 0.00 H new ATOM 1069 N VAL A 71 13.019 0.678 14.370 1.00 0.00 N ATOM 1070 CA VAL A 71 14.411 0.364 14.071 1.00 0.00 C ATOM 1071 C VAL A 71 15.144 -0.121 15.316 1.00 0.00 C ATOM 1072 O VAL A 71 15.360 0.643 16.258 1.00 0.00 O ATOM 1073 CB VAL A 71 15.151 1.586 13.495 1.00 0.00 C ATOM 1074 CG1 VAL A 71 16.539 1.191 13.013 1.00 0.00 C ATOM 1075 CG2 VAL A 71 14.345 2.214 12.369 1.00 0.00 C ATOM 0 H VAL A 71 12.875 1.143 15.266 1.00 0.00 H new ATOM 0 HA VAL A 71 14.403 -0.431 13.325 1.00 0.00 H new ATOM 0 HB VAL A 71 15.265 2.327 14.286 1.00 0.00 H new ATOM 0 HG11 VAL A 71 17.047 2.067 12.609 1.00 0.00 H new ATOM 0 HG12 VAL A 71 17.114 0.791 13.848 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.452 0.432 12.236 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.882 3.076 11.974 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.198 1.482 11.575 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.376 2.535 12.750 1.00 0.00 H new ATOM 1085 N ILE A 72 15.526 -1.394 15.314 1.00 0.00 N ATOM 1086 CA ILE A 72 16.237 -1.980 16.443 1.00 0.00 C ATOM 1087 C ILE A 72 17.717 -1.614 16.410 1.00 0.00 C ATOM 1088 O ILE A 72 18.376 -1.748 15.379 1.00 0.00 O ATOM 1089 CB ILE A 72 16.098 -3.513 16.461 1.00 0.00 C ATOM 1090 CG1 ILE A 72 14.623 -3.913 16.525 1.00 0.00 C ATOM 1091 CG2 ILE A 72 16.863 -4.100 17.638 1.00 0.00 C ATOM 1092 CD1 ILE A 72 14.247 -4.997 15.539 1.00 0.00 C ATOM 0 H ILE A 72 15.355 -2.039 14.543 1.00 0.00 H new ATOM 0 HA ILE A 72 15.785 -1.572 17.347 1.00 0.00 H new ATOM 0 HB ILE A 72 16.523 -3.912 15.540 1.00 0.00 H new ATOM 0 HG12 ILE A 72 14.391 -4.255 17.534 1.00 0.00 H new ATOM 0 HG13 ILE A 72 14.008 -3.033 16.337 1.00 0.00 H new ATOM 0 HG21 ILE A 72 16.755 -5.185 17.637 1.00 0.00 H new ATOM 0 HG22 ILE A 72 17.918 -3.840 17.552 1.00 0.00 H new ATOM 0 HG23 ILE A 72 16.464 -3.696 18.569 1.00 0.00 H new ATOM 0 HD11 ILE A 72 13.187 -5.230 15.641 1.00 0.00 H new ATOM 0 HD12 ILE A 72 14.447 -4.651 14.525 1.00 0.00 H new ATOM 0 HD13 ILE A 72 14.836 -5.892 15.740 1.00 0.00 H new ATOM 1104 N ILE A 73 18.233 -1.155 17.545 1.00 0.00 N ATOM 1105 CA ILE A 73 19.636 -0.774 17.647 1.00 0.00 C ATOM 1106 C ILE A 73 20.430 -1.804 18.443 1.00 0.00 C ATOM 1107 O ILE A 73 21.643 -1.930 18.279 1.00 0.00 O ATOM 1108 CB ILE A 73 19.798 0.607 18.310 1.00 0.00 C ATOM 1109 CG1 ILE A 73 19.010 0.662 19.621 1.00 0.00 C ATOM 1110 CG2 ILE A 73 19.340 1.706 17.364 1.00 0.00 C ATOM 1111 CD1 ILE A 73 19.823 1.165 20.793 1.00 0.00 C ATOM 0 H ILE A 73 17.700 -1.038 18.407 1.00 0.00 H new ATOM 0 HA ILE A 73 20.024 -0.727 16.630 1.00 0.00 H new ATOM 0 HB ILE A 73 20.853 0.765 18.534 1.00 0.00 H new ATOM 0 HG12 ILE A 73 18.142 1.308 19.487 1.00 0.00 H new ATOM 0 HG13 ILE A 73 18.633 -0.335 19.851 1.00 0.00 H new ATOM 0 HG21 ILE A 73 19.461 2.676 17.847 1.00 0.00 H new ATOM 0 HG22 ILE A 73 19.940 1.677 16.454 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.291 1.555 17.111 1.00 0.00 H new ATOM 0 HD11 ILE A 73 19.201 1.178 21.688 1.00 0.00 H new ATOM 0 HD12 ILE A 73 20.677 0.506 20.953 1.00 0.00 H new ATOM 0 HD13 ILE A 73 20.178 2.174 20.583 1.00 0.00 H new ATOM 1123 N SER A 74 19.735 -2.540 19.305 1.00 0.00 N ATOM 1124 CA SER A 74 20.375 -3.559 20.129 1.00 0.00 C ATOM 1125 C SER A 74 19.355 -4.583 20.617 1.00 0.00 C ATOM 1126 O SER A 74 18.160 -4.296 20.692 1.00 0.00 O ATOM 1127 CB SER A 74 21.078 -2.912 21.324 1.00 0.00 C ATOM 1128 OG SER A 74 21.534 -3.892 22.240 1.00 0.00 O ATOM 0 H SER A 74 18.730 -2.450 19.451 1.00 0.00 H new ATOM 0 HA SER A 74 21.115 -4.074 19.517 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.921 -2.316 20.975 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.393 -2.230 21.827 1.00 0.00 H new ATOM 0 HG SER A 74 21.981 -3.453 22.993 1.00 0.00 H new ATOM 1134 N ILE A 75 19.835 -5.776 20.948 1.00 0.00 N ATOM 1135 CA ILE A 75 18.966 -6.842 21.430 1.00 0.00 C ATOM 1136 C ILE A 75 19.696 -7.740 22.424 1.00 0.00 C ATOM 1137 O ILE A 75 20.764 -8.273 22.126 1.00 0.00 O ATOM 1138 CB ILE A 75 18.436 -7.705 20.270 1.00 0.00 C ATOM 1139 CG1 ILE A 75 17.664 -6.838 19.273 1.00 0.00 C ATOM 1140 CG2 ILE A 75 17.554 -8.824 20.802 1.00 0.00 C ATOM 1141 CD1 ILE A 75 17.122 -7.613 18.092 1.00 0.00 C ATOM 0 H ILE A 75 20.821 -6.029 20.891 1.00 0.00 H new ATOM 0 HA ILE A 75 18.124 -6.361 21.928 1.00 0.00 H new ATOM 0 HB ILE A 75 19.284 -8.153 19.753 1.00 0.00 H new ATOM 0 HG12 ILE A 75 16.836 -6.353 19.790 1.00 0.00 H new ATOM 0 HG13 ILE A 75 18.319 -6.047 18.908 1.00 0.00 H new ATOM 0 HG21 ILE A 75 17.187 -9.425 19.970 1.00 0.00 H new ATOM 0 HG22 ILE A 75 18.133 -9.454 21.477 1.00 0.00 H new ATOM 0 HG23 ILE A 75 16.709 -8.396 21.341 1.00 0.00 H new ATOM 0 HD11 ILE A 75 16.587 -6.935 17.427 1.00 0.00 H new ATOM 0 HD12 ILE A 75 17.947 -8.076 17.551 1.00 0.00 H new ATOM 0 HD13 ILE A 75 16.441 -8.387 18.446 1.00 0.00 H new ATOM 1153 N ASN A 76 19.111 -7.903 23.606 1.00 0.00 N ATOM 1154 CA ASN A 76 19.705 -8.738 24.644 1.00 0.00 C ATOM 1155 C ASN A 76 21.055 -8.180 25.084 1.00 0.00 C ATOM 1156 O ASN A 76 21.918 -8.917 25.559 1.00 0.00 O ATOM 1157 CB ASN A 76 19.873 -10.173 24.140 1.00 0.00 C ATOM 1158 CG ASN A 76 19.171 -11.183 25.026 1.00 0.00 C ATOM 1159 OD1 ASN A 76 19.466 -11.293 26.216 1.00 0.00 O ATOM 1160 ND2 ASN A 76 18.235 -11.927 24.448 1.00 0.00 N ATOM 0 H ASN A 76 18.227 -7.468 23.869 1.00 0.00 H new ATOM 0 HA ASN A 76 19.034 -8.738 25.503 1.00 0.00 H new ATOM 0 HB2 ASN A 76 19.479 -10.248 23.126 1.00 0.00 H new ATOM 0 HB3 ASN A 76 20.935 -10.415 24.088 1.00 0.00 H new ATOM 0 HD21 ASN A 76 17.728 -12.624 24.994 1.00 0.00 H new ATOM 0 HD22 ASN A 76 18.023 -11.802 23.458 1.00 0.00 H new ATOM 1167 N GLY A 77 21.230 -6.872 24.923 1.00 0.00 N ATOM 1168 CA GLY A 77 22.477 -6.237 25.308 1.00 0.00 C ATOM 1169 C GLY A 77 23.538 -6.342 24.231 1.00 0.00 C ATOM 1170 O GLY A 77 24.731 -6.239 24.516 1.00 0.00 O ATOM 0 H GLY A 77 20.530 -6.241 24.533 1.00 0.00 H new ATOM 0 HA2 GLY A 77 22.292 -5.186 25.530 1.00 0.00 H new ATOM 0 HA3 GLY A 77 22.847 -6.697 26.224 1.00 0.00 H new ATOM 1174 N GLN A 78 23.104 -6.549 22.993 1.00 0.00 N ATOM 1175 CA GLN A 78 24.026 -6.671 21.870 1.00 0.00 C ATOM 1176 C GLN A 78 23.578 -5.802 20.700 1.00 0.00 C ATOM 1177 O GLN A 78 22.478 -5.971 20.174 1.00 0.00 O ATOM 1178 CB GLN A 78 24.132 -8.131 21.425 1.00 0.00 C ATOM 1179 CG GLN A 78 25.500 -8.745 21.674 1.00 0.00 C ATOM 1180 CD GLN A 78 26.166 -9.223 20.398 1.00 0.00 C ATOM 1181 OE1 GLN A 78 26.945 -8.495 19.782 1.00 0.00 O ATOM 1182 NE2 GLN A 78 25.862 -10.451 19.995 1.00 0.00 N ATOM 0 H GLN A 78 22.119 -6.636 22.742 1.00 0.00 H new ATOM 0 HA GLN A 78 25.006 -6.327 22.200 1.00 0.00 H new ATOM 0 HB2 GLN A 78 23.378 -8.718 21.950 1.00 0.00 H new ATOM 0 HB3 GLN A 78 23.902 -8.196 20.361 1.00 0.00 H new ATOM 0 HG2 GLN A 78 26.141 -8.010 22.161 1.00 0.00 H new ATOM 0 HG3 GLN A 78 25.398 -9.584 22.362 1.00 0.00 H new ATOM 0 HE21 GLN A 78 25.211 -11.019 20.537 1.00 0.00 H new ATOM 0 HE22 GLN A 78 26.279 -10.826 19.143 1.00 0.00 H new ATOM 1191 N SER A 79 24.437 -4.871 20.298 1.00 0.00 N ATOM 1192 CA SER A 79 24.128 -3.972 19.192 1.00 0.00 C ATOM 1193 C SER A 79 24.100 -4.729 17.868 1.00 0.00 C ATOM 1194 O SER A 79 25.084 -5.357 17.477 1.00 0.00 O ATOM 1195 CB SER A 79 25.156 -2.841 19.124 1.00 0.00 C ATOM 1196 OG SER A 79 24.902 -1.861 20.115 1.00 0.00 O ATOM 0 H SER A 79 25.352 -4.719 20.722 1.00 0.00 H new ATOM 0 HA SER A 79 23.140 -3.546 19.368 1.00 0.00 H new ATOM 0 HB2 SER A 79 26.158 -3.248 19.259 1.00 0.00 H new ATOM 0 HB3 SER A 79 25.129 -2.380 18.137 1.00 0.00 H new ATOM 0 HG SER A 79 25.574 -1.150 20.052 1.00 0.00 H new ATOM 1202 N VAL A 80 22.963 -4.665 17.181 1.00 0.00 N ATOM 1203 CA VAL A 80 22.805 -5.343 15.900 1.00 0.00 C ATOM 1204 C VAL A 80 23.011 -4.377 14.738 1.00 0.00 C ATOM 1205 O VAL A 80 22.859 -3.165 14.890 1.00 0.00 O ATOM 1206 CB VAL A 80 21.413 -5.989 15.775 1.00 0.00 C ATOM 1207 CG1 VAL A 80 21.161 -6.943 16.933 1.00 0.00 C ATOM 1208 CG2 VAL A 80 20.333 -4.920 15.710 1.00 0.00 C ATOM 0 H VAL A 80 22.138 -4.151 17.490 1.00 0.00 H new ATOM 0 HA VAL A 80 23.565 -6.124 15.859 1.00 0.00 H new ATOM 0 HB VAL A 80 21.380 -6.563 14.849 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.172 -7.390 16.828 1.00 0.00 H new ATOM 0 HG12 VAL A 80 21.917 -7.728 16.928 1.00 0.00 H new ATOM 0 HG13 VAL A 80 21.213 -6.395 17.874 1.00 0.00 H new ATOM 0 HG21 VAL A 80 19.356 -5.395 15.622 1.00 0.00 H new ATOM 0 HG22 VAL A 80 20.363 -4.317 16.618 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.505 -4.281 14.844 1.00 0.00 H new ATOM 1218 N VAL A 81 23.356 -4.923 13.576 1.00 0.00 N ATOM 1219 CA VAL A 81 23.581 -4.110 12.387 1.00 0.00 C ATOM 1220 C VAL A 81 23.012 -4.785 11.144 1.00 0.00 C ATOM 1221 O VAL A 81 23.466 -4.537 10.027 1.00 0.00 O ATOM 1222 CB VAL A 81 25.081 -3.838 12.168 1.00 0.00 C ATOM 1223 CG1 VAL A 81 25.591 -2.815 13.171 1.00 0.00 C ATOM 1224 CG2 VAL A 81 25.876 -5.132 12.263 1.00 0.00 C ATOM 0 H VAL A 81 23.486 -5.925 13.433 1.00 0.00 H new ATOM 0 HA VAL A 81 23.068 -3.162 12.550 1.00 0.00 H new ATOM 0 HB VAL A 81 25.216 -3.428 11.167 1.00 0.00 H new ATOM 0 HG11 VAL A 81 26.653 -2.636 13.000 1.00 0.00 H new ATOM 0 HG12 VAL A 81 25.042 -1.881 13.050 1.00 0.00 H new ATOM 0 HG13 VAL A 81 25.445 -3.193 14.183 1.00 0.00 H new ATOM 0 HG21 VAL A 81 26.934 -4.921 12.106 1.00 0.00 H new ATOM 0 HG22 VAL A 81 25.737 -5.573 13.250 1.00 0.00 H new ATOM 0 HG23 VAL A 81 25.528 -5.830 11.501 1.00 0.00 H new ATOM 1234 N SER A 82 22.014 -5.639 11.346 1.00 0.00 N ATOM 1235 CA SER A 82 21.383 -6.353 10.242 1.00 0.00 C ATOM 1236 C SER A 82 20.109 -7.054 10.705 1.00 0.00 C ATOM 1237 O SER A 82 20.060 -7.617 11.798 1.00 0.00 O ATOM 1238 CB SER A 82 22.354 -7.376 9.648 1.00 0.00 C ATOM 1239 OG SER A 82 22.867 -6.929 8.405 1.00 0.00 O ATOM 0 H SER A 82 21.625 -5.853 12.264 1.00 0.00 H new ATOM 0 HA SER A 82 21.118 -5.625 9.475 1.00 0.00 H new ATOM 0 HB2 SER A 82 23.176 -7.549 10.343 1.00 0.00 H new ATOM 0 HB3 SER A 82 21.845 -8.330 9.513 1.00 0.00 H new ATOM 0 HG SER A 82 23.225 -6.022 8.506 1.00 0.00 H new ATOM 1245 N ALA A 83 19.080 -7.013 9.865 1.00 0.00 N ATOM 1246 CA ALA A 83 17.807 -7.645 10.186 1.00 0.00 C ATOM 1247 C ALA A 83 17.978 -9.144 10.408 1.00 0.00 C ATOM 1248 O ALA A 83 17.177 -9.774 11.097 1.00 0.00 O ATOM 1249 CB ALA A 83 16.795 -7.385 9.079 1.00 0.00 C ATOM 0 H ALA A 83 19.103 -6.549 8.957 1.00 0.00 H new ATOM 0 HA ALA A 83 17.436 -7.208 11.113 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.848 -7.863 9.332 1.00 0.00 H new ATOM 0 HB2 ALA A 83 16.642 -6.311 8.971 1.00 0.00 H new ATOM 0 HB3 ALA A 83 17.169 -7.795 8.141 1.00 0.00 H new ATOM 1255 N ASN A 84 19.027 -9.709 9.818 1.00 0.00 N ATOM 1256 CA ASN A 84 19.302 -11.135 9.951 1.00 0.00 C ATOM 1257 C ASN A 84 19.881 -11.451 11.327 1.00 0.00 C ATOM 1258 O ASN A 84 19.744 -12.568 11.827 1.00 0.00 O ATOM 1259 CB ASN A 84 20.271 -11.592 8.860 1.00 0.00 C ATOM 1260 CG ASN A 84 19.567 -11.897 7.552 1.00 0.00 C ATOM 1261 OD1 ASN A 84 18.985 -12.969 7.383 1.00 0.00 O ATOM 1262 ND2 ASN A 84 19.619 -10.954 6.618 1.00 0.00 N ATOM 0 H ASN A 84 19.700 -9.201 9.244 1.00 0.00 H new ATOM 0 HA ASN A 84 18.361 -11.674 9.840 1.00 0.00 H new ATOM 0 HB2 ASN A 84 21.019 -10.817 8.695 1.00 0.00 H new ATOM 0 HB3 ASN A 84 20.803 -12.481 9.199 1.00 0.00 H new ATOM 0 HD21 ASN A 84 19.165 -11.103 5.717 1.00 0.00 H new ATOM 0 HD22 ASN A 84 20.113 -10.081 6.802 1.00 0.00 H new ATOM 1269 N ASP A 85 20.527 -10.461 11.932 1.00 0.00 N ATOM 1270 CA ASP A 85 21.125 -10.633 13.251 1.00 0.00 C ATOM 1271 C ASP A 85 20.056 -10.620 14.339 1.00 0.00 C ATOM 1272 O ASP A 85 20.076 -11.443 15.254 1.00 0.00 O ATOM 1273 CB ASP A 85 22.154 -9.532 13.515 1.00 0.00 C ATOM 1274 CG ASP A 85 23.572 -9.982 13.221 1.00 0.00 C ATOM 1275 OD1 ASP A 85 23.922 -11.122 13.593 1.00 0.00 O ATOM 1276 OD2 ASP A 85 24.330 -9.194 12.619 1.00 0.00 O ATOM 0 H ASP A 85 20.650 -9.531 11.531 1.00 0.00 H new ATOM 0 HA ASP A 85 21.626 -11.601 13.272 1.00 0.00 H new ATOM 0 HB2 ASP A 85 21.917 -8.663 12.901 1.00 0.00 H new ATOM 0 HB3 ASP A 85 22.085 -9.216 14.556 1.00 0.00 H new ATOM 1281 N VAL A 86 19.125 -9.677 14.235 1.00 0.00 N ATOM 1282 CA VAL A 86 18.047 -9.556 15.209 1.00 0.00 C ATOM 1283 C VAL A 86 17.151 -10.789 15.194 1.00 0.00 C ATOM 1284 O VAL A 86 16.494 -11.104 16.186 1.00 0.00 O ATOM 1285 CB VAL A 86 17.187 -8.306 14.942 1.00 0.00 C ATOM 1286 CG1 VAL A 86 18.023 -7.043 15.077 1.00 0.00 C ATOM 1287 CG2 VAL A 86 16.545 -8.386 13.566 1.00 0.00 C ATOM 0 H VAL A 86 19.096 -8.986 13.486 1.00 0.00 H new ATOM 0 HA VAL A 86 18.515 -9.463 16.189 1.00 0.00 H new ATOM 0 HB VAL A 86 16.392 -8.267 15.687 1.00 0.00 H new ATOM 0 HG11 VAL A 86 17.398 -6.171 14.885 1.00 0.00 H new ATOM 0 HG12 VAL A 86 18.430 -6.982 16.086 1.00 0.00 H new ATOM 0 HG13 VAL A 86 18.841 -7.069 14.357 1.00 0.00 H new ATOM 0 HG21 VAL A 86 15.941 -7.495 13.394 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.323 -8.450 12.805 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.910 -9.271 13.511 1.00 0.00 H new ATOM 1297 N SER A 87 17.130 -11.485 14.062 1.00 0.00 N ATOM 1298 CA SER A 87 16.312 -12.683 13.916 1.00 0.00 C ATOM 1299 C SER A 87 16.992 -13.887 14.560 1.00 0.00 C ATOM 1300 O SER A 87 16.330 -14.841 14.971 1.00 0.00 O ATOM 1301 CB SER A 87 16.043 -12.966 12.437 1.00 0.00 C ATOM 1302 OG SER A 87 17.094 -13.724 11.863 1.00 0.00 O ATOM 0 H SER A 87 17.670 -11.240 13.232 1.00 0.00 H new ATOM 0 HA SER A 87 15.363 -12.509 14.424 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.102 -13.506 12.332 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.933 -12.025 11.898 1.00 0.00 H new ATOM 0 HG SER A 87 17.933 -13.223 11.930 1.00 0.00 H new ATOM 1308 N ASP A 88 18.316 -13.835 14.645 1.00 0.00 N ATOM 1309 CA ASP A 88 19.088 -14.920 15.240 1.00 0.00 C ATOM 1310 C ASP A 88 18.813 -15.025 16.737 1.00 0.00 C ATOM 1311 O ASP A 88 18.676 -16.122 17.278 1.00 0.00 O ATOM 1312 CB ASP A 88 20.582 -14.706 14.996 1.00 0.00 C ATOM 1313 CG ASP A 88 21.164 -15.722 14.033 1.00 0.00 C ATOM 1314 OD1 ASP A 88 20.883 -15.618 12.821 1.00 0.00 O ATOM 1315 OD2 ASP A 88 21.899 -16.622 14.491 1.00 0.00 O ATOM 0 H ASP A 88 18.878 -13.053 14.309 1.00 0.00 H new ATOM 0 HA ASP A 88 18.782 -15.853 14.767 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.742 -13.703 14.601 1.00 0.00 H new ATOM 0 HB3 ASP A 88 21.114 -14.764 15.946 1.00 0.00 H new ATOM 1320 N VAL A 89 18.736 -13.876 17.401 1.00 0.00 N ATOM 1321 CA VAL A 89 18.479 -13.838 18.835 1.00 0.00 C ATOM 1322 C VAL A 89 17.142 -14.489 19.171 1.00 0.00 C ATOM 1323 O VAL A 89 16.933 -14.960 20.290 1.00 0.00 O ATOM 1324 CB VAL A 89 18.481 -12.393 19.368 1.00 0.00 C ATOM 1325 CG1 VAL A 89 18.258 -12.377 20.872 1.00 0.00 C ATOM 1326 CG2 VAL A 89 19.784 -11.694 19.007 1.00 0.00 C ATOM 0 H VAL A 89 18.848 -12.959 16.968 1.00 0.00 H new ATOM 0 HA VAL A 89 19.283 -14.396 19.315 1.00 0.00 H new ATOM 0 HB VAL A 89 17.661 -11.850 18.898 1.00 0.00 H new ATOM 0 HG11 VAL A 89 18.263 -11.347 21.230 1.00 0.00 H new ATOM 0 HG12 VAL A 89 17.297 -12.837 21.102 1.00 0.00 H new ATOM 0 HG13 VAL A 89 19.054 -12.936 21.364 1.00 0.00 H new ATOM 0 HG21 VAL A 89 19.768 -10.674 19.391 1.00 0.00 H new ATOM 0 HG22 VAL A 89 20.621 -12.235 19.448 1.00 0.00 H new ATOM 0 HG23 VAL A 89 19.897 -11.672 17.923 1.00 0.00 H new ATOM 1336 N ILE A 90 16.240 -14.513 18.196 1.00 0.00 N ATOM 1337 CA ILE A 90 14.923 -15.108 18.388 1.00 0.00 C ATOM 1338 C ILE A 90 15.030 -16.609 18.634 1.00 0.00 C ATOM 1339 O ILE A 90 14.358 -17.156 19.510 1.00 0.00 O ATOM 1340 CB ILE A 90 14.011 -14.862 17.171 1.00 0.00 C ATOM 1341 CG1 ILE A 90 14.000 -13.376 16.807 1.00 0.00 C ATOM 1342 CG2 ILE A 90 12.601 -15.353 17.459 1.00 0.00 C ATOM 1343 CD1 ILE A 90 13.131 -13.053 15.612 1.00 0.00 C ATOM 0 H ILE A 90 16.397 -14.127 17.265 1.00 0.00 H new ATOM 0 HA ILE A 90 14.484 -14.629 19.263 1.00 0.00 H new ATOM 0 HB ILE A 90 14.403 -15.422 16.322 1.00 0.00 H new ATOM 0 HG12 ILE A 90 13.651 -12.803 17.666 1.00 0.00 H new ATOM 0 HG13 ILE A 90 15.021 -13.053 16.602 1.00 0.00 H new ATOM 0 HG21 ILE A 90 11.968 -15.172 16.590 1.00 0.00 H new ATOM 0 HG22 ILE A 90 12.625 -16.421 17.675 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.198 -14.818 18.319 1.00 0.00 H new ATOM 0 HD11 ILE A 90 13.171 -11.982 15.412 1.00 0.00 H new ATOM 0 HD12 ILE A 90 13.493 -13.599 14.741 1.00 0.00 H new ATOM 0 HD13 ILE A 90 12.102 -13.345 15.821 1.00 0.00 H new ATOM 1355 N LYS A 91 15.879 -17.272 17.856 1.00 0.00 N ATOM 1356 CA LYS A 91 16.077 -18.710 17.990 1.00 0.00 C ATOM 1357 C LYS A 91 17.218 -19.015 18.955 1.00 0.00 C ATOM 1358 O LYS A 91 17.316 -20.121 19.486 1.00 0.00 O ATOM 1359 CB LYS A 91 16.370 -19.335 16.624 1.00 0.00 C ATOM 1360 CG LYS A 91 17.770 -19.045 16.110 1.00 0.00 C ATOM 1361 CD LYS A 91 17.741 -18.502 14.691 1.00 0.00 C ATOM 1362 CE LYS A 91 17.760 -19.625 13.665 1.00 0.00 C ATOM 1363 NZ LYS A 91 18.202 -19.145 12.326 1.00 0.00 N ATOM 0 H LYS A 91 16.441 -16.836 17.125 1.00 0.00 H new ATOM 0 HA LYS A 91 15.160 -19.141 18.391 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.233 -20.414 16.691 1.00 0.00 H new ATOM 0 HB3 LYS A 91 15.643 -18.965 15.901 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.258 -18.324 16.767 1.00 0.00 H new ATOM 0 HG3 LYS A 91 18.366 -19.957 16.139 1.00 0.00 H new ATOM 0 HD2 LYS A 91 16.847 -17.894 14.551 1.00 0.00 H new ATOM 0 HD3 LYS A 91 18.599 -17.848 14.533 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.427 -20.417 14.005 1.00 0.00 H new ATOM 0 HE3 LYS A 91 16.764 -20.060 13.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 18.202 -19.939 11.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 17.551 -18.407 11.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 19.163 -18.753 12.397 1.00 0.00 H new ATOM 1377 N ARG A 92 18.077 -18.026 19.180 1.00 0.00 N ATOM 1378 CA ARG A 92 19.211 -18.189 20.082 1.00 0.00 C ATOM 1379 C ARG A 92 18.760 -18.128 21.538 1.00 0.00 C ATOM 1380 O ARG A 92 18.968 -19.070 22.302 1.00 0.00 O ATOM 1381 CB ARG A 92 20.261 -17.108 19.816 1.00 0.00 C ATOM 1382 CG ARG A 92 21.608 -17.396 20.458 1.00 0.00 C ATOM 1383 CD ARG A 92 22.696 -17.576 19.411 1.00 0.00 C ATOM 1384 NE ARG A 92 24.011 -17.773 20.016 1.00 0.00 N ATOM 1385 CZ ARG A 92 25.129 -17.921 19.314 1.00 0.00 C ATOM 1386 NH1 ARG A 92 25.091 -17.894 17.989 1.00 0.00 N ATOM 1387 NH2 ARG A 92 26.287 -18.095 19.937 1.00 0.00 N ATOM 0 H ARG A 92 18.009 -17.104 18.750 1.00 0.00 H new ATOM 0 HA ARG A 92 19.653 -19.168 19.897 1.00 0.00 H new ATOM 0 HB2 ARG A 92 20.396 -17.002 18.740 1.00 0.00 H new ATOM 0 HB3 ARG A 92 19.889 -16.153 20.186 1.00 0.00 H new ATOM 0 HG2 ARG A 92 21.876 -16.578 21.126 1.00 0.00 H new ATOM 0 HG3 ARG A 92 21.536 -18.296 21.069 1.00 0.00 H new ATOM 0 HD2 ARG A 92 22.455 -18.432 18.781 1.00 0.00 H new ATOM 0 HD3 ARG A 92 22.723 -16.701 18.762 1.00 0.00 H new ATOM 0 HE ARG A 92 24.074 -17.798 21.034 1.00 0.00 H new ATOM 0 HH11 ARG A 92 24.202 -17.759 17.507 1.00 0.00 H new ATOM 0 HH12 ARG A 92 25.951 -18.008 17.452 1.00 0.00 H new ATOM 0 HH21 ARG A 92 26.320 -18.115 20.956 1.00 0.00 H new ATOM 0 HH22 ARG A 92 27.145 -18.209 19.397 1.00 0.00 H new ATOM 1401 N GLU A 93 18.143 -17.012 21.915 1.00 0.00 N ATOM 1402 CA GLU A 93 17.664 -16.829 23.280 1.00 0.00 C ATOM 1403 C GLU A 93 16.148 -16.992 23.352 1.00 0.00 C ATOM 1404 O GLU A 93 15.435 -16.696 22.393 1.00 0.00 O ATOM 1405 CB GLU A 93 18.064 -15.448 23.803 1.00 0.00 C ATOM 1406 CG GLU A 93 19.505 -15.075 23.497 1.00 0.00 C ATOM 1407 CD GLU A 93 20.503 -15.956 24.225 1.00 0.00 C ATOM 1408 OE1 GLU A 93 20.664 -15.780 25.451 1.00 0.00 O ATOM 1409 OE2 GLU A 93 21.122 -16.819 23.569 1.00 0.00 O ATOM 0 H GLU A 93 17.963 -16.222 21.295 1.00 0.00 H new ATOM 0 HA GLU A 93 18.124 -17.594 23.905 1.00 0.00 H new ATOM 0 HB2 GLU A 93 17.403 -14.698 23.367 1.00 0.00 H new ATOM 0 HB3 GLU A 93 17.911 -15.419 24.882 1.00 0.00 H new ATOM 0 HG2 GLU A 93 19.676 -15.150 22.423 1.00 0.00 H new ATOM 0 HG3 GLU A 93 19.674 -14.035 23.775 1.00 0.00 H new ATOM 1416 N SER A 94 15.664 -17.467 24.495 1.00 0.00 N ATOM 1417 CA SER A 94 14.234 -17.675 24.691 1.00 0.00 C ATOM 1418 C SER A 94 13.493 -16.342 24.743 1.00 0.00 C ATOM 1419 O SER A 94 12.354 -16.232 24.289 1.00 0.00 O ATOM 1420 CB SER A 94 13.983 -18.460 25.980 1.00 0.00 C ATOM 1421 OG SER A 94 13.450 -19.743 25.700 1.00 0.00 O ATOM 0 H SER A 94 16.241 -17.715 25.299 1.00 0.00 H new ATOM 0 HA SER A 94 13.857 -18.249 23.845 1.00 0.00 H new ATOM 0 HB2 SER A 94 14.916 -18.563 26.534 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.293 -17.907 26.618 1.00 0.00 H new ATOM 0 HG SER A 94 13.300 -20.225 26.540 1.00 0.00 H new ATOM 1427 N THR A 95 14.149 -15.329 25.300 1.00 0.00 N ATOM 1428 CA THR A 95 13.555 -14.003 25.413 1.00 0.00 C ATOM 1429 C THR A 95 14.073 -13.073 24.322 1.00 0.00 C ATOM 1430 O THR A 95 14.939 -13.449 23.531 1.00 0.00 O ATOM 1431 CB THR A 95 13.844 -13.373 26.789 1.00 0.00 C ATOM 1432 OG1 THR A 95 14.178 -14.395 27.735 1.00 0.00 O ATOM 1433 CG2 THR A 95 12.640 -12.587 27.288 1.00 0.00 C ATOM 0 H THR A 95 15.093 -15.402 25.680 1.00 0.00 H new ATOM 0 HA THR A 95 12.478 -14.129 25.298 1.00 0.00 H new ATOM 0 HB THR A 95 14.686 -12.689 26.681 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.362 -13.986 28.607 1.00 0.00 H new ATOM 0 HG21 THR A 95 12.868 -12.151 28.261 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.406 -11.792 26.580 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.783 -13.254 27.381 1.00 0.00 H new ATOM 1441 N LEU A 96 13.540 -11.857 24.286 1.00 0.00 N ATOM 1442 CA LEU A 96 13.950 -10.871 23.291 1.00 0.00 C ATOM 1443 C LEU A 96 13.929 -9.464 23.879 1.00 0.00 C ATOM 1444 O LEU A 96 12.917 -8.768 23.812 1.00 0.00 O ATOM 1445 CB LEU A 96 13.033 -10.940 22.069 1.00 0.00 C ATOM 1446 CG LEU A 96 13.056 -12.253 21.285 1.00 0.00 C ATOM 1447 CD1 LEU A 96 12.055 -12.209 20.142 1.00 0.00 C ATOM 1448 CD2 LEU A 96 14.456 -12.537 20.761 1.00 0.00 C ATOM 0 H LEU A 96 12.823 -11.530 24.934 1.00 0.00 H new ATOM 0 HA LEU A 96 14.970 -11.101 22.985 1.00 0.00 H new ATOM 0 HB2 LEU A 96 12.010 -10.754 22.396 1.00 0.00 H new ATOM 0 HB3 LEU A 96 13.303 -10.131 21.391 1.00 0.00 H new ATOM 0 HG LEU A 96 12.772 -13.062 21.958 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.085 -13.152 19.595 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.053 -12.053 20.542 1.00 0.00 H new ATOM 0 HD13 LEU A 96 12.308 -11.390 19.468 1.00 0.00 H new ATOM 0 HD21 LEU A 96 14.453 -13.475 20.206 1.00 0.00 H new ATOM 0 HD22 LEU A 96 14.769 -11.727 20.103 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.149 -12.613 21.599 1.00 0.00 H new ATOM 1460 N ASN A 97 15.055 -9.051 24.452 1.00 0.00 N ATOM 1461 CA ASN A 97 15.166 -7.725 25.050 1.00 0.00 C ATOM 1462 C ASN A 97 15.635 -6.702 24.020 1.00 0.00 C ATOM 1463 O ASN A 97 16.781 -6.253 24.053 1.00 0.00 O ATOM 1464 CB ASN A 97 16.136 -7.756 26.233 1.00 0.00 C ATOM 1465 CG ASN A 97 15.670 -8.683 27.339 1.00 0.00 C ATOM 1466 OD1 ASN A 97 15.778 -9.985 27.104 1.00 0.00 O flip ATOM 1467 ND2 ASN A 97 15.217 -8.232 28.391 1.00 0.00 N flip ATOM 0 H ASN A 97 15.903 -9.615 24.515 1.00 0.00 H new ATOM 0 HA ASN A 97 14.179 -7.430 25.406 1.00 0.00 H new ATOM 0 HB2 ASN A 97 17.119 -8.075 25.885 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.251 -6.748 26.632 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.153 -7.223 28.528 1.00 0.00 H new ATOM 0 HD22 ASN A 97 14.906 -8.867 29.126 1.00 0.00 H new ATOM 1474 N MET A 98 14.741 -6.336 23.107 1.00 0.00 N ATOM 1475 CA MET A 98 15.063 -5.364 22.069 1.00 0.00 C ATOM 1476 C MET A 98 14.979 -3.941 22.612 1.00 0.00 C ATOM 1477 O MET A 98 14.335 -3.692 23.631 1.00 0.00 O ATOM 1478 CB MET A 98 14.115 -5.525 20.879 1.00 0.00 C ATOM 1479 CG MET A 98 13.851 -6.974 20.503 1.00 0.00 C ATOM 1480 SD MET A 98 13.581 -7.195 18.734 1.00 0.00 S ATOM 1481 CE MET A 98 12.799 -8.806 18.710 1.00 0.00 C ATOM 0 H MET A 98 13.788 -6.698 23.065 1.00 0.00 H new ATOM 0 HA MET A 98 16.085 -5.548 21.738 1.00 0.00 H new ATOM 0 HB2 MET A 98 13.167 -5.040 21.112 1.00 0.00 H new ATOM 0 HB3 MET A 98 14.535 -5.006 20.018 1.00 0.00 H new ATOM 0 HG2 MET A 98 14.696 -7.586 20.817 1.00 0.00 H new ATOM 0 HG3 MET A 98 12.978 -7.333 21.047 1.00 0.00 H new ATOM 0 HE1 MET A 98 12.395 -9.000 17.716 1.00 0.00 H new ATOM 0 HE2 MET A 98 13.534 -9.571 18.958 1.00 0.00 H new ATOM 0 HE3 MET A 98 11.991 -8.829 19.441 1.00 0.00 H new ATOM 1491 N VAL A 99 15.635 -3.011 21.925 1.00 0.00 N ATOM 1492 CA VAL A 99 15.634 -1.613 22.338 1.00 0.00 C ATOM 1493 C VAL A 99 15.459 -0.686 21.140 1.00 0.00 C ATOM 1494 O VAL A 99 16.422 -0.366 20.443 1.00 0.00 O ATOM 1495 CB VAL A 99 16.936 -1.244 23.073 1.00 0.00 C ATOM 1496 CG1 VAL A 99 16.885 0.197 23.560 1.00 0.00 C ATOM 1497 CG2 VAL A 99 17.183 -2.198 24.231 1.00 0.00 C ATOM 0 H VAL A 99 16.174 -3.201 21.080 1.00 0.00 H new ATOM 0 HA VAL A 99 14.792 -1.485 23.019 1.00 0.00 H new ATOM 0 HB VAL A 99 17.766 -1.336 22.373 1.00 0.00 H new ATOM 0 HG11 VAL A 99 17.814 0.439 24.077 1.00 0.00 H new ATOM 0 HG12 VAL A 99 16.759 0.865 22.708 1.00 0.00 H new ATOM 0 HG13 VAL A 99 16.046 0.320 24.245 1.00 0.00 H new ATOM 0 HG21 VAL A 99 18.107 -1.922 24.739 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.352 -2.140 24.934 1.00 0.00 H new ATOM 0 HG23 VAL A 99 17.267 -3.216 23.852 1.00 0.00 H new ATOM 1507 N VAL A 100 14.223 -0.256 20.907 1.00 0.00 N ATOM 1508 CA VAL A 100 13.921 0.636 19.794 1.00 0.00 C ATOM 1509 C VAL A 100 13.746 2.073 20.273 1.00 0.00 C ATOM 1510 O VAL A 100 13.361 2.314 21.418 1.00 0.00 O ATOM 1511 CB VAL A 100 12.645 0.195 19.052 1.00 0.00 C ATOM 1512 CG1 VAL A 100 11.421 0.382 19.936 1.00 0.00 C ATOM 1513 CG2 VAL A 100 12.495 0.966 17.749 1.00 0.00 C ATOM 0 H VAL A 100 13.415 -0.511 21.474 1.00 0.00 H new ATOM 0 HA VAL A 100 14.767 0.585 19.109 1.00 0.00 H new ATOM 0 HB VAL A 100 12.732 -0.865 18.813 1.00 0.00 H new ATOM 0 HG11 VAL A 100 10.529 0.065 19.395 1.00 0.00 H new ATOM 0 HG12 VAL A 100 11.530 -0.218 20.839 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.326 1.433 20.208 1.00 0.00 H new ATOM 0 HG21 VAL A 100 11.589 0.643 17.237 1.00 0.00 H new ATOM 0 HG22 VAL A 100 12.430 2.033 17.963 1.00 0.00 H new ATOM 0 HG23 VAL A 100 13.359 0.776 17.112 1.00 0.00 H new ATOM 1523 N ARG A 101 14.030 3.024 19.390 1.00 0.00 N ATOM 1524 CA ARG A 101 13.905 4.438 19.723 1.00 0.00 C ATOM 1525 C ARG A 101 12.544 4.979 19.295 1.00 0.00 C ATOM 1526 O ARG A 101 12.213 4.986 18.109 1.00 0.00 O ATOM 1527 CB ARG A 101 15.020 5.242 19.052 1.00 0.00 C ATOM 1528 CG ARG A 101 16.378 5.070 19.712 1.00 0.00 C ATOM 1529 CD ARG A 101 16.489 5.897 20.982 1.00 0.00 C ATOM 1530 NE ARG A 101 17.867 6.298 21.256 1.00 0.00 N ATOM 1531 CZ ARG A 101 18.194 7.301 22.063 1.00 0.00 C ATOM 1532 NH1 ARG A 101 17.248 8.001 22.673 1.00 0.00 N ATOM 1533 NH2 ARG A 101 19.470 7.605 22.261 1.00 0.00 N ATOM 0 H ARG A 101 14.348 2.841 18.438 1.00 0.00 H new ATOM 0 HA ARG A 101 13.993 4.540 20.805 1.00 0.00 H new ATOM 0 HB2 ARG A 101 15.093 4.943 18.006 1.00 0.00 H new ATOM 0 HB3 ARG A 101 14.752 6.298 19.063 1.00 0.00 H new ATOM 0 HG2 ARG A 101 16.539 4.018 19.947 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.162 5.365 19.015 1.00 0.00 H new ATOM 0 HD2 ARG A 101 15.864 6.786 20.892 1.00 0.00 H new ATOM 0 HD3 ARG A 101 16.105 5.321 21.824 1.00 0.00 H new ATOM 0 HE ARG A 101 18.619 5.779 20.803 1.00 0.00 H new ATOM 0 HH11 ARG A 101 16.266 7.770 22.523 1.00 0.00 H new ATOM 0 HH12 ARG A 101 17.502 8.771 23.292 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.201 7.068 21.793 1.00 0.00 H new ATOM 0 HH22 ARG A 101 19.720 8.375 22.881 1.00 0.00 H new ATOM 1547 N ARG A 102 11.760 5.431 20.268 1.00 0.00 N ATOM 1548 CA ARG A 102 10.434 5.972 19.992 1.00 0.00 C ATOM 1549 C ARG A 102 10.238 7.312 20.694 1.00 0.00 C ATOM 1550 O ARG A 102 9.938 7.362 21.887 1.00 0.00 O ATOM 1551 CB ARG A 102 9.354 4.985 20.441 1.00 0.00 C ATOM 1552 CG ARG A 102 8.562 4.386 19.291 1.00 0.00 C ATOM 1553 CD ARG A 102 7.764 3.171 19.738 1.00 0.00 C ATOM 1554 NE ARG A 102 8.333 1.925 19.229 1.00 0.00 N ATOM 1555 CZ ARG A 102 7.954 0.721 19.642 1.00 0.00 C ATOM 1556 NH1 ARG A 102 7.010 0.601 20.565 1.00 0.00 N ATOM 1557 NH2 ARG A 102 8.519 -0.365 19.132 1.00 0.00 N ATOM 0 H ARG A 102 12.020 5.433 21.254 1.00 0.00 H new ATOM 0 HA ARG A 102 10.348 6.129 18.917 1.00 0.00 H new ATOM 0 HB2 ARG A 102 9.822 4.180 21.007 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.668 5.493 21.118 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.886 5.137 18.883 1.00 0.00 H new ATOM 0 HG3 ARG A 102 9.242 4.101 18.489 1.00 0.00 H new ATOM 0 HD2 ARG A 102 7.734 3.138 20.827 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.734 3.267 19.394 1.00 0.00 H new ATOM 0 HE ARG A 102 9.061 1.983 18.517 1.00 0.00 H new ATOM 0 HH11 ARG A 102 6.573 1.434 20.959 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.720 -0.325 20.881 1.00 0.00 H new ATOM 0 HH21 ARG A 102 9.246 -0.276 18.422 1.00 0.00 H new ATOM 0 HH22 ARG A 102 8.227 -1.289 19.450 1.00 0.00 H new ATOM 1571 N GLY A 103 10.409 8.397 19.946 1.00 0.00 N ATOM 1572 CA GLY A 103 10.246 9.723 20.513 1.00 0.00 C ATOM 1573 C GLY A 103 11.528 10.253 21.126 1.00 0.00 C ATOM 1574 O GLY A 103 11.520 10.781 22.237 1.00 0.00 O ATOM 0 H GLY A 103 10.658 8.382 18.957 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.908 10.408 19.736 1.00 0.00 H new ATOM 0 HA3 GLY A 103 9.467 9.696 21.275 1.00 0.00 H new ATOM 1578 N ASN A 104 12.632 10.109 20.400 1.00 0.00 N ATOM 1579 CA ASN A 104 13.928 10.575 20.880 1.00 0.00 C ATOM 1580 C ASN A 104 14.280 9.925 22.214 1.00 0.00 C ATOM 1581 O ASN A 104 15.026 10.489 23.013 1.00 0.00 O ATOM 1582 CB ASN A 104 13.923 12.098 21.028 1.00 0.00 C ATOM 1583 CG ASN A 104 15.075 12.755 20.293 1.00 0.00 C ATOM 1584 OD1 ASN A 104 14.889 13.735 19.572 1.00 0.00 O ATOM 1585 ND2 ASN A 104 16.275 12.215 20.473 1.00 0.00 N ATOM 0 H ASN A 104 12.655 9.674 19.478 1.00 0.00 H new ATOM 0 HA ASN A 104 14.683 10.290 20.147 1.00 0.00 H new ATOM 0 HB2 ASN A 104 12.981 12.494 20.649 1.00 0.00 H new ATOM 0 HB3 ASN A 104 13.975 12.358 22.085 1.00 0.00 H new ATOM 0 HD21 ASN A 104 17.089 12.613 20.004 1.00 0.00 H new ATOM 0 HD22 ASN A 104 16.383 11.402 21.080 1.00 0.00 H new ATOM 1592 N GLU A 105 13.737 8.734 22.448 1.00 0.00 N ATOM 1593 CA GLU A 105 13.993 8.007 23.685 1.00 0.00 C ATOM 1594 C GLU A 105 14.018 6.502 23.437 1.00 0.00 C ATOM 1595 O GLU A 105 13.268 5.986 22.608 1.00 0.00 O ATOM 1596 CB GLU A 105 12.929 8.345 24.731 1.00 0.00 C ATOM 1597 CG GLU A 105 11.509 8.076 24.263 1.00 0.00 C ATOM 1598 CD GLU A 105 10.483 8.291 25.359 1.00 0.00 C ATOM 1599 OE1 GLU A 105 10.505 9.370 25.988 1.00 0.00 O ATOM 1600 OE2 GLU A 105 9.659 7.382 25.588 1.00 0.00 O ATOM 0 H GLU A 105 13.117 8.253 21.797 1.00 0.00 H new ATOM 0 HA GLU A 105 14.970 8.312 24.059 1.00 0.00 H new ATOM 0 HB2 GLU A 105 13.121 7.765 25.633 1.00 0.00 H new ATOM 0 HB3 GLU A 105 13.020 9.397 25.003 1.00 0.00 H new ATOM 0 HG2 GLU A 105 11.278 8.729 23.421 1.00 0.00 H new ATOM 0 HG3 GLU A 105 11.438 7.051 23.900 1.00 0.00 H new ATOM 1607 N ASP A 106 14.887 5.803 24.160 1.00 0.00 N ATOM 1608 CA ASP A 106 15.010 4.357 24.019 1.00 0.00 C ATOM 1609 C ASP A 106 13.890 3.641 24.768 1.00 0.00 C ATOM 1610 O ASP A 106 13.505 4.047 25.864 1.00 0.00 O ATOM 1611 CB ASP A 106 16.370 3.887 24.539 1.00 0.00 C ATOM 1612 CG ASP A 106 17.502 4.799 24.108 1.00 0.00 C ATOM 1613 OD1 ASP A 106 17.594 5.923 24.644 1.00 0.00 O ATOM 1614 OD2 ASP A 106 18.294 4.389 23.234 1.00 0.00 O ATOM 0 H ASP A 106 15.516 6.215 24.849 1.00 0.00 H new ATOM 0 HA ASP A 106 14.930 4.111 22.960 1.00 0.00 H new ATOM 0 HB2 ASP A 106 16.342 3.837 25.628 1.00 0.00 H new ATOM 0 HB3 ASP A 106 16.564 2.877 24.179 1.00 0.00 H new ATOM 1619 N ILE A 107 13.372 2.575 24.167 1.00 0.00 N ATOM 1620 CA ILE A 107 12.297 1.803 24.777 1.00 0.00 C ATOM 1621 C ILE A 107 12.570 0.306 24.677 1.00 0.00 C ATOM 1622 O ILE A 107 12.877 -0.209 23.602 1.00 0.00 O ATOM 1623 CB ILE A 107 10.939 2.110 24.118 1.00 0.00 C ATOM 1624 CG1 ILE A 107 10.634 3.607 24.202 1.00 0.00 C ATOM 1625 CG2 ILE A 107 9.834 1.301 24.779 1.00 0.00 C ATOM 1626 CD1 ILE A 107 9.321 3.994 23.558 1.00 0.00 C ATOM 0 H ILE A 107 13.679 2.227 23.259 1.00 0.00 H new ATOM 0 HA ILE A 107 12.257 2.094 25.827 1.00 0.00 H new ATOM 0 HB ILE A 107 10.990 1.827 23.067 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.618 3.908 25.250 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.441 4.161 23.723 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.881 1.529 24.302 1.00 0.00 H new ATOM 0 HG22 ILE A 107 10.048 0.238 24.672 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.780 1.556 25.838 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.171 5.069 23.656 1.00 0.00 H new ATOM 0 HD12 ILE A 107 9.340 3.725 22.502 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.504 3.467 24.052 1.00 0.00 H new ATOM 1638 N MET A 108 12.455 -0.388 25.805 1.00 0.00 N ATOM 1639 CA MET A 108 12.686 -1.827 25.844 1.00 0.00 C ATOM 1640 C MET A 108 11.471 -2.587 25.323 1.00 0.00 C ATOM 1641 O MET A 108 10.333 -2.272 25.674 1.00 0.00 O ATOM 1642 CB MET A 108 13.010 -2.275 27.271 1.00 0.00 C ATOM 1643 CG MET A 108 14.464 -2.063 27.659 1.00 0.00 C ATOM 1644 SD MET A 108 15.025 -3.229 28.915 1.00 0.00 S ATOM 1645 CE MET A 108 16.623 -3.696 28.254 1.00 0.00 C ATOM 0 H MET A 108 12.203 0.023 26.704 1.00 0.00 H new ATOM 0 HA MET A 108 13.536 -2.051 25.199 1.00 0.00 H new ATOM 0 HB2 MET A 108 12.373 -1.730 27.968 1.00 0.00 H new ATOM 0 HB3 MET A 108 12.765 -3.332 27.376 1.00 0.00 H new ATOM 0 HG2 MET A 108 15.091 -2.161 26.772 1.00 0.00 H new ATOM 0 HG3 MET A 108 14.593 -1.046 28.030 1.00 0.00 H new ATOM 0 HE1 MET A 108 17.097 -4.416 28.922 1.00 0.00 H new ATOM 0 HE2 MET A 108 16.492 -4.145 27.270 1.00 0.00 H new ATOM 0 HE3 MET A 108 17.254 -2.811 28.168 1.00 0.00 H new ATOM 1655 N ILE A 109 11.719 -3.588 24.486 1.00 0.00 N ATOM 1656 CA ILE A 109 10.645 -4.393 23.918 1.00 0.00 C ATOM 1657 C ILE A 109 10.868 -5.877 24.188 1.00 0.00 C ATOM 1658 O ILE A 109 11.624 -6.542 23.478 1.00 0.00 O ATOM 1659 CB ILE A 109 10.517 -4.172 22.399 1.00 0.00 C ATOM 1660 CG1 ILE A 109 10.389 -2.680 22.088 1.00 0.00 C ATOM 1661 CG2 ILE A 109 9.322 -4.937 21.851 1.00 0.00 C ATOM 1662 CD1 ILE A 109 9.136 -2.050 22.654 1.00 0.00 C ATOM 0 H ILE A 109 12.655 -3.861 24.186 1.00 0.00 H new ATOM 0 HA ILE A 109 9.722 -4.073 24.402 1.00 0.00 H new ATOM 0 HB ILE A 109 11.418 -4.549 21.915 1.00 0.00 H new ATOM 0 HG12 ILE A 109 11.260 -2.158 22.486 1.00 0.00 H new ATOM 0 HG13 ILE A 109 10.400 -2.540 21.007 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.245 -4.771 20.777 1.00 0.00 H new ATOM 0 HG22 ILE A 109 9.452 -6.002 22.045 1.00 0.00 H new ATOM 0 HG23 ILE A 109 8.412 -4.588 22.338 1.00 0.00 H new ATOM 0 HD11 ILE A 109 9.112 -0.992 22.395 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.259 -2.546 22.237 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.133 -2.158 23.739 1.00 0.00 H new ATOM 1674 N THR A 110 10.204 -6.393 25.217 1.00 0.00 N ATOM 1675 CA THR A 110 10.330 -7.799 25.581 1.00 0.00 C ATOM 1676 C THR A 110 9.351 -8.661 24.791 1.00 0.00 C ATOM 1677 O THR A 110 8.140 -8.447 24.841 1.00 0.00 O ATOM 1678 CB THR A 110 10.086 -8.014 27.086 1.00 0.00 C ATOM 1679 OG1 THR A 110 10.790 -7.023 27.843 1.00 0.00 O ATOM 1680 CG2 THR A 110 10.537 -9.402 27.515 1.00 0.00 C ATOM 0 H THR A 110 9.573 -5.858 25.814 1.00 0.00 H new ATOM 0 HA THR A 110 11.350 -8.098 25.340 1.00 0.00 H new ATOM 0 HB THR A 110 9.016 -7.923 27.275 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.628 -7.166 28.799 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.355 -9.530 28.582 1.00 0.00 H new ATOM 0 HG22 THR A 110 9.978 -10.154 26.958 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.602 -9.517 27.313 1.00 0.00 H new ATOM 1688 N VAL A 111 9.884 -9.636 24.062 1.00 0.00 N ATOM 1689 CA VAL A 111 9.056 -10.532 23.262 1.00 0.00 C ATOM 1690 C VAL A 111 9.387 -11.991 23.553 1.00 0.00 C ATOM 1691 O VAL A 111 10.547 -12.345 23.767 1.00 0.00 O ATOM 1692 CB VAL A 111 9.236 -10.266 21.756 1.00 0.00 C ATOM 1693 CG1 VAL A 111 8.430 -11.264 20.938 1.00 0.00 C ATOM 1694 CG2 VAL A 111 8.836 -8.839 21.415 1.00 0.00 C ATOM 0 H VAL A 111 10.885 -9.826 24.009 1.00 0.00 H new ATOM 0 HA VAL A 111 8.019 -10.336 23.536 1.00 0.00 H new ATOM 0 HB VAL A 111 10.289 -10.393 21.506 1.00 0.00 H new ATOM 0 HG11 VAL A 111 8.569 -11.061 19.876 1.00 0.00 H new ATOM 0 HG12 VAL A 111 8.769 -12.276 21.161 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.373 -11.172 21.190 1.00 0.00 H new ATOM 0 HG21 VAL A 111 8.970 -8.669 20.347 1.00 0.00 H new ATOM 0 HG22 VAL A 111 7.790 -8.681 21.679 1.00 0.00 H new ATOM 0 HG23 VAL A 111 9.461 -8.143 21.974 1.00 0.00 H new ATOM 1704 N ILE A 112 8.361 -12.835 23.558 1.00 0.00 N ATOM 1705 CA ILE A 112 8.543 -14.257 23.821 1.00 0.00 C ATOM 1706 C ILE A 112 8.233 -15.089 22.581 1.00 0.00 C ATOM 1707 O ILE A 112 7.110 -15.548 22.376 1.00 0.00 O ATOM 1708 CB ILE A 112 7.650 -14.734 24.982 1.00 0.00 C ATOM 1709 CG1 ILE A 112 7.849 -13.841 26.208 1.00 0.00 C ATOM 1710 CG2 ILE A 112 7.954 -16.185 25.322 1.00 0.00 C ATOM 1711 CD1 ILE A 112 9.284 -13.780 26.684 1.00 0.00 C ATOM 0 H ILE A 112 7.395 -12.559 23.383 1.00 0.00 H new ATOM 0 HA ILE A 112 9.588 -14.396 24.097 1.00 0.00 H new ATOM 0 HB ILE A 112 6.608 -14.665 24.671 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.510 -12.832 25.972 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.220 -14.207 27.020 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.315 -16.508 26.144 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.766 -16.810 24.449 1.00 0.00 H new ATOM 0 HG23 ILE A 112 8.999 -16.278 25.617 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.351 -13.129 27.556 1.00 0.00 H new ATOM 0 HD12 ILE A 112 9.621 -14.781 26.952 1.00 0.00 H new ATOM 0 HD13 ILE A 112 9.915 -13.386 25.888 1.00 0.00 H new ATOM 1723 N PRO A 113 9.254 -15.291 21.734 1.00 0.00 N ATOM 1724 CA PRO A 113 9.116 -16.072 20.501 1.00 0.00 C ATOM 1725 C PRO A 113 8.920 -17.559 20.775 1.00 0.00 C ATOM 1726 O PRO A 113 9.650 -18.154 21.566 1.00 0.00 O ATOM 1727 CB PRO A 113 10.444 -15.831 19.779 1.00 0.00 C ATOM 1728 CG PRO A 113 11.411 -15.502 20.864 1.00 0.00 C ATOM 1729 CD PRO A 113 10.621 -14.774 21.916 1.00 0.00 C ATOM 0 HA PRO A 113 8.241 -15.773 19.924 1.00 0.00 H new ATOM 0 HB2 PRO A 113 10.758 -16.714 19.223 1.00 0.00 H new ATOM 0 HB3 PRO A 113 10.362 -15.015 19.061 1.00 0.00 H new ATOM 0 HG2 PRO A 113 11.863 -16.406 21.271 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.224 -14.881 20.487 1.00 0.00 H new ATOM 0 HD2 PRO A 113 10.999 -14.981 22.917 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.664 -13.694 21.776 1.00 0.00 H new ATOM 1737 N GLU A 114 7.931 -18.152 20.114 1.00 0.00 N ATOM 1738 CA GLU A 114 7.640 -19.571 20.288 1.00 0.00 C ATOM 1739 C GLU A 114 8.420 -20.413 19.283 1.00 0.00 C ATOM 1740 O GLU A 114 8.577 -20.028 18.125 1.00 0.00 O ATOM 1741 CB GLU A 114 6.140 -19.829 20.131 1.00 0.00 C ATOM 1742 CG GLU A 114 5.270 -18.852 20.903 1.00 0.00 C ATOM 1743 CD GLU A 114 3.789 -19.131 20.736 1.00 0.00 C ATOM 1744 OE1 GLU A 114 3.328 -20.189 21.212 1.00 0.00 O ATOM 1745 OE2 GLU A 114 3.092 -18.292 20.128 1.00 0.00 O ATOM 0 H GLU A 114 7.318 -17.673 19.454 1.00 0.00 H new ATOM 0 HA GLU A 114 7.948 -19.859 21.293 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.880 -19.777 19.074 1.00 0.00 H new ATOM 0 HB3 GLU A 114 5.917 -20.843 20.465 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.528 -18.900 21.961 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.485 -17.837 20.568 1.00 0.00 H new