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= -0.231 X(o=-0.23,f=-0.28) USER MOD Single : A 19 LYS NZ :NH3+ -134:sc= 1.16 (180deg=0.332) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -127:sc= -0.016 (180deg=-4.43!) USER MOD Single : A 26 MET CE :methyl -161:sc= -0.869 (180deg=-2.14) USER MOD Single : A 27 SER OG : rot 41:sc= 0.686 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.375 USER MOD Single : A 30 SER OG : rot 180:sc= 0.0453 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+ 149:sc= 0.181 (180deg=0.000464) USER MOD Single : A 40 HIS :FLIP no HE2:sc=-0.00545 F(o=-0.78,f=-0.0054) USER MOD Single : A 48 SER OG : rot 180:sc= -0.0863 USER MOD Single : A 59 THR OG1 : rot -126:sc= 1.22 USER MOD Single : A 67 LYS NZ :NH3+ -151:sc= -0.112 (180deg=-0.568) USER MOD Single : A 74 SER OG : rot 180:sc= -0.0539 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 GLN : amide:sc= -0.0802 X(o=-0.08,f=-0.08) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 41:sc= 0.558 USER MOD Single : A 84 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 SER OG : rot -56:sc= 0.795 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.109 X(o=-0.11,f=0) USER MOD Single : A 98 MET CE :methyl 169:sc= -1.96! (180deg=-2.17!) USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,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 12.203 -20.153 15.596 1.00 0.00 N ATOM 256 CA LYS A 19 11.201 -19.364 16.302 1.00 0.00 C ATOM 257 C LYS A 19 10.465 -18.435 15.343 1.00 0.00 C ATOM 258 O LYS A 19 10.909 -18.212 14.216 1.00 0.00 O ATOM 259 CB LYS A 19 11.858 -18.547 17.417 1.00 0.00 C ATOM 260 CG LYS A 19 11.864 -19.250 18.764 1.00 0.00 C ATOM 261 CD LYS A 19 12.930 -20.331 18.824 1.00 0.00 C ATOM 262 CE LYS A 19 13.735 -20.249 20.112 1.00 0.00 C ATOM 263 NZ LYS A 19 14.926 -21.141 20.079 1.00 0.00 N ATOM 0 HA LYS A 19 10.478 -20.051 16.741 1.00 0.00 H new ATOM 0 HB2 LYS A 19 12.885 -18.318 17.131 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.335 -17.596 17.515 1.00 0.00 H new ATOM 0 HG2 LYS A 19 12.039 -18.521 19.555 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.885 -19.692 18.949 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.460 -21.312 18.749 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.599 -20.232 17.969 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.056 -19.220 20.275 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.100 -20.522 20.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.989 -21.670 20.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.837 -21.809 19.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 15.785 -20.568 19.955 1.00 0.00 H new ATOM 277 N TYR A 20 9.340 -17.894 15.796 1.00 0.00 N ATOM 278 CA TYR A 20 8.542 -16.989 14.977 1.00 0.00 C ATOM 279 C TYR A 20 7.822 -15.961 15.844 1.00 0.00 C ATOM 280 O TYR A 20 7.503 -16.226 17.004 1.00 0.00 O ATOM 281 CB TYR A 20 7.525 -17.778 14.150 1.00 0.00 C ATOM 282 CG TYR A 20 6.145 -17.817 14.766 1.00 0.00 C ATOM 283 CD1 TYR A 20 5.846 -18.701 15.794 1.00 0.00 C ATOM 284 CD2 TYR A 20 5.140 -16.968 14.318 1.00 0.00 C ATOM 285 CE1 TYR A 20 4.585 -18.740 16.359 1.00 0.00 C ATOM 286 CE2 TYR A 20 3.877 -16.999 14.878 1.00 0.00 C ATOM 287 CZ TYR A 20 3.604 -17.887 15.897 1.00 0.00 C ATOM 288 OH TYR A 20 2.348 -17.923 16.458 1.00 0.00 O ATOM 0 H TYR A 20 8.960 -18.066 16.727 1.00 0.00 H new ATOM 0 HA TYR A 20 9.216 -16.460 14.303 1.00 0.00 H new ATOM 0 HB2 TYR A 20 7.458 -17.337 13.155 1.00 0.00 H new ATOM 0 HB3 TYR A 20 7.886 -18.799 14.023 1.00 0.00 H new ATOM 0 HD1 TYR A 20 6.612 -19.370 16.158 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.350 -16.272 13.519 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.369 -19.434 17.158 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.108 -16.331 14.519 1.00 0.00 H new ATOM 0 HH TYR A 20 1.775 -17.259 16.021 1.00 0.00 H new ATOM 298 N ILE A 21 7.568 -14.789 15.273 1.00 0.00 N ATOM 299 CA ILE A 21 6.884 -13.721 15.993 1.00 0.00 C ATOM 300 C ILE A 21 6.046 -12.869 15.045 1.00 0.00 C ATOM 301 O ILE A 21 5.635 -11.762 15.389 1.00 0.00 O ATOM 302 CB ILE A 21 7.882 -12.813 16.735 1.00 0.00 C ATOM 303 CG1 ILE A 21 8.903 -12.232 15.755 1.00 0.00 C ATOM 304 CG2 ILE A 21 8.582 -13.589 17.840 1.00 0.00 C ATOM 305 CD1 ILE A 21 9.749 -11.127 16.348 1.00 0.00 C ATOM 0 H ILE A 21 7.825 -14.554 14.314 1.00 0.00 H new ATOM 0 HA ILE A 21 6.230 -14.200 16.722 1.00 0.00 H new ATOM 0 HB ILE A 21 7.333 -11.988 17.189 1.00 0.00 H new ATOM 0 HG12 ILE A 21 9.557 -13.032 15.407 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.377 -11.847 14.881 1.00 0.00 H new ATOM 0 HG21 ILE A 21 9.284 -12.934 18.356 1.00 0.00 H new ATOM 0 HG22 ILE A 21 7.842 -13.959 18.550 1.00 0.00 H new ATOM 0 HG23 ILE A 21 9.122 -14.431 17.407 1.00 0.00 H new ATOM 0 HD11 ILE A 21 10.450 -10.763 15.597 1.00 0.00 H new ATOM 0 HD12 ILE A 21 9.105 -10.309 16.670 1.00 0.00 H new ATOM 0 HD13 ILE A 21 10.302 -11.512 17.204 1.00 0.00 H new ATOM 317 N GLY A 22 5.795 -13.395 13.850 1.00 0.00 N ATOM 318 CA GLY A 22 5.006 -12.670 12.871 1.00 0.00 C ATOM 319 C GLY A 22 5.475 -11.240 12.692 1.00 0.00 C ATOM 320 O GLY A 22 4.867 -10.309 13.220 1.00 0.00 O ATOM 0 H GLY A 22 6.124 -14.310 13.542 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.056 -13.188 11.913 1.00 0.00 H new ATOM 0 HA3 GLY A 22 3.961 -12.670 13.179 1.00 0.00 H new ATOM 324 N ILE A 23 6.561 -11.065 11.947 1.00 0.00 N ATOM 325 CA ILE A 23 7.112 -9.738 11.701 1.00 0.00 C ATOM 326 C ILE A 23 7.818 -9.678 10.350 1.00 0.00 C ATOM 327 O ILE A 23 8.517 -10.613 9.962 1.00 0.00 O ATOM 328 CB ILE A 23 8.104 -9.326 12.805 1.00 0.00 C ATOM 329 CG1 ILE A 23 9.312 -10.266 12.811 1.00 0.00 C ATOM 330 CG2 ILE A 23 7.417 -9.328 14.162 1.00 0.00 C ATOM 331 CD1 ILE A 23 10.559 -9.652 12.215 1.00 0.00 C ATOM 0 H ILE A 23 7.077 -11.825 11.503 1.00 0.00 H new ATOM 0 HA ILE A 23 6.272 -9.043 11.701 1.00 0.00 H new ATOM 0 HB ILE A 23 8.455 -8.315 12.600 1.00 0.00 H new ATOM 0 HG12 ILE A 23 9.521 -10.569 13.837 1.00 0.00 H new ATOM 0 HG13 ILE A 23 9.061 -11.170 12.256 1.00 0.00 H new ATOM 0 HG21 ILE A 23 8.131 -9.035 14.932 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.586 -8.623 14.150 1.00 0.00 H new ATOM 0 HG23 ILE A 23 7.041 -10.328 14.378 1.00 0.00 H new ATOM 0 HD11 ILE A 23 11.374 -10.375 12.253 1.00 0.00 H new ATOM 0 HD12 ILE A 23 10.368 -9.374 11.178 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.835 -8.764 12.784 1.00 0.00 H new ATOM 343 N ARG A 24 7.631 -8.570 9.640 1.00 0.00 N ATOM 344 CA ARG A 24 8.250 -8.387 8.333 1.00 0.00 C ATOM 345 C ARG A 24 9.228 -7.216 8.354 1.00 0.00 C ATOM 346 O ARG A 24 8.865 -6.099 8.723 1.00 0.00 O ATOM 347 CB ARG A 24 7.179 -8.153 7.266 1.00 0.00 C ATOM 348 CG ARG A 24 6.172 -9.285 7.155 1.00 0.00 C ATOM 349 CD ARG A 24 5.561 -9.353 5.764 1.00 0.00 C ATOM 350 NE ARG A 24 5.001 -10.671 5.476 1.00 0.00 N ATOM 351 CZ ARG A 24 4.504 -11.016 4.294 1.00 0.00 C ATOM 352 NH1 ARG A 24 4.498 -10.146 3.294 1.00 0.00 N ATOM 353 NH2 ARG A 24 4.013 -12.235 4.109 1.00 0.00 N ATOM 0 H ARG A 24 7.056 -7.786 9.948 1.00 0.00 H new ATOM 0 HA ARG A 24 8.802 -9.295 8.090 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.649 -7.228 7.492 1.00 0.00 H new ATOM 0 HB3 ARG A 24 7.665 -8.014 6.300 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.660 -10.232 7.386 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.383 -9.145 7.894 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.779 -8.599 5.674 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.322 -9.112 5.022 1.00 0.00 H new ATOM 0 HE ARG A 24 4.991 -11.364 6.224 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.876 -9.209 3.431 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.116 -10.414 2.387 1.00 0.00 H new ATOM 0 HH21 ARG A 24 4.017 -12.908 4.875 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.632 -12.499 3.201 1.00 0.00 H new ATOM 367 N MET A 25 10.468 -7.479 7.955 1.00 0.00 N ATOM 368 CA MET A 25 11.497 -6.446 7.927 1.00 0.00 C ATOM 369 C MET A 25 12.314 -6.527 6.641 1.00 0.00 C ATOM 370 O MET A 25 12.360 -7.570 5.989 1.00 0.00 O ATOM 371 CB MET A 25 12.419 -6.582 9.140 1.00 0.00 C ATOM 372 CG MET A 25 11.675 -6.813 10.446 1.00 0.00 C ATOM 373 SD MET A 25 12.769 -6.807 11.879 1.00 0.00 S ATOM 374 CE MET A 25 13.657 -8.343 11.634 1.00 0.00 C ATOM 0 H MET A 25 10.785 -8.398 7.647 1.00 0.00 H new ATOM 0 HA MET A 25 11.003 -5.475 7.962 1.00 0.00 H new ATOM 0 HB2 MET A 25 13.107 -7.410 8.972 1.00 0.00 H new ATOM 0 HB3 MET A 25 13.023 -5.679 9.230 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.917 -6.040 10.569 1.00 0.00 H new ATOM 0 HG3 MET A 25 11.151 -7.768 10.397 1.00 0.00 H new ATOM 0 HE1 MET A 25 13.591 -8.949 12.537 1.00 0.00 H new ATOM 0 HE2 MET A 25 13.218 -8.888 10.798 1.00 0.00 H new ATOM 0 HE3 MET A 25 14.703 -8.128 11.417 1.00 0.00 H new ATOM 384 N MET A 26 12.956 -5.421 6.283 1.00 0.00 N ATOM 385 CA MET A 26 13.772 -5.368 5.075 1.00 0.00 C ATOM 386 C MET A 26 15.178 -4.866 5.390 1.00 0.00 C ATOM 387 O MET A 26 15.362 -4.014 6.260 1.00 0.00 O ATOM 388 CB MET A 26 13.117 -4.463 4.030 1.00 0.00 C ATOM 389 CG MET A 26 13.010 -3.010 4.466 1.00 0.00 C ATOM 390 SD MET A 26 13.666 -1.867 3.236 1.00 0.00 S ATOM 391 CE MET A 26 13.061 -0.304 3.869 1.00 0.00 C ATOM 0 H MET A 26 12.928 -4.549 6.811 1.00 0.00 H new ATOM 0 HA MET A 26 13.848 -6.379 4.673 1.00 0.00 H new ATOM 0 HB2 MET A 26 13.691 -4.515 3.105 1.00 0.00 H new ATOM 0 HB3 MET A 26 12.119 -4.842 3.807 1.00 0.00 H new ATOM 0 HG2 MET A 26 11.965 -2.769 4.660 1.00 0.00 H new ATOM 0 HG3 MET A 26 13.548 -2.876 5.405 1.00 0.00 H new ATOM 0 HE1 MET A 26 13.082 0.443 3.075 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.038 -0.427 4.224 1.00 0.00 H new ATOM 0 HE3 MET A 26 13.694 0.024 4.693 1.00 0.00 H new ATOM 401 N SER A 27 16.165 -5.399 4.678 1.00 0.00 N ATOM 402 CA SER A 27 17.554 -5.008 4.885 1.00 0.00 C ATOM 403 C SER A 27 17.717 -3.496 4.763 1.00 0.00 C ATOM 404 O SER A 27 17.622 -2.936 3.670 1.00 0.00 O ATOM 405 CB SER A 27 18.461 -5.713 3.874 1.00 0.00 C ATOM 406 OG SER A 27 18.088 -5.393 2.545 1.00 0.00 O ATOM 0 H SER A 27 16.029 -6.103 3.953 1.00 0.00 H new ATOM 0 HA SER A 27 17.843 -5.307 5.892 1.00 0.00 H new ATOM 0 HB2 SER A 27 19.497 -5.421 4.045 1.00 0.00 H new ATOM 0 HB3 SER A 27 18.405 -6.792 4.021 1.00 0.00 H new ATOM 0 HG SER A 27 17.869 -4.440 2.487 1.00 0.00 H new ATOM 412 N LEU A 28 17.962 -2.841 5.892 1.00 0.00 N ATOM 413 CA LEU A 28 18.138 -1.393 5.914 1.00 0.00 C ATOM 414 C LEU A 28 19.478 -0.998 5.300 1.00 0.00 C ATOM 415 O LEU A 28 20.522 -1.546 5.656 1.00 0.00 O ATOM 416 CB LEU A 28 18.046 -0.869 7.348 1.00 0.00 C ATOM 417 CG LEU A 28 17.030 0.247 7.592 1.00 0.00 C ATOM 418 CD1 LEU A 28 16.981 0.611 9.068 1.00 0.00 C ATOM 419 CD2 LEU A 28 17.368 1.469 6.750 1.00 0.00 C ATOM 0 H LEU A 28 18.043 -3.289 6.805 1.00 0.00 H new ATOM 0 HA LEU A 28 17.341 -0.946 5.320 1.00 0.00 H new ATOM 0 HB2 LEU A 28 17.802 -1.705 8.004 1.00 0.00 H new ATOM 0 HB3 LEU A 28 19.031 -0.508 7.645 1.00 0.00 H new ATOM 0 HG LEU A 28 16.045 -0.113 7.295 1.00 0.00 H new ATOM 0 HD11 LEU A 28 16.252 1.407 9.222 1.00 0.00 H new ATOM 0 HD12 LEU A 28 16.691 -0.264 9.649 1.00 0.00 H new ATOM 0 HD13 LEU A 28 17.965 0.952 9.392 1.00 0.00 H new ATOM 0 HD21 LEU A 28 16.634 2.253 6.936 1.00 0.00 H new ATOM 0 HD22 LEU A 28 18.361 1.831 7.016 1.00 0.00 H new ATOM 0 HD23 LEU A 28 17.351 1.199 5.694 1.00 0.00 H new ATOM 431 N THR A 29 19.442 -0.041 4.378 1.00 0.00 N ATOM 432 CA THR A 29 20.652 0.428 3.716 1.00 0.00 C ATOM 433 C THR A 29 20.926 1.892 4.044 1.00 0.00 C ATOM 434 O THR A 29 20.048 2.603 4.534 1.00 0.00 O ATOM 435 CB THR A 29 20.556 0.266 2.187 1.00 0.00 C ATOM 436 OG1 THR A 29 19.641 1.228 1.649 1.00 0.00 O ATOM 437 CG2 THR A 29 20.098 -1.137 1.820 1.00 0.00 C ATOM 0 H THR A 29 18.587 0.424 4.073 1.00 0.00 H new ATOM 0 HA THR A 29 21.473 -0.185 4.088 1.00 0.00 H new ATOM 0 HB THR A 29 21.547 0.431 1.763 1.00 0.00 H new ATOM 0 HG1 THR A 29 19.587 1.120 0.677 1.00 0.00 H new ATOM 0 HG21 THR A 29 20.038 -1.228 0.735 1.00 0.00 H new ATOM 0 HG22 THR A 29 20.811 -1.865 2.206 1.00 0.00 H new ATOM 0 HG23 THR A 29 19.116 -1.325 2.255 1.00 0.00 H new ATOM 445 N SER A 30 22.148 2.336 3.770 1.00 0.00 N ATOM 446 CA SER A 30 22.538 3.715 4.039 1.00 0.00 C ATOM 447 C SER A 30 21.700 4.688 3.215 1.00 0.00 C ATOM 448 O SER A 30 21.365 5.779 3.675 1.00 0.00 O ATOM 449 CB SER A 30 24.023 3.917 3.731 1.00 0.00 C ATOM 450 OG SER A 30 24.422 3.142 2.614 1.00 0.00 O ATOM 0 H SER A 30 22.885 1.761 3.362 1.00 0.00 H new ATOM 0 HA SER A 30 22.362 3.916 5.096 1.00 0.00 H new ATOM 0 HB2 SER A 30 24.217 4.971 3.534 1.00 0.00 H new ATOM 0 HB3 SER A 30 24.619 3.641 4.601 1.00 0.00 H new ATOM 0 HG SER A 30 25.374 3.290 2.437 1.00 0.00 H new ATOM 456 N SER A 31 21.364 4.282 1.995 1.00 0.00 N ATOM 457 CA SER A 31 20.568 5.118 1.104 1.00 0.00 C ATOM 458 C SER A 31 19.093 5.070 1.488 1.00 0.00 C ATOM 459 O SER A 31 18.358 6.040 1.301 1.00 0.00 O ATOM 460 CB SER A 31 20.744 4.666 -0.347 1.00 0.00 C ATOM 461 OG SER A 31 22.111 4.443 -0.650 1.00 0.00 O ATOM 0 H SER A 31 21.630 3.380 1.601 1.00 0.00 H new ATOM 0 HA SER A 31 20.918 6.146 1.202 1.00 0.00 H new ATOM 0 HB2 SER A 31 20.177 3.751 -0.517 1.00 0.00 H new ATOM 0 HB3 SER A 31 20.338 5.423 -1.019 1.00 0.00 H new ATOM 0 HG SER A 31 22.196 4.153 -1.582 1.00 0.00 H new ATOM 467 N LYS A 32 18.665 3.933 2.027 1.00 0.00 N ATOM 468 CA LYS A 32 17.278 3.756 2.439 1.00 0.00 C ATOM 469 C LYS A 32 16.996 4.506 3.737 1.00 0.00 C ATOM 470 O LYS A 32 15.961 5.157 3.877 1.00 0.00 O ATOM 471 CB LYS A 32 16.964 2.269 2.619 1.00 0.00 C ATOM 472 CG LYS A 32 15.518 1.994 2.994 1.00 0.00 C ATOM 473 CD LYS A 32 14.574 2.310 1.847 1.00 0.00 C ATOM 474 CE LYS A 32 14.547 1.187 0.821 1.00 0.00 C ATOM 475 NZ LYS A 32 14.931 1.665 -0.536 1.00 0.00 N ATOM 0 H LYS A 32 19.260 3.120 2.189 1.00 0.00 H new ATOM 0 HA LYS A 32 16.638 4.165 1.657 1.00 0.00 H new ATOM 0 HB2 LYS A 32 17.197 1.742 1.694 1.00 0.00 H new ATOM 0 HB3 LYS A 32 17.615 1.860 3.391 1.00 0.00 H new ATOM 0 HG2 LYS A 32 15.408 0.948 3.279 1.00 0.00 H new ATOM 0 HG3 LYS A 32 15.247 2.592 3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 32 13.569 2.473 2.236 1.00 0.00 H new ATOM 0 HD3 LYS A 32 14.883 3.237 1.365 1.00 0.00 H new ATOM 0 HE2 LYS A 32 15.227 0.394 1.133 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.548 0.753 0.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.900 0.870 -1.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.267 2.404 -0.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 15.894 2.056 -0.507 1.00 0.00 H new ATOM 489 N ALA A 33 17.925 4.412 4.683 1.00 0.00 N ATOM 490 CA ALA A 33 17.777 5.085 5.968 1.00 0.00 C ATOM 491 C ALA A 33 17.846 6.600 5.805 1.00 0.00 C ATOM 492 O ALA A 33 16.971 7.326 6.275 1.00 0.00 O ATOM 493 CB ALA A 33 18.846 4.608 6.940 1.00 0.00 C ATOM 0 H ALA A 33 18.788 3.877 4.584 1.00 0.00 H new ATOM 0 HA ALA A 33 16.796 4.833 6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 33 18.723 5.119 7.895 1.00 0.00 H new ATOM 0 HB2 ALA A 33 18.749 3.533 7.089 1.00 0.00 H new ATOM 0 HB3 ALA A 33 19.833 4.830 6.534 1.00 0.00 H new ATOM 499 N LYS A 34 18.894 7.071 5.137 1.00 0.00 N ATOM 500 CA LYS A 34 19.078 8.500 4.911 1.00 0.00 C ATOM 501 C LYS A 34 17.844 9.111 4.256 1.00 0.00 C ATOM 502 O LYS A 34 17.550 10.291 4.446 1.00 0.00 O ATOM 503 CB LYS A 34 20.308 8.744 4.034 1.00 0.00 C ATOM 504 CG LYS A 34 21.581 8.990 4.825 1.00 0.00 C ATOM 505 CD LYS A 34 22.762 9.265 3.910 1.00 0.00 C ATOM 506 CE LYS A 34 22.586 10.571 3.149 1.00 0.00 C ATOM 507 NZ LYS A 34 23.808 11.419 3.214 1.00 0.00 N ATOM 0 H LYS A 34 19.629 6.484 4.743 1.00 0.00 H new ATOM 0 HA LYS A 34 19.228 8.979 5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 34 20.456 7.883 3.383 1.00 0.00 H new ATOM 0 HB3 LYS A 34 20.119 9.602 3.389 1.00 0.00 H new ATOM 0 HG2 LYS A 34 21.435 9.836 5.497 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.797 8.122 5.448 1.00 0.00 H new ATOM 0 HD2 LYS A 34 23.678 9.307 4.499 1.00 0.00 H new ATOM 0 HD3 LYS A 34 22.875 8.443 3.203 1.00 0.00 H new ATOM 0 HE2 LYS A 34 22.349 10.355 2.107 1.00 0.00 H new ATOM 0 HE3 LYS A 34 21.740 11.121 3.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 23.648 12.299 2.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 24.021 11.646 4.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 24.610 10.905 2.797 1.00 0.00 H new ATOM 521 N GLU A 35 17.125 8.300 3.487 1.00 0.00 N ATOM 522 CA GLU A 35 15.921 8.762 2.805 1.00 0.00 C ATOM 523 C GLU A 35 14.684 8.528 3.667 1.00 0.00 C ATOM 524 O GLU A 35 13.679 9.227 3.533 1.00 0.00 O ATOM 525 CB GLU A 35 15.763 8.048 1.461 1.00 0.00 C ATOM 526 CG GLU A 35 16.830 8.420 0.445 1.00 0.00 C ATOM 527 CD GLU A 35 16.588 9.778 -0.185 1.00 0.00 C ATOM 528 OE1 GLU A 35 16.850 10.798 0.487 1.00 0.00 O ATOM 529 OE2 GLU A 35 16.137 9.821 -1.348 1.00 0.00 O ATOM 0 H GLU A 35 17.355 7.320 3.320 1.00 0.00 H new ATOM 0 HA GLU A 35 16.022 9.833 2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 35 15.790 6.971 1.626 1.00 0.00 H new ATOM 0 HB3 GLU A 35 14.782 8.283 1.048 1.00 0.00 H new ATOM 0 HG2 GLU A 35 17.806 8.418 0.931 1.00 0.00 H new ATOM 0 HG3 GLU A 35 16.862 7.661 -0.337 1.00 0.00 H new ATOM 536 N LEU A 36 14.764 7.539 4.550 1.00 0.00 N ATOM 537 CA LEU A 36 13.651 7.211 5.434 1.00 0.00 C ATOM 538 C LEU A 36 13.352 8.366 6.385 1.00 0.00 C ATOM 539 O LEU A 36 12.201 8.595 6.757 1.00 0.00 O ATOM 540 CB LEU A 36 13.966 5.946 6.234 1.00 0.00 C ATOM 541 CG LEU A 36 13.460 4.632 5.638 1.00 0.00 C ATOM 542 CD1 LEU A 36 14.049 3.445 6.386 1.00 0.00 C ATOM 543 CD2 LEU A 36 11.940 4.582 5.668 1.00 0.00 C ATOM 0 H LEU A 36 15.588 6.950 4.673 1.00 0.00 H new ATOM 0 HA LEU A 36 12.769 7.034 4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.047 5.875 6.353 1.00 0.00 H new ATOM 0 HB3 LEU A 36 13.542 6.056 7.232 1.00 0.00 H new ATOM 0 HG LEU A 36 13.784 4.578 4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 36 13.678 2.518 5.948 1.00 0.00 H new ATOM 0 HD12 LEU A 36 15.136 3.471 6.312 1.00 0.00 H new ATOM 0 HD13 LEU A 36 13.756 3.494 7.435 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.598 3.640 5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.594 4.659 6.699 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.537 5.412 5.087 1.00 0.00 H new ATOM 555 N LYS A 37 14.394 9.092 6.772 1.00 0.00 N ATOM 556 CA LYS A 37 14.244 10.226 7.676 1.00 0.00 C ATOM 557 C LYS A 37 13.793 11.471 6.918 1.00 0.00 C ATOM 558 O LYS A 37 12.929 12.214 7.384 1.00 0.00 O ATOM 559 CB LYS A 37 15.564 10.508 8.398 1.00 0.00 C ATOM 560 CG LYS A 37 15.387 10.913 9.851 1.00 0.00 C ATOM 561 CD LYS A 37 16.703 10.860 10.609 1.00 0.00 C ATOM 562 CE LYS A 37 16.708 11.824 11.786 1.00 0.00 C ATOM 563 NZ LYS A 37 18.020 12.514 11.931 1.00 0.00 N ATOM 0 H LYS A 37 15.353 8.915 6.474 1.00 0.00 H new ATOM 0 HA LYS A 37 13.481 9.972 8.412 1.00 0.00 H new ATOM 0 HB2 LYS A 37 16.191 9.618 8.351 1.00 0.00 H new ATOM 0 HB3 LYS A 37 16.095 11.300 7.871 1.00 0.00 H new ATOM 0 HG2 LYS A 37 14.978 11.922 9.901 1.00 0.00 H new ATOM 0 HG3 LYS A 37 14.664 10.252 10.329 1.00 0.00 H new ATOM 0 HD2 LYS A 37 16.877 9.845 10.968 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.523 11.104 9.934 1.00 0.00 H new ATOM 0 HE2 LYS A 37 15.920 12.565 11.652 1.00 0.00 H new ATOM 0 HE3 LYS A 37 16.480 11.280 12.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.871 13.463 12.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.633 11.964 12.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.473 12.597 10.999 1.00 0.00 H new ATOM 577 N ASP A 38 14.381 11.690 5.747 1.00 0.00 N ATOM 578 CA ASP A 38 14.037 12.843 4.923 1.00 0.00 C ATOM 579 C ASP A 38 12.567 12.801 4.517 1.00 0.00 C ATOM 580 O ASP A 38 11.956 13.837 4.252 1.00 0.00 O ATOM 581 CB ASP A 38 14.922 12.888 3.676 1.00 0.00 C ATOM 582 CG ASP A 38 15.167 14.303 3.191 1.00 0.00 C ATOM 583 OD1 ASP A 38 14.350 15.191 3.514 1.00 0.00 O ATOM 584 OD2 ASP A 38 16.175 14.524 2.488 1.00 0.00 O ATOM 0 H ASP A 38 15.098 11.085 5.347 1.00 0.00 H new ATOM 0 HA ASP A 38 14.207 13.744 5.513 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.878 12.411 3.895 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.453 12.310 2.880 1.00 0.00 H new ATOM 589 N ARG A 39 12.006 11.598 4.468 1.00 0.00 N ATOM 590 CA ARG A 39 10.608 11.421 4.092 1.00 0.00 C ATOM 591 C ARG A 39 9.732 11.237 5.327 1.00 0.00 C ATOM 592 O ARG A 39 8.722 11.923 5.493 1.00 0.00 O ATOM 593 CB ARG A 39 10.457 10.216 3.162 1.00 0.00 C ATOM 594 CG ARG A 39 10.488 10.578 1.686 1.00 0.00 C ATOM 595 CD ARG A 39 10.394 9.340 0.807 1.00 0.00 C ATOM 596 NE ARG A 39 9.452 9.522 -0.294 1.00 0.00 N ATOM 597 CZ ARG A 39 8.919 8.516 -0.979 1.00 0.00 C ATOM 598 NH1 ARG A 39 9.233 7.264 -0.676 1.00 0.00 N ATOM 599 NH2 ARG A 39 8.069 8.762 -1.968 1.00 0.00 N ATOM 0 H ARG A 39 12.498 10.731 4.684 1.00 0.00 H new ATOM 0 HA ARG A 39 10.282 12.319 3.568 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.257 9.505 3.370 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.516 9.712 3.384 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.662 11.251 1.458 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.409 11.116 1.461 1.00 0.00 H new ATOM 0 HD2 ARG A 39 11.380 9.104 0.406 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.084 8.488 1.412 1.00 0.00 H new ATOM 0 HE ARG A 39 9.189 10.473 -0.551 1.00 0.00 H new ATOM 0 HH11 ARG A 39 9.885 7.071 0.084 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.823 6.493 -1.203 1.00 0.00 H new ATOM 0 HH21 ARG A 39 7.824 9.724 -2.203 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.660 7.989 -2.493 1.00 0.00 H new ATOM 613 N HIS A 40 10.124 10.307 6.192 1.00 0.00 N ATOM 614 CA HIS A 40 9.374 10.033 7.413 1.00 0.00 C ATOM 615 C HIS A 40 9.971 10.785 8.598 1.00 0.00 C ATOM 616 O HIS A 40 10.953 10.344 9.194 1.00 0.00 O ATOM 617 CB HIS A 40 9.360 8.531 7.701 1.00 0.00 C ATOM 618 CG HIS A 40 9.023 7.694 6.506 1.00 0.00 C ATOM 619 ND1 HIS A 40 9.753 7.383 5.409 1.00 0.00 N flip ATOM 620 CD2 HIS A 40 7.805 7.068 6.345 1.00 0.00 C flip ATOM 621 CE1 HIS A 40 8.971 6.582 4.614 1.00 0.00 C flip ATOM 622 NE2 HIS A 40 7.801 6.407 5.201 1.00 0.00 N flip ATOM 0 H HIS A 40 10.957 9.730 6.070 1.00 0.00 H new ATOM 0 HA HIS A 40 8.350 10.377 7.266 1.00 0.00 H new ATOM 0 HB2 HIS A 40 10.338 8.233 8.079 1.00 0.00 H new ATOM 0 HB3 HIS A 40 8.638 8.328 8.492 1.00 0.00 H new ATOM 0 HD1 HIS A 40 10.706 7.687 5.210 1.00 0.00 H new ATOM 0 HD2 HIS A 40 6.983 7.111 7.044 1.00 0.00 H new ATOM 0 HE1 HIS A 40 9.265 6.163 3.663 1.00 0.00 H new ATOM 630 N ARG A 41 9.372 11.923 8.932 1.00 0.00 N ATOM 631 CA ARG A 41 9.846 12.738 10.045 1.00 0.00 C ATOM 632 C ARG A 41 9.763 11.966 11.358 1.00 0.00 C ATOM 633 O ARG A 41 10.503 12.245 12.302 1.00 0.00 O ATOM 634 CB ARG A 41 9.028 14.027 10.146 1.00 0.00 C ATOM 635 CG ARG A 41 9.588 15.027 11.143 1.00 0.00 C ATOM 636 CD ARG A 41 8.792 16.323 11.139 1.00 0.00 C ATOM 637 NE ARG A 41 8.737 16.935 12.464 1.00 0.00 N ATOM 638 CZ ARG A 41 9.792 17.464 13.074 1.00 0.00 C ATOM 639 NH1 ARG A 41 10.978 17.456 12.481 1.00 0.00 N ATOM 640 NH2 ARG A 41 9.662 18.003 14.280 1.00 0.00 N ATOM 0 H ARG A 41 8.558 12.302 8.448 1.00 0.00 H new ATOM 0 HA ARG A 41 10.889 12.992 9.858 1.00 0.00 H new ATOM 0 HB2 ARG A 41 8.980 14.495 9.163 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.006 13.777 10.430 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.573 14.593 12.143 1.00 0.00 H new ATOM 0 HG3 ARG A 41 10.630 15.238 10.902 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.242 17.023 10.435 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.779 16.125 10.789 1.00 0.00 H new ATOM 0 HE ARG A 41 7.839 16.957 12.948 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.082 17.043 11.554 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.786 17.863 12.952 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.751 18.011 14.739 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.473 18.409 14.747 1.00 0.00 H new ATOM 654 N ASP A 42 8.857 10.996 11.412 1.00 0.00 N ATOM 655 CA ASP A 42 8.678 10.182 12.609 1.00 0.00 C ATOM 656 C ASP A 42 9.922 9.346 12.890 1.00 0.00 C ATOM 657 O ASP A 42 10.224 9.031 14.041 1.00 0.00 O ATOM 658 CB ASP A 42 7.460 9.270 12.454 1.00 0.00 C ATOM 659 CG ASP A 42 6.413 9.515 13.523 1.00 0.00 C ATOM 660 OD1 ASP A 42 5.672 10.514 13.411 1.00 0.00 O ATOM 661 OD2 ASP A 42 6.335 8.708 14.472 1.00 0.00 O ATOM 0 H ASP A 42 8.235 10.754 10.641 1.00 0.00 H new ATOM 0 HA ASP A 42 8.515 10.853 13.453 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.015 9.427 11.471 1.00 0.00 H new ATOM 0 HB3 ASP A 42 7.781 8.229 12.496 1.00 0.00 H new ATOM 666 N PHE A 43 10.640 8.989 11.830 1.00 0.00 N ATOM 667 CA PHE A 43 11.851 8.188 11.962 1.00 0.00 C ATOM 668 C PHE A 43 12.805 8.806 12.980 1.00 0.00 C ATOM 669 O PHE A 43 12.988 10.022 13.038 1.00 0.00 O ATOM 670 CB PHE A 43 12.550 8.054 10.608 1.00 0.00 C ATOM 671 CG PHE A 43 13.043 6.665 10.322 1.00 0.00 C ATOM 672 CD1 PHE A 43 12.159 5.663 9.957 1.00 0.00 C ATOM 673 CD2 PHE A 43 14.392 6.360 10.418 1.00 0.00 C ATOM 674 CE1 PHE A 43 12.610 4.383 9.694 1.00 0.00 C ATOM 675 CE2 PHE A 43 14.849 5.082 10.156 1.00 0.00 C ATOM 676 CZ PHE A 43 13.956 4.093 9.792 1.00 0.00 C ATOM 0 H PHE A 43 10.404 9.242 10.870 1.00 0.00 H new ATOM 0 HA PHE A 43 11.564 7.197 12.315 1.00 0.00 H new ATOM 0 HB2 PHE A 43 11.859 8.355 9.820 1.00 0.00 H new ATOM 0 HB3 PHE A 43 13.393 8.744 10.574 1.00 0.00 H new ATOM 0 HD1 PHE A 43 11.105 5.884 9.877 1.00 0.00 H new ATOM 0 HD2 PHE A 43 15.094 7.130 10.701 1.00 0.00 H new ATOM 0 HE1 PHE A 43 11.910 3.611 9.412 1.00 0.00 H new ATOM 0 HE2 PHE A 43 15.902 4.857 10.236 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.310 3.094 9.584 1.00 0.00 H new ATOM 686 N PRO A 44 13.427 7.950 13.804 1.00 0.00 N ATOM 687 CA PRO A 44 14.372 8.389 14.835 1.00 0.00 C ATOM 688 C PRO A 44 15.674 8.917 14.242 1.00 0.00 C ATOM 689 O PRO A 44 15.780 9.114 13.031 1.00 0.00 O ATOM 690 CB PRO A 44 14.631 7.115 15.644 1.00 0.00 C ATOM 691 CG PRO A 44 14.357 6.001 14.694 1.00 0.00 C ATOM 692 CD PRO A 44 13.257 6.487 13.791 1.00 0.00 C ATOM 0 HA PRO A 44 13.975 9.214 15.427 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.657 7.080 16.010 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.980 7.061 16.516 1.00 0.00 H new ATOM 0 HG2 PRO A 44 15.249 5.749 14.121 1.00 0.00 H new ATOM 0 HG3 PRO A 44 14.055 5.099 15.227 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.354 6.080 12.784 1.00 0.00 H new ATOM 0 HD3 PRO A 44 12.274 6.193 14.160 1.00 0.00 H new ATOM 700 N ASP A 45 16.661 9.143 15.101 1.00 0.00 N ATOM 701 CA ASP A 45 17.957 9.647 14.661 1.00 0.00 C ATOM 702 C ASP A 45 18.934 8.500 14.423 1.00 0.00 C ATOM 703 O ASP A 45 20.100 8.573 14.809 1.00 0.00 O ATOM 704 CB ASP A 45 18.531 10.614 15.698 1.00 0.00 C ATOM 705 CG ASP A 45 19.747 11.359 15.184 1.00 0.00 C ATOM 706 OD1 ASP A 45 20.072 11.211 13.987 1.00 0.00 O ATOM 707 OD2 ASP A 45 20.372 12.092 15.978 1.00 0.00 O ATOM 0 H ASP A 45 16.589 8.985 16.106 1.00 0.00 H new ATOM 0 HA ASP A 45 17.812 10.178 13.720 1.00 0.00 H new ATOM 0 HB2 ASP A 45 17.763 11.332 15.985 1.00 0.00 H new ATOM 0 HB3 ASP A 45 18.801 10.060 16.597 1.00 0.00 H new ATOM 712 N VAL A 46 18.449 7.440 13.784 1.00 0.00 N ATOM 713 CA VAL A 46 19.278 6.276 13.494 1.00 0.00 C ATOM 714 C VAL A 46 19.167 5.874 12.028 1.00 0.00 C ATOM 715 O VAL A 46 18.228 6.267 11.336 1.00 0.00 O ATOM 716 CB VAL A 46 18.888 5.075 14.375 1.00 0.00 C ATOM 717 CG1 VAL A 46 18.915 5.460 15.847 1.00 0.00 C ATOM 718 CG2 VAL A 46 17.518 4.546 13.979 1.00 0.00 C ATOM 0 H VAL A 46 17.486 7.363 13.457 1.00 0.00 H new ATOM 0 HA VAL A 46 20.308 6.559 13.714 1.00 0.00 H new ATOM 0 HB VAL A 46 19.618 4.281 14.219 1.00 0.00 H new ATOM 0 HG11 VAL A 46 18.637 4.598 16.454 1.00 0.00 H new ATOM 0 HG12 VAL A 46 19.919 5.786 16.119 1.00 0.00 H new ATOM 0 HG13 VAL A 46 18.209 6.271 16.024 1.00 0.00 H new ATOM 0 HG21 VAL A 46 17.259 3.697 14.612 1.00 0.00 H new ATOM 0 HG22 VAL A 46 16.774 5.333 14.104 1.00 0.00 H new ATOM 0 HG23 VAL A 46 17.538 4.228 12.937 1.00 0.00 H new ATOM 728 N ILE A 47 20.132 5.089 11.561 1.00 0.00 N ATOM 729 CA ILE A 47 20.142 4.632 10.177 1.00 0.00 C ATOM 730 C ILE A 47 20.875 3.302 10.042 1.00 0.00 C ATOM 731 O ILE A 47 21.456 3.005 8.998 1.00 0.00 O ATOM 732 CB ILE A 47 20.803 5.667 9.247 1.00 0.00 C ATOM 733 CG1 ILE A 47 22.135 6.136 9.836 1.00 0.00 C ATOM 734 CG2 ILE A 47 19.872 6.849 9.021 1.00 0.00 C ATOM 735 CD1 ILE A 47 23.090 6.693 8.804 1.00 0.00 C ATOM 0 H ILE A 47 20.917 4.756 12.121 1.00 0.00 H new ATOM 0 HA ILE A 47 19.101 4.502 9.880 1.00 0.00 H new ATOM 0 HB ILE A 47 20.998 5.195 8.284 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.941 6.900 10.589 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.612 5.299 10.346 1.00 0.00 H new ATOM 0 HG21 ILE A 47 20.354 7.571 8.362 1.00 0.00 H new ATOM 0 HG22 ILE A 47 18.946 6.501 8.563 1.00 0.00 H new ATOM 0 HG23 ILE A 47 19.648 7.323 9.976 1.00 0.00 H new ATOM 0 HD11 ILE A 47 24.013 7.006 9.293 1.00 0.00 H new ATOM 0 HD12 ILE A 47 23.314 5.925 8.064 1.00 0.00 H new ATOM 0 HD13 ILE A 47 22.633 7.550 8.310 1.00 0.00 H new ATOM 747 N SER A 48 20.841 2.504 11.104 1.00 0.00 N ATOM 748 CA SER A 48 21.504 1.205 11.105 1.00 0.00 C ATOM 749 C SER A 48 20.787 0.230 12.034 1.00 0.00 C ATOM 750 O SER A 48 20.786 0.402 13.252 1.00 0.00 O ATOM 751 CB SER A 48 22.965 1.355 11.535 1.00 0.00 C ATOM 752 OG SER A 48 23.627 2.338 10.758 1.00 0.00 O ATOM 0 H SER A 48 20.362 2.734 11.975 1.00 0.00 H new ATOM 0 HA SER A 48 21.470 0.806 10.091 1.00 0.00 H new ATOM 0 HB2 SER A 48 23.011 1.629 12.589 1.00 0.00 H new ATOM 0 HB3 SER A 48 23.478 0.399 11.431 1.00 0.00 H new ATOM 0 HG SER A 48 24.558 2.416 11.053 1.00 0.00 H new ATOM 758 N GLY A 49 20.176 -0.795 11.448 1.00 0.00 N ATOM 759 CA GLY A 49 19.463 -1.783 12.236 1.00 0.00 C ATOM 760 C GLY A 49 18.423 -2.531 11.425 1.00 0.00 C ATOM 761 O GLY A 49 18.585 -2.722 10.221 1.00 0.00 O ATOM 0 H GLY A 49 20.162 -0.959 10.441 1.00 0.00 H new ATOM 0 HA2 GLY A 49 20.176 -2.495 12.652 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.977 -1.290 13.078 1.00 0.00 H new ATOM 765 N ALA A 50 17.353 -2.958 12.088 1.00 0.00 N ATOM 766 CA ALA A 50 16.282 -3.689 11.421 1.00 0.00 C ATOM 767 C ALA A 50 15.029 -2.830 11.291 1.00 0.00 C ATOM 768 O ALA A 50 14.461 -2.388 12.291 1.00 0.00 O ATOM 769 CB ALA A 50 15.969 -4.972 12.177 1.00 0.00 C ATOM 0 H ALA A 50 17.205 -2.810 13.086 1.00 0.00 H new ATOM 0 HA ALA A 50 16.621 -3.945 10.417 1.00 0.00 H new ATOM 0 HB1 ALA A 50 15.168 -5.508 11.668 1.00 0.00 H new ATOM 0 HB2 ALA A 50 16.859 -5.600 12.213 1.00 0.00 H new ATOM 0 HB3 ALA A 50 15.655 -4.729 13.192 1.00 0.00 H new ATOM 775 N TYR A 51 14.603 -2.596 10.055 1.00 0.00 N ATOM 776 CA TYR A 51 13.419 -1.787 9.795 1.00 0.00 C ATOM 777 C TYR A 51 12.170 -2.660 9.712 1.00 0.00 C ATOM 778 O TYR A 51 12.101 -3.588 8.906 1.00 0.00 O ATOM 779 CB TYR A 51 13.590 -0.998 8.496 1.00 0.00 C ATOM 780 CG TYR A 51 12.334 -0.283 8.052 1.00 0.00 C ATOM 781 CD1 TYR A 51 11.885 0.852 8.716 1.00 0.00 C ATOM 782 CD2 TYR A 51 11.595 -0.743 6.969 1.00 0.00 C ATOM 783 CE1 TYR A 51 10.738 1.508 8.314 1.00 0.00 C ATOM 784 CE2 TYR A 51 10.447 -0.093 6.559 1.00 0.00 C ATOM 785 CZ TYR A 51 10.022 1.032 7.235 1.00 0.00 C ATOM 786 OH TYR A 51 8.879 1.682 6.831 1.00 0.00 O ATOM 0 H TYR A 51 15.060 -2.955 9.217 1.00 0.00 H new ATOM 0 HA TYR A 51 13.298 -1.089 10.623 1.00 0.00 H new ATOM 0 HB2 TYR A 51 14.387 -0.266 8.627 1.00 0.00 H new ATOM 0 HB3 TYR A 51 13.909 -1.679 7.707 1.00 0.00 H new ATOM 0 HD1 TYR A 51 12.443 1.228 9.561 1.00 0.00 H new ATOM 0 HD2 TYR A 51 11.924 -1.624 6.438 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.403 2.389 8.842 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.885 -0.463 5.714 1.00 0.00 H new ATOM 0 HH TYR A 51 8.496 1.219 6.057 1.00 0.00 H new ATOM 796 N ILE A 52 11.186 -2.354 10.551 1.00 0.00 N ATOM 797 CA ILE A 52 9.939 -3.109 10.573 1.00 0.00 C ATOM 798 C ILE A 52 8.937 -2.543 9.573 1.00 0.00 C ATOM 799 O ILE A 52 8.541 -1.380 9.666 1.00 0.00 O ATOM 800 CB ILE A 52 9.305 -3.107 11.976 1.00 0.00 C ATOM 801 CG1 ILE A 52 10.272 -3.708 12.998 1.00 0.00 C ATOM 802 CG2 ILE A 52 7.992 -3.877 11.964 1.00 0.00 C ATOM 803 CD1 ILE A 52 9.724 -3.733 14.407 1.00 0.00 C ATOM 0 H ILE A 52 11.228 -1.589 11.224 1.00 0.00 H new ATOM 0 HA ILE A 52 10.185 -4.134 10.296 1.00 0.00 H new ATOM 0 HB ILE A 52 9.097 -2.076 12.264 1.00 0.00 H new ATOM 0 HG12 ILE A 52 10.521 -4.725 12.696 1.00 0.00 H new ATOM 0 HG13 ILE A 52 11.200 -3.136 12.988 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.555 -3.867 12.963 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.302 -3.409 11.262 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.177 -4.907 11.659 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.463 -4.172 15.077 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.501 -2.716 14.729 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.812 -4.329 14.432 1.00 0.00 H new ATOM 815 N ILE A 53 8.529 -3.372 8.618 1.00 0.00 N ATOM 816 CA ILE A 53 7.570 -2.955 7.603 1.00 0.00 C ATOM 817 C ILE A 53 6.143 -3.289 8.024 1.00 0.00 C ATOM 818 O ILE A 53 5.194 -2.619 7.620 1.00 0.00 O ATOM 819 CB ILE A 53 7.862 -3.620 6.245 1.00 0.00 C ATOM 820 CG1 ILE A 53 9.345 -3.485 5.895 1.00 0.00 C ATOM 821 CG2 ILE A 53 6.997 -3.004 5.156 1.00 0.00 C ATOM 822 CD1 ILE A 53 9.727 -4.175 4.604 1.00 0.00 C ATOM 0 H ILE A 53 8.848 -4.337 8.526 1.00 0.00 H new ATOM 0 HA ILE A 53 7.672 -1.875 7.498 1.00 0.00 H new ATOM 0 HB ILE A 53 7.620 -4.680 6.317 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.597 -2.427 5.821 1.00 0.00 H new ATOM 0 HG13 ILE A 53 9.941 -3.898 6.709 1.00 0.00 H new ATOM 0 HG21 ILE A 53 7.215 -3.485 4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.945 -3.148 5.402 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.210 -1.938 5.082 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.792 -4.038 4.419 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.506 -5.240 4.681 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.158 -3.746 3.780 1.00 0.00 H new ATOM 834 N GLU A 54 6.001 -4.330 8.839 1.00 0.00 N ATOM 835 CA GLU A 54 4.689 -4.753 9.316 1.00 0.00 C ATOM 836 C GLU A 54 4.817 -5.898 10.316 1.00 0.00 C ATOM 837 O GLU A 54 5.587 -6.836 10.108 1.00 0.00 O ATOM 838 CB GLU A 54 3.809 -5.183 8.140 1.00 0.00 C ATOM 839 CG GLU A 54 2.472 -5.768 8.563 1.00 0.00 C ATOM 840 CD GLU A 54 1.344 -5.379 7.627 1.00 0.00 C ATOM 841 OE1 GLU A 54 1.121 -6.104 6.634 1.00 0.00 O ATOM 842 OE2 GLU A 54 0.684 -4.352 7.887 1.00 0.00 O ATOM 0 H GLU A 54 6.777 -4.895 9.182 1.00 0.00 H new ATOM 0 HA GLU A 54 4.222 -3.906 9.819 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.632 -4.322 7.496 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.347 -5.921 7.545 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.550 -6.855 8.600 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.235 -5.431 9.572 1.00 0.00 H new ATOM 849 N VAL A 55 4.057 -5.814 11.403 1.00 0.00 N ATOM 850 CA VAL A 55 4.084 -6.842 12.436 1.00 0.00 C ATOM 851 C VAL A 55 2.763 -7.602 12.490 1.00 0.00 C ATOM 852 O VAL A 55 1.754 -7.079 12.963 1.00 0.00 O ATOM 853 CB VAL A 55 4.372 -6.237 13.823 1.00 0.00 C ATOM 854 CG1 VAL A 55 4.461 -7.332 14.876 1.00 0.00 C ATOM 855 CG2 VAL A 55 5.650 -5.413 13.790 1.00 0.00 C ATOM 0 H VAL A 55 3.415 -5.044 11.591 1.00 0.00 H new ATOM 0 HA VAL A 55 4.887 -7.532 12.175 1.00 0.00 H new ATOM 0 HB VAL A 55 3.547 -5.576 14.090 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.665 -6.885 15.849 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.517 -7.875 14.917 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.265 -8.021 14.617 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.838 -4.993 14.778 1.00 0.00 H new ATOM 0 HG22 VAL A 55 6.486 -6.050 13.501 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.543 -4.605 13.067 1.00 0.00 H new ATOM 865 N ILE A 56 2.778 -8.838 12.002 1.00 0.00 N ATOM 866 CA ILE A 56 1.582 -9.670 11.996 1.00 0.00 C ATOM 867 C ILE A 56 0.907 -9.674 13.363 1.00 0.00 C ATOM 868 O ILE A 56 1.554 -9.810 14.402 1.00 0.00 O ATOM 869 CB ILE A 56 1.907 -11.121 11.593 1.00 0.00 C ATOM 870 CG1 ILE A 56 2.629 -11.148 10.244 1.00 0.00 C ATOM 871 CG2 ILE A 56 0.635 -11.953 11.536 1.00 0.00 C ATOM 872 CD1 ILE A 56 1.883 -10.425 9.145 1.00 0.00 C ATOM 0 H ILE A 56 3.605 -9.285 11.606 1.00 0.00 H new ATOM 0 HA ILE A 56 0.903 -9.240 11.260 1.00 0.00 H new ATOM 0 HB ILE A 56 2.566 -11.553 12.346 1.00 0.00 H new ATOM 0 HG12 ILE A 56 3.615 -10.698 10.360 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.785 -12.185 9.945 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.882 -12.975 11.250 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.158 -11.955 12.516 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.047 -11.525 10.801 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.453 -10.485 8.218 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.907 -10.889 9.001 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.750 -9.379 9.422 1.00 0.00 H new ATOM 884 N PRO A 57 -0.425 -9.522 13.367 1.00 0.00 N ATOM 885 CA PRO A 57 -1.218 -9.507 14.600 1.00 0.00 C ATOM 886 C PRO A 57 -1.274 -10.875 15.270 1.00 0.00 C ATOM 887 O PRO A 57 -0.941 -11.891 14.658 1.00 0.00 O ATOM 888 CB PRO A 57 -2.610 -9.088 14.122 1.00 0.00 C ATOM 889 CG PRO A 57 -2.662 -9.506 12.693 1.00 0.00 C ATOM 890 CD PRO A 57 -1.262 -9.355 12.166 1.00 0.00 C ATOM 0 HA PRO A 57 -0.792 -8.841 15.350 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.392 -9.574 14.705 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.757 -8.013 14.226 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.005 -10.536 12.600 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.360 -8.886 12.130 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -1.034 -10.106 11.410 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.110 -8.380 11.703 1.00 0.00 H new ATOM 898 N ASP A 58 -1.696 -10.895 16.529 1.00 0.00 N ATOM 899 CA ASP A 58 -1.797 -12.140 17.282 1.00 0.00 C ATOM 900 C ASP A 58 -0.422 -12.774 17.471 1.00 0.00 C ATOM 901 O ASP A 58 -0.303 -13.990 17.626 1.00 0.00 O ATOM 902 CB ASP A 58 -2.729 -13.119 16.567 1.00 0.00 C ATOM 903 CG ASP A 58 -3.343 -14.132 17.514 1.00 0.00 C ATOM 904 OD1 ASP A 58 -4.359 -13.799 18.160 1.00 0.00 O ATOM 905 OD2 ASP A 58 -2.807 -15.256 17.611 1.00 0.00 O ATOM 0 H ASP A 58 -1.974 -10.063 17.050 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.209 -11.909 18.264 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.524 -12.562 16.070 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.173 -13.643 15.790 1.00 0.00 H new ATOM 910 N THR A 59 0.614 -11.942 17.458 1.00 0.00 N ATOM 911 CA THR A 59 1.981 -12.420 17.626 1.00 0.00 C ATOM 912 C THR A 59 2.615 -11.842 18.885 1.00 0.00 C ATOM 913 O THR A 59 2.211 -10.792 19.387 1.00 0.00 O ATOM 914 CB THR A 59 2.856 -12.058 16.411 1.00 0.00 C ATOM 915 OG1 THR A 59 3.008 -10.636 16.323 1.00 0.00 O ATOM 916 CG2 THR A 59 2.242 -12.587 15.124 1.00 0.00 C ATOM 0 H THR A 59 0.533 -10.933 17.333 1.00 0.00 H new ATOM 0 HA THR A 59 1.927 -13.505 17.715 1.00 0.00 H new ATOM 0 HB THR A 59 3.834 -12.521 16.545 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.735 -10.332 15.432 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.878 -12.319 14.280 1.00 0.00 H new ATOM 0 HG22 THR A 59 2.154 -13.672 15.182 1.00 0.00 H new ATOM 0 HG23 THR A 59 1.253 -12.150 14.986 1.00 0.00 H new ATOM 924 N PRO A 60 3.632 -12.540 19.411 1.00 0.00 N ATOM 925 CA PRO A 60 4.345 -12.113 20.619 1.00 0.00 C ATOM 926 C PRO A 60 5.193 -10.868 20.382 1.00 0.00 C ATOM 927 O PRO A 60 5.754 -10.301 21.319 1.00 0.00 O ATOM 928 CB PRO A 60 5.237 -13.313 20.947 1.00 0.00 C ATOM 929 CG PRO A 60 5.437 -14.004 19.643 1.00 0.00 C ATOM 930 CD PRO A 60 4.166 -13.799 18.866 1.00 0.00 C ATOM 0 HA PRO A 60 3.660 -11.841 21.422 1.00 0.00 H new ATOM 0 HB2 PRO A 60 6.187 -12.994 21.376 1.00 0.00 H new ATOM 0 HB3 PRO A 60 4.763 -13.971 21.675 1.00 0.00 H new ATOM 0 HG2 PRO A 60 6.292 -13.589 19.109 1.00 0.00 H new ATOM 0 HG3 PRO A 60 5.637 -15.065 19.790 1.00 0.00 H new ATOM 0 HD2 PRO A 60 4.357 -13.724 17.795 1.00 0.00 H new ATOM 0 HD3 PRO A 60 3.470 -14.626 19.009 1.00 0.00 H new ATOM 938 N ALA A 61 5.281 -10.448 19.125 1.00 0.00 N ATOM 939 CA ALA A 61 6.059 -9.268 18.766 1.00 0.00 C ATOM 940 C ALA A 61 5.175 -8.027 18.700 1.00 0.00 C ATOM 941 O ALA A 61 5.638 -6.912 18.933 1.00 0.00 O ATOM 942 CB ALA A 61 6.765 -9.486 17.436 1.00 0.00 C ATOM 0 H ALA A 61 4.823 -10.907 18.337 1.00 0.00 H new ATOM 0 HA ALA A 61 6.808 -9.108 19.541 1.00 0.00 H new ATOM 0 HB1 ALA A 61 7.342 -8.597 17.180 1.00 0.00 H new ATOM 0 HB2 ALA A 61 7.434 -10.343 17.515 1.00 0.00 H new ATOM 0 HB3 ALA A 61 6.025 -9.674 16.658 1.00 0.00 H new ATOM 948 N GLU A 62 3.900 -8.230 18.381 1.00 0.00 N ATOM 949 CA GLU A 62 2.953 -7.126 18.284 1.00 0.00 C ATOM 950 C GLU A 62 2.559 -6.624 19.670 1.00 0.00 C ATOM 951 O GLU A 62 2.379 -5.424 19.879 1.00 0.00 O ATOM 952 CB GLU A 62 1.704 -7.563 17.514 1.00 0.00 C ATOM 953 CG GLU A 62 0.437 -6.851 17.955 1.00 0.00 C ATOM 954 CD GLU A 62 -0.643 -6.867 16.891 1.00 0.00 C ATOM 955 OE1 GLU A 62 -0.409 -6.306 15.800 1.00 0.00 O ATOM 956 OE2 GLU A 62 -1.721 -7.442 17.149 1.00 0.00 O ATOM 0 H GLU A 62 3.500 -9.148 18.186 1.00 0.00 H new ATOM 0 HA GLU A 62 3.437 -6.311 17.745 1.00 0.00 H new ATOM 0 HB2 GLU A 62 1.861 -7.382 16.451 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.569 -8.637 17.638 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.056 -7.323 18.861 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.675 -5.818 18.210 1.00 0.00 H new ATOM 963 N ALA A 63 2.426 -7.550 20.613 1.00 0.00 N ATOM 964 CA ALA A 63 2.055 -7.202 21.979 1.00 0.00 C ATOM 965 C ALA A 63 3.278 -6.792 22.792 1.00 0.00 C ATOM 966 O ALA A 63 3.168 -6.046 23.764 1.00 0.00 O ATOM 967 CB ALA A 63 1.342 -8.369 22.646 1.00 0.00 C ATOM 0 H ALA A 63 2.570 -8.548 20.456 1.00 0.00 H new ATOM 0 HA ALA A 63 1.376 -6.351 21.939 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.071 -8.095 23.666 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.441 -8.614 22.084 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.003 -9.235 22.667 1.00 0.00 H new ATOM 973 N GLY A 64 4.445 -7.285 22.388 1.00 0.00 N ATOM 974 CA GLY A 64 5.672 -6.959 23.091 1.00 0.00 C ATOM 975 C GLY A 64 6.029 -5.490 22.983 1.00 0.00 C ATOM 976 O GLY A 64 6.560 -4.902 23.924 1.00 0.00 O ATOM 0 H GLY A 64 4.562 -7.904 21.586 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.567 -7.228 24.142 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.488 -7.559 22.688 1.00 0.00 H new ATOM 980 N GLY A 65 5.739 -4.895 21.830 1.00 0.00 N ATOM 981 CA GLY A 65 6.042 -3.491 21.622 1.00 0.00 C ATOM 982 C GLY A 65 6.483 -3.197 20.202 1.00 0.00 C ATOM 983 O GLY A 65 6.268 -2.096 19.693 1.00 0.00 O ATOM 0 H GLY A 65 5.299 -5.360 21.036 1.00 0.00 H new ATOM 0 HA2 GLY A 65 5.161 -2.894 21.856 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.827 -3.186 22.314 1.00 0.00 H new ATOM 987 N LEU A 66 7.104 -4.181 19.561 1.00 0.00 N ATOM 988 CA LEU A 66 7.579 -4.022 18.191 1.00 0.00 C ATOM 989 C LEU A 66 6.443 -3.593 17.268 1.00 0.00 C ATOM 990 O LEU A 66 5.580 -4.396 16.912 1.00 0.00 O ATOM 991 CB LEU A 66 8.193 -5.329 17.689 1.00 0.00 C ATOM 992 CG LEU A 66 9.437 -5.816 18.433 1.00 0.00 C ATOM 993 CD1 LEU A 66 10.015 -7.050 17.758 1.00 0.00 C ATOM 994 CD2 LEU A 66 10.480 -4.710 18.509 1.00 0.00 C ATOM 0 H LEU A 66 7.290 -5.098 19.968 1.00 0.00 H new ATOM 0 HA LEU A 66 8.342 -3.243 18.185 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.433 -6.109 17.744 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.449 -5.206 16.637 1.00 0.00 H new ATOM 0 HG LEU A 66 9.147 -6.085 19.448 1.00 0.00 H new ATOM 0 HD11 LEU A 66 10.900 -7.382 18.302 1.00 0.00 H new ATOM 0 HD12 LEU A 66 9.270 -7.846 17.756 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.290 -6.808 16.731 1.00 0.00 H new ATOM 0 HD21 LEU A 66 11.358 -5.074 19.042 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.766 -4.409 17.501 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.064 -3.853 19.039 1.00 0.00 H new ATOM 1006 N LYS A 67 6.451 -2.322 16.880 1.00 0.00 N ATOM 1007 CA LYS A 67 5.424 -1.786 15.994 1.00 0.00 C ATOM 1008 C LYS A 67 6.011 -1.434 14.631 1.00 0.00 C ATOM 1009 O LYS A 67 7.226 -1.477 14.439 1.00 0.00 O ATOM 1010 CB LYS A 67 4.780 -0.546 16.619 1.00 0.00 C ATOM 1011 CG LYS A 67 3.642 -0.867 17.572 1.00 0.00 C ATOM 1012 CD LYS A 67 2.293 -0.791 16.876 1.00 0.00 C ATOM 1013 CE LYS A 67 1.487 0.407 17.352 1.00 0.00 C ATOM 1014 NZ LYS A 67 1.199 0.337 18.812 1.00 0.00 N ATOM 0 H LYS A 67 7.157 -1.644 17.165 1.00 0.00 H new ATOM 0 HA LYS A 67 4.662 -2.553 15.855 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.543 0.019 17.155 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.406 0.099 15.824 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.783 -1.866 17.985 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.660 -0.170 18.410 1.00 0.00 H new ATOM 0 HD2 LYS A 67 2.442 -0.726 15.798 1.00 0.00 H new ATOM 0 HD3 LYS A 67 1.733 -1.706 17.066 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.035 1.323 17.133 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.549 0.457 16.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.306 0.830 19.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.119 -0.658 19.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 1.971 0.791 19.340 1.00 0.00 H new ATOM 1028 N GLU A 68 5.140 -1.086 13.689 1.00 0.00 N ATOM 1029 CA GLU A 68 5.574 -0.727 12.344 1.00 0.00 C ATOM 1030 C GLU A 68 6.410 0.549 12.364 1.00 0.00 C ATOM 1031 O GLU A 68 6.254 1.392 13.246 1.00 0.00 O ATOM 1032 CB GLU A 68 4.364 -0.543 11.426 1.00 0.00 C ATOM 1033 CG GLU A 68 4.695 -0.673 9.948 1.00 0.00 C ATOM 1034 CD GLU A 68 3.457 -0.704 9.074 1.00 0.00 C ATOM 1035 OE1 GLU A 68 2.785 -1.755 9.031 1.00 0.00 O ATOM 1036 OE2 GLU A 68 3.160 0.326 8.432 1.00 0.00 O ATOM 0 H GLU A 68 4.131 -1.045 13.832 1.00 0.00 H new ATOM 0 HA GLU A 68 6.192 -1.539 11.961 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.606 -1.282 11.686 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.928 0.439 11.607 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.327 0.162 9.646 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.272 -1.584 9.787 1.00 0.00 H new ATOM 1043 N ASN A 69 7.300 0.682 11.386 1.00 0.00 N ATOM 1044 CA ASN A 69 8.162 1.855 11.291 1.00 0.00 C ATOM 1045 C ASN A 69 9.087 1.948 12.501 1.00 0.00 C ATOM 1046 O ASN A 69 9.264 3.021 13.078 1.00 0.00 O ATOM 1047 CB ASN A 69 7.319 3.127 11.181 1.00 0.00 C ATOM 1048 CG ASN A 69 6.069 2.921 10.346 1.00 0.00 C ATOM 1049 OD1 ASN A 69 6.148 2.631 9.152 1.00 0.00 O ATOM 1050 ND2 ASN A 69 4.908 3.071 10.973 1.00 0.00 N ATOM 0 H ASN A 69 7.443 -0.008 10.648 1.00 0.00 H new ATOM 0 HA ASN A 69 8.773 1.754 10.394 1.00 0.00 H new ATOM 0 HB2 ASN A 69 7.035 3.459 12.180 1.00 0.00 H new ATOM 0 HB3 ASN A 69 7.921 3.922 10.740 1.00 0.00 H new ATOM 0 HD21 ASN A 69 4.033 2.945 10.464 1.00 0.00 H new ATOM 0 HD22 ASN A 69 4.891 3.312 11.964 1.00 0.00 H new ATOM 1057 N ASP A 70 9.675 0.818 12.878 1.00 0.00 N ATOM 1058 CA ASP A 70 10.583 0.772 14.018 1.00 0.00 C ATOM 1059 C ASP A 70 11.999 0.422 13.570 1.00 0.00 C ATOM 1060 O ASP A 70 12.204 -0.099 12.474 1.00 0.00 O ATOM 1061 CB ASP A 70 10.094 -0.248 15.047 1.00 0.00 C ATOM 1062 CG ASP A 70 9.283 0.393 16.156 1.00 0.00 C ATOM 1063 OD1 ASP A 70 9.761 1.385 16.744 1.00 0.00 O ATOM 1064 OD2 ASP A 70 8.169 -0.099 16.438 1.00 0.00 O ATOM 0 H ASP A 70 9.539 -0.078 12.411 1.00 0.00 H new ATOM 0 HA ASP A 70 10.600 1.760 14.478 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.487 -1.003 14.547 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.952 -0.764 15.479 1.00 0.00 H new ATOM 1069 N VAL A 71 12.974 0.713 14.426 1.00 0.00 N ATOM 1070 CA VAL A 71 14.371 0.430 14.119 1.00 0.00 C ATOM 1071 C VAL A 71 15.117 -0.058 15.356 1.00 0.00 C ATOM 1072 O VAL A 71 15.345 0.704 16.296 1.00 0.00 O ATOM 1073 CB VAL A 71 15.086 1.673 13.558 1.00 0.00 C ATOM 1074 CG1 VAL A 71 16.481 1.312 13.071 1.00 0.00 C ATOM 1075 CG2 VAL A 71 14.267 2.299 12.439 1.00 0.00 C ATOM 0 H VAL A 71 12.822 1.145 15.338 1.00 0.00 H new ATOM 0 HA VAL A 71 14.376 -0.354 13.362 1.00 0.00 H new ATOM 0 HB VAL A 71 15.185 2.406 14.359 1.00 0.00 H new ATOM 0 HG11 VAL A 71 16.971 2.203 12.678 1.00 0.00 H new ATOM 0 HG12 VAL A 71 17.064 0.913 13.901 1.00 0.00 H new ATOM 0 HG13 VAL A 71 16.409 0.561 12.284 1.00 0.00 H new ATOM 0 HG21 VAL A 71 14.787 3.176 12.054 1.00 0.00 H new ATOM 0 HG22 VAL A 71 14.135 1.574 11.636 1.00 0.00 H new ATOM 0 HG23 VAL A 71 13.291 2.596 12.824 1.00 0.00 H new ATOM 1085 N ILE A 72 15.496 -1.331 15.348 1.00 0.00 N ATOM 1086 CA ILE A 72 16.218 -1.920 16.469 1.00 0.00 C ATOM 1087 C ILE A 72 17.697 -1.548 16.426 1.00 0.00 C ATOM 1088 O ILE A 72 18.355 -1.695 15.396 1.00 0.00 O ATOM 1089 CB ILE A 72 16.087 -3.454 16.480 1.00 0.00 C ATOM 1090 CG1 ILE A 72 14.614 -3.861 16.556 1.00 0.00 C ATOM 1091 CG2 ILE A 72 16.866 -4.044 17.646 1.00 0.00 C ATOM 1092 CD1 ILE A 72 14.227 -4.919 15.546 1.00 0.00 C ATOM 0 H ILE A 72 15.315 -1.975 14.578 1.00 0.00 H new ATOM 0 HA ILE A 72 15.770 -1.519 17.378 1.00 0.00 H new ATOM 0 HB ILE A 72 16.506 -3.846 15.553 1.00 0.00 H new ATOM 0 HG12 ILE A 72 14.399 -4.231 17.558 1.00 0.00 H new ATOM 0 HG13 ILE A 72 13.993 -2.979 16.402 1.00 0.00 H new ATOM 0 HG21 ILE A 72 16.764 -5.129 17.640 1.00 0.00 H new ATOM 0 HG22 ILE A 72 17.919 -3.778 17.552 1.00 0.00 H new ATOM 0 HG23 ILE A 72 16.474 -3.648 18.583 1.00 0.00 H new ATOM 0 HD11 ILE A 72 13.170 -5.159 15.657 1.00 0.00 H new ATOM 0 HD12 ILE A 72 14.410 -4.545 14.539 1.00 0.00 H new ATOM 0 HD13 ILE A 72 14.822 -5.817 15.713 1.00 0.00 H new ATOM 1104 N ILE A 73 18.212 -1.067 17.553 1.00 0.00 N ATOM 1105 CA ILE A 73 19.614 -0.677 17.645 1.00 0.00 C ATOM 1106 C ILE A 73 20.417 -1.698 18.444 1.00 0.00 C ATOM 1107 O ILE A 73 21.628 -1.826 18.266 1.00 0.00 O ATOM 1108 CB ILE A 73 19.771 0.709 18.299 1.00 0.00 C ATOM 1109 CG1 ILE A 73 19.004 0.762 19.622 1.00 0.00 C ATOM 1110 CG2 ILE A 73 19.284 1.798 17.355 1.00 0.00 C ATOM 1111 CD1 ILE A 73 19.830 1.282 20.778 1.00 0.00 C ATOM 0 H ILE A 73 17.680 -0.938 18.414 1.00 0.00 H new ATOM 0 HA ILE A 73 19.997 -0.634 16.626 1.00 0.00 H new ATOM 0 HB ILE A 73 20.828 0.880 18.505 1.00 0.00 H new ATOM 0 HG12 ILE A 73 18.126 1.396 19.499 1.00 0.00 H new ATOM 0 HG13 ILE A 73 18.643 -0.238 19.864 1.00 0.00 H new ATOM 0 HG21 ILE A 73 19.401 2.771 17.831 1.00 0.00 H new ATOM 0 HG22 ILE A 73 19.869 1.771 16.436 1.00 0.00 H new ATOM 0 HG23 ILE A 73 18.232 1.633 17.121 1.00 0.00 H new ATOM 0 HD11 ILE A 73 19.223 1.292 21.683 1.00 0.00 H new ATOM 0 HD12 ILE A 73 20.694 0.635 20.928 1.00 0.00 H new ATOM 0 HD13 ILE A 73 20.169 2.294 20.557 1.00 0.00 H new ATOM 1123 N SER A 74 19.734 -2.423 19.324 1.00 0.00 N ATOM 1124 CA SER A 74 20.384 -3.432 20.152 1.00 0.00 C ATOM 1125 C SER A 74 19.373 -4.461 20.648 1.00 0.00 C ATOM 1126 O SER A 74 18.178 -4.180 20.737 1.00 0.00 O ATOM 1127 CB SER A 74 21.082 -2.772 21.342 1.00 0.00 C ATOM 1128 OG SER A 74 21.555 -3.743 22.259 1.00 0.00 O ATOM 0 H SER A 74 18.731 -2.330 19.482 1.00 0.00 H new ATOM 0 HA SER A 74 21.128 -3.944 19.541 1.00 0.00 H new ATOM 0 HB2 SER A 74 21.915 -2.165 20.988 1.00 0.00 H new ATOM 0 HB3 SER A 74 20.389 -2.098 21.846 1.00 0.00 H new ATOM 0 HG SER A 74 21.999 -3.295 23.010 1.00 0.00 H new ATOM 1134 N ILE A 75 19.862 -5.654 20.969 1.00 0.00 N ATOM 1135 CA ILE A 75 19.003 -6.726 21.456 1.00 0.00 C ATOM 1136 C ILE A 75 19.749 -7.626 22.436 1.00 0.00 C ATOM 1137 O ILE A 75 20.812 -8.157 22.120 1.00 0.00 O ATOM 1138 CB ILE A 75 18.461 -7.584 20.298 1.00 0.00 C ATOM 1139 CG1 ILE A 75 17.672 -6.716 19.316 1.00 0.00 C ATOM 1140 CG2 ILE A 75 17.591 -8.710 20.835 1.00 0.00 C ATOM 1141 CD1 ILE A 75 17.115 -7.487 18.140 1.00 0.00 C ATOM 0 H ILE A 75 20.849 -5.903 20.901 1.00 0.00 H new ATOM 0 HA ILE A 75 18.166 -6.251 21.968 1.00 0.00 H new ATOM 0 HB ILE A 75 19.305 -8.025 19.767 1.00 0.00 H new ATOM 0 HG12 ILE A 75 16.850 -6.236 19.847 1.00 0.00 H new ATOM 0 HG13 ILE A 75 18.319 -5.921 18.945 1.00 0.00 H new ATOM 0 HG21 ILE A 75 17.215 -9.307 20.004 1.00 0.00 H new ATOM 0 HG22 ILE A 75 18.182 -9.342 21.498 1.00 0.00 H new ATOM 0 HG23 ILE A 75 16.751 -8.289 21.388 1.00 0.00 H new ATOM 0 HD11 ILE A 75 16.568 -6.808 17.486 1.00 0.00 H new ATOM 0 HD12 ILE A 75 17.933 -7.945 17.585 1.00 0.00 H new ATOM 0 HD13 ILE A 75 16.442 -8.265 18.501 1.00 0.00 H new ATOM 1153 N ASN A 76 19.181 -7.794 23.626 1.00 0.00 N ATOM 1154 CA ASN A 76 19.792 -8.631 24.652 1.00 0.00 C ATOM 1155 C ASN A 76 21.141 -8.066 25.084 1.00 0.00 C ATOM 1156 O ASN A 76 22.023 -8.803 25.523 1.00 0.00 O ATOM 1157 CB ASN A 76 19.967 -10.061 24.136 1.00 0.00 C ATOM 1158 CG ASN A 76 19.394 -11.093 25.088 1.00 0.00 C ATOM 1159 OD1 ASN A 76 19.852 -11.229 26.222 1.00 0.00 O ATOM 1160 ND2 ASN A 76 18.387 -11.827 24.628 1.00 0.00 N ATOM 0 H ASN A 76 18.300 -7.362 23.903 1.00 0.00 H new ATOM 0 HA ASN A 76 19.129 -8.642 25.517 1.00 0.00 H new ATOM 0 HB2 ASN A 76 19.480 -10.156 23.165 1.00 0.00 H new ATOM 0 HB3 ASN A 76 21.027 -10.262 23.982 1.00 0.00 H new ATOM 0 HD21 ASN A 76 17.961 -12.538 25.222 1.00 0.00 H new ATOM 0 HD22 ASN A 76 18.040 -11.679 23.680 1.00 0.00 H new ATOM 1167 N GLY A 77 21.295 -6.751 24.955 1.00 0.00 N ATOM 1168 CA GLY A 77 22.539 -6.109 25.337 1.00 0.00 C ATOM 1169 C GLY A 77 23.597 -6.207 24.256 1.00 0.00 C ATOM 1170 O GLY A 77 24.790 -6.094 24.535 1.00 0.00 O ATOM 0 H GLY A 77 20.580 -6.120 24.593 1.00 0.00 H new ATOM 0 HA2 GLY A 77 22.349 -5.059 25.561 1.00 0.00 H new ATOM 0 HA3 GLY A 77 22.915 -6.567 26.252 1.00 0.00 H new ATOM 1174 N GLN A 78 23.159 -6.420 23.019 1.00 0.00 N ATOM 1175 CA GLN A 78 24.078 -6.536 21.893 1.00 0.00 C ATOM 1176 C GLN A 78 23.615 -5.677 20.721 1.00 0.00 C ATOM 1177 O GLN A 78 22.539 -5.897 20.165 1.00 0.00 O ATOM 1178 CB GLN A 78 24.199 -7.996 21.454 1.00 0.00 C ATOM 1179 CG GLN A 78 25.572 -8.596 21.707 1.00 0.00 C ATOM 1180 CD GLN A 78 26.669 -7.892 20.933 1.00 0.00 C ATOM 1181 OE1 GLN A 78 26.613 -7.793 19.707 1.00 0.00 O ATOM 1182 NE2 GLN A 78 27.674 -7.398 21.646 1.00 0.00 N ATOM 0 H GLN A 78 22.174 -6.516 22.772 1.00 0.00 H new ATOM 0 HA GLN A 78 25.056 -6.179 22.217 1.00 0.00 H new ATOM 0 HB2 GLN A 78 23.450 -8.588 21.980 1.00 0.00 H new ATOM 0 HB3 GLN A 78 23.971 -8.067 20.390 1.00 0.00 H new ATOM 0 HG2 GLN A 78 25.795 -8.546 22.773 1.00 0.00 H new ATOM 0 HG3 GLN A 78 25.559 -9.651 21.433 1.00 0.00 H new ATOM 0 HE21 GLN A 78 27.680 -7.503 22.661 1.00 0.00 H new ATOM 0 HE22 GLN A 78 28.441 -6.913 21.179 1.00 0.00 H new ATOM 1191 N SER A 79 24.434 -4.698 20.351 1.00 0.00 N ATOM 1192 CA SER A 79 24.106 -3.803 19.247 1.00 0.00 C ATOM 1193 C SER A 79 24.048 -4.566 17.928 1.00 0.00 C ATOM 1194 O SER A 79 24.948 -5.341 17.605 1.00 0.00 O ATOM 1195 CB SER A 79 25.137 -2.676 19.153 1.00 0.00 C ATOM 1196 OG SER A 79 24.665 -1.499 19.785 1.00 0.00 O ATOM 0 H SER A 79 25.329 -4.504 20.799 1.00 0.00 H new ATOM 0 HA SER A 79 23.124 -3.372 19.440 1.00 0.00 H new ATOM 0 HB2 SER A 79 26.070 -2.993 19.618 1.00 0.00 H new ATOM 0 HB3 SER A 79 25.358 -2.467 18.106 1.00 0.00 H new ATOM 0 HG SER A 79 25.343 -0.795 19.713 1.00 0.00 H new ATOM 1202 N VAL A 80 22.981 -4.341 17.168 1.00 0.00 N ATOM 1203 CA VAL A 80 22.804 -5.006 15.882 1.00 0.00 C ATOM 1204 C VAL A 80 22.875 -4.007 14.732 1.00 0.00 C ATOM 1205 O VAL A 80 22.617 -2.817 14.913 1.00 0.00 O ATOM 1206 CB VAL A 80 21.458 -5.752 15.817 1.00 0.00 C ATOM 1207 CG1 VAL A 80 21.338 -6.739 16.968 1.00 0.00 C ATOM 1208 CG2 VAL A 80 20.301 -4.765 15.827 1.00 0.00 C ATOM 0 H VAL A 80 22.226 -3.703 17.420 1.00 0.00 H new ATOM 0 HA VAL A 80 23.616 -5.727 15.784 1.00 0.00 H new ATOM 0 HB VAL A 80 21.418 -6.313 14.884 1.00 0.00 H new ATOM 0 HG11 VAL A 80 20.381 -7.256 16.905 1.00 0.00 H new ATOM 0 HG12 VAL A 80 22.148 -7.466 16.910 1.00 0.00 H new ATOM 0 HG13 VAL A 80 21.399 -6.203 17.915 1.00 0.00 H new ATOM 0 HG21 VAL A 80 19.358 -5.309 15.781 1.00 0.00 H new ATOM 0 HG22 VAL A 80 20.334 -4.174 16.743 1.00 0.00 H new ATOM 0 HG23 VAL A 80 20.380 -4.103 14.965 1.00 0.00 H new ATOM 1218 N VAL A 81 23.226 -4.500 13.549 1.00 0.00 N ATOM 1219 CA VAL A 81 23.329 -3.651 12.368 1.00 0.00 C ATOM 1220 C VAL A 81 22.782 -4.358 11.133 1.00 0.00 C ATOM 1221 O VAL A 81 23.166 -4.047 10.005 1.00 0.00 O ATOM 1222 CB VAL A 81 24.788 -3.233 12.103 1.00 0.00 C ATOM 1223 CG1 VAL A 81 25.233 -2.182 13.108 1.00 0.00 C ATOM 1224 CG2 VAL A 81 25.705 -4.446 12.146 1.00 0.00 C ATOM 0 H VAL A 81 23.444 -5.483 13.383 1.00 0.00 H new ATOM 0 HA VAL A 81 22.734 -2.760 12.566 1.00 0.00 H new ATOM 0 HB VAL A 81 24.848 -2.796 11.106 1.00 0.00 H new ATOM 0 HG11 VAL A 81 26.266 -1.899 12.905 1.00 0.00 H new ATOM 0 HG12 VAL A 81 24.593 -1.304 13.024 1.00 0.00 H new ATOM 0 HG13 VAL A 81 25.160 -2.589 14.117 1.00 0.00 H new ATOM 0 HG21 VAL A 81 26.732 -4.133 11.957 1.00 0.00 H new ATOM 0 HG22 VAL A 81 25.644 -4.914 13.129 1.00 0.00 H new ATOM 0 HG23 VAL A 81 25.398 -5.162 11.383 1.00 0.00 H new ATOM 1234 N SER A 82 21.883 -5.312 11.354 1.00 0.00 N ATOM 1235 CA SER A 82 21.285 -6.067 10.259 1.00 0.00 C ATOM 1236 C SER A 82 20.026 -6.792 10.723 1.00 0.00 C ATOM 1237 O SER A 82 20.012 -7.417 11.783 1.00 0.00 O ATOM 1238 CB SER A 82 22.290 -7.075 9.697 1.00 0.00 C ATOM 1239 OG SER A 82 22.986 -6.536 8.587 1.00 0.00 O ATOM 0 H SER A 82 21.553 -5.580 12.281 1.00 0.00 H new ATOM 0 HA SER A 82 21.009 -5.363 9.474 1.00 0.00 H new ATOM 0 HB2 SER A 82 23.001 -7.357 10.474 1.00 0.00 H new ATOM 0 HB3 SER A 82 21.769 -7.984 9.397 1.00 0.00 H new ATOM 0 HG SER A 82 23.215 -5.600 8.767 1.00 0.00 H new ATOM 1245 N ALA A 83 18.970 -6.703 9.921 1.00 0.00 N ATOM 1246 CA ALA A 83 17.706 -7.352 10.248 1.00 0.00 C ATOM 1247 C ALA A 83 17.890 -8.855 10.424 1.00 0.00 C ATOM 1248 O ALA A 83 17.097 -9.512 11.097 1.00 0.00 O ATOM 1249 CB ALA A 83 16.672 -7.067 9.168 1.00 0.00 C ATOM 0 H ALA A 83 18.965 -6.188 9.041 1.00 0.00 H new ATOM 0 HA ALA A 83 17.350 -6.943 11.194 1.00 0.00 H new ATOM 0 HB1 ALA A 83 15.733 -7.557 9.425 1.00 0.00 H new ATOM 0 HB2 ALA A 83 16.511 -5.992 9.093 1.00 0.00 H new ATOM 0 HB3 ALA A 83 17.030 -7.448 8.212 1.00 0.00 H new ATOM 1255 N ASN A 84 18.940 -9.394 9.813 1.00 0.00 N ATOM 1256 CA ASN A 84 19.227 -10.821 9.902 1.00 0.00 C ATOM 1257 C ASN A 84 19.830 -11.172 11.259 1.00 0.00 C ATOM 1258 O ASN A 84 19.722 -12.307 11.722 1.00 0.00 O ATOM 1259 CB ASN A 84 20.183 -11.241 8.783 1.00 0.00 C ATOM 1260 CG ASN A 84 19.463 -11.499 7.474 1.00 0.00 C ATOM 1261 OD1 ASN A 84 19.047 -10.566 6.786 1.00 0.00 O ATOM 1262 ND2 ASN A 84 19.311 -12.771 7.123 1.00 0.00 N ATOM 0 H ASN A 84 19.606 -8.864 9.251 1.00 0.00 H new ATOM 0 HA ASN A 84 18.287 -11.362 9.791 1.00 0.00 H new ATOM 0 HB2 ASN A 84 20.930 -10.461 8.636 1.00 0.00 H new ATOM 0 HB3 ASN A 84 20.717 -12.142 9.084 1.00 0.00 H new ATOM 0 HD21 ASN A 84 18.834 -13.006 6.253 1.00 0.00 H new ATOM 0 HD22 ASN A 84 19.672 -13.512 7.724 1.00 0.00 H new ATOM 1269 N ASP A 85 20.463 -10.189 11.890 1.00 0.00 N ATOM 1270 CA ASP A 85 21.081 -10.393 13.195 1.00 0.00 C ATOM 1271 C ASP A 85 20.029 -10.403 14.299 1.00 0.00 C ATOM 1272 O ASP A 85 20.061 -11.248 15.194 1.00 0.00 O ATOM 1273 CB ASP A 85 22.116 -9.300 13.469 1.00 0.00 C ATOM 1274 CG ASP A 85 23.529 -9.747 13.150 1.00 0.00 C ATOM 1275 OD1 ASP A 85 23.845 -9.900 11.952 1.00 0.00 O ATOM 1276 OD2 ASP A 85 24.318 -9.944 14.098 1.00 0.00 O ATOM 0 H ASP A 85 20.562 -9.244 11.519 1.00 0.00 H new ATOM 0 HA ASP A 85 21.581 -11.362 13.186 1.00 0.00 H new ATOM 0 HB2 ASP A 85 21.874 -8.418 12.876 1.00 0.00 H new ATOM 0 HB3 ASP A 85 22.059 -9.005 14.517 1.00 0.00 H new ATOM 1281 N VAL A 86 19.098 -9.457 14.231 1.00 0.00 N ATOM 1282 CA VAL A 86 18.035 -9.357 15.225 1.00 0.00 C ATOM 1283 C VAL A 86 17.156 -10.602 15.217 1.00 0.00 C ATOM 1284 O VAL A 86 16.527 -10.937 16.220 1.00 0.00 O ATOM 1285 CB VAL A 86 17.154 -8.117 14.982 1.00 0.00 C ATOM 1286 CG1 VAL A 86 17.973 -6.843 15.127 1.00 0.00 C ATOM 1287 CG2 VAL A 86 16.503 -8.188 13.609 1.00 0.00 C ATOM 0 H VAL A 86 19.058 -8.749 13.498 1.00 0.00 H new ATOM 0 HA VAL A 86 18.519 -9.264 16.197 1.00 0.00 H new ATOM 0 HB VAL A 86 16.365 -8.100 15.733 1.00 0.00 H new ATOM 0 HG11 VAL A 86 17.334 -5.978 14.952 1.00 0.00 H new ATOM 0 HG12 VAL A 86 18.388 -6.790 16.134 1.00 0.00 H new ATOM 0 HG13 VAL A 86 18.785 -6.848 14.400 1.00 0.00 H new ATOM 0 HG21 VAL A 86 15.884 -7.304 13.454 1.00 0.00 H new ATOM 0 HG22 VAL A 86 17.276 -8.229 12.842 1.00 0.00 H new ATOM 0 HG23 VAL A 86 15.882 -9.081 13.547 1.00 0.00 H new ATOM 1297 N SER A 87 17.117 -11.285 14.077 1.00 0.00 N ATOM 1298 CA SER A 87 16.311 -12.492 13.936 1.00 0.00 C ATOM 1299 C SER A 87 17.027 -13.696 14.539 1.00 0.00 C ATOM 1300 O SER A 87 16.393 -14.669 14.947 1.00 0.00 O ATOM 1301 CB SER A 87 16.001 -12.755 12.461 1.00 0.00 C ATOM 1302 OG SER A 87 17.092 -13.389 11.816 1.00 0.00 O ATOM 0 H SER A 87 17.634 -11.023 13.238 1.00 0.00 H new ATOM 0 HA SER A 87 15.376 -12.340 14.475 1.00 0.00 H new ATOM 0 HB2 SER A 87 15.112 -13.381 12.379 1.00 0.00 H new ATOM 0 HB3 SER A 87 15.775 -11.814 11.960 1.00 0.00 H new ATOM 0 HG SER A 87 17.898 -12.843 11.924 1.00 0.00 H new ATOM 1308 N ASP A 88 18.352 -13.623 14.593 1.00 0.00 N ATOM 1309 CA ASP A 88 19.156 -14.706 15.147 1.00 0.00 C ATOM 1310 C ASP A 88 18.906 -14.858 16.644 1.00 0.00 C ATOM 1311 O ASP A 88 18.901 -15.969 17.173 1.00 0.00 O ATOM 1312 CB ASP A 88 20.642 -14.450 14.889 1.00 0.00 C ATOM 1313 CG ASP A 88 21.324 -15.624 14.215 1.00 0.00 C ATOM 1314 OD1 ASP A 88 21.116 -15.812 12.999 1.00 0.00 O ATOM 1315 OD2 ASP A 88 22.065 -16.356 14.905 1.00 0.00 O ATOM 0 H ASP A 88 18.892 -12.825 14.260 1.00 0.00 H new ATOM 0 HA ASP A 88 18.863 -15.632 14.652 1.00 0.00 H new ATOM 0 HB2 ASP A 88 20.752 -13.563 14.265 1.00 0.00 H new ATOM 0 HB3 ASP A 88 21.141 -14.238 15.835 1.00 0.00 H new ATOM 1320 N VAL A 89 18.698 -13.733 17.321 1.00 0.00 N ATOM 1321 CA VAL A 89 18.446 -13.741 18.757 1.00 0.00 C ATOM 1322 C VAL A 89 17.122 -14.424 19.079 1.00 0.00 C ATOM 1323 O VAL A 89 16.927 -14.931 20.184 1.00 0.00 O ATOM 1324 CB VAL A 89 18.427 -12.312 19.331 1.00 0.00 C ATOM 1325 CG1 VAL A 89 18.234 -12.345 20.840 1.00 0.00 C ATOM 1326 CG2 VAL A 89 19.706 -11.574 18.965 1.00 0.00 C ATOM 0 H VAL A 89 18.699 -12.805 16.898 1.00 0.00 H new ATOM 0 HA VAL A 89 19.261 -14.299 19.218 1.00 0.00 H new ATOM 0 HB VAL A 89 17.586 -11.774 18.893 1.00 0.00 H new ATOM 0 HG11 VAL A 89 18.223 -11.326 21.228 1.00 0.00 H new ATOM 0 HG12 VAL A 89 17.288 -12.833 21.075 1.00 0.00 H new ATOM 0 HG13 VAL A 89 19.052 -12.899 21.299 1.00 0.00 H new ATOM 0 HG21 VAL A 89 19.676 -10.566 19.379 1.00 0.00 H new ATOM 0 HG22 VAL A 89 20.564 -12.108 19.374 1.00 0.00 H new ATOM 0 HG23 VAL A 89 19.796 -11.518 17.880 1.00 0.00 H new ATOM 1336 N ILE A 90 16.216 -14.434 18.108 1.00 0.00 N ATOM 1337 CA ILE A 90 14.911 -15.057 18.287 1.00 0.00 C ATOM 1338 C ILE A 90 15.045 -16.557 18.526 1.00 0.00 C ATOM 1339 O ILE A 90 14.398 -17.118 19.410 1.00 0.00 O ATOM 1340 CB ILE A 90 14.002 -14.822 17.067 1.00 0.00 C ATOM 1341 CG1 ILE A 90 13.945 -13.332 16.725 1.00 0.00 C ATOM 1342 CG2 ILE A 90 12.605 -15.363 17.334 1.00 0.00 C ATOM 1343 CD1 ILE A 90 13.105 -13.023 15.506 1.00 0.00 C ATOM 0 H ILE A 90 16.362 -14.017 17.188 1.00 0.00 H new ATOM 0 HA ILE A 90 14.458 -14.591 19.162 1.00 0.00 H new ATOM 0 HB ILE A 90 14.420 -15.356 16.214 1.00 0.00 H new ATOM 0 HG12 ILE A 90 13.545 -12.787 17.580 1.00 0.00 H new ATOM 0 HG13 ILE A 90 14.959 -12.967 16.560 1.00 0.00 H new ATOM 0 HG21 ILE A 90 11.975 -15.189 16.462 1.00 0.00 H new ATOM 0 HG22 ILE A 90 12.661 -16.433 17.533 1.00 0.00 H new ATOM 0 HG23 ILE A 90 12.177 -14.855 18.198 1.00 0.00 H new ATOM 0 HD11 ILE A 90 13.110 -11.948 15.323 1.00 0.00 H new ATOM 0 HD12 ILE A 90 13.517 -13.540 14.640 1.00 0.00 H new ATOM 0 HD13 ILE A 90 12.081 -13.357 15.675 1.00 0.00 H new ATOM 1355 N LYS A 91 15.892 -17.203 17.731 1.00 0.00 N ATOM 1356 CA LYS A 91 16.116 -18.639 17.856 1.00 0.00 C ATOM 1357 C LYS A 91 17.277 -18.928 18.802 1.00 0.00 C ATOM 1358 O LYS A 91 17.383 -20.023 19.354 1.00 0.00 O ATOM 1359 CB LYS A 91 16.396 -19.253 16.483 1.00 0.00 C ATOM 1360 CG LYS A 91 17.649 -18.710 15.818 1.00 0.00 C ATOM 1361 CD LYS A 91 18.881 -19.507 16.211 1.00 0.00 C ATOM 1362 CE LYS A 91 19.340 -20.416 15.082 1.00 0.00 C ATOM 1363 NZ LYS A 91 20.118 -21.581 15.589 1.00 0.00 N ATOM 0 H LYS A 91 16.435 -16.755 16.993 1.00 0.00 H new ATOM 0 HA LYS A 91 15.213 -19.088 18.270 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.491 -20.334 16.590 1.00 0.00 H new ATOM 0 HB3 LYS A 91 15.541 -19.071 15.832 1.00 0.00 H new ATOM 0 HG2 LYS A 91 17.528 -18.737 14.735 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.786 -17.665 16.097 1.00 0.00 H new ATOM 0 HD2 LYS A 91 19.687 -18.824 16.480 1.00 0.00 H new ATOM 0 HD3 LYS A 91 18.662 -20.106 17.095 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.472 -20.773 14.527 1.00 0.00 H new ATOM 0 HE3 LYS A 91 19.953 -19.846 14.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.413 -22.176 14.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 20.960 -21.242 16.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 19.525 -22.139 16.236 1.00 0.00 H new ATOM 1377 N ARG A 92 18.146 -17.939 18.984 1.00 0.00 N ATOM 1378 CA ARG A 92 19.300 -18.088 19.864 1.00 0.00 C ATOM 1379 C ARG A 92 18.873 -18.067 21.328 1.00 0.00 C ATOM 1380 O ARG A 92 19.119 -19.019 22.069 1.00 0.00 O ATOM 1381 CB ARG A 92 20.315 -16.974 19.601 1.00 0.00 C ATOM 1382 CG ARG A 92 21.648 -17.189 20.298 1.00 0.00 C ATOM 1383 CD ARG A 92 22.790 -17.283 19.298 1.00 0.00 C ATOM 1384 NE ARG A 92 23.897 -18.090 19.805 1.00 0.00 N ATOM 1385 CZ ARG A 92 25.000 -18.345 19.110 1.00 0.00 C ATOM 1386 NH1 ARG A 92 25.143 -17.857 17.886 1.00 0.00 N ATOM 1387 NH2 ARG A 92 25.963 -19.088 19.640 1.00 0.00 N ATOM 0 H ARG A 92 18.073 -17.026 18.534 1.00 0.00 H new ATOM 0 HA ARG A 92 19.765 -19.051 19.653 1.00 0.00 H new ATOM 0 HB2 ARG A 92 20.485 -16.894 18.527 1.00 0.00 H new ATOM 0 HB3 ARG A 92 19.892 -16.024 19.928 1.00 0.00 H new ATOM 0 HG2 ARG A 92 21.835 -16.367 20.990 1.00 0.00 H new ATOM 0 HG3 ARG A 92 21.606 -18.102 20.892 1.00 0.00 H new ATOM 0 HD2 ARG A 92 22.422 -17.716 18.368 1.00 0.00 H new ATOM 0 HD3 ARG A 92 23.150 -16.281 19.063 1.00 0.00 H new ATOM 0 HE ARG A 92 23.819 -18.479 20.745 1.00 0.00 H new ATOM 0 HH11 ARG A 92 24.405 -17.284 17.476 1.00 0.00 H new ATOM 0 HH12 ARG A 92 25.991 -18.054 17.354 1.00 0.00 H new ATOM 0 HH21 ARG A 92 25.857 -19.464 20.582 1.00 0.00 H new ATOM 0 HH22 ARG A 92 26.809 -19.283 19.105 1.00 0.00 H new ATOM 1401 N GLU A 93 18.233 -16.976 21.738 1.00 0.00 N ATOM 1402 CA GLU A 93 17.774 -16.832 23.115 1.00 0.00 C ATOM 1403 C GLU A 93 16.260 -16.998 23.203 1.00 0.00 C ATOM 1404 O GLU A 93 15.533 -16.674 22.264 1.00 0.00 O ATOM 1405 CB GLU A 93 18.182 -15.467 23.672 1.00 0.00 C ATOM 1406 CG GLU A 93 19.620 -15.087 23.359 1.00 0.00 C ATOM 1407 CD GLU A 93 20.625 -15.990 24.048 1.00 0.00 C ATOM 1408 OE1 GLU A 93 20.197 -16.867 24.827 1.00 0.00 O ATOM 1409 OE2 GLU A 93 21.838 -15.819 23.808 1.00 0.00 O ATOM 0 H GLU A 93 18.021 -16.180 21.137 1.00 0.00 H new ATOM 0 HA GLU A 93 18.243 -17.614 23.712 1.00 0.00 H new ATOM 0 HB2 GLU A 93 17.517 -14.705 23.266 1.00 0.00 H new ATOM 0 HB3 GLU A 93 18.043 -15.469 24.753 1.00 0.00 H new ATOM 0 HG2 GLU A 93 19.777 -15.131 22.281 1.00 0.00 H new ATOM 0 HG3 GLU A 93 19.794 -14.055 23.665 1.00 0.00 H new ATOM 1416 N SER A 94 15.791 -17.505 24.339 1.00 0.00 N ATOM 1417 CA SER A 94 14.364 -17.719 24.550 1.00 0.00 C ATOM 1418 C SER A 94 13.622 -16.388 24.633 1.00 0.00 C ATOM 1419 O SER A 94 12.480 -16.272 24.188 1.00 0.00 O ATOM 1420 CB SER A 94 14.131 -18.526 25.828 1.00 0.00 C ATOM 1421 OG SER A 94 14.866 -19.738 25.807 1.00 0.00 O ATOM 0 H SER A 94 16.379 -17.775 25.128 1.00 0.00 H new ATOM 0 HA SER A 94 13.976 -18.280 23.699 1.00 0.00 H new ATOM 0 HB2 SER A 94 14.425 -17.934 26.695 1.00 0.00 H new ATOM 0 HB3 SER A 94 13.068 -18.743 25.936 1.00 0.00 H new ATOM 0 HG SER A 94 14.701 -20.235 26.636 1.00 0.00 H new ATOM 1427 N THR A 95 14.281 -15.385 25.205 1.00 0.00 N ATOM 1428 CA THR A 95 13.685 -14.063 25.349 1.00 0.00 C ATOM 1429 C THR A 95 14.181 -13.116 24.262 1.00 0.00 C ATOM 1430 O THR A 95 15.065 -13.463 23.478 1.00 0.00 O ATOM 1431 CB THR A 95 13.998 -13.452 26.728 1.00 0.00 C ATOM 1432 OG1 THR A 95 14.311 -14.490 27.663 1.00 0.00 O ATOM 1433 CG2 THR A 95 12.818 -12.640 27.240 1.00 0.00 C ATOM 0 H THR A 95 15.228 -15.463 25.576 1.00 0.00 H new ATOM 0 HA THR A 95 12.607 -14.190 25.253 1.00 0.00 H new ATOM 0 HB THR A 95 14.856 -12.788 26.621 1.00 0.00 H new ATOM 0 HG1 THR A 95 14.511 -14.094 28.537 1.00 0.00 H new ATOM 0 HG21 THR A 95 13.062 -12.218 28.215 1.00 0.00 H new ATOM 0 HG22 THR A 95 12.600 -11.833 26.540 1.00 0.00 H new ATOM 0 HG23 THR A 95 11.945 -13.286 27.332 1.00 0.00 H new ATOM 1441 N LEU A 96 13.607 -11.919 24.220 1.00 0.00 N ATOM 1442 CA LEU A 96 13.991 -10.920 23.228 1.00 0.00 C ATOM 1443 C LEU A 96 13.982 -9.520 23.834 1.00 0.00 C ATOM 1444 O LEU A 96 12.957 -8.839 23.830 1.00 0.00 O ATOM 1445 CB LEU A 96 13.046 -10.975 22.027 1.00 0.00 C ATOM 1446 CG LEU A 96 13.088 -12.259 21.198 1.00 0.00 C ATOM 1447 CD1 LEU A 96 12.078 -12.196 20.063 1.00 0.00 C ATOM 1448 CD2 LEU A 96 14.490 -12.497 20.654 1.00 0.00 C ATOM 0 H LEU A 96 12.874 -11.616 24.861 1.00 0.00 H new ATOM 0 HA LEU A 96 15.004 -11.145 22.895 1.00 0.00 H new ATOM 0 HB2 LEU A 96 12.027 -10.831 22.385 1.00 0.00 H new ATOM 0 HB3 LEU A 96 13.275 -10.135 21.371 1.00 0.00 H new ATOM 0 HG LEU A 96 12.824 -13.095 21.846 1.00 0.00 H new ATOM 0 HD11 LEU A 96 12.123 -13.119 19.484 1.00 0.00 H new ATOM 0 HD12 LEU A 96 11.076 -12.074 20.474 1.00 0.00 H new ATOM 0 HD13 LEU A 96 12.310 -11.350 19.416 1.00 0.00 H new ATOM 0 HD21 LEU A 96 14.501 -13.415 20.067 1.00 0.00 H new ATOM 0 HD22 LEU A 96 14.782 -11.658 20.022 1.00 0.00 H new ATOM 0 HD23 LEU A 96 15.191 -12.588 21.483 1.00 0.00 H new ATOM 1460 N ASN A 97 15.130 -9.096 24.351 1.00 0.00 N ATOM 1461 CA ASN A 97 15.255 -7.776 24.959 1.00 0.00 C ATOM 1462 C ASN A 97 15.707 -6.744 23.930 1.00 0.00 C ATOM 1463 O ASN A 97 16.854 -6.299 23.945 1.00 0.00 O ATOM 1464 CB ASN A 97 16.246 -7.820 26.124 1.00 0.00 C ATOM 1465 CG ASN A 97 15.746 -8.669 27.276 1.00 0.00 C ATOM 1466 OD1 ASN A 97 15.293 -8.147 28.295 1.00 0.00 O ATOM 1467 ND2 ASN A 97 15.827 -9.985 27.120 1.00 0.00 N ATOM 0 H ASN A 97 15.988 -9.648 24.361 1.00 0.00 H new ATOM 0 HA ASN A 97 14.275 -7.482 25.336 1.00 0.00 H new ATOM 0 HB2 ASN A 97 17.199 -8.215 25.772 1.00 0.00 H new ATOM 0 HB3 ASN A 97 16.432 -6.806 26.478 1.00 0.00 H new ATOM 0 HD21 ASN A 97 15.507 -10.607 27.862 1.00 0.00 H new ATOM 0 HD22 ASN A 97 16.210 -10.374 26.258 1.00 0.00 H new ATOM 1474 N MET A 98 14.796 -6.368 23.038 1.00 0.00 N ATOM 1475 CA MET A 98 15.101 -5.387 22.003 1.00 0.00 C ATOM 1476 C MET A 98 15.033 -3.969 22.561 1.00 0.00 C ATOM 1477 O MET A 98 14.409 -3.727 23.594 1.00 0.00 O ATOM 1478 CB MET A 98 14.129 -5.533 20.830 1.00 0.00 C ATOM 1479 CG MET A 98 13.857 -6.977 20.442 1.00 0.00 C ATOM 1480 SD MET A 98 13.494 -7.168 18.687 1.00 0.00 S ATOM 1481 CE MET A 98 12.823 -8.829 18.658 1.00 0.00 C ATOM 0 H MET A 98 13.842 -6.727 23.011 1.00 0.00 H new ATOM 0 HA MET A 98 16.116 -5.571 21.650 1.00 0.00 H new ATOM 0 HB2 MET A 98 13.186 -5.051 21.088 1.00 0.00 H new ATOM 0 HB3 MET A 98 14.532 -5.003 19.967 1.00 0.00 H new ATOM 0 HG2 MET A 98 14.723 -7.587 20.698 1.00 0.00 H new ATOM 0 HG3 MET A 98 13.017 -7.354 21.026 1.00 0.00 H new ATOM 0 HE1 MET A 98 12.373 -9.023 17.684 1.00 0.00 H new ATOM 0 HE2 MET A 98 13.623 -9.548 18.837 1.00 0.00 H new ATOM 0 HE3 MET A 98 12.065 -8.929 19.435 1.00 0.00 H new ATOM 1491 N VAL A 99 15.679 -3.034 21.871 1.00 0.00 N ATOM 1492 CA VAL A 99 15.691 -1.640 22.298 1.00 0.00 C ATOM 1493 C VAL A 99 15.483 -0.702 21.115 1.00 0.00 C ATOM 1494 O VAL A 99 16.426 -0.377 20.393 1.00 0.00 O ATOM 1495 CB VAL A 99 17.014 -1.279 22.999 1.00 0.00 C ATOM 1496 CG1 VAL A 99 16.966 0.145 23.531 1.00 0.00 C ATOM 1497 CG2 VAL A 99 17.310 -2.266 24.119 1.00 0.00 C ATOM 0 H VAL A 99 16.201 -3.217 21.014 1.00 0.00 H new ATOM 0 HA VAL A 99 14.870 -1.518 23.004 1.00 0.00 H new ATOM 0 HB VAL A 99 17.821 -1.341 22.268 1.00 0.00 H new ATOM 0 HG11 VAL A 99 17.909 0.382 24.023 1.00 0.00 H new ATOM 0 HG12 VAL A 99 16.804 0.837 22.704 1.00 0.00 H new ATOM 0 HG13 VAL A 99 16.150 0.238 24.247 1.00 0.00 H new ATOM 0 HG21 VAL A 99 18.248 -1.996 24.603 1.00 0.00 H new ATOM 0 HG22 VAL A 99 16.503 -2.239 24.851 1.00 0.00 H new ATOM 0 HG23 VAL A 99 17.391 -3.271 23.706 1.00 0.00 H new ATOM 1507 N VAL A 100 14.241 -0.268 20.922 1.00 0.00 N ATOM 1508 CA VAL A 100 13.909 0.635 19.827 1.00 0.00 C ATOM 1509 C VAL A 100 13.721 2.062 20.329 1.00 0.00 C ATOM 1510 O VAL A 100 13.349 2.281 21.482 1.00 0.00 O ATOM 1511 CB VAL A 100 12.628 0.187 19.098 1.00 0.00 C ATOM 1512 CG1 VAL A 100 11.417 0.336 20.007 1.00 0.00 C ATOM 1513 CG2 VAL A 100 12.441 0.978 17.813 1.00 0.00 C ATOM 0 H VAL A 100 13.449 -0.527 21.510 1.00 0.00 H new ATOM 0 HA VAL A 100 14.745 0.605 19.129 1.00 0.00 H new ATOM 0 HB VAL A 100 12.729 -0.866 18.837 1.00 0.00 H new ATOM 0 HG11 VAL A 100 10.521 0.015 19.475 1.00 0.00 H new ATOM 0 HG12 VAL A 100 11.552 -0.280 20.896 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.309 1.380 20.302 1.00 0.00 H new ATOM 0 HG21 VAL A 100 11.531 0.648 17.312 1.00 0.00 H new ATOM 0 HG22 VAL A 100 12.361 2.039 18.047 1.00 0.00 H new ATOM 0 HG23 VAL A 100 13.296 0.814 17.157 1.00 0.00 H new ATOM 1523 N ARG A 101 13.981 3.030 19.456 1.00 0.00 N ATOM 1524 CA ARG A 101 13.842 4.437 19.811 1.00 0.00 C ATOM 1525 C ARG A 101 12.469 4.966 19.408 1.00 0.00 C ATOM 1526 O ARG A 101 12.129 5.000 18.226 1.00 0.00 O ATOM 1527 CB ARG A 101 14.938 5.266 19.138 1.00 0.00 C ATOM 1528 CG ARG A 101 16.317 5.058 19.743 1.00 0.00 C ATOM 1529 CD ARG A 101 16.437 5.734 21.100 1.00 0.00 C ATOM 1530 NE ARG A 101 17.819 6.086 21.416 1.00 0.00 N ATOM 1531 CZ ARG A 101 18.157 7.001 22.317 1.00 0.00 C ATOM 1532 NH1 ARG A 101 17.217 7.652 22.990 1.00 0.00 N ATOM 1533 NH2 ARG A 101 19.436 7.267 22.548 1.00 0.00 N ATOM 0 H ARG A 101 14.289 2.865 18.498 1.00 0.00 H new ATOM 0 HA ARG A 101 13.943 4.525 20.893 1.00 0.00 H new ATOM 0 HB2 ARG A 101 14.974 5.014 18.078 1.00 0.00 H new ATOM 0 HB3 ARG A 101 14.676 6.322 19.206 1.00 0.00 H new ATOM 0 HG2 ARG A 101 16.512 3.991 19.848 1.00 0.00 H new ATOM 0 HG3 ARG A 101 17.075 5.456 19.069 1.00 0.00 H new ATOM 0 HD2 ARG A 101 15.822 6.634 21.112 1.00 0.00 H new ATOM 0 HD3 ARG A 101 16.047 5.070 21.871 1.00 0.00 H new ATOM 0 HE ARG A 101 18.566 5.602 20.917 1.00 0.00 H new ATOM 0 HH11 ARG A 101 16.233 7.450 22.816 1.00 0.00 H new ATOM 0 HH12 ARG A 101 17.479 8.354 23.682 1.00 0.00 H new ATOM 0 HH21 ARG A 101 20.162 6.768 22.033 1.00 0.00 H new ATOM 0 HH22 ARG A 101 19.694 7.970 23.240 1.00 0.00 H new ATOM 1547 N ARG A 102 11.685 5.378 20.399 1.00 0.00 N ATOM 1548 CA ARG A 102 10.348 5.903 20.148 1.00 0.00 C ATOM 1549 C ARG A 102 10.135 7.222 20.886 1.00 0.00 C ATOM 1550 O ARG A 102 9.861 7.236 22.085 1.00 0.00 O ATOM 1551 CB ARG A 102 9.289 4.888 20.579 1.00 0.00 C ATOM 1552 CG ARG A 102 8.503 4.298 19.419 1.00 0.00 C ATOM 1553 CD ARG A 102 7.708 3.076 19.849 1.00 0.00 C ATOM 1554 NE ARG A 102 8.276 1.839 19.320 1.00 0.00 N ATOM 1555 CZ ARG A 102 7.917 0.629 19.733 1.00 0.00 C ATOM 1556 NH1 ARG A 102 6.995 0.493 20.677 1.00 0.00 N ATOM 1557 NH2 ARG A 102 8.480 -0.449 19.203 1.00 0.00 N ATOM 0 H ARG A 102 11.953 5.358 21.383 1.00 0.00 H new ATOM 0 HA ARG A 102 10.251 6.085 19.078 1.00 0.00 H new ATOM 0 HB2 ARG A 102 9.774 4.080 21.127 1.00 0.00 H new ATOM 0 HB3 ARG A 102 8.596 5.369 21.269 1.00 0.00 H new ATOM 0 HG2 ARG A 102 7.825 5.051 19.017 1.00 0.00 H new ATOM 0 HG3 ARG A 102 9.188 4.024 18.616 1.00 0.00 H new ATOM 0 HD2 ARG A 102 7.681 3.026 20.938 1.00 0.00 H new ATOM 0 HD3 ARG A 102 6.677 3.176 19.509 1.00 0.00 H new ATOM 0 HE ARG A 102 8.988 1.908 18.593 1.00 0.00 H new ATOM 0 HH11 ARG A 102 6.560 1.319 21.088 1.00 0.00 H new ATOM 0 HH12 ARG A 102 6.721 -0.438 20.992 1.00 0.00 H new ATOM 0 HH21 ARG A 102 9.190 -0.349 18.477 1.00 0.00 H new ATOM 0 HH22 ARG A 102 8.203 -1.378 19.521 1.00 0.00 H new ATOM 1571 N GLY A 103 10.264 8.328 20.160 1.00 0.00 N ATOM 1572 CA GLY A 103 10.082 9.636 20.762 1.00 0.00 C ATOM 1573 C GLY A 103 11.355 10.166 21.392 1.00 0.00 C ATOM 1574 O GLY A 103 11.336 10.675 22.512 1.00 0.00 O ATOM 0 H GLY A 103 10.491 8.342 19.166 1.00 0.00 H new ATOM 0 HA2 GLY A 103 9.737 10.337 20.002 1.00 0.00 H new ATOM 0 HA3 GLY A 103 9.302 9.578 21.521 1.00 0.00 H new ATOM 1578 N ASN A 104 12.465 10.045 20.671 1.00 0.00 N ATOM 1579 CA ASN A 104 13.754 10.514 21.167 1.00 0.00 C ATOM 1580 C ASN A 104 14.117 9.821 22.477 1.00 0.00 C ATOM 1581 O ASN A 104 14.862 10.365 23.291 1.00 0.00 O ATOM 1582 CB ASN A 104 13.725 12.030 21.369 1.00 0.00 C ATOM 1583 CG ASN A 104 14.883 12.727 20.681 1.00 0.00 C ATOM 1584 OD1 ASN A 104 15.843 13.145 21.328 1.00 0.00 O ATOM 1585 ND2 ASN A 104 14.796 12.856 19.362 1.00 0.00 N ATOM 0 H ASN A 104 12.498 9.626 19.742 1.00 0.00 H new ATOM 0 HA ASN A 104 14.513 10.268 20.424 1.00 0.00 H new ATOM 0 HB2 ASN A 104 12.785 12.427 20.985 1.00 0.00 H new ATOM 0 HB3 ASN A 104 13.753 12.252 22.436 1.00 0.00 H new ATOM 0 HD21 ASN A 104 15.544 13.317 18.844 1.00 0.00 H new ATOM 0 HD22 ASN A 104 13.981 12.494 18.867 1.00 0.00 H new ATOM 1592 N GLU A 105 13.585 8.619 22.672 1.00 0.00 N ATOM 1593 CA GLU A 105 13.854 7.852 23.883 1.00 0.00 C ATOM 1594 C GLU A 105 13.890 6.357 23.584 1.00 0.00 C ATOM 1595 O GLU A 105 13.154 5.866 22.728 1.00 0.00 O ATOM 1596 CB GLU A 105 12.791 8.146 24.944 1.00 0.00 C ATOM 1597 CG GLU A 105 11.372 7.869 24.477 1.00 0.00 C ATOM 1598 CD GLU A 105 10.346 8.079 25.574 1.00 0.00 C ATOM 1599 OE1 GLU A 105 10.672 8.761 26.568 1.00 0.00 O ATOM 1600 OE2 GLU A 105 9.217 7.561 25.438 1.00 0.00 O ATOM 0 H GLU A 105 12.965 8.155 22.008 1.00 0.00 H new ATOM 0 HA GLU A 105 14.831 8.151 24.263 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.997 7.544 25.829 1.00 0.00 H new ATOM 0 HB3 GLU A 105 12.868 9.191 25.244 1.00 0.00 H new ATOM 0 HG2 GLU A 105 11.137 8.520 23.635 1.00 0.00 H new ATOM 0 HG3 GLU A 105 11.306 6.843 24.115 1.00 0.00 H new ATOM 1607 N ASP A 106 14.753 5.638 24.294 1.00 0.00 N ATOM 1608 CA ASP A 106 14.886 4.198 24.106 1.00 0.00 C ATOM 1609 C ASP A 106 13.807 3.447 24.880 1.00 0.00 C ATOM 1610 O ASP A 106 13.554 3.735 26.050 1.00 0.00 O ATOM 1611 CB ASP A 106 16.272 3.730 24.554 1.00 0.00 C ATOM 1612 CG ASP A 106 16.425 3.736 26.062 1.00 0.00 C ATOM 1613 OD1 ASP A 106 15.919 2.798 26.713 1.00 0.00 O ATOM 1614 OD2 ASP A 106 17.050 4.678 26.592 1.00 0.00 O ATOM 0 H ASP A 106 15.371 6.029 25.005 1.00 0.00 H new ATOM 0 HA ASP A 106 14.763 3.982 23.045 1.00 0.00 H new ATOM 0 HB2 ASP A 106 16.452 2.723 24.177 1.00 0.00 H new ATOM 0 HB3 ASP A 106 17.031 4.376 24.112 1.00 0.00 H new ATOM 1619 N ILE A 107 13.174 2.484 24.218 1.00 0.00 N ATOM 1620 CA ILE A 107 12.123 1.692 24.844 1.00 0.00 C ATOM 1621 C ILE A 107 12.401 0.199 24.702 1.00 0.00 C ATOM 1622 O ILE A 107 12.501 -0.321 23.592 1.00 0.00 O ATOM 1623 CB ILE A 107 10.744 2.005 24.234 1.00 0.00 C ATOM 1624 CG1 ILE A 107 10.469 3.510 24.287 1.00 0.00 C ATOM 1625 CG2 ILE A 107 9.654 1.237 24.967 1.00 0.00 C ATOM 1626 CD1 ILE A 107 9.138 3.902 23.684 1.00 0.00 C ATOM 0 H ILE A 107 13.371 2.234 23.249 1.00 0.00 H new ATOM 0 HA ILE A 107 12.114 1.959 25.901 1.00 0.00 H new ATOM 0 HB ILE A 107 10.745 1.690 23.190 1.00 0.00 H new ATOM 0 HG12 ILE A 107 10.500 3.841 25.325 1.00 0.00 H new ATOM 0 HG13 ILE A 107 11.266 4.036 23.761 1.00 0.00 H new ATOM 0 HG21 ILE A 107 8.685 1.469 24.524 1.00 0.00 H new ATOM 0 HG22 ILE A 107 9.844 0.167 24.884 1.00 0.00 H new ATOM 0 HG23 ILE A 107 9.651 1.524 26.018 1.00 0.00 H new ATOM 0 HD11 ILE A 107 9.010 4.982 23.756 1.00 0.00 H new ATOM 0 HD12 ILE A 107 9.111 3.602 22.636 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.333 3.404 24.225 1.00 0.00 H new ATOM 1638 N MET A 108 12.524 -0.485 25.835 1.00 0.00 N ATOM 1639 CA MET A 108 12.787 -1.919 25.838 1.00 0.00 C ATOM 1640 C MET A 108 11.564 -2.697 25.364 1.00 0.00 C ATOM 1641 O MET A 108 10.445 -2.446 25.814 1.00 0.00 O ATOM 1642 CB MET A 108 13.190 -2.383 27.238 1.00 0.00 C ATOM 1643 CG MET A 108 14.642 -2.090 27.581 1.00 0.00 C ATOM 1644 SD MET A 108 15.317 -3.245 28.790 1.00 0.00 S ATOM 1645 CE MET A 108 16.675 -3.953 27.860 1.00 0.00 C ATOM 0 H MET A 108 12.446 -0.069 26.763 1.00 0.00 H new ATOM 0 HA MET A 108 13.609 -2.113 25.149 1.00 0.00 H new ATOM 0 HB2 MET A 108 12.547 -1.898 27.972 1.00 0.00 H new ATOM 0 HB3 MET A 108 13.015 -3.456 27.321 1.00 0.00 H new ATOM 0 HG2 MET A 108 15.241 -2.131 26.672 1.00 0.00 H new ATOM 0 HG3 MET A 108 14.722 -1.075 27.970 1.00 0.00 H new ATOM 0 HE1 MET A 108 17.193 -4.689 28.475 1.00 0.00 H new ATOM 0 HE2 MET A 108 16.288 -4.437 26.963 1.00 0.00 H new ATOM 0 HE3 MET A 108 17.371 -3.164 27.575 1.00 0.00 H new ATOM 1655 N ILE A 109 11.784 -3.641 24.455 1.00 0.00 N ATOM 1656 CA ILE A 109 10.699 -4.455 23.922 1.00 0.00 C ATOM 1657 C ILE A 109 10.931 -5.935 24.208 1.00 0.00 C ATOM 1658 O ILE A 109 11.673 -6.609 23.492 1.00 0.00 O ATOM 1659 CB ILE A 109 10.539 -4.256 22.403 1.00 0.00 C ATOM 1660 CG1 ILE A 109 10.409 -2.768 22.073 1.00 0.00 C ATOM 1661 CG2 ILE A 109 9.329 -5.025 21.893 1.00 0.00 C ATOM 1662 CD1 ILE A 109 9.171 -2.125 22.659 1.00 0.00 C ATOM 0 H ILE A 109 12.704 -3.861 24.072 1.00 0.00 H new ATOM 0 HA ILE A 109 9.786 -4.129 24.421 1.00 0.00 H new ATOM 0 HB ILE A 109 11.428 -4.643 21.905 1.00 0.00 H new ATOM 0 HG12 ILE A 109 11.290 -2.244 22.442 1.00 0.00 H new ATOM 0 HG13 ILE A 109 10.395 -2.644 20.990 1.00 0.00 H new ATOM 0 HG21 ILE A 109 9.229 -4.875 20.818 1.00 0.00 H new ATOM 0 HG22 ILE A 109 9.459 -6.087 22.100 1.00 0.00 H new ATOM 0 HG23 ILE A 109 8.431 -4.665 22.395 1.00 0.00 H new ATOM 0 HD11 ILE A 109 9.144 -1.070 22.385 1.00 0.00 H new ATOM 0 HD12 ILE A 109 8.283 -2.624 22.270 1.00 0.00 H new ATOM 0 HD13 ILE A 109 9.192 -2.217 23.745 1.00 0.00 H new ATOM 1674 N THR A 110 10.289 -6.437 25.258 1.00 0.00 N ATOM 1675 CA THR A 110 10.425 -7.837 25.639 1.00 0.00 C ATOM 1676 C THR A 110 9.437 -8.713 24.876 1.00 0.00 C ATOM 1677 O THR A 110 8.223 -8.561 25.013 1.00 0.00 O ATOM 1678 CB THR A 110 10.204 -8.032 27.151 1.00 0.00 C ATOM 1679 OG1 THR A 110 10.935 -7.043 27.884 1.00 0.00 O ATOM 1680 CG2 THR A 110 10.644 -9.422 27.588 1.00 0.00 C ATOM 0 H THR A 110 9.669 -5.894 25.860 1.00 0.00 H new ATOM 0 HA THR A 110 11.442 -8.136 25.386 1.00 0.00 H new ATOM 0 HB THR A 110 9.139 -7.924 27.357 1.00 0.00 H new ATOM 0 HG1 THR A 110 10.788 -7.173 28.844 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.478 -9.536 28.659 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.066 -10.173 27.049 1.00 0.00 H new ATOM 0 HG23 THR A 110 11.704 -9.554 27.369 1.00 0.00 H new ATOM 1688 N VAL A 111 9.965 -9.630 24.073 1.00 0.00 N ATOM 1689 CA VAL A 111 9.129 -10.532 23.289 1.00 0.00 C ATOM 1690 C VAL A 111 9.480 -11.989 23.569 1.00 0.00 C ATOM 1691 O VAL A 111 10.646 -12.331 23.763 1.00 0.00 O ATOM 1692 CB VAL A 111 9.274 -10.262 21.779 1.00 0.00 C ATOM 1693 CG1 VAL A 111 8.462 -11.266 20.976 1.00 0.00 C ATOM 1694 CG2 VAL A 111 8.853 -8.838 21.450 1.00 0.00 C ATOM 0 H VAL A 111 10.968 -9.768 23.948 1.00 0.00 H new ATOM 0 HA VAL A 111 8.097 -10.346 23.587 1.00 0.00 H new ATOM 0 HB VAL A 111 10.323 -10.379 21.506 1.00 0.00 H new ATOM 0 HG11 VAL A 111 8.577 -11.059 19.912 1.00 0.00 H new ATOM 0 HG12 VAL A 111 8.816 -12.274 21.190 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.410 -11.185 21.250 1.00 0.00 H new ATOM 0 HG21 VAL A 111 8.962 -8.665 20.379 1.00 0.00 H new ATOM 0 HG22 VAL A 111 7.812 -8.691 21.738 1.00 0.00 H new ATOM 0 HG23 VAL A 111 9.483 -8.137 21.997 1.00 0.00 H new ATOM 1704 N ILE A 112 8.462 -12.843 23.588 1.00 0.00 N ATOM 1705 CA ILE A 112 8.663 -14.264 23.843 1.00 0.00 C ATOM 1706 C ILE A 112 8.340 -15.096 22.606 1.00 0.00 C ATOM 1707 O ILE A 112 7.218 -15.566 22.418 1.00 0.00 O ATOM 1708 CB ILE A 112 7.795 -14.754 25.017 1.00 0.00 C ATOM 1709 CG1 ILE A 112 7.996 -13.854 26.238 1.00 0.00 C ATOM 1710 CG2 ILE A 112 8.129 -16.199 25.356 1.00 0.00 C ATOM 1711 CD1 ILE A 112 9.436 -13.765 26.692 1.00 0.00 C ATOM 0 H ILE A 112 7.490 -12.576 23.430 1.00 0.00 H new ATOM 0 HA ILE A 112 9.714 -14.392 24.100 1.00 0.00 H new ATOM 0 HB ILE A 112 6.747 -14.704 24.721 1.00 0.00 H new ATOM 0 HG12 ILE A 112 7.634 -12.853 26.005 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.387 -14.229 27.060 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.507 -16.531 26.188 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.940 -16.830 24.487 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.180 -16.273 25.636 1.00 0.00 H new ATOM 0 HD11 ILE A 112 9.504 -13.111 27.561 1.00 0.00 H new ATOM 0 HD12 ILE A 112 9.796 -14.759 26.957 1.00 0.00 H new ATOM 0 HD13 ILE A 112 10.048 -13.361 25.885 1.00 0.00 H new ATOM 1723 N PRO A 113 9.348 -15.284 21.741 1.00 0.00 N ATOM 1724 CA PRO A 113 9.197 -16.062 20.507 1.00 0.00 C ATOM 1725 C PRO A 113 9.021 -17.552 20.779 1.00 0.00 C ATOM 1726 O PRO A 113 9.774 -18.143 21.552 1.00 0.00 O ATOM 1727 CB PRO A 113 10.510 -15.805 19.763 1.00 0.00 C ATOM 1728 CG PRO A 113 11.492 -15.469 20.832 1.00 0.00 C ATOM 1729 CD PRO A 113 10.712 -14.754 21.900 1.00 0.00 C ATOM 0 HA PRO A 113 8.309 -15.769 19.946 1.00 0.00 H new ATOM 0 HB2 PRO A 113 10.824 -16.683 19.199 1.00 0.00 H new ATOM 0 HB3 PRO A 113 10.407 -14.988 19.049 1.00 0.00 H new ATOM 0 HG2 PRO A 113 11.961 -16.370 21.228 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.291 -14.838 20.444 1.00 0.00 H new ATOM 0 HD2 PRO A 113 11.110 -14.960 22.894 1.00 0.00 H new ATOM 0 HD3 PRO A 113 10.741 -13.673 21.763 1.00 0.00 H new ATOM 1737 N GLU A 114 8.024 -18.152 20.138 1.00 0.00 N ATOM 1738 CA GLU A 114 7.751 -19.574 20.312 1.00 0.00 C ATOM 1739 C GLU A 114 8.518 -20.405 19.288 1.00 0.00 C ATOM 1740 O GLU A 114 8.664 -20.005 18.133 1.00 0.00 O ATOM 1741 CB GLU A 114 6.250 -19.847 20.185 1.00 0.00 C ATOM 1742 CG GLU A 114 5.387 -18.886 20.985 1.00 0.00 C ATOM 1743 CD GLU A 114 4.203 -19.572 21.639 1.00 0.00 C ATOM 1744 OE1 GLU A 114 3.733 -20.593 21.095 1.00 0.00 O ATOM 1745 OE2 GLU A 114 3.747 -19.086 22.695 1.00 0.00 O ATOM 0 H GLU A 114 7.392 -17.676 19.494 1.00 0.00 H new ATOM 0 HA GLU A 114 8.083 -19.862 21.310 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.966 -19.788 19.134 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.045 -20.866 20.514 1.00 0.00 H new ATOM 0 HG2 GLU A 114 5.996 -18.410 21.753 1.00 0.00 H new ATOM 0 HG3 GLU A 114 5.026 -18.094 20.328 1.00 0.00 H new