USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 567 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 73 THR OG1 : rot 11:sc= 0.864 USER MOD Set 1.2: A 84 THR OG1 : rot 69:sc= 0.642 USER MOD Set 2.1: A 46 THR OG1 : rot -3:sc= 0.0116! USER MOD Set 2.2: A 82 HIS : no HD1:sc= -0.321 X(o=-0.31,f=-0.059) USER MOD Set 3.1: A 28 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 180:sc= -0.0929 (180deg=-0.0929) USER MOD Single : A 26 LYS NZ :NH3+ 158:sc= -0.0866 (180deg=-0.481) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot -25:sc= 0.0675 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 39 LYS NZ :NH3+ 179:sc= 0.104 (180deg=-0.0536) USER MOD Single : A 42 THR OG1 : rot -72:sc= 1.26 USER MOD Single : A 44 SER OG : rot 180:sc= -0.0425 USER MOD Single : A 45 THR OG1 : rot 2:sc= 0.378 USER MOD Single : A 49 MET CE :methyl 164:sc= -2.69! (180deg=-3.72!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 177:sc= 1.19 (180deg=1.16) USER MOD Single : A 65 LYS NZ :NH3+ -169:sc= -0.0136 (180deg=-0.146) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0558 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -128:sc= 1.3 (180deg=-0.204) USER MOD Single : A 90 LYS NZ :NH3+ -179:sc= 0.656 (180deg=0.565) USER MOD Single : A 91 LYS NZ :NH3+ 179:sc= 1.19 (180deg=1.11) USER MOD ----------------------------------------------------------------- ATOM 328 N ALA A 22 4.116 -7.041 3.081 1.00 0.00 N ATOM 329 CA ALA A 22 4.430 -5.753 2.457 1.00 0.00 C ATOM 330 C ALA A 22 4.188 -4.591 3.416 1.00 0.00 C ATOM 331 O ALA A 22 3.043 -4.282 3.756 1.00 0.00 O ATOM 332 CB ALA A 22 3.605 -5.565 1.193 1.00 0.00 C ATOM 0 HA ALA A 22 5.489 -5.760 2.199 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.848 -4.604 0.739 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.830 -6.366 0.489 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.544 -5.590 1.444 1.00 0.00 H new ATOM 338 N GLU A 23 5.271 -3.969 3.858 1.00 0.00 N ATOM 339 CA GLU A 23 5.193 -2.870 4.805 1.00 0.00 C ATOM 340 C GLU A 23 6.269 -1.829 4.488 1.00 0.00 C ATOM 341 O GLU A 23 7.174 -2.087 3.692 1.00 0.00 O ATOM 342 CB GLU A 23 5.365 -3.411 6.231 1.00 0.00 C ATOM 343 CG GLU A 23 4.972 -2.432 7.329 1.00 0.00 C ATOM 344 CD GLU A 23 5.094 -3.037 8.713 1.00 0.00 C ATOM 345 OE1 GLU A 23 4.137 -3.708 9.158 1.00 0.00 O ATOM 346 OE2 GLU A 23 6.148 -2.847 9.363 1.00 0.00 O ATOM 0 H GLU A 23 6.220 -4.210 3.573 1.00 0.00 H new ATOM 0 HA GLU A 23 4.218 -2.389 4.726 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.767 -4.316 6.337 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.407 -3.699 6.374 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.604 -1.546 7.266 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.945 -2.103 7.168 1.00 0.00 H new ATOM 353 N ILE A 24 6.156 -0.657 5.093 1.00 0.00 N ATOM 354 CA ILE A 24 7.130 0.408 4.898 1.00 0.00 C ATOM 355 C ILE A 24 8.265 0.276 5.911 1.00 0.00 C ATOM 356 O ILE A 24 8.020 0.094 7.105 1.00 0.00 O ATOM 357 CB ILE A 24 6.476 1.801 5.065 1.00 0.00 C ATOM 358 CG1 ILE A 24 5.443 2.060 3.965 1.00 0.00 C ATOM 359 CG2 ILE A 24 7.529 2.907 5.073 1.00 0.00 C ATOM 360 CD1 ILE A 24 6.046 2.310 2.598 1.00 0.00 C ATOM 0 H ILE A 24 5.394 -0.417 5.728 1.00 0.00 H new ATOM 0 HA ILE A 24 7.520 0.316 3.884 1.00 0.00 H new ATOM 0 HB ILE A 24 5.964 1.809 6.027 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.771 1.204 3.903 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.837 2.921 4.246 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.040 3.874 5.192 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.220 2.746 5.901 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.080 2.892 4.132 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.249 2.485 1.875 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.695 3.185 2.641 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.629 1.441 2.293 1.00 0.00 H new ATOM 372 N MET A 25 9.496 0.363 5.434 1.00 0.00 N ATOM 373 CA MET A 25 10.656 0.351 6.317 1.00 0.00 C ATOM 374 C MET A 25 11.249 1.750 6.432 1.00 0.00 C ATOM 375 O MET A 25 11.087 2.577 5.533 1.00 0.00 O ATOM 376 CB MET A 25 11.720 -0.631 5.817 1.00 0.00 C ATOM 377 CG MET A 25 11.597 -2.028 6.409 1.00 0.00 C ATOM 378 SD MET A 25 10.006 -2.805 6.073 1.00 0.00 S ATOM 379 CE MET A 25 10.220 -4.378 6.901 1.00 0.00 C ATOM 0 H MET A 25 9.720 0.443 4.442 1.00 0.00 H new ATOM 0 HA MET A 25 10.325 0.023 7.302 1.00 0.00 H new ATOM 0 HB2 MET A 25 11.655 -0.700 4.731 1.00 0.00 H new ATOM 0 HB3 MET A 25 12.707 -0.233 6.052 1.00 0.00 H new ATOM 0 HG2 MET A 25 12.393 -2.656 6.009 1.00 0.00 H new ATOM 0 HG3 MET A 25 11.746 -1.973 7.487 1.00 0.00 H new ATOM 0 HE1 MET A 25 9.317 -4.977 6.784 1.00 0.00 H new ATOM 0 HE2 MET A 25 11.066 -4.908 6.463 1.00 0.00 H new ATOM 0 HE3 MET A 25 10.408 -4.208 7.961 1.00 0.00 H new ATOM 389 N LYS A 26 11.911 2.010 7.554 1.00 0.00 N ATOM 390 CA LYS A 26 12.572 3.287 7.794 1.00 0.00 C ATOM 391 C LYS A 26 13.820 3.385 6.931 1.00 0.00 C ATOM 392 O LYS A 26 14.329 2.370 6.492 1.00 0.00 O ATOM 393 CB LYS A 26 12.940 3.398 9.273 1.00 0.00 C ATOM 394 CG LYS A 26 11.759 3.158 10.191 1.00 0.00 C ATOM 395 CD LYS A 26 12.179 3.118 11.646 1.00 0.00 C ATOM 396 CE LYS A 26 11.041 2.639 12.529 1.00 0.00 C ATOM 397 NZ LYS A 26 10.651 1.239 12.220 1.00 0.00 N ATOM 0 H LYS A 26 12.004 1.344 8.321 1.00 0.00 H new ATOM 0 HA LYS A 26 11.899 4.104 7.533 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.725 2.678 9.502 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.350 4.389 9.467 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.020 3.946 10.047 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.277 2.217 9.925 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.037 2.456 11.762 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.497 4.111 11.964 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.339 2.710 13.575 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.179 3.293 12.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.164 0.825 13.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.014 1.230 11.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.502 0.681 12.005 1.00 0.00 H new ATOM 411 N LYS A 27 14.309 4.592 6.702 1.00 0.00 N ATOM 412 CA LYS A 27 15.473 4.810 5.840 1.00 0.00 C ATOM 413 C LYS A 27 16.665 3.943 6.256 1.00 0.00 C ATOM 414 O LYS A 27 17.210 3.189 5.446 1.00 0.00 O ATOM 415 CB LYS A 27 15.884 6.275 5.888 1.00 0.00 C ATOM 416 CG LYS A 27 17.019 6.628 4.945 1.00 0.00 C ATOM 417 CD LYS A 27 17.586 7.989 5.284 1.00 0.00 C ATOM 418 CE LYS A 27 18.630 8.444 4.279 1.00 0.00 C ATOM 419 NZ LYS A 27 19.162 9.789 4.623 1.00 0.00 N ATOM 0 H LYS A 27 13.919 5.446 7.101 1.00 0.00 H new ATOM 0 HA LYS A 27 15.185 4.529 4.827 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.019 6.893 5.646 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.180 6.526 6.907 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.803 5.874 5.012 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.659 6.623 3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.777 8.719 5.320 1.00 0.00 H new ATOM 0 HD3 LYS A 27 18.031 7.957 6.278 1.00 0.00 H new ATOM 0 HE2 LYS A 27 19.448 7.724 4.250 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.191 8.469 3.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.873 10.072 3.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.384 10.479 4.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 19.602 9.758 5.565 1.00 0.00 H new ATOM 433 N THR A 28 17.066 4.048 7.517 1.00 0.00 N ATOM 434 CA THR A 28 18.237 3.326 7.991 1.00 0.00 C ATOM 435 C THR A 28 17.928 1.842 8.162 1.00 0.00 C ATOM 436 O THR A 28 18.767 0.988 7.877 1.00 0.00 O ATOM 437 CB THR A 28 18.789 3.922 9.309 1.00 0.00 C ATOM 438 OG1 THR A 28 20.066 3.344 9.609 1.00 0.00 O ATOM 439 CG2 THR A 28 17.837 3.696 10.482 1.00 0.00 C ATOM 0 H THR A 28 16.602 4.620 8.223 1.00 0.00 H new ATOM 0 HA THR A 28 19.012 3.435 7.232 1.00 0.00 H new ATOM 0 HB THR A 28 18.891 4.998 9.164 1.00 0.00 H new ATOM 0 HG1 THR A 28 20.410 3.726 10.443 1.00 0.00 H new ATOM 0 HG21 THR A 28 18.264 4.130 11.386 1.00 0.00 H new ATOM 0 HG22 THR A 28 16.879 4.170 10.269 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.688 2.626 10.629 1.00 0.00 H new ATOM 447 N ASP A 29 16.710 1.540 8.591 1.00 0.00 N ATOM 448 CA ASP A 29 16.282 0.158 8.769 1.00 0.00 C ATOM 449 C ASP A 29 16.194 -0.532 7.420 1.00 0.00 C ATOM 450 O ASP A 29 16.576 -1.688 7.278 1.00 0.00 O ATOM 451 CB ASP A 29 14.928 0.112 9.482 1.00 0.00 C ATOM 452 CG ASP A 29 14.457 -1.299 9.777 1.00 0.00 C ATOM 453 OD1 ASP A 29 15.105 -1.986 10.601 1.00 0.00 O ATOM 454 OD2 ASP A 29 13.418 -1.711 9.223 1.00 0.00 O ATOM 0 H ASP A 29 16.000 2.234 8.823 1.00 0.00 H new ATOM 0 HA ASP A 29 17.014 -0.365 9.384 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.998 0.668 10.417 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.183 0.616 8.866 1.00 0.00 H new ATOM 459 N PHE A 30 15.720 0.203 6.425 1.00 0.00 N ATOM 460 CA PHE A 30 15.645 -0.292 5.060 1.00 0.00 C ATOM 461 C PHE A 30 17.020 -0.701 4.557 1.00 0.00 C ATOM 462 O PHE A 30 17.180 -1.781 3.996 1.00 0.00 O ATOM 463 CB PHE A 30 15.043 0.767 4.134 1.00 0.00 C ATOM 464 CG PHE A 30 15.195 0.450 2.676 1.00 0.00 C ATOM 465 CD1 PHE A 30 14.526 -0.625 2.114 1.00 0.00 C ATOM 466 CD2 PHE A 30 16.018 1.222 1.874 1.00 0.00 C ATOM 467 CE1 PHE A 30 14.673 -0.920 0.775 1.00 0.00 C ATOM 468 CE2 PHE A 30 16.171 0.931 0.535 1.00 0.00 C ATOM 469 CZ PHE A 30 15.497 -0.141 -0.015 1.00 0.00 C ATOM 0 H PHE A 30 15.378 1.157 6.541 1.00 0.00 H new ATOM 0 HA PHE A 30 14.998 -1.169 5.057 1.00 0.00 H new ATOM 0 HB2 PHE A 30 13.983 0.878 4.364 1.00 0.00 H new ATOM 0 HB3 PHE A 30 15.516 1.727 4.339 1.00 0.00 H new ATOM 0 HD1 PHE A 30 13.884 -1.237 2.730 1.00 0.00 H new ATOM 0 HD2 PHE A 30 16.546 2.061 2.302 1.00 0.00 H new ATOM 0 HE1 PHE A 30 14.145 -1.758 0.345 1.00 0.00 H new ATOM 0 HE2 PHE A 30 16.816 1.540 -0.081 1.00 0.00 H new ATOM 0 HZ PHE A 30 15.614 -0.371 -1.064 1.00 0.00 H new ATOM 479 N ASP A 31 18.011 0.155 4.765 1.00 0.00 N ATOM 480 CA ASP A 31 19.370 -0.147 4.318 1.00 0.00 C ATOM 481 C ASP A 31 19.912 -1.387 5.020 1.00 0.00 C ATOM 482 O ASP A 31 20.669 -2.166 4.439 1.00 0.00 O ATOM 483 CB ASP A 31 20.290 1.053 4.564 1.00 0.00 C ATOM 484 CG ASP A 31 21.657 0.887 3.929 1.00 0.00 C ATOM 485 OD1 ASP A 31 22.538 0.251 4.545 1.00 0.00 O ATOM 486 OD2 ASP A 31 21.862 1.407 2.813 1.00 0.00 O ATOM 0 H ASP A 31 17.905 1.054 5.234 1.00 0.00 H new ATOM 0 HA ASP A 31 19.339 -0.351 3.248 1.00 0.00 H new ATOM 0 HB2 ASP A 31 19.818 1.953 4.170 1.00 0.00 H new ATOM 0 HB3 ASP A 31 20.409 1.200 5.638 1.00 0.00 H new ATOM 491 N LYS A 32 19.492 -1.578 6.258 1.00 0.00 N ATOM 492 CA LYS A 32 19.898 -2.730 7.047 1.00 0.00 C ATOM 493 C LYS A 32 19.182 -3.992 6.581 1.00 0.00 C ATOM 494 O LYS A 32 19.804 -5.044 6.419 1.00 0.00 O ATOM 495 CB LYS A 32 19.603 -2.473 8.526 1.00 0.00 C ATOM 496 CG LYS A 32 20.791 -1.958 9.324 1.00 0.00 C ATOM 497 CD LYS A 32 21.252 -0.594 8.846 1.00 0.00 C ATOM 498 CE LYS A 32 22.399 -0.071 9.694 1.00 0.00 C ATOM 499 NZ LYS A 32 22.845 1.276 9.257 1.00 0.00 N ATOM 0 H LYS A 32 18.861 -0.941 6.745 1.00 0.00 H new ATOM 0 HA LYS A 32 20.969 -2.880 6.912 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.790 -1.751 8.602 1.00 0.00 H new ATOM 0 HB3 LYS A 32 19.250 -3.399 8.980 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.521 -1.900 10.378 1.00 0.00 H new ATOM 0 HG3 LYS A 32 21.615 -2.667 9.245 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.567 -0.658 7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 32 20.419 0.108 8.884 1.00 0.00 H new ATOM 0 HE2 LYS A 32 22.088 -0.029 10.738 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.237 -0.766 9.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 23.629 1.595 9.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.166 1.232 8.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 22.053 1.946 9.334 1.00 0.00 H new ATOM 513 N VAL A 33 17.879 -3.885 6.348 1.00 0.00 N ATOM 514 CA VAL A 33 17.086 -5.043 5.953 1.00 0.00 C ATOM 515 C VAL A 33 17.311 -5.382 4.486 1.00 0.00 C ATOM 516 O VAL A 33 17.055 -6.503 4.061 1.00 0.00 O ATOM 517 CB VAL A 33 15.572 -4.855 6.213 1.00 0.00 C ATOM 518 CG1 VAL A 33 15.309 -4.570 7.684 1.00 0.00 C ATOM 519 CG2 VAL A 33 14.993 -3.756 5.336 1.00 0.00 C ATOM 0 H VAL A 33 17.352 -3.015 6.425 1.00 0.00 H new ATOM 0 HA VAL A 33 17.427 -5.868 6.578 1.00 0.00 H new ATOM 0 HB VAL A 33 15.070 -5.786 5.951 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.239 -4.441 7.844 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.668 -5.405 8.286 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.832 -3.660 7.977 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.928 -3.649 5.543 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.501 -2.815 5.549 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.135 -4.015 4.287 1.00 0.00 H new ATOM 529 N ALA A 34 17.823 -4.421 3.717 1.00 0.00 N ATOM 530 CA ALA A 34 18.110 -4.646 2.304 1.00 0.00 C ATOM 531 C ALA A 34 19.166 -5.731 2.130 1.00 0.00 C ATOM 532 O ALA A 34 19.323 -6.293 1.050 1.00 0.00 O ATOM 533 CB ALA A 34 18.565 -3.356 1.641 1.00 0.00 C ATOM 0 H ALA A 34 18.046 -3.483 4.049 1.00 0.00 H new ATOM 0 HA ALA A 34 17.192 -4.982 1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.775 -3.543 0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 34 17.779 -2.606 1.727 1.00 0.00 H new ATOM 0 HB3 ALA A 34 19.468 -2.993 2.132 1.00 0.00 H new ATOM 539 N SER A 35 19.878 -6.027 3.208 1.00 0.00 N ATOM 540 CA SER A 35 20.903 -7.050 3.186 1.00 0.00 C ATOM 541 C SER A 35 20.290 -8.441 3.396 1.00 0.00 C ATOM 542 O SER A 35 20.917 -9.458 3.102 1.00 0.00 O ATOM 543 CB SER A 35 21.955 -6.742 4.257 1.00 0.00 C ATOM 544 OG SER A 35 23.042 -7.648 4.178 1.00 0.00 O ATOM 0 H SER A 35 19.760 -5.568 4.111 1.00 0.00 H new ATOM 0 HA SER A 35 21.386 -7.051 2.209 1.00 0.00 H new ATOM 0 HB2 SER A 35 22.318 -5.722 4.132 1.00 0.00 H new ATOM 0 HB3 SER A 35 21.500 -6.800 5.246 1.00 0.00 H new ATOM 0 HG SER A 35 22.743 -8.482 3.760 1.00 0.00 H new ATOM 550 N GLU A 36 19.061 -8.480 3.900 1.00 0.00 N ATOM 551 CA GLU A 36 18.363 -9.741 4.125 1.00 0.00 C ATOM 552 C GLU A 36 17.151 -9.863 3.207 1.00 0.00 C ATOM 553 O GLU A 36 16.317 -10.758 3.383 1.00 0.00 O ATOM 554 CB GLU A 36 17.881 -9.833 5.571 1.00 0.00 C ATOM 555 CG GLU A 36 18.829 -9.240 6.587 1.00 0.00 C ATOM 556 CD GLU A 36 18.403 -9.551 8.008 1.00 0.00 C ATOM 557 OE1 GLU A 36 18.823 -10.598 8.543 1.00 0.00 O ATOM 558 OE2 GLU A 36 17.621 -8.764 8.584 1.00 0.00 O ATOM 0 H GLU A 36 18.527 -7.651 4.161 1.00 0.00 H new ATOM 0 HA GLU A 36 19.066 -10.547 3.913 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.919 -9.328 5.653 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.713 -10.881 5.818 1.00 0.00 H new ATOM 0 HG2 GLU A 36 19.833 -9.628 6.416 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.877 -8.160 6.451 1.00 0.00 H new ATOM 565 N TYR A 37 17.042 -8.956 2.250 1.00 0.00 N ATOM 566 CA TYR A 37 15.901 -8.924 1.346 1.00 0.00 C ATOM 567 C TYR A 37 16.379 -8.901 -0.106 1.00 0.00 C ATOM 568 O TYR A 37 17.581 -8.904 -0.367 1.00 0.00 O ATOM 569 CB TYR A 37 15.009 -7.710 1.655 1.00 0.00 C ATOM 570 CG TYR A 37 14.089 -7.908 2.850 1.00 0.00 C ATOM 571 CD1 TYR A 37 14.592 -8.153 4.124 1.00 0.00 C ATOM 572 CD2 TYR A 37 12.711 -7.848 2.700 1.00 0.00 C ATOM 573 CE1 TYR A 37 13.752 -8.339 5.205 1.00 0.00 C ATOM 574 CE2 TYR A 37 11.865 -8.031 3.778 1.00 0.00 C ATOM 575 CZ TYR A 37 12.388 -8.276 5.026 1.00 0.00 C ATOM 576 OH TYR A 37 11.542 -8.452 6.098 1.00 0.00 O ATOM 0 H TYR A 37 17.734 -8.227 2.078 1.00 0.00 H new ATOM 0 HA TYR A 37 15.306 -9.825 1.493 1.00 0.00 H new ATOM 0 HB2 TYR A 37 15.643 -6.843 1.837 1.00 0.00 H new ATOM 0 HB3 TYR A 37 14.404 -7.483 0.777 1.00 0.00 H new ATOM 0 HD1 TYR A 37 15.661 -8.199 4.271 1.00 0.00 H new ATOM 0 HD2 TYR A 37 12.292 -7.655 1.724 1.00 0.00 H new ATOM 0 HE1 TYR A 37 14.163 -8.533 6.185 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.795 -7.982 3.640 1.00 0.00 H new ATOM 0 HH TYR A 37 10.612 -8.375 5.797 1.00 0.00 H new ATOM 586 N THR A 38 15.446 -8.905 -1.045 1.00 0.00 N ATOM 587 CA THR A 38 15.784 -8.960 -2.459 1.00 0.00 C ATOM 588 C THR A 38 14.924 -7.995 -3.274 1.00 0.00 C ATOM 589 O THR A 38 13.734 -7.834 -3.010 1.00 0.00 O ATOM 590 CB THR A 38 15.611 -10.397 -2.992 1.00 0.00 C ATOM 591 OG1 THR A 38 16.482 -11.278 -2.274 1.00 0.00 O ATOM 592 CG2 THR A 38 15.911 -10.487 -4.481 1.00 0.00 C ATOM 0 H THR A 38 14.445 -8.871 -0.853 1.00 0.00 H new ATOM 0 HA THR A 38 16.826 -8.659 -2.566 1.00 0.00 H new ATOM 0 HB THR A 38 14.571 -10.688 -2.843 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.372 -12.192 -2.610 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.778 -11.515 -4.818 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.231 -9.835 -5.029 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.939 -10.176 -4.664 1.00 0.00 H new ATOM 600 N LYS A 39 15.540 -7.363 -4.261 1.00 0.00 N ATOM 601 CA LYS A 39 14.869 -6.389 -5.113 1.00 0.00 C ATOM 602 C LYS A 39 14.162 -7.100 -6.261 1.00 0.00 C ATOM 603 O LYS A 39 14.793 -7.825 -7.027 1.00 0.00 O ATOM 604 CB LYS A 39 15.904 -5.404 -5.664 1.00 0.00 C ATOM 605 CG LYS A 39 15.312 -4.239 -6.440 1.00 0.00 C ATOM 606 CD LYS A 39 16.384 -3.537 -7.254 1.00 0.00 C ATOM 607 CE LYS A 39 15.865 -2.267 -7.908 1.00 0.00 C ATOM 608 NZ LYS A 39 15.673 -1.172 -6.923 1.00 0.00 N ATOM 0 H LYS A 39 16.522 -7.510 -4.496 1.00 0.00 H new ATOM 0 HA LYS A 39 14.126 -5.846 -4.529 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.491 -5.011 -4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.592 -5.945 -6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.524 -4.599 -7.101 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.851 -3.532 -5.750 1.00 0.00 H new ATOM 0 HD2 LYS A 39 17.227 -3.293 -6.608 1.00 0.00 H new ATOM 0 HD3 LYS A 39 16.756 -4.214 -8.023 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.566 -1.943 -8.678 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.918 -2.477 -8.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.334 -0.320 -7.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.973 -1.464 -6.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 16.578 -0.965 -6.453 1.00 0.00 H new ATOM 622 N ILE A 40 12.855 -6.902 -6.376 1.00 0.00 N ATOM 623 CA ILE A 40 12.084 -7.574 -7.415 1.00 0.00 C ATOM 624 C ILE A 40 11.635 -6.603 -8.498 1.00 0.00 C ATOM 625 O ILE A 40 10.921 -6.981 -9.430 1.00 0.00 O ATOM 626 CB ILE A 40 10.853 -8.294 -6.838 1.00 0.00 C ATOM 627 CG1 ILE A 40 10.022 -7.334 -5.983 1.00 0.00 C ATOM 628 CG2 ILE A 40 11.285 -9.507 -6.031 1.00 0.00 C ATOM 629 CD1 ILE A 40 8.743 -7.946 -5.455 1.00 0.00 C ATOM 0 H ILE A 40 12.311 -6.288 -5.770 1.00 0.00 H new ATOM 0 HA ILE A 40 12.750 -8.315 -7.857 1.00 0.00 H new ATOM 0 HB ILE A 40 10.228 -8.637 -7.663 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.626 -6.994 -5.142 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.776 -6.453 -6.576 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.405 -10.008 -5.628 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.832 -10.196 -6.674 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.928 -9.188 -5.211 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.206 -7.209 -4.858 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.118 -8.261 -6.291 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.982 -8.810 -4.835 1.00 0.00 H new ATOM 641 N GLY A 41 12.043 -5.356 -8.371 1.00 0.00 N ATOM 642 CA GLY A 41 11.730 -4.378 -9.388 1.00 0.00 C ATOM 643 C GLY A 41 11.020 -3.168 -8.826 1.00 0.00 C ATOM 644 O GLY A 41 10.610 -3.160 -7.664 1.00 0.00 O ATOM 0 H GLY A 41 12.585 -5.001 -7.583 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.650 -4.060 -9.878 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.105 -4.840 -10.152 1.00 0.00 H new ATOM 648 N THR A 42 10.880 -2.146 -9.647 1.00 0.00 N ATOM 649 CA THR A 42 10.212 -0.927 -9.240 1.00 0.00 C ATOM 650 C THR A 42 8.825 -0.847 -9.880 1.00 0.00 C ATOM 651 O THR A 42 8.572 -1.463 -10.918 1.00 0.00 O ATOM 652 CB THR A 42 11.042 0.304 -9.656 1.00 0.00 C ATOM 653 OG1 THR A 42 12.438 0.055 -9.423 1.00 0.00 O ATOM 654 CG2 THR A 42 10.629 1.551 -8.887 1.00 0.00 C ATOM 0 H THR A 42 11.223 -2.137 -10.607 1.00 0.00 H new ATOM 0 HA THR A 42 10.108 -0.937 -8.155 1.00 0.00 H new ATOM 0 HB THR A 42 10.859 0.476 -10.717 1.00 0.00 H new ATOM 0 HG1 THR A 42 12.615 0.059 -8.459 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.238 2.396 -9.210 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.578 1.766 -9.080 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.775 1.385 -7.820 1.00 0.00 H new ATOM 662 N ILE A 43 7.934 -0.114 -9.243 1.00 0.00 N ATOM 663 CA ILE A 43 6.627 0.177 -9.802 1.00 0.00 C ATOM 664 C ILE A 43 6.493 1.689 -9.957 1.00 0.00 C ATOM 665 O ILE A 43 7.252 2.447 -9.348 1.00 0.00 O ATOM 666 CB ILE A 43 5.479 -0.378 -8.918 1.00 0.00 C ATOM 667 CG1 ILE A 43 5.603 0.144 -7.485 1.00 0.00 C ATOM 668 CG2 ILE A 43 5.463 -1.906 -8.937 1.00 0.00 C ATOM 669 CD1 ILE A 43 4.639 -0.497 -6.509 1.00 0.00 C ATOM 0 H ILE A 43 8.095 0.297 -8.323 1.00 0.00 H new ATOM 0 HA ILE A 43 6.544 -0.314 -10.771 1.00 0.00 H new ATOM 0 HB ILE A 43 4.534 -0.027 -9.331 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.622 -0.023 -7.136 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.439 1.222 -7.487 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.649 -2.269 -8.310 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.317 -2.256 -9.959 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.411 -2.285 -8.556 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.791 -0.073 -5.516 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.615 -0.308 -6.832 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.816 -1.572 -6.475 1.00 0.00 H new ATOM 681 N SER A 44 5.536 2.133 -10.748 1.00 0.00 N ATOM 682 CA SER A 44 5.425 3.552 -11.055 1.00 0.00 C ATOM 683 C SER A 44 3.973 3.959 -11.276 1.00 0.00 C ATOM 684 O SER A 44 3.095 3.114 -11.459 1.00 0.00 O ATOM 685 CB SER A 44 6.255 3.878 -12.301 1.00 0.00 C ATOM 686 OG SER A 44 6.332 5.276 -12.535 1.00 0.00 O ATOM 0 H SER A 44 4.830 1.542 -11.187 1.00 0.00 H new ATOM 0 HA SER A 44 5.806 4.116 -10.204 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.260 3.474 -12.183 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.814 3.388 -13.169 1.00 0.00 H new ATOM 0 HG SER A 44 6.870 5.444 -13.336 1.00 0.00 H new ATOM 692 N THR A 45 3.744 5.262 -11.260 1.00 0.00 N ATOM 693 CA THR A 45 2.427 5.831 -11.479 1.00 0.00 C ATOM 694 C THR A 45 2.543 7.162 -12.209 1.00 0.00 C ATOM 695 O THR A 45 3.208 8.087 -11.733 1.00 0.00 O ATOM 696 CB THR A 45 1.667 6.042 -10.157 1.00 0.00 C ATOM 697 OG1 THR A 45 2.570 6.463 -9.124 1.00 0.00 O ATOM 698 CG2 THR A 45 0.946 4.775 -9.731 1.00 0.00 C ATOM 0 H THR A 45 4.472 5.957 -11.094 1.00 0.00 H new ATOM 0 HA THR A 45 1.865 5.121 -12.087 1.00 0.00 H new ATOM 0 HB THR A 45 0.922 6.821 -10.320 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.471 6.561 -9.497 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.418 4.954 -8.794 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.231 4.487 -10.501 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.671 3.973 -9.591 1.00 0.00 H new ATOM 706 N THR A 46 1.919 7.252 -13.371 1.00 0.00 N ATOM 707 CA THR A 46 1.969 8.454 -14.187 1.00 0.00 C ATOM 708 C THR A 46 0.759 8.516 -15.114 1.00 0.00 C ATOM 709 O THR A 46 0.553 7.634 -15.951 1.00 0.00 O ATOM 710 CB THR A 46 3.261 8.514 -15.027 1.00 0.00 C ATOM 711 OG1 THR A 46 4.411 8.452 -14.168 1.00 0.00 O ATOM 712 CG2 THR A 46 3.314 9.786 -15.857 1.00 0.00 C ATOM 0 H THR A 46 1.365 6.497 -13.775 1.00 0.00 H new ATOM 0 HA THR A 46 1.957 9.309 -13.511 1.00 0.00 H new ATOM 0 HB THR A 46 3.264 7.659 -15.703 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.120 8.434 -13.232 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.235 9.802 -16.439 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.458 9.817 -16.531 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.287 10.653 -15.197 1.00 0.00 H new ATOM 720 N GLY A 47 -0.031 9.561 -14.951 1.00 0.00 N ATOM 721 CA GLY A 47 -1.227 9.728 -15.745 1.00 0.00 C ATOM 722 C GLY A 47 -2.041 10.900 -15.254 1.00 0.00 C ATOM 723 O GLY A 47 -1.579 12.037 -15.297 1.00 0.00 O ATOM 0 H GLY A 47 0.137 10.306 -14.275 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.956 9.881 -16.790 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.827 8.819 -15.701 1.00 0.00 H new ATOM 727 N GLU A 48 -3.243 10.621 -14.778 1.00 0.00 N ATOM 728 CA GLU A 48 -4.087 11.648 -14.185 1.00 0.00 C ATOM 729 C GLU A 48 -5.093 11.034 -13.215 1.00 0.00 C ATOM 730 O GLU A 48 -6.188 10.623 -13.599 1.00 0.00 O ATOM 731 CB GLU A 48 -4.783 12.488 -15.262 1.00 0.00 C ATOM 732 CG GLU A 48 -5.309 11.684 -16.438 1.00 0.00 C ATOM 733 CD GLU A 48 -5.695 12.569 -17.604 1.00 0.00 C ATOM 734 OE1 GLU A 48 -4.882 13.433 -17.985 1.00 0.00 O ATOM 735 OE2 GLU A 48 -6.807 12.410 -18.147 1.00 0.00 O ATOM 0 H GLU A 48 -3.658 9.689 -14.790 1.00 0.00 H new ATOM 0 HA GLU A 48 -3.446 12.321 -13.615 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.613 13.028 -14.806 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.082 13.236 -15.633 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.549 10.972 -16.759 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.175 11.103 -16.121 1.00 0.00 H new ATOM 742 N MET A 49 -4.677 10.944 -11.958 1.00 0.00 N ATOM 743 CA MET A 49 -5.507 10.425 -10.876 1.00 0.00 C ATOM 744 C MET A 49 -5.210 11.219 -9.609 1.00 0.00 C ATOM 745 O MET A 49 -4.495 12.220 -9.657 1.00 0.00 O ATOM 746 CB MET A 49 -5.216 8.935 -10.635 1.00 0.00 C ATOM 747 CG MET A 49 -5.752 7.989 -11.712 1.00 0.00 C ATOM 748 SD MET A 49 -7.459 7.462 -11.416 1.00 0.00 S ATOM 749 CE MET A 49 -8.354 8.998 -11.645 1.00 0.00 C ATOM 0 H MET A 49 -3.746 11.232 -11.657 1.00 0.00 H new ATOM 0 HA MET A 49 -6.558 10.527 -11.148 1.00 0.00 H new ATOM 0 HB2 MET A 49 -4.137 8.799 -10.557 1.00 0.00 H new ATOM 0 HB3 MET A 49 -5.644 8.647 -9.675 1.00 0.00 H new ATOM 0 HG2 MET A 49 -5.695 8.484 -12.682 1.00 0.00 H new ATOM 0 HG3 MET A 49 -5.111 7.109 -11.765 1.00 0.00 H new ATOM 0 HE1 MET A 49 -9.415 8.785 -11.776 1.00 0.00 H new ATOM 0 HE2 MET A 49 -8.217 9.633 -10.770 1.00 0.00 H new ATOM 0 HE3 MET A 49 -7.975 9.512 -12.529 1.00 0.00 H new ATOM 759 N SER A 50 -5.750 10.790 -8.482 1.00 0.00 N ATOM 760 CA SER A 50 -5.392 11.394 -7.211 1.00 0.00 C ATOM 761 C SER A 50 -4.198 10.646 -6.616 1.00 0.00 C ATOM 762 O SER A 50 -4.083 9.429 -6.782 1.00 0.00 O ATOM 763 CB SER A 50 -6.586 11.374 -6.257 1.00 0.00 C ATOM 764 OG SER A 50 -7.687 12.087 -6.807 1.00 0.00 O ATOM 0 H SER A 50 -6.431 10.033 -8.420 1.00 0.00 H new ATOM 0 HA SER A 50 -5.112 12.436 -7.367 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.879 10.343 -6.056 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.301 11.816 -5.302 1.00 0.00 H new ATOM 0 HG SER A 50 -8.440 12.060 -6.181 1.00 0.00 H new ATOM 770 N PRO A 51 -3.289 11.365 -5.935 1.00 0.00 N ATOM 771 CA PRO A 51 -2.038 10.796 -5.418 1.00 0.00 C ATOM 772 C PRO A 51 -2.252 9.546 -4.568 1.00 0.00 C ATOM 773 O PRO A 51 -1.509 8.573 -4.683 1.00 0.00 O ATOM 774 CB PRO A 51 -1.434 11.928 -4.570 1.00 0.00 C ATOM 775 CG PRO A 51 -2.522 12.938 -4.414 1.00 0.00 C ATOM 776 CD PRO A 51 -3.396 12.796 -5.627 1.00 0.00 C ATOM 0 HA PRO A 51 -1.392 10.468 -6.232 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.102 11.557 -3.600 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.563 12.363 -5.060 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.090 12.761 -3.501 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.112 13.946 -4.344 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.425 13.090 -5.421 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -3.046 13.415 -6.453 1.00 0.00 H new ATOM 784 N LEU A 52 -3.278 9.567 -3.729 1.00 0.00 N ATOM 785 CA LEU A 52 -3.561 8.444 -2.841 1.00 0.00 C ATOM 786 C LEU A 52 -4.030 7.220 -3.625 1.00 0.00 C ATOM 787 O LEU A 52 -3.702 6.092 -3.265 1.00 0.00 O ATOM 788 CB LEU A 52 -4.601 8.823 -1.781 1.00 0.00 C ATOM 789 CG LEU A 52 -4.082 9.688 -0.626 1.00 0.00 C ATOM 790 CD1 LEU A 52 -3.764 11.100 -1.096 1.00 0.00 C ATOM 791 CD2 LEU A 52 -5.093 9.716 0.506 1.00 0.00 C ATOM 0 H LEU A 52 -3.929 10.348 -3.643 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.629 8.191 -2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.417 9.354 -2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.021 7.907 -1.366 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.157 9.244 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.398 11.690 -0.255 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.000 11.062 -1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.666 11.562 -1.498 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.712 10.334 1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.033 10.133 0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.261 8.702 0.869 1.00 0.00 H new ATOM 803 N ASP A 53 -4.776 7.443 -4.706 1.00 0.00 N ATOM 804 CA ASP A 53 -5.246 6.341 -5.545 1.00 0.00 C ATOM 805 C ASP A 53 -4.060 5.615 -6.150 1.00 0.00 C ATOM 806 O ASP A 53 -3.991 4.385 -6.137 1.00 0.00 O ATOM 807 CB ASP A 53 -6.154 6.837 -6.674 1.00 0.00 C ATOM 808 CG ASP A 53 -7.418 7.503 -6.180 1.00 0.00 C ATOM 809 OD1 ASP A 53 -8.120 6.916 -5.331 1.00 0.00 O ATOM 810 OD2 ASP A 53 -7.720 8.619 -6.646 1.00 0.00 O ATOM 0 H ASP A 53 -5.066 8.369 -5.020 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.821 5.666 -4.911 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.599 7.542 -7.293 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.422 5.994 -7.312 1.00 0.00 H new ATOM 815 N ALA A 54 -3.118 6.395 -6.666 1.00 0.00 N ATOM 816 CA ALA A 54 -1.899 5.851 -7.243 1.00 0.00 C ATOM 817 C ALA A 54 -1.125 5.058 -6.200 1.00 0.00 C ATOM 818 O ALA A 54 -0.673 3.945 -6.460 1.00 0.00 O ATOM 819 CB ALA A 54 -1.037 6.971 -7.803 1.00 0.00 C ATOM 0 H ALA A 54 -3.178 7.413 -6.696 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.170 5.179 -8.057 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.128 6.550 -8.232 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.590 7.504 -8.576 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.774 7.663 -7.003 1.00 0.00 H new ATOM 825 N ARG A 55 -1.006 5.632 -5.006 1.00 0.00 N ATOM 826 CA ARG A 55 -0.292 4.999 -3.916 1.00 0.00 C ATOM 827 C ARG A 55 -0.973 3.696 -3.525 1.00 0.00 C ATOM 828 O ARG A 55 -0.326 2.661 -3.441 1.00 0.00 O ATOM 829 CB ARG A 55 -0.205 5.964 -2.731 1.00 0.00 C ATOM 830 CG ARG A 55 0.703 7.154 -3.007 1.00 0.00 C ATOM 831 CD ARG A 55 0.672 8.182 -1.886 1.00 0.00 C ATOM 832 NE ARG A 55 1.303 7.692 -0.659 1.00 0.00 N ATOM 833 CZ ARG A 55 1.685 8.484 0.350 1.00 0.00 C ATOM 834 NH1 ARG A 55 1.529 9.798 0.259 1.00 0.00 N ATOM 835 NH2 ARG A 55 2.238 7.961 1.437 1.00 0.00 N ATOM 0 H ARG A 55 -1.401 6.543 -4.774 1.00 0.00 H new ATOM 0 HA ARG A 55 0.722 4.757 -4.236 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.204 6.324 -2.487 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.163 5.427 -1.857 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.725 6.803 -3.145 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.400 7.629 -3.940 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.180 9.089 -2.215 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -0.362 8.454 -1.675 1.00 0.00 H new ATOM 0 HE ARG A 55 1.461 6.688 -0.568 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.118 10.206 -0.581 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.820 10.401 1.029 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.373 6.952 1.506 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.528 8.568 2.204 1.00 0.00 H new ATOM 849 N GLU A 56 -2.285 3.746 -3.335 1.00 0.00 N ATOM 850 CA GLU A 56 -3.065 2.555 -3.010 1.00 0.00 C ATOM 851 C GLU A 56 -2.879 1.461 -4.053 1.00 0.00 C ATOM 852 O GLU A 56 -2.732 0.292 -3.706 1.00 0.00 O ATOM 853 CB GLU A 56 -4.549 2.900 -2.888 1.00 0.00 C ATOM 854 CG GLU A 56 -4.991 3.232 -1.473 1.00 0.00 C ATOM 855 CD GLU A 56 -4.952 2.026 -0.559 1.00 0.00 C ATOM 856 OE1 GLU A 56 -5.783 1.110 -0.744 1.00 0.00 O ATOM 857 OE2 GLU A 56 -4.082 1.975 0.336 1.00 0.00 O ATOM 0 H GLU A 56 -2.835 4.602 -3.400 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.701 2.182 -2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.769 3.749 -3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.138 2.059 -3.254 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.347 4.013 -1.068 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.004 3.634 -1.496 1.00 0.00 H new ATOM 864 N ASP A 57 -2.862 1.844 -5.323 1.00 0.00 N ATOM 865 CA ASP A 57 -2.740 0.871 -6.403 1.00 0.00 C ATOM 866 C ASP A 57 -1.345 0.267 -6.410 1.00 0.00 C ATOM 867 O ASP A 57 -1.173 -0.924 -6.660 1.00 0.00 O ATOM 868 CB ASP A 57 -3.038 1.519 -7.757 1.00 0.00 C ATOM 869 CG ASP A 57 -3.078 0.507 -8.884 1.00 0.00 C ATOM 870 OD1 ASP A 57 -4.125 -0.152 -9.058 1.00 0.00 O ATOM 871 OD2 ASP A 57 -2.068 0.373 -9.607 1.00 0.00 O ATOM 0 H ASP A 57 -2.931 2.814 -5.630 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.470 0.080 -6.233 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.994 2.039 -7.705 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.278 2.270 -7.973 1.00 0.00 H new ATOM 876 N LEU A 58 -0.356 1.096 -6.109 1.00 0.00 N ATOM 877 CA LEU A 58 1.025 0.644 -6.020 1.00 0.00 C ATOM 878 C LEU A 58 1.195 -0.299 -4.837 1.00 0.00 C ATOM 879 O LEU A 58 1.751 -1.390 -4.966 1.00 0.00 O ATOM 880 CB LEU A 58 1.963 1.841 -5.857 1.00 0.00 C ATOM 881 CG LEU A 58 2.106 2.737 -7.085 1.00 0.00 C ATOM 882 CD1 LEU A 58 3.093 3.863 -6.807 1.00 0.00 C ATOM 883 CD2 LEU A 58 2.549 1.926 -8.295 1.00 0.00 C ATOM 0 H LEU A 58 -0.485 2.090 -5.921 1.00 0.00 H new ATOM 0 HA LEU A 58 1.275 0.115 -6.939 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.607 2.449 -5.025 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.951 1.471 -5.582 1.00 0.00 H new ATOM 0 HG LEU A 58 1.133 3.175 -7.306 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.184 4.493 -7.692 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.735 4.462 -5.970 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.067 3.440 -6.560 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.645 2.584 -9.159 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.511 1.458 -8.087 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.809 1.155 -8.507 1.00 0.00 H new ATOM 895 N ILE A 59 0.689 0.131 -3.690 1.00 0.00 N ATOM 896 CA ILE A 59 0.808 -0.624 -2.455 1.00 0.00 C ATOM 897 C ILE A 59 0.070 -1.957 -2.551 1.00 0.00 C ATOM 898 O ILE A 59 0.585 -2.988 -2.115 1.00 0.00 O ATOM 899 CB ILE A 59 0.270 0.192 -1.255 1.00 0.00 C ATOM 900 CG1 ILE A 59 1.075 1.484 -1.092 1.00 0.00 C ATOM 901 CG2 ILE A 59 0.333 -0.624 0.028 1.00 0.00 C ATOM 902 CD1 ILE A 59 0.327 2.585 -0.369 1.00 0.00 C ATOM 0 H ILE A 59 0.185 1.012 -3.591 1.00 0.00 H new ATOM 0 HA ILE A 59 1.867 -0.826 -2.295 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.772 0.442 -1.453 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.993 1.263 -0.547 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.369 1.844 -2.078 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.050 -0.029 0.857 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.272 -1.524 -0.083 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.367 -0.904 0.230 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.963 3.467 -0.293 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.577 2.836 -0.924 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.056 2.245 0.631 1.00 0.00 H new ATOM 914 N LYS A 60 -1.127 -1.946 -3.140 1.00 0.00 N ATOM 915 CA LYS A 60 -1.904 -3.173 -3.267 1.00 0.00 C ATOM 916 C LYS A 60 -1.245 -4.119 -4.265 1.00 0.00 C ATOM 917 O LYS A 60 -1.189 -5.318 -4.036 1.00 0.00 O ATOM 918 CB LYS A 60 -3.364 -2.898 -3.674 1.00 0.00 C ATOM 919 CG LYS A 60 -3.566 -2.690 -5.165 1.00 0.00 C ATOM 920 CD LYS A 60 -5.038 -2.543 -5.524 1.00 0.00 C ATOM 921 CE LYS A 60 -5.220 -2.305 -7.016 1.00 0.00 C ATOM 922 NZ LYS A 60 -6.654 -2.257 -7.414 1.00 0.00 N ATOM 0 H LYS A 60 -1.571 -1.114 -3.530 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.924 -3.645 -2.285 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.984 -3.733 -3.348 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.717 -2.013 -3.144 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.024 -1.800 -5.484 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.142 -3.534 -5.710 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.579 -3.442 -5.228 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.470 -1.713 -4.965 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.738 -1.368 -7.293 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.718 -3.098 -7.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.725 -2.093 -8.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -7.111 -3.160 -7.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.130 -1.484 -6.906 1.00 0.00 H new ATOM 936 N LYS A 61 -0.718 -3.567 -5.352 1.00 0.00 N ATOM 937 CA LYS A 61 -0.136 -4.365 -6.416 1.00 0.00 C ATOM 938 C LYS A 61 1.175 -4.998 -5.981 1.00 0.00 C ATOM 939 O LYS A 61 1.462 -6.138 -6.329 1.00 0.00 O ATOM 940 CB LYS A 61 0.082 -3.482 -7.632 1.00 0.00 C ATOM 941 CG LYS A 61 -0.397 -4.111 -8.915 1.00 0.00 C ATOM 942 CD LYS A 61 -0.808 -3.057 -9.927 1.00 0.00 C ATOM 943 CE LYS A 61 0.265 -1.998 -10.115 1.00 0.00 C ATOM 944 NZ LYS A 61 -0.204 -0.906 -11.004 1.00 0.00 N ATOM 0 H LYS A 61 -0.684 -2.561 -5.517 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.822 -5.175 -6.664 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.437 -2.535 -7.483 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.144 -3.253 -7.721 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.394 -4.732 -9.335 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.242 -4.768 -8.707 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.017 -3.535 -10.884 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.733 -2.582 -9.600 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.545 -1.586 -9.146 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.160 -2.455 -10.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.531 -0.174 -11.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.400 -1.289 -11.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.073 -0.489 -10.613 1.00 0.00 H new ATOM 958 N ALA A 62 1.976 -4.248 -5.239 1.00 0.00 N ATOM 959 CA ALA A 62 3.177 -4.799 -4.626 1.00 0.00 C ATOM 960 C ALA A 62 2.818 -5.970 -3.713 1.00 0.00 C ATOM 961 O ALA A 62 3.473 -7.011 -3.735 1.00 0.00 O ATOM 962 CB ALA A 62 3.911 -3.724 -3.843 1.00 0.00 C ATOM 0 H ALA A 62 1.818 -3.259 -5.047 1.00 0.00 H new ATOM 0 HA ALA A 62 3.834 -5.163 -5.416 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.806 -4.151 -3.391 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.195 -2.914 -4.515 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.259 -3.335 -3.061 1.00 0.00 H new ATOM 968 N ASP A 63 1.759 -5.790 -2.928 1.00 0.00 N ATOM 969 CA ASP A 63 1.282 -6.826 -2.010 1.00 0.00 C ATOM 970 C ASP A 63 0.674 -7.995 -2.785 1.00 0.00 C ATOM 971 O ASP A 63 0.766 -9.151 -2.370 1.00 0.00 O ATOM 972 CB ASP A 63 0.253 -6.226 -1.043 1.00 0.00 C ATOM 973 CG ASP A 63 -0.248 -7.212 -0.005 1.00 0.00 C ATOM 974 OD1 ASP A 63 0.449 -7.429 1.008 1.00 0.00 O ATOM 975 OD2 ASP A 63 -1.356 -7.754 -0.184 1.00 0.00 O ATOM 0 H ASP A 63 1.210 -4.931 -2.908 1.00 0.00 H new ATOM 0 HA ASP A 63 2.127 -7.206 -1.437 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.699 -5.371 -0.535 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.595 -5.850 -1.615 1.00 0.00 H new ATOM 980 N GLU A 64 0.055 -7.679 -3.917 1.00 0.00 N ATOM 981 CA GLU A 64 -0.489 -8.689 -4.818 1.00 0.00 C ATOM 982 C GLU A 64 0.626 -9.473 -5.501 1.00 0.00 C ATOM 983 O GLU A 64 0.507 -10.679 -5.714 1.00 0.00 O ATOM 984 CB GLU A 64 -1.386 -8.032 -5.868 1.00 0.00 C ATOM 985 CG GLU A 64 -2.746 -7.629 -5.340 1.00 0.00 C ATOM 986 CD GLU A 64 -3.701 -7.220 -6.438 1.00 0.00 C ATOM 987 OE1 GLU A 64 -4.275 -8.118 -7.091 1.00 0.00 O ATOM 988 OE2 GLU A 64 -3.895 -6.007 -6.652 1.00 0.00 O ATOM 0 H GLU A 64 -0.084 -6.720 -4.235 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.082 -9.386 -4.226 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.883 -7.149 -6.262 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.519 -8.721 -6.702 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.176 -8.461 -4.782 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.629 -6.802 -4.640 1.00 0.00 H new ATOM 995 N LYS A 65 1.703 -8.780 -5.852 1.00 0.00 N ATOM 996 CA LYS A 65 2.871 -9.424 -6.434 1.00 0.00 C ATOM 997 C LYS A 65 3.549 -10.293 -5.381 1.00 0.00 C ATOM 998 O LYS A 65 4.126 -11.334 -5.692 1.00 0.00 O ATOM 999 CB LYS A 65 3.849 -8.377 -6.983 1.00 0.00 C ATOM 1000 CG LYS A 65 5.049 -8.977 -7.704 1.00 0.00 C ATOM 1001 CD LYS A 65 5.915 -7.904 -8.350 1.00 0.00 C ATOM 1002 CE LYS A 65 5.158 -7.143 -9.432 1.00 0.00 C ATOM 1003 NZ LYS A 65 4.765 -8.023 -10.570 1.00 0.00 N ATOM 0 H LYS A 65 1.790 -7.770 -5.743 1.00 0.00 H new ATOM 0 HA LYS A 65 2.554 -10.053 -7.265 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.316 -7.720 -7.670 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.204 -7.757 -6.159 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.648 -9.551 -6.997 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.703 -9.674 -8.468 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.258 -7.206 -7.587 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.803 -8.365 -8.783 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.265 -6.691 -8.999 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.780 -6.328 -9.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 4.422 -7.438 -11.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.589 -8.576 -10.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 4.009 -8.669 -10.264 1.00 0.00 H new ATOM 1017 N GLY A 66 3.470 -9.853 -4.130 1.00 0.00 N ATOM 1018 CA GLY A 66 3.960 -10.658 -3.034 1.00 0.00 C ATOM 1019 C GLY A 66 5.102 -10.012 -2.282 1.00 0.00 C ATOM 1020 O GLY A 66 5.694 -10.642 -1.407 1.00 0.00 O ATOM 0 H GLY A 66 3.075 -8.953 -3.858 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.142 -10.853 -2.341 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.288 -11.623 -3.419 1.00 0.00 H new ATOM 1024 N ALA A 67 5.411 -8.761 -2.617 1.00 0.00 N ATOM 1025 CA ALA A 67 6.525 -8.046 -1.998 1.00 0.00 C ATOM 1026 C ALA A 67 6.350 -7.950 -0.487 1.00 0.00 C ATOM 1027 O ALA A 67 5.231 -7.982 0.025 1.00 0.00 O ATOM 1028 CB ALA A 67 6.659 -6.657 -2.601 1.00 0.00 C ATOM 0 H ALA A 67 4.903 -8.220 -3.317 1.00 0.00 H new ATOM 0 HA ALA A 67 7.437 -8.609 -2.196 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.493 -6.135 -2.131 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.841 -6.741 -3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.739 -6.097 -2.433 1.00 0.00 H new ATOM 1034 N ASP A 68 7.463 -7.834 0.215 1.00 0.00 N ATOM 1035 CA ASP A 68 7.457 -7.806 1.669 1.00 0.00 C ATOM 1036 C ASP A 68 7.835 -6.426 2.190 1.00 0.00 C ATOM 1037 O ASP A 68 7.451 -6.035 3.290 1.00 0.00 O ATOM 1038 CB ASP A 68 8.415 -8.863 2.221 1.00 0.00 C ATOM 1039 CG ASP A 68 7.932 -10.277 1.967 1.00 0.00 C ATOM 1040 OD1 ASP A 68 6.969 -10.714 2.637 1.00 0.00 O ATOM 1041 OD2 ASP A 68 8.523 -10.969 1.107 1.00 0.00 O ATOM 0 H ASP A 68 8.391 -7.757 -0.202 1.00 0.00 H new ATOM 0 HA ASP A 68 6.447 -8.031 2.010 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.397 -8.731 1.766 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.538 -8.712 3.294 1.00 0.00 H new ATOM 1046 N VAL A 69 8.608 -5.692 1.408 1.00 0.00 N ATOM 1047 CA VAL A 69 8.951 -4.316 1.749 1.00 0.00 C ATOM 1048 C VAL A 69 8.593 -3.394 0.596 1.00 0.00 C ATOM 1049 O VAL A 69 8.807 -3.735 -0.567 1.00 0.00 O ATOM 1050 CB VAL A 69 10.455 -4.154 2.076 1.00 0.00 C ATOM 1051 CG1 VAL A 69 10.818 -2.692 2.310 1.00 0.00 C ATOM 1052 CG2 VAL A 69 10.830 -4.978 3.292 1.00 0.00 C ATOM 0 H VAL A 69 9.012 -6.023 0.532 1.00 0.00 H new ATOM 0 HA VAL A 69 8.380 -4.052 2.639 1.00 0.00 H new ATOM 0 HB VAL A 69 11.018 -4.514 1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 69 11.881 -2.613 2.537 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.595 -2.114 1.413 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.238 -2.303 3.147 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.891 -4.850 3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 69 10.245 -4.647 4.150 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.623 -6.030 3.096 1.00 0.00 H new ATOM 1062 N VAL A 70 8.031 -2.238 0.906 1.00 0.00 N ATOM 1063 CA VAL A 70 7.739 -1.260 -0.120 1.00 0.00 C ATOM 1064 C VAL A 70 8.409 0.065 0.219 1.00 0.00 C ATOM 1065 O VAL A 70 8.493 0.448 1.387 1.00 0.00 O ATOM 1066 CB VAL A 70 6.215 -1.061 -0.302 1.00 0.00 C ATOM 1067 CG1 VAL A 70 5.566 -2.321 -0.852 1.00 0.00 C ATOM 1068 CG2 VAL A 70 5.553 -0.663 1.006 1.00 0.00 C ATOM 0 H VAL A 70 7.771 -1.958 1.852 1.00 0.00 H new ATOM 0 HA VAL A 70 8.137 -1.634 -1.063 1.00 0.00 H new ATOM 0 HB VAL A 70 6.073 -0.253 -1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.495 -2.156 -0.971 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.006 -2.564 -1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.731 -3.147 -0.160 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.483 -0.530 0.847 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.715 -1.444 1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.985 0.272 1.363 1.00 0.00 H new ATOM 1078 N VAL A 71 8.910 0.747 -0.800 1.00 0.00 N ATOM 1079 CA VAL A 71 9.567 2.031 -0.612 1.00 0.00 C ATOM 1080 C VAL A 71 8.983 3.061 -1.565 1.00 0.00 C ATOM 1081 O VAL A 71 9.261 3.043 -2.765 1.00 0.00 O ATOM 1082 CB VAL A 71 11.094 1.939 -0.842 1.00 0.00 C ATOM 1083 CG1 VAL A 71 11.764 3.284 -0.591 1.00 0.00 C ATOM 1084 CG2 VAL A 71 11.714 0.866 0.039 1.00 0.00 C ATOM 0 H VAL A 71 8.874 0.431 -1.769 1.00 0.00 H new ATOM 0 HA VAL A 71 9.394 2.333 0.421 1.00 0.00 H new ATOM 0 HB VAL A 71 11.257 1.663 -1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.837 3.193 -0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.352 4.029 -1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.583 3.594 0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.788 0.822 -0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.532 1.106 1.087 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.267 -0.100 -0.195 1.00 0.00 H new ATOM 1094 N LEU A 72 8.154 3.941 -1.031 1.00 0.00 N ATOM 1095 CA LEU A 72 7.533 4.979 -1.835 1.00 0.00 C ATOM 1096 C LEU A 72 8.510 6.131 -2.046 1.00 0.00 C ATOM 1097 O LEU A 72 8.560 7.063 -1.243 1.00 0.00 O ATOM 1098 CB LEU A 72 6.255 5.496 -1.160 1.00 0.00 C ATOM 1099 CG LEU A 72 5.173 4.447 -0.903 1.00 0.00 C ATOM 1100 CD1 LEU A 72 4.006 5.063 -0.149 1.00 0.00 C ATOM 1101 CD2 LEU A 72 4.693 3.836 -2.210 1.00 0.00 C ATOM 0 H LEU A 72 7.895 3.958 -0.044 1.00 0.00 H new ATOM 0 HA LEU A 72 7.267 4.552 -2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.527 5.952 -0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.831 6.285 -1.781 1.00 0.00 H new ATOM 0 HG LEU A 72 5.605 3.654 -0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.244 4.303 0.026 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.356 5.453 0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.580 5.875 -0.738 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.923 3.092 -2.003 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.280 4.618 -2.847 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.531 3.359 -2.718 1.00 0.00 H new ATOM 1113 N THR A 73 9.323 6.039 -3.092 1.00 0.00 N ATOM 1114 CA THR A 73 10.275 7.095 -3.404 1.00 0.00 C ATOM 1115 C THR A 73 9.563 8.298 -4.019 1.00 0.00 C ATOM 1116 O THR A 73 9.894 9.448 -3.718 1.00 0.00 O ATOM 1117 CB THR A 73 11.378 6.590 -4.357 1.00 0.00 C ATOM 1118 OG1 THR A 73 10.798 5.833 -5.428 1.00 0.00 O ATOM 1119 CG2 THR A 73 12.388 5.726 -3.615 1.00 0.00 C ATOM 0 H THR A 73 9.341 5.247 -3.735 1.00 0.00 H new ATOM 0 HA THR A 73 10.745 7.402 -2.470 1.00 0.00 H new ATOM 0 HB THR A 73 11.894 7.460 -4.763 1.00 0.00 H new ATOM 0 HG1 THR A 73 9.825 5.949 -5.421 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.154 5.383 -4.310 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.853 6.311 -2.821 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.881 4.864 -3.181 1.00 0.00 H new ATOM 1127 N SER A 74 8.579 8.010 -4.867 1.00 0.00 N ATOM 1128 CA SER A 74 7.752 9.029 -5.509 1.00 0.00 C ATOM 1129 C SER A 74 8.595 9.997 -6.347 1.00 0.00 C ATOM 1130 O SER A 74 9.788 9.773 -6.567 1.00 0.00 O ATOM 1131 CB SER A 74 6.934 9.781 -4.453 1.00 0.00 C ATOM 1132 OG SER A 74 6.148 8.880 -3.686 1.00 0.00 O ATOM 0 H SER A 74 8.331 7.056 -5.130 1.00 0.00 H new ATOM 0 HA SER A 74 7.067 8.529 -6.194 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.603 10.336 -3.796 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.287 10.511 -4.940 1.00 0.00 H new ATOM 0 HG SER A 74 5.636 9.381 -3.017 1.00 0.00 H new ATOM 1138 N GLY A 75 7.960 11.052 -6.839 1.00 0.00 N ATOM 1139 CA GLY A 75 8.659 12.040 -7.630 1.00 0.00 C ATOM 1140 C GLY A 75 8.370 13.444 -7.146 1.00 0.00 C ATOM 1141 O GLY A 75 8.245 13.677 -5.944 1.00 0.00 O ATOM 0 H GLY A 75 6.967 11.240 -6.702 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.732 11.852 -7.584 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.364 11.946 -8.675 1.00 0.00 H new ATOM 1145 N GLN A 76 8.240 14.375 -8.074 1.00 0.00 N ATOM 1146 CA GLN A 76 7.979 15.767 -7.729 1.00 0.00 C ATOM 1147 C GLN A 76 6.734 16.279 -8.445 1.00 0.00 C ATOM 1148 O GLN A 76 6.725 17.378 -9.006 1.00 0.00 O ATOM 1149 CB GLN A 76 9.187 16.642 -8.079 1.00 0.00 C ATOM 1150 CG GLN A 76 10.464 16.248 -7.352 1.00 0.00 C ATOM 1151 CD GLN A 76 11.563 17.287 -7.492 1.00 0.00 C ATOM 1152 OE1 GLN A 76 11.686 18.193 -6.665 1.00 0.00 O ATOM 1153 NE2 GLN A 76 12.367 17.163 -8.534 1.00 0.00 N ATOM 0 H GLN A 76 8.311 14.195 -9.075 1.00 0.00 H new ATOM 0 HA GLN A 76 7.805 15.822 -6.654 1.00 0.00 H new ATOM 0 HB2 GLN A 76 9.362 16.590 -9.154 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.952 17.680 -7.844 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.244 16.098 -6.295 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.820 15.294 -7.742 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.231 16.398 -9.195 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.124 17.832 -8.677 1.00 0.00 H new ATOM 1162 N THR A 77 5.673 15.484 -8.418 1.00 0.00 N ATOM 1163 CA THR A 77 4.423 15.852 -9.056 1.00 0.00 C ATOM 1164 C THR A 77 3.252 15.137 -8.391 1.00 0.00 C ATOM 1165 O THR A 77 3.038 13.943 -8.594 1.00 0.00 O ATOM 1166 CB THR A 77 4.430 15.535 -10.570 1.00 0.00 C ATOM 1167 OG1 THR A 77 5.492 16.247 -11.215 1.00 0.00 O ATOM 1168 CG2 THR A 77 3.107 15.918 -11.219 1.00 0.00 C ATOM 0 H THR A 77 5.657 14.574 -7.957 1.00 0.00 H new ATOM 0 HA THR A 77 4.309 16.929 -8.937 1.00 0.00 H new ATOM 0 HB THR A 77 4.578 14.461 -10.685 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.490 16.040 -12.173 1.00 0.00 H new ATOM 0 HG21 THR A 77 3.142 15.683 -12.283 1.00 0.00 H new ATOM 0 HG22 THR A 77 2.297 15.359 -10.751 1.00 0.00 H new ATOM 0 HG23 THR A 77 2.934 16.986 -11.089 1.00 0.00 H new ATOM 1176 N GLU A 78 2.531 15.872 -7.563 1.00 0.00 N ATOM 1177 CA GLU A 78 1.303 15.378 -6.949 1.00 0.00 C ATOM 1178 C GLU A 78 0.101 15.751 -7.805 1.00 0.00 C ATOM 1179 O GLU A 78 -0.955 15.132 -7.715 1.00 0.00 O ATOM 1180 CB GLU A 78 1.124 15.970 -5.554 1.00 0.00 C ATOM 1181 CG GLU A 78 2.131 15.474 -4.531 1.00 0.00 C ATOM 1182 CD GLU A 78 1.962 16.154 -3.185 1.00 0.00 C ATOM 1183 OE1 GLU A 78 2.442 17.298 -3.032 1.00 0.00 O ATOM 1184 OE2 GLU A 78 1.338 15.557 -2.280 1.00 0.00 O ATOM 0 H GLU A 78 2.776 16.825 -7.296 1.00 0.00 H new ATOM 0 HA GLU A 78 1.376 14.293 -6.872 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.196 17.056 -5.621 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.120 15.738 -5.200 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.021 14.397 -4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.141 15.651 -4.902 1.00 0.00 H new ATOM 1191 N ASN A 79 0.289 16.778 -8.629 1.00 0.00 N ATOM 1192 CA ASN A 79 -0.760 17.312 -9.485 1.00 0.00 C ATOM 1193 C ASN A 79 -1.409 16.225 -10.346 1.00 0.00 C ATOM 1194 O ASN A 79 -2.605 15.956 -10.219 1.00 0.00 O ATOM 1195 CB ASN A 79 -0.156 18.397 -10.372 1.00 0.00 C ATOM 1196 CG ASN A 79 -1.143 18.976 -11.356 1.00 0.00 C ATOM 1197 OD1 ASN A 79 -2.334 19.090 -11.078 1.00 0.00 O ATOM 1198 ND2 ASN A 79 -0.652 19.331 -12.524 1.00 0.00 N ATOM 0 H ASN A 79 1.181 17.265 -8.720 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.546 17.727 -8.855 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.232 19.198 -9.743 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.691 17.982 -10.918 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -1.267 19.718 -13.240 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.344 19.219 -12.714 1.00 0.00 H new ATOM 1205 N LYS A 80 -0.622 15.613 -11.225 1.00 0.00 N ATOM 1206 CA LYS A 80 -1.121 14.530 -12.068 1.00 0.00 C ATOM 1207 C LYS A 80 -0.353 13.246 -11.784 1.00 0.00 C ATOM 1208 O LYS A 80 -0.490 12.247 -12.489 1.00 0.00 O ATOM 1209 CB LYS A 80 -1.018 14.913 -13.548 1.00 0.00 C ATOM 1210 CG LYS A 80 0.403 15.153 -14.032 1.00 0.00 C ATOM 1211 CD LYS A 80 0.423 15.624 -15.479 1.00 0.00 C ATOM 1212 CE LYS A 80 -0.230 14.611 -16.408 1.00 0.00 C ATOM 1213 NZ LYS A 80 -0.323 15.116 -17.802 1.00 0.00 N ATOM 0 H LYS A 80 0.360 15.846 -11.373 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.172 14.359 -11.835 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.466 14.121 -14.149 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.606 15.815 -13.720 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.884 15.898 -13.398 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.981 14.234 -13.939 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.097 16.579 -15.558 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.453 15.795 -15.792 1.00 0.00 H new ATOM 0 HE2 LYS A 80 0.344 13.684 -16.395 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.228 14.373 -16.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.774 14.396 -18.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.892 15.986 -17.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.631 15.319 -18.162 1.00 0.00 H new ATOM 1227 N ILE A 81 0.429 13.297 -10.709 1.00 0.00 N ATOM 1228 CA ILE A 81 1.236 12.171 -10.242 1.00 0.00 C ATOM 1229 C ILE A 81 2.399 11.863 -11.189 1.00 0.00 C ATOM 1230 O ILE A 81 2.352 12.130 -12.392 1.00 0.00 O ATOM 1231 CB ILE A 81 0.392 10.894 -10.038 1.00 0.00 C ATOM 1232 CG1 ILE A 81 -0.914 11.220 -9.311 1.00 0.00 C ATOM 1233 CG2 ILE A 81 1.175 9.858 -9.245 1.00 0.00 C ATOM 1234 CD1 ILE A 81 -1.837 10.031 -9.162 1.00 0.00 C ATOM 0 H ILE A 81 0.522 14.131 -10.130 1.00 0.00 H new ATOM 0 HA ILE A 81 1.641 12.479 -9.278 1.00 0.00 H new ATOM 0 HB ILE A 81 0.156 10.486 -11.021 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.681 11.615 -8.322 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.435 12.008 -9.854 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.565 8.965 -9.111 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.085 9.598 -9.785 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.437 10.268 -8.270 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.742 10.337 -8.638 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.100 9.649 -10.148 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.334 9.249 -8.593 1.00 0.00 H new ATOM 1246 N HIS A 82 3.444 11.304 -10.608 1.00 0.00 N ATOM 1247 CA HIS A 82 4.643 10.891 -11.323 1.00 0.00 C ATOM 1248 C HIS A 82 5.556 10.206 -10.320 1.00 0.00 C ATOM 1249 O HIS A 82 6.759 10.466 -10.255 1.00 0.00 O ATOM 1250 CB HIS A 82 5.356 12.096 -11.957 1.00 0.00 C ATOM 1251 CG HIS A 82 6.306 11.723 -13.056 1.00 0.00 C ATOM 1252 ND1 HIS A 82 7.671 11.645 -12.888 1.00 0.00 N ATOM 1253 CD2 HIS A 82 6.071 11.404 -14.349 1.00 0.00 C ATOM 1254 CE1 HIS A 82 8.232 11.296 -14.032 1.00 0.00 C ATOM 1255 NE2 HIS A 82 7.282 11.144 -14.934 1.00 0.00 N ATOM 0 H HIS A 82 3.487 11.119 -9.606 1.00 0.00 H new ATOM 0 HA HIS A 82 4.378 10.213 -12.135 1.00 0.00 H new ATOM 0 HB2 HIS A 82 4.608 12.783 -12.353 1.00 0.00 H new ATOM 0 HB3 HIS A 82 5.903 12.633 -11.182 1.00 0.00 H new ATOM 0 HD2 HIS A 82 5.106 11.362 -14.832 1.00 0.00 H new ATOM 0 HE1 HIS A 82 9.290 11.158 -14.200 1.00 0.00 H new ATOM 0 HE2 HIS A 82 7.425 10.877 -15.908 1.00 0.00 H new ATOM 1264 N GLY A 83 4.959 9.333 -9.521 1.00 0.00 N ATOM 1265 CA GLY A 83 5.668 8.735 -8.413 1.00 0.00 C ATOM 1266 C GLY A 83 6.060 7.302 -8.676 1.00 0.00 C ATOM 1267 O GLY A 83 5.347 6.563 -9.361 1.00 0.00 O ATOM 0 H GLY A 83 3.991 9.028 -9.623 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.564 9.319 -8.203 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.043 8.778 -7.521 1.00 0.00 H new ATOM 1271 N THR A 84 7.200 6.920 -8.134 1.00 0.00 N ATOM 1272 CA THR A 84 7.697 5.567 -8.249 1.00 0.00 C ATOM 1273 C THR A 84 7.773 4.921 -6.873 1.00 0.00 C ATOM 1274 O THR A 84 7.920 5.613 -5.865 1.00 0.00 O ATOM 1275 CB THR A 84 9.104 5.553 -8.881 1.00 0.00 C ATOM 1276 OG1 THR A 84 9.984 6.427 -8.149 1.00 0.00 O ATOM 1277 CG2 THR A 84 9.051 5.988 -10.335 1.00 0.00 C ATOM 0 H THR A 84 7.807 7.542 -7.601 1.00 0.00 H new ATOM 0 HA THR A 84 7.010 5.009 -8.886 1.00 0.00 H new ATOM 0 HB THR A 84 9.484 4.532 -8.836 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.165 6.044 -7.265 1.00 0.00 H new ATOM 0 HG21 THR A 84 10.056 5.969 -10.757 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.409 5.308 -10.895 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.650 6.999 -10.398 1.00 0.00 H new ATOM 1285 N ALA A 85 7.673 3.610 -6.821 1.00 0.00 N ATOM 1286 CA ALA A 85 7.874 2.890 -5.578 1.00 0.00 C ATOM 1287 C ALA A 85 8.716 1.660 -5.841 1.00 0.00 C ATOM 1288 O ALA A 85 8.456 0.915 -6.776 1.00 0.00 O ATOM 1289 CB ALA A 85 6.541 2.509 -4.953 1.00 0.00 C ATOM 0 H ALA A 85 7.454 3.020 -7.623 1.00 0.00 H new ATOM 0 HA ALA A 85 8.397 3.536 -4.872 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.716 1.970 -4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.965 3.411 -4.747 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.985 1.873 -5.641 1.00 0.00 H new ATOM 1295 N ASP A 86 9.727 1.448 -5.026 1.00 0.00 N ATOM 1296 CA ASP A 86 10.625 0.321 -5.230 1.00 0.00 C ATOM 1297 C ASP A 86 10.386 -0.718 -4.152 1.00 0.00 C ATOM 1298 O ASP A 86 10.396 -0.404 -2.961 1.00 0.00 O ATOM 1299 CB ASP A 86 12.077 0.788 -5.230 1.00 0.00 C ATOM 1300 CG ASP A 86 13.026 -0.266 -5.751 1.00 0.00 C ATOM 1301 OD1 ASP A 86 12.966 -0.582 -6.959 1.00 0.00 O ATOM 1302 OD2 ASP A 86 13.861 -0.763 -4.973 1.00 0.00 O ATOM 0 H ASP A 86 9.951 2.033 -4.221 1.00 0.00 H new ATOM 0 HA ASP A 86 10.423 -0.130 -6.201 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.166 1.686 -5.841 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.366 1.063 -4.216 1.00 0.00 H new ATOM 1307 N ILE A 87 10.141 -1.946 -4.570 1.00 0.00 N ATOM 1308 CA ILE A 87 9.691 -2.973 -3.643 1.00 0.00 C ATOM 1309 C ILE A 87 10.699 -4.109 -3.498 1.00 0.00 C ATOM 1310 O ILE A 87 11.495 -4.390 -4.402 1.00 0.00 O ATOM 1311 CB ILE A 87 8.318 -3.536 -4.068 1.00 0.00 C ATOM 1312 CG1 ILE A 87 8.372 -4.066 -5.504 1.00 0.00 C ATOM 1313 CG2 ILE A 87 7.254 -2.456 -3.941 1.00 0.00 C ATOM 1314 CD1 ILE A 87 7.051 -4.615 -6.002 1.00 0.00 C ATOM 0 H ILE A 87 10.244 -2.257 -5.536 1.00 0.00 H new ATOM 0 HA ILE A 87 9.595 -2.493 -2.669 1.00 0.00 H new ATOM 0 HB ILE A 87 8.061 -4.366 -3.409 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.694 -3.262 -6.166 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.127 -4.850 -5.564 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.288 -2.860 -4.243 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.199 -2.119 -2.906 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.512 -1.614 -4.584 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.168 -4.971 -7.025 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.736 -5.441 -5.364 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.297 -3.828 -5.976 1.00 0.00 H new ATOM 1326 N TYR A 88 10.648 -4.762 -2.346 1.00 0.00 N ATOM 1327 CA TYR A 88 11.576 -5.834 -2.011 1.00 0.00 C ATOM 1328 C TYR A 88 10.832 -7.037 -1.445 1.00 0.00 C ATOM 1329 O TYR A 88 9.740 -6.909 -0.896 1.00 0.00 O ATOM 1330 CB TYR A 88 12.606 -5.356 -0.979 1.00 0.00 C ATOM 1331 CG TYR A 88 13.646 -4.401 -1.523 1.00 0.00 C ATOM 1332 CD1 TYR A 88 13.309 -3.098 -1.862 1.00 0.00 C ATOM 1333 CD2 TYR A 88 14.967 -4.804 -1.692 1.00 0.00 C ATOM 1334 CE1 TYR A 88 14.254 -2.224 -2.357 1.00 0.00 C ATOM 1335 CE2 TYR A 88 15.919 -3.933 -2.185 1.00 0.00 C ATOM 1336 CZ TYR A 88 15.557 -2.645 -2.519 1.00 0.00 C ATOM 1337 OH TYR A 88 16.503 -1.771 -3.008 1.00 0.00 O ATOM 0 H TYR A 88 9.963 -4.564 -1.617 1.00 0.00 H new ATOM 0 HA TYR A 88 12.088 -6.124 -2.929 1.00 0.00 H new ATOM 0 HB2 TYR A 88 12.079 -4.870 -0.158 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.113 -6.226 -0.562 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.290 -2.763 -1.736 1.00 0.00 H new ATOM 0 HD2 TYR A 88 15.252 -5.813 -1.434 1.00 0.00 H new ATOM 0 HE1 TYR A 88 13.975 -1.214 -2.617 1.00 0.00 H new ATOM 0 HE2 TYR A 88 16.941 -4.259 -2.308 1.00 0.00 H new ATOM 0 HH TYR A 88 17.371 -2.224 -3.060 1.00 0.00 H new ATOM 1347 N LYS A 89 11.443 -8.199 -1.583 1.00 0.00 N ATOM 1348 CA LYS A 89 10.929 -9.436 -1.011 1.00 0.00 C ATOM 1349 C LYS A 89 11.853 -9.901 0.098 1.00 0.00 C ATOM 1350 O LYS A 89 13.039 -9.586 0.078 1.00 0.00 O ATOM 1351 CB LYS A 89 10.878 -10.525 -2.081 1.00 0.00 C ATOM 1352 CG LYS A 89 9.743 -10.393 -3.069 1.00 0.00 C ATOM 1353 CD LYS A 89 8.438 -10.892 -2.486 1.00 0.00 C ATOM 1354 CE LYS A 89 8.557 -12.321 -1.969 1.00 0.00 C ATOM 1355 NZ LYS A 89 7.241 -12.863 -1.544 1.00 0.00 N ATOM 0 H LYS A 89 12.316 -8.315 -2.098 1.00 0.00 H new ATOM 0 HA LYS A 89 9.928 -9.252 -0.621 1.00 0.00 H new ATOM 0 HB2 LYS A 89 11.820 -10.520 -2.629 1.00 0.00 H new ATOM 0 HB3 LYS A 89 10.801 -11.494 -1.589 1.00 0.00 H new ATOM 0 HG2 LYS A 89 9.635 -9.349 -3.364 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.978 -10.956 -3.972 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.129 -10.236 -1.672 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.659 -10.845 -3.247 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.978 -12.956 -2.749 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.250 -12.347 -1.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.317 -13.242 -0.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.531 -12.104 -1.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.953 -13.623 -2.193 1.00 0.00 H new ATOM 1369 N LYS A 90 11.326 -10.645 1.056 1.00 0.00 N ATOM 1370 CA LYS A 90 12.160 -11.216 2.087 1.00 0.00 C ATOM 1371 C LYS A 90 12.821 -12.480 1.565 1.00 0.00 C ATOM 1372 O LYS A 90 12.354 -13.088 0.600 1.00 0.00 O ATOM 1373 CB LYS A 90 11.348 -11.508 3.346 1.00 0.00 C ATOM 1374 CG LYS A 90 10.338 -12.633 3.197 1.00 0.00 C ATOM 1375 CD LYS A 90 9.324 -12.611 4.329 1.00 0.00 C ATOM 1376 CE LYS A 90 8.182 -13.589 4.091 1.00 0.00 C ATOM 1377 NZ LYS A 90 7.460 -13.304 2.819 1.00 0.00 N ATOM 0 H LYS A 90 10.333 -10.863 1.137 1.00 0.00 H new ATOM 0 HA LYS A 90 12.933 -10.496 2.354 1.00 0.00 H new ATOM 0 HB2 LYS A 90 12.034 -11.757 4.156 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.821 -10.601 3.642 1.00 0.00 H new ATOM 0 HG2 LYS A 90 9.823 -12.539 2.241 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.856 -13.592 3.187 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.822 -12.857 5.267 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.922 -11.603 4.436 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.574 -14.606 4.065 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.482 -13.539 4.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.680 -13.982 2.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.078 -12.337 2.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.118 -13.394 2.019 1.00 0.00 H new ATOM 1391 N LYS A 91 13.904 -12.864 2.203 1.00 0.00 N ATOM 1392 CA LYS A 91 14.683 -14.013 1.765 1.00 0.00 C ATOM 1393 C LYS A 91 14.456 -15.205 2.675 1.00 0.00 C ATOM 1394 O LYS A 91 13.682 -15.130 3.633 1.00 0.00 O ATOM 1395 CB LYS A 91 16.169 -13.683 1.739 1.00 0.00 C ATOM 1396 CG LYS A 91 16.547 -12.571 0.783 1.00 0.00 C ATOM 1397 CD LYS A 91 18.043 -12.570 0.553 1.00 0.00 C ATOM 1398 CE LYS A 91 18.403 -13.455 -0.629 1.00 0.00 C ATOM 1399 NZ LYS A 91 19.849 -13.781 -0.663 1.00 0.00 N ATOM 0 H LYS A 91 14.271 -12.398 3.032 1.00 0.00 H new ATOM 0 HA LYS A 91 14.351 -14.264 0.758 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.484 -13.404 2.744 1.00 0.00 H new ATOM 0 HB3 LYS A 91 16.724 -14.582 1.469 1.00 0.00 H new ATOM 0 HG2 LYS A 91 16.025 -12.703 -0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.233 -11.609 1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 91 18.388 -11.552 0.370 1.00 0.00 H new ATOM 0 HD3 LYS A 91 18.554 -12.924 1.448 1.00 0.00 H new ATOM 0 HE2 LYS A 91 17.825 -14.378 -0.579 1.00 0.00 H new ATOM 0 HE3 LYS A 91 18.123 -12.953 -1.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.046 -14.400 -1.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 20.401 -12.904 -0.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 20.116 -14.268 0.216 1.00 0.00 H new ATOM 1413 N LEU A 92 15.169 -16.286 2.396 1.00 0.00 N ATOM 1414 CA LEU A 92 15.010 -17.522 3.151 1.00 0.00 C ATOM 1415 C LEU A 92 16.112 -17.686 4.194 1.00 0.00 C ATOM 1416 O LEU A 92 16.079 -18.618 4.996 1.00 0.00 O ATOM 1417 CB LEU A 92 14.959 -18.734 2.203 1.00 0.00 C ATOM 1418 CG LEU A 92 16.144 -18.895 1.238 1.00 0.00 C ATOM 1419 CD1 LEU A 92 17.340 -19.538 1.929 1.00 0.00 C ATOM 1420 CD2 LEU A 92 15.727 -19.710 0.022 1.00 0.00 C ATOM 0 H LEU A 92 15.865 -16.333 1.651 1.00 0.00 H new ATOM 0 HA LEU A 92 14.062 -17.467 3.686 1.00 0.00 H new ATOM 0 HB2 LEU A 92 14.885 -19.638 2.807 1.00 0.00 H new ATOM 0 HB3 LEU A 92 14.044 -18.669 1.614 1.00 0.00 H new ATOM 0 HG LEU A 92 16.447 -17.901 0.909 1.00 0.00 H new ATOM 0 HD11 LEU A 92 18.161 -19.637 1.218 1.00 0.00 H new ATOM 0 HD12 LEU A 92 17.657 -18.913 2.764 1.00 0.00 H new ATOM 0 HD13 LEU A 92 17.059 -20.524 2.299 1.00 0.00 H new ATOM 0 HD21 LEU A 92 16.576 -19.816 -0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 92 15.393 -20.697 0.343 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.913 -19.201 -0.495 1.00 0.00 H new ATOM 1432 N GLU A 93 17.085 -16.774 4.189 1.00 0.00 N ATOM 1433 CA GLU A 93 18.186 -16.827 5.152 1.00 0.00 C ATOM 1434 C GLU A 93 17.776 -16.235 6.495 1.00 0.00 C ATOM 1435 O GLU A 93 18.615 -15.962 7.352 1.00 0.00 O ATOM 1436 CB GLU A 93 19.429 -16.101 4.631 1.00 0.00 C ATOM 1437 CG GLU A 93 19.944 -16.627 3.303 1.00 0.00 C ATOM 1438 CD GLU A 93 19.429 -15.826 2.131 1.00 0.00 C ATOM 1439 OE1 GLU A 93 18.291 -16.075 1.686 1.00 0.00 O ATOM 1440 OE2 GLU A 93 20.164 -14.935 1.656 1.00 0.00 O ATOM 0 H GLU A 93 17.134 -15.994 3.533 1.00 0.00 H new ATOM 0 HA GLU A 93 18.431 -17.880 5.289 1.00 0.00 H new ATOM 0 HB2 GLU A 93 19.199 -15.041 4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 93 20.222 -16.183 5.374 1.00 0.00 H new ATOM 0 HG2 GLU A 93 21.034 -16.605 3.304 1.00 0.00 H new ATOM 0 HG3 GLU A 93 19.646 -17.669 3.187 1.00 0.00 H new