USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=25 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 46 THR OG1 : rot 180:sc= -0.152 USER MOD Set 1.2: A 82 HIS : no HD1:sc= 0 X(o=-0.15,f=-0.15) USER MOD Set 2.1: A 37 TYR OH : rot 120:sc= 0.744 USER MOD Set 2.2: A 90 LYS NZ :NH3+ 146:sc= 2.09 (180deg=-0.515) USER MOD Single : A 25 MET CE :methyl 135:sc= -2.03! (180deg=-4.83!) USER MOD Single : A 26 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.068) USER MOD Single : A 27 LYS NZ :NH3+ -152:sc= -1.21 (180deg=-2.87!) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0553 USER MOD Single : A 32 LYS NZ :NH3+ -154:sc= 1.3 (180deg=1.17) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.142 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.51! USER MOD Single : A 49 MET CE :methyl 167:sc= -0.0463 (180deg=-0.394) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -124:sc= 1.22 (180deg=-0.277) USER MOD Single : A 61 LYS NZ :NH3+ -116:sc= 0.849 (180deg=-0.966!) USER MOD Single : A 65 LYS NZ :NH3+ 135:sc= 0.141 (180deg=0) USER MOD Single : A 73 THR OG1 : rot -124:sc= 1.34 USER MOD Single : A 74 SER OG : rot 50:sc= 1.97 USER MOD Single : A 76 GLN : amide:sc= -1.96! C(o=-2!,f=-10!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.546! K(o=-0.55!,f=-0.017) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0755) USER MOD Single : A 91 LYS NZ :NH3+ -177:sc= 2.5 (180deg=2.46) USER MOD ----------------------------------------------------------------- ATOM 328 N ALA A 22 3.849 -7.003 3.527 1.00 0.00 N ATOM 329 CA ALA A 22 4.279 -5.674 3.096 1.00 0.00 C ATOM 330 C ALA A 22 4.214 -4.651 4.225 1.00 0.00 C ATOM 331 O ALA A 22 3.145 -4.380 4.780 1.00 0.00 O ATOM 332 CB ALA A 22 3.442 -5.212 1.914 1.00 0.00 C ATOM 0 HA ALA A 22 5.323 -5.751 2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.770 -4.221 1.601 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.562 -5.912 1.087 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.392 -5.171 2.205 1.00 0.00 H new ATOM 338 N GLU A 23 5.372 -4.106 4.565 1.00 0.00 N ATOM 339 CA GLU A 23 5.487 -3.095 5.602 1.00 0.00 C ATOM 340 C GLU A 23 6.481 -2.020 5.164 1.00 0.00 C ATOM 341 O GLU A 23 7.362 -2.278 4.341 1.00 0.00 O ATOM 342 CB GLU A 23 5.951 -3.738 6.913 1.00 0.00 C ATOM 343 CG GLU A 23 5.856 -2.818 8.118 1.00 0.00 C ATOM 344 CD GLU A 23 6.424 -3.447 9.370 1.00 0.00 C ATOM 345 OE1 GLU A 23 6.237 -4.669 9.564 1.00 0.00 O ATOM 346 OE2 GLU A 23 7.045 -2.722 10.176 1.00 0.00 O ATOM 0 H GLU A 23 6.260 -4.354 4.128 1.00 0.00 H new ATOM 0 HA GLU A 23 4.512 -2.635 5.763 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.352 -4.629 7.101 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.984 -4.066 6.799 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.389 -1.891 7.907 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.812 -2.554 8.289 1.00 0.00 H new ATOM 353 N ILE A 24 6.331 -0.816 5.694 1.00 0.00 N ATOM 354 CA ILE A 24 7.253 0.271 5.392 1.00 0.00 C ATOM 355 C ILE A 24 8.379 0.313 6.427 1.00 0.00 C ATOM 356 O ILE A 24 8.125 0.366 7.631 1.00 0.00 O ATOM 357 CB ILE A 24 6.528 1.636 5.372 1.00 0.00 C ATOM 358 CG1 ILE A 24 5.337 1.599 4.407 1.00 0.00 C ATOM 359 CG2 ILE A 24 7.497 2.744 4.982 1.00 0.00 C ATOM 360 CD1 ILE A 24 5.715 1.296 2.969 1.00 0.00 C ATOM 0 H ILE A 24 5.579 -0.565 6.336 1.00 0.00 H new ATOM 0 HA ILE A 24 7.669 0.084 4.402 1.00 0.00 H new ATOM 0 HB ILE A 24 6.151 1.842 6.374 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.627 0.847 4.751 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.825 2.560 4.442 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.972 3.699 4.972 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.312 2.785 5.704 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.901 2.542 3.990 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.817 1.288 2.351 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.400 2.061 2.604 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.200 0.321 2.918 1.00 0.00 H new ATOM 372 N MET A 25 9.620 0.272 5.959 1.00 0.00 N ATOM 373 CA MET A 25 10.777 0.319 6.848 1.00 0.00 C ATOM 374 C MET A 25 11.358 1.725 6.900 1.00 0.00 C ATOM 375 O MET A 25 11.173 2.514 5.970 1.00 0.00 O ATOM 376 CB MET A 25 11.862 -0.656 6.381 1.00 0.00 C ATOM 377 CG MET A 25 11.527 -2.130 6.563 1.00 0.00 C ATOM 378 SD MET A 25 11.666 -2.699 8.272 1.00 0.00 S ATOM 379 CE MET A 25 10.145 -2.072 8.980 1.00 0.00 C ATOM 0 H MET A 25 9.853 0.206 4.968 1.00 0.00 H new ATOM 0 HA MET A 25 10.440 0.030 7.844 1.00 0.00 H new ATOM 0 HB2 MET A 25 12.064 -0.473 5.326 1.00 0.00 H new ATOM 0 HB3 MET A 25 12.782 -0.439 6.924 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.511 -2.309 6.211 1.00 0.00 H new ATOM 0 HG3 MET A 25 12.191 -2.725 5.936 1.00 0.00 H new ATOM 0 HE1 MET A 25 9.680 -2.848 9.589 1.00 0.00 H new ATOM 0 HE2 MET A 25 10.364 -1.205 9.603 1.00 0.00 H new ATOM 0 HE3 MET A 25 9.464 -1.782 8.180 1.00 0.00 H new ATOM 389 N LYS A 26 12.060 2.032 7.988 1.00 0.00 N ATOM 390 CA LYS A 26 12.776 3.293 8.101 1.00 0.00 C ATOM 391 C LYS A 26 13.902 3.312 7.078 1.00 0.00 C ATOM 392 O LYS A 26 14.355 2.254 6.654 1.00 0.00 O ATOM 393 CB LYS A 26 13.358 3.453 9.508 1.00 0.00 C ATOM 394 CG LYS A 26 12.353 3.244 10.631 1.00 0.00 C ATOM 395 CD LYS A 26 12.975 3.540 11.985 1.00 0.00 C ATOM 396 CE LYS A 26 12.030 3.204 13.128 1.00 0.00 C ATOM 397 NZ LYS A 26 11.830 1.736 13.283 1.00 0.00 N ATOM 0 H LYS A 26 12.146 1.423 8.802 1.00 0.00 H new ATOM 0 HA LYS A 26 12.086 4.117 7.916 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.176 2.744 9.632 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.785 4.452 9.600 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.489 3.891 10.475 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.990 2.217 10.611 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.896 2.967 12.095 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.247 4.594 12.037 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.426 3.615 14.057 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.067 3.683 12.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.305 1.548 14.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.290 1.372 12.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.755 1.262 13.324 1.00 0.00 H new ATOM 411 N LYS A 27 14.363 4.494 6.693 1.00 0.00 N ATOM 412 CA LYS A 27 15.387 4.608 5.658 1.00 0.00 C ATOM 413 C LYS A 27 16.695 3.964 6.119 1.00 0.00 C ATOM 414 O LYS A 27 17.437 3.387 5.319 1.00 0.00 O ATOM 415 CB LYS A 27 15.617 6.078 5.278 1.00 0.00 C ATOM 416 CG LYS A 27 16.473 6.259 4.031 1.00 0.00 C ATOM 417 CD LYS A 27 15.863 5.572 2.811 1.00 0.00 C ATOM 418 CE LYS A 27 14.759 6.397 2.153 1.00 0.00 C ATOM 419 NZ LYS A 27 13.559 6.568 3.016 1.00 0.00 N ATOM 0 H LYS A 27 14.048 5.384 7.078 1.00 0.00 H new ATOM 0 HA LYS A 27 15.035 4.077 4.774 1.00 0.00 H new ATOM 0 HB2 LYS A 27 14.652 6.559 5.119 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.094 6.590 6.114 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.593 7.323 3.825 1.00 0.00 H new ATOM 0 HG3 LYS A 27 17.469 5.855 4.214 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.648 5.377 2.080 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.458 4.605 3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.154 7.379 1.893 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.462 5.916 1.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.716 6.690 2.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 13.440 5.727 3.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 13.681 7.407 3.618 1.00 0.00 H new ATOM 433 N THR A 28 16.959 4.050 7.416 1.00 0.00 N ATOM 434 CA THR A 28 18.137 3.445 8.004 1.00 0.00 C ATOM 435 C THR A 28 17.966 1.935 8.128 1.00 0.00 C ATOM 436 O THR A 28 18.819 1.167 7.681 1.00 0.00 O ATOM 437 CB THR A 28 18.401 4.060 9.383 1.00 0.00 C ATOM 438 OG1 THR A 28 17.156 4.203 10.084 1.00 0.00 O ATOM 439 CG2 THR A 28 19.072 5.416 9.250 1.00 0.00 C ATOM 0 H THR A 28 16.363 4.540 8.084 1.00 0.00 H new ATOM 0 HA THR A 28 18.989 3.639 7.353 1.00 0.00 H new ATOM 0 HB THR A 28 19.067 3.401 9.939 1.00 0.00 H new ATOM 0 HG1 THR A 28 17.321 4.594 10.967 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.249 5.833 10.241 1.00 0.00 H new ATOM 0 HG22 THR A 28 20.023 5.302 8.729 1.00 0.00 H new ATOM 0 HG23 THR A 28 18.426 6.088 8.684 1.00 0.00 H new ATOM 447 N ASP A 29 16.850 1.521 8.718 1.00 0.00 N ATOM 448 CA ASP A 29 16.514 0.102 8.837 1.00 0.00 C ATOM 449 C ASP A 29 16.480 -0.548 7.464 1.00 0.00 C ATOM 450 O ASP A 29 16.922 -1.673 7.307 1.00 0.00 O ATOM 451 CB ASP A 29 15.155 -0.089 9.522 1.00 0.00 C ATOM 452 CG ASP A 29 15.200 0.129 11.022 1.00 0.00 C ATOM 453 OD1 ASP A 29 15.267 1.296 11.459 1.00 0.00 O ATOM 454 OD2 ASP A 29 15.156 -0.870 11.773 1.00 0.00 O ATOM 0 H ASP A 29 16.157 2.150 9.124 1.00 0.00 H new ATOM 0 HA ASP A 29 17.283 -0.371 9.447 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.435 0.602 9.083 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.793 -1.097 9.320 1.00 0.00 H new ATOM 459 N PHE A 30 15.959 0.173 6.480 1.00 0.00 N ATOM 460 CA PHE A 30 15.903 -0.316 5.106 1.00 0.00 C ATOM 461 C PHE A 30 17.291 -0.694 4.604 1.00 0.00 C ATOM 462 O PHE A 30 17.474 -1.748 4.005 1.00 0.00 O ATOM 463 CB PHE A 30 15.278 0.739 4.186 1.00 0.00 C ATOM 464 CG PHE A 30 15.403 0.417 2.725 1.00 0.00 C ATOM 465 CD1 PHE A 30 14.712 -0.650 2.173 1.00 0.00 C ATOM 466 CD2 PHE A 30 16.226 1.174 1.907 1.00 0.00 C ATOM 467 CE1 PHE A 30 14.838 -0.952 0.832 1.00 0.00 C ATOM 468 CE2 PHE A 30 16.352 0.879 0.565 1.00 0.00 C ATOM 469 CZ PHE A 30 15.659 -0.188 0.027 1.00 0.00 C ATOM 0 H PHE A 30 15.566 1.106 6.608 1.00 0.00 H new ATOM 0 HA PHE A 30 15.279 -1.209 5.092 1.00 0.00 H new ATOM 0 HB2 PHE A 30 14.223 0.847 4.436 1.00 0.00 H new ATOM 0 HB3 PHE A 30 15.751 1.702 4.378 1.00 0.00 H new ATOM 0 HD1 PHE A 30 14.069 -1.251 2.798 1.00 0.00 H new ATOM 0 HD2 PHE A 30 16.775 2.005 2.325 1.00 0.00 H new ATOM 0 HE1 PHE A 30 14.294 -1.786 0.413 1.00 0.00 H new ATOM 0 HE2 PHE A 30 16.991 1.481 -0.064 1.00 0.00 H new ATOM 0 HZ PHE A 30 15.759 -0.424 -1.022 1.00 0.00 H new ATOM 479 N ASP A 31 18.266 0.160 4.870 1.00 0.00 N ATOM 480 CA ASP A 31 19.639 -0.088 4.432 1.00 0.00 C ATOM 481 C ASP A 31 20.224 -1.302 5.148 1.00 0.00 C ATOM 482 O ASP A 31 21.035 -2.046 4.592 1.00 0.00 O ATOM 483 CB ASP A 31 20.498 1.155 4.694 1.00 0.00 C ATOM 484 CG ASP A 31 21.982 0.927 4.464 1.00 0.00 C ATOM 485 OD1 ASP A 31 22.425 0.967 3.298 1.00 0.00 O ATOM 486 OD2 ASP A 31 22.716 0.726 5.457 1.00 0.00 O ATOM 0 H ASP A 31 18.137 1.031 5.386 1.00 0.00 H new ATOM 0 HA ASP A 31 19.634 -0.298 3.362 1.00 0.00 H new ATOM 0 HB2 ASP A 31 20.159 1.964 4.047 1.00 0.00 H new ATOM 0 HB3 ASP A 31 20.344 1.483 5.722 1.00 0.00 H new ATOM 491 N LYS A 32 19.783 -1.507 6.374 1.00 0.00 N ATOM 492 CA LYS A 32 20.271 -2.597 7.200 1.00 0.00 C ATOM 493 C LYS A 32 19.552 -3.906 6.889 1.00 0.00 C ATOM 494 O LYS A 32 20.151 -4.980 6.960 1.00 0.00 O ATOM 495 CB LYS A 32 20.121 -2.213 8.677 1.00 0.00 C ATOM 496 CG LYS A 32 21.317 -1.445 9.230 1.00 0.00 C ATOM 497 CD LYS A 32 21.540 -0.152 8.467 1.00 0.00 C ATOM 498 CE LYS A 32 22.848 0.524 8.842 1.00 0.00 C ATOM 499 NZ LYS A 32 23.132 1.680 7.954 1.00 0.00 N ATOM 0 H LYS A 32 19.078 -0.925 6.826 1.00 0.00 H new ATOM 0 HA LYS A 32 21.325 -2.764 6.978 1.00 0.00 H new ATOM 0 HB2 LYS A 32 19.223 -1.607 8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 32 19.976 -3.118 9.267 1.00 0.00 H new ATOM 0 HG2 LYS A 32 21.154 -1.224 10.285 1.00 0.00 H new ATOM 0 HG3 LYS A 32 22.211 -2.066 9.168 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.535 -0.359 7.397 1.00 0.00 H new ATOM 0 HD3 LYS A 32 20.713 0.530 8.663 1.00 0.00 H new ATOM 0 HE2 LYS A 32 22.802 0.861 9.878 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.664 -0.196 8.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 24.158 1.844 7.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 22.777 1.478 6.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 22.659 2.528 8.327 1.00 0.00 H new ATOM 513 N VAL A 33 18.282 -3.821 6.521 1.00 0.00 N ATOM 514 CA VAL A 33 17.521 -5.009 6.173 1.00 0.00 C ATOM 515 C VAL A 33 17.722 -5.376 4.709 1.00 0.00 C ATOM 516 O VAL A 33 17.525 -6.526 4.333 1.00 0.00 O ATOM 517 CB VAL A 33 16.008 -4.863 6.468 1.00 0.00 C ATOM 518 CG1 VAL A 33 15.769 -4.635 7.951 1.00 0.00 C ATOM 519 CG2 VAL A 33 15.384 -3.745 5.645 1.00 0.00 C ATOM 0 H VAL A 33 17.760 -2.947 6.456 1.00 0.00 H new ATOM 0 HA VAL A 33 17.904 -5.809 6.807 1.00 0.00 H new ATOM 0 HB VAL A 33 15.524 -5.796 6.179 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.699 -4.535 8.136 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.158 -5.482 8.517 1.00 0.00 H new ATOM 0 HG13 VAL A 33 16.278 -3.724 8.266 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.322 -3.671 5.878 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.874 -2.801 5.883 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.509 -3.961 4.584 1.00 0.00 H new ATOM 529 N ALA A 34 18.144 -4.404 3.887 1.00 0.00 N ATOM 530 CA ALA A 34 18.394 -4.655 2.467 1.00 0.00 C ATOM 531 C ALA A 34 19.427 -5.761 2.283 1.00 0.00 C ATOM 532 O ALA A 34 19.459 -6.441 1.255 1.00 0.00 O ATOM 533 CB ALA A 34 18.856 -3.385 1.768 1.00 0.00 C ATOM 0 H ALA A 34 18.317 -3.443 4.182 1.00 0.00 H new ATOM 0 HA ALA A 34 17.456 -4.980 2.016 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.036 -3.595 0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.086 -2.619 1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 34 19.777 -3.030 2.230 1.00 0.00 H new ATOM 539 N SER A 35 20.260 -5.932 3.297 1.00 0.00 N ATOM 540 CA SER A 35 21.250 -6.987 3.320 1.00 0.00 C ATOM 541 C SER A 35 20.581 -8.362 3.150 1.00 0.00 C ATOM 542 O SER A 35 21.057 -9.205 2.386 1.00 0.00 O ATOM 543 CB SER A 35 22.046 -6.898 4.635 1.00 0.00 C ATOM 544 OG SER A 35 22.928 -7.998 4.798 1.00 0.00 O ATOM 0 H SER A 35 20.265 -5.340 4.127 1.00 0.00 H new ATOM 0 HA SER A 35 21.940 -6.865 2.486 1.00 0.00 H new ATOM 0 HB2 SER A 35 22.617 -5.970 4.651 1.00 0.00 H new ATOM 0 HB3 SER A 35 21.354 -6.861 5.476 1.00 0.00 H new ATOM 0 HG SER A 35 23.416 -7.904 5.643 1.00 0.00 H new ATOM 550 N GLU A 36 19.445 -8.561 3.817 1.00 0.00 N ATOM 551 CA GLU A 36 18.738 -9.840 3.776 1.00 0.00 C ATOM 552 C GLU A 36 17.579 -9.791 2.778 1.00 0.00 C ATOM 553 O GLU A 36 16.608 -10.543 2.903 1.00 0.00 O ATOM 554 CB GLU A 36 18.187 -10.176 5.165 1.00 0.00 C ATOM 555 CG GLU A 36 19.133 -9.842 6.303 1.00 0.00 C ATOM 556 CD GLU A 36 18.639 -10.349 7.644 1.00 0.00 C ATOM 557 OE1 GLU A 36 17.555 -9.908 8.085 1.00 0.00 O ATOM 558 OE2 GLU A 36 19.336 -11.194 8.254 1.00 0.00 O ATOM 0 H GLU A 36 18.994 -7.851 4.394 1.00 0.00 H new ATOM 0 HA GLU A 36 19.445 -10.607 3.460 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.252 -9.636 5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.951 -11.239 5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 36 20.112 -10.274 6.094 1.00 0.00 H new ATOM 0 HG3 GLU A 36 19.265 -8.761 6.354 1.00 0.00 H new ATOM 565 N TYR A 37 17.692 -8.936 1.769 1.00 0.00 N ATOM 566 CA TYR A 37 16.567 -8.659 0.872 1.00 0.00 C ATOM 567 C TYR A 37 16.885 -8.971 -0.583 1.00 0.00 C ATOM 568 O TYR A 37 18.027 -9.244 -0.941 1.00 0.00 O ATOM 569 CB TYR A 37 16.133 -7.197 0.983 1.00 0.00 C ATOM 570 CG TYR A 37 15.190 -6.915 2.125 1.00 0.00 C ATOM 571 CD1 TYR A 37 15.075 -7.791 3.195 1.00 0.00 C ATOM 572 CD2 TYR A 37 14.416 -5.764 2.135 1.00 0.00 C ATOM 573 CE1 TYR A 37 14.220 -7.529 4.239 1.00 0.00 C ATOM 574 CE2 TYR A 37 13.556 -5.496 3.178 1.00 0.00 C ATOM 575 CZ TYR A 37 13.464 -6.383 4.228 1.00 0.00 C ATOM 576 OH TYR A 37 12.608 -6.128 5.269 1.00 0.00 O ATOM 0 H TYR A 37 18.545 -8.422 1.548 1.00 0.00 H new ATOM 0 HA TYR A 37 15.757 -9.316 1.189 1.00 0.00 H new ATOM 0 HB2 TYR A 37 17.020 -6.574 1.098 1.00 0.00 H new ATOM 0 HB3 TYR A 37 15.654 -6.900 0.050 1.00 0.00 H new ATOM 0 HD1 TYR A 37 15.667 -8.694 3.208 1.00 0.00 H new ATOM 0 HD2 TYR A 37 14.488 -5.067 1.313 1.00 0.00 H new ATOM 0 HE1 TYR A 37 14.143 -8.222 5.064 1.00 0.00 H new ATOM 0 HE2 TYR A 37 12.958 -4.597 3.172 1.00 0.00 H new ATOM 0 HH TYR A 37 12.859 -5.284 5.700 1.00 0.00 H new ATOM 586 N THR A 38 15.848 -8.943 -1.405 1.00 0.00 N ATOM 587 CA THR A 38 15.972 -9.141 -2.837 1.00 0.00 C ATOM 588 C THR A 38 14.903 -8.316 -3.556 1.00 0.00 C ATOM 589 O THR A 38 13.731 -8.353 -3.185 1.00 0.00 O ATOM 590 CB THR A 38 15.826 -10.634 -3.198 1.00 0.00 C ATOM 591 OG1 THR A 38 16.832 -11.394 -2.515 1.00 0.00 O ATOM 592 CG2 THR A 38 15.949 -10.854 -4.703 1.00 0.00 C ATOM 0 H THR A 38 14.890 -8.781 -1.093 1.00 0.00 H new ATOM 0 HA THR A 38 16.961 -8.812 -3.156 1.00 0.00 H new ATOM 0 HB THR A 38 14.836 -10.965 -2.886 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.737 -12.342 -2.744 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.842 -11.916 -4.925 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.168 -10.295 -5.218 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.926 -10.509 -5.043 1.00 0.00 H new ATOM 600 N LYS A 39 15.311 -7.561 -4.563 1.00 0.00 N ATOM 601 CA LYS A 39 14.400 -6.673 -5.272 1.00 0.00 C ATOM 602 C LYS A 39 13.733 -7.395 -6.435 1.00 0.00 C ATOM 603 O LYS A 39 14.402 -7.919 -7.326 1.00 0.00 O ATOM 604 CB LYS A 39 15.150 -5.438 -5.772 1.00 0.00 C ATOM 605 CG LYS A 39 14.253 -4.399 -6.424 1.00 0.00 C ATOM 606 CD LYS A 39 15.013 -3.113 -6.717 1.00 0.00 C ATOM 607 CE LYS A 39 16.129 -3.333 -7.726 1.00 0.00 C ATOM 608 NZ LYS A 39 16.971 -2.120 -7.891 1.00 0.00 N ATOM 0 H LYS A 39 16.270 -7.544 -4.910 1.00 0.00 H new ATOM 0 HA LYS A 39 13.621 -6.356 -4.578 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.674 -4.978 -4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.909 -5.751 -6.489 1.00 0.00 H new ATOM 0 HG2 LYS A 39 13.843 -4.800 -7.351 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.409 -4.183 -5.769 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.322 -2.361 -7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.433 -2.720 -5.791 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.752 -4.167 -7.403 1.00 0.00 H new ATOM 0 HE3 LYS A 39 15.699 -3.611 -8.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.720 -2.310 -8.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.381 -1.331 -8.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 17.402 -1.869 -6.978 1.00 0.00 H new ATOM 622 N ILE A 40 12.410 -7.406 -6.422 1.00 0.00 N ATOM 623 CA ILE A 40 11.635 -8.111 -7.434 1.00 0.00 C ATOM 624 C ILE A 40 11.194 -7.181 -8.562 1.00 0.00 C ATOM 625 O ILE A 40 10.596 -7.622 -9.543 1.00 0.00 O ATOM 626 CB ILE A 40 10.394 -8.776 -6.814 1.00 0.00 C ATOM 627 CG1 ILE A 40 9.565 -7.737 -6.054 1.00 0.00 C ATOM 628 CG2 ILE A 40 10.809 -9.917 -5.896 1.00 0.00 C ATOM 629 CD1 ILE A 40 8.330 -8.306 -5.396 1.00 0.00 C ATOM 0 H ILE A 40 11.846 -6.932 -5.717 1.00 0.00 H new ATOM 0 HA ILE A 40 12.289 -8.877 -7.851 1.00 0.00 H new ATOM 0 HB ILE A 40 9.778 -9.190 -7.612 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.191 -7.274 -5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.267 -6.948 -6.744 1.00 0.00 H new ATOM 0 HG21 ILE A 40 9.921 -10.378 -5.464 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.363 -10.661 -6.468 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.441 -9.530 -5.097 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.795 -7.511 -4.877 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.682 -8.744 -6.155 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.621 -9.075 -4.680 1.00 0.00 H new ATOM 641 N GLY A 41 11.478 -5.895 -8.414 1.00 0.00 N ATOM 642 CA GLY A 41 11.152 -4.945 -9.458 1.00 0.00 C ATOM 643 C GLY A 41 10.669 -3.620 -8.902 1.00 0.00 C ATOM 644 O GLY A 41 10.354 -3.515 -7.718 1.00 0.00 O ATOM 0 H GLY A 41 11.927 -5.493 -7.591 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.031 -4.776 -10.080 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.382 -5.368 -10.103 1.00 0.00 H new ATOM 648 N THR A 42 10.639 -2.603 -9.750 1.00 0.00 N ATOM 649 CA THR A 42 10.147 -1.290 -9.361 1.00 0.00 C ATOM 650 C THR A 42 8.779 -1.035 -9.993 1.00 0.00 C ATOM 651 O THR A 42 8.443 -1.632 -11.015 1.00 0.00 O ATOM 652 CB THR A 42 11.134 -0.196 -9.802 1.00 0.00 C ATOM 653 OG1 THR A 42 12.473 -0.640 -9.549 1.00 0.00 O ATOM 654 CG2 THR A 42 10.887 1.110 -9.057 1.00 0.00 C ATOM 0 H THR A 42 10.952 -2.663 -10.719 1.00 0.00 H new ATOM 0 HA THR A 42 10.052 -1.263 -8.275 1.00 0.00 H new ATOM 0 HB THR A 42 10.988 -0.013 -10.867 1.00 0.00 H new ATOM 0 HG1 THR A 42 13.106 0.053 -9.830 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.602 1.861 -9.393 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.874 1.458 -9.258 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.009 0.947 -7.986 1.00 0.00 H new ATOM 662 N ILE A 43 7.990 -0.168 -9.381 1.00 0.00 N ATOM 663 CA ILE A 43 6.699 0.222 -9.937 1.00 0.00 C ATOM 664 C ILE A 43 6.633 1.741 -10.046 1.00 0.00 C ATOM 665 O ILE A 43 7.429 2.440 -9.420 1.00 0.00 O ATOM 666 CB ILE A 43 5.519 -0.293 -9.079 1.00 0.00 C ATOM 667 CG1 ILE A 43 5.632 0.240 -7.649 1.00 0.00 C ATOM 668 CG2 ILE A 43 5.471 -1.817 -9.082 1.00 0.00 C ATOM 669 CD1 ILE A 43 4.606 -0.336 -6.698 1.00 0.00 C ATOM 0 H ILE A 43 8.219 0.283 -8.495 1.00 0.00 H new ATOM 0 HA ILE A 43 6.609 -0.231 -10.924 1.00 0.00 H new ATOM 0 HB ILE A 43 4.590 0.074 -9.515 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.630 0.021 -7.268 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.528 1.325 -7.667 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.633 -2.156 -8.472 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.344 -2.175 -10.104 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.401 -2.211 -8.672 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.751 0.090 -5.705 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.604 -0.095 -7.054 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.723 -1.419 -6.649 1.00 0.00 H new ATOM 681 N SER A 44 5.694 2.251 -10.830 1.00 0.00 N ATOM 682 CA SER A 44 5.597 3.679 -11.055 1.00 0.00 C ATOM 683 C SER A 44 4.225 4.087 -11.587 1.00 0.00 C ATOM 684 O SER A 44 3.418 3.240 -11.973 1.00 0.00 O ATOM 685 CB SER A 44 6.680 4.105 -12.035 1.00 0.00 C ATOM 686 OG SER A 44 6.898 3.115 -13.030 1.00 0.00 O ATOM 0 H SER A 44 4.992 1.695 -11.318 1.00 0.00 H new ATOM 0 HA SER A 44 5.734 4.181 -10.097 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.394 5.043 -12.510 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.608 4.291 -11.495 1.00 0.00 H new ATOM 0 HG SER A 44 7.598 3.418 -13.645 1.00 0.00 H new ATOM 692 N THR A 45 3.983 5.394 -11.594 1.00 0.00 N ATOM 693 CA THR A 45 2.745 5.975 -12.108 1.00 0.00 C ATOM 694 C THR A 45 3.035 7.331 -12.759 1.00 0.00 C ATOM 695 O THR A 45 3.899 8.075 -12.289 1.00 0.00 O ATOM 696 CB THR A 45 1.702 6.171 -10.984 1.00 0.00 C ATOM 697 OG1 THR A 45 2.334 6.724 -9.821 1.00 0.00 O ATOM 698 CG2 THR A 45 1.024 4.861 -10.619 1.00 0.00 C ATOM 0 H THR A 45 4.644 6.086 -11.241 1.00 0.00 H new ATOM 0 HA THR A 45 2.337 5.283 -12.845 1.00 0.00 H new ATOM 0 HB THR A 45 0.940 6.858 -11.353 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.667 6.847 -9.114 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.297 5.036 -9.826 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.515 4.458 -11.495 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.773 4.148 -10.274 1.00 0.00 H new ATOM 706 N THR A 46 2.348 7.645 -13.852 1.00 0.00 N ATOM 707 CA THR A 46 2.540 8.923 -14.531 1.00 0.00 C ATOM 708 C THR A 46 1.278 9.323 -15.295 1.00 0.00 C ATOM 709 O THR A 46 0.728 8.527 -16.059 1.00 0.00 O ATOM 710 CB THR A 46 3.738 8.866 -15.508 1.00 0.00 C ATOM 711 OG1 THR A 46 4.913 8.406 -14.825 1.00 0.00 O ATOM 712 CG2 THR A 46 4.016 10.232 -16.112 1.00 0.00 C ATOM 0 H THR A 46 1.655 7.035 -14.286 1.00 0.00 H new ATOM 0 HA THR A 46 2.750 9.670 -13.766 1.00 0.00 H new ATOM 0 HB THR A 46 3.482 8.172 -16.309 1.00 0.00 H new ATOM 0 HG1 THR A 46 5.664 8.372 -15.453 1.00 0.00 H new ATOM 0 HG21 THR A 46 4.863 10.162 -16.795 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.137 10.574 -16.658 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.248 10.941 -15.317 1.00 0.00 H new ATOM 720 N GLY A 47 0.813 10.545 -15.061 1.00 0.00 N ATOM 721 CA GLY A 47 -0.331 11.059 -15.781 1.00 0.00 C ATOM 722 C GLY A 47 -1.210 11.917 -14.901 1.00 0.00 C ATOM 723 O GLY A 47 -0.813 13.001 -14.472 1.00 0.00 O ATOM 0 H GLY A 47 1.213 11.191 -14.380 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.010 11.644 -16.635 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.914 10.228 -16.177 1.00 0.00 H new ATOM 727 N GLU A 48 -2.398 11.424 -14.627 1.00 0.00 N ATOM 728 CA GLU A 48 -3.341 12.114 -13.759 1.00 0.00 C ATOM 729 C GLU A 48 -3.991 11.115 -12.813 1.00 0.00 C ATOM 730 O GLU A 48 -4.667 10.179 -13.243 1.00 0.00 O ATOM 731 CB GLU A 48 -4.398 12.856 -14.589 1.00 0.00 C ATOM 732 CG GLU A 48 -5.151 11.971 -15.569 1.00 0.00 C ATOM 733 CD GLU A 48 -6.007 12.767 -16.526 1.00 0.00 C ATOM 734 OE1 GLU A 48 -5.478 13.199 -17.573 1.00 0.00 O ATOM 735 OE2 GLU A 48 -7.200 12.976 -16.238 1.00 0.00 O ATOM 0 H GLU A 48 -2.741 10.537 -14.996 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.804 12.856 -13.168 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.114 13.322 -13.912 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.912 13.660 -15.142 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.438 11.373 -16.136 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.781 11.275 -15.015 1.00 0.00 H new ATOM 742 N MET A 49 -3.756 11.295 -11.525 1.00 0.00 N ATOM 743 CA MET A 49 -4.256 10.369 -10.522 1.00 0.00 C ATOM 744 C MET A 49 -4.675 11.133 -9.277 1.00 0.00 C ATOM 745 O MET A 49 -4.489 12.347 -9.190 1.00 0.00 O ATOM 746 CB MET A 49 -3.172 9.350 -10.136 1.00 0.00 C ATOM 747 CG MET A 49 -2.678 8.477 -11.281 1.00 0.00 C ATOM 748 SD MET A 49 -3.357 6.802 -11.252 1.00 0.00 S ATOM 749 CE MET A 49 -5.091 7.113 -11.581 1.00 0.00 C ATOM 0 H MET A 49 -3.220 12.077 -11.147 1.00 0.00 H new ATOM 0 HA MET A 49 -5.112 9.841 -10.943 1.00 0.00 H new ATOM 0 HB2 MET A 49 -2.322 9.887 -9.715 1.00 0.00 H new ATOM 0 HB3 MET A 49 -3.563 8.705 -9.349 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.939 8.950 -12.228 1.00 0.00 H new ATOM 0 HG3 MET A 49 -1.590 8.421 -11.242 1.00 0.00 H new ATOM 0 HE1 MET A 49 -5.590 6.174 -11.821 1.00 0.00 H new ATOM 0 HE2 MET A 49 -5.555 7.556 -10.700 1.00 0.00 H new ATOM 0 HE3 MET A 49 -5.184 7.799 -12.423 1.00 0.00 H new ATOM 759 N SER A 50 -5.257 10.427 -8.329 1.00 0.00 N ATOM 760 CA SER A 50 -5.466 10.968 -7.000 1.00 0.00 C ATOM 761 C SER A 50 -4.354 10.437 -6.097 1.00 0.00 C ATOM 762 O SER A 50 -3.936 9.295 -6.258 1.00 0.00 O ATOM 763 CB SER A 50 -6.843 10.558 -6.477 1.00 0.00 C ATOM 764 OG SER A 50 -7.861 10.873 -7.416 1.00 0.00 O ATOM 0 H SER A 50 -5.595 9.473 -8.455 1.00 0.00 H new ATOM 0 HA SER A 50 -5.435 12.057 -7.018 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.853 9.488 -6.270 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.044 11.067 -5.534 1.00 0.00 H new ATOM 0 HG SER A 50 -8.732 10.599 -7.059 1.00 0.00 H new ATOM 770 N PRO A 51 -3.863 11.241 -5.144 1.00 0.00 N ATOM 771 CA PRO A 51 -2.678 10.890 -4.351 1.00 0.00 C ATOM 772 C PRO A 51 -2.810 9.553 -3.620 1.00 0.00 C ATOM 773 O PRO A 51 -1.967 8.670 -3.779 1.00 0.00 O ATOM 774 CB PRO A 51 -2.536 12.051 -3.359 1.00 0.00 C ATOM 775 CG PRO A 51 -3.853 12.754 -3.379 1.00 0.00 C ATOM 776 CD PRO A 51 -4.416 12.548 -4.757 1.00 0.00 C ATOM 0 HA PRO A 51 -1.804 10.757 -4.989 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -2.300 11.687 -2.359 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.728 12.722 -3.652 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -4.522 12.349 -2.620 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -3.731 13.815 -3.163 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -5.506 12.540 -4.751 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -4.106 13.337 -5.442 1.00 0.00 H new ATOM 784 N LEU A 52 -3.873 9.389 -2.846 1.00 0.00 N ATOM 785 CA LEU A 52 -4.065 8.163 -2.076 1.00 0.00 C ATOM 786 C LEU A 52 -4.503 7.026 -2.984 1.00 0.00 C ATOM 787 O LEU A 52 -4.159 5.868 -2.754 1.00 0.00 O ATOM 788 CB LEU A 52 -5.093 8.360 -0.953 1.00 0.00 C ATOM 789 CG LEU A 52 -4.618 9.183 0.252 1.00 0.00 C ATOM 790 CD1 LEU A 52 -4.485 10.657 -0.098 1.00 0.00 C ATOM 791 CD2 LEU A 52 -5.568 8.996 1.420 1.00 0.00 C ATOM 0 H LEU A 52 -4.612 10.082 -2.733 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.108 7.909 -1.621 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.975 8.843 -1.374 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.407 7.379 -0.597 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.630 8.822 0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.147 11.210 0.778 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.761 10.776 -0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.452 11.043 -0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.221 9.585 2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.566 9.326 1.133 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.600 7.942 1.698 1.00 0.00 H new ATOM 803 N ASP A 53 -5.236 7.364 -4.032 1.00 0.00 N ATOM 804 CA ASP A 53 -5.738 6.363 -4.967 1.00 0.00 C ATOM 805 C ASP A 53 -4.598 5.779 -5.796 1.00 0.00 C ATOM 806 O ASP A 53 -4.606 4.598 -6.135 1.00 0.00 O ATOM 807 CB ASP A 53 -6.814 6.962 -5.875 1.00 0.00 C ATOM 808 CG ASP A 53 -8.083 7.312 -5.122 1.00 0.00 C ATOM 809 OD1 ASP A 53 -8.181 8.441 -4.596 1.00 0.00 O ATOM 810 OD2 ASP A 53 -8.993 6.459 -5.053 1.00 0.00 O ATOM 0 H ASP A 53 -5.498 8.323 -4.259 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.189 5.555 -4.391 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.422 7.859 -6.355 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -7.050 6.253 -6.669 1.00 0.00 H new ATOM 815 N ALA A 54 -3.614 6.612 -6.114 1.00 0.00 N ATOM 816 CA ALA A 54 -2.419 6.150 -6.808 1.00 0.00 C ATOM 817 C ALA A 54 -1.579 5.285 -5.882 1.00 0.00 C ATOM 818 O ALA A 54 -0.979 4.298 -6.306 1.00 0.00 O ATOM 819 CB ALA A 54 -1.606 7.331 -7.314 1.00 0.00 C ATOM 0 H ALA A 54 -3.620 7.610 -5.902 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.724 5.551 -7.666 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.717 6.967 -7.830 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.210 7.920 -8.004 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.307 7.954 -6.471 1.00 0.00 H new ATOM 825 N ARG A 55 -1.552 5.662 -4.607 1.00 0.00 N ATOM 826 CA ARG A 55 -0.882 4.874 -3.588 1.00 0.00 C ATOM 827 C ARG A 55 -1.516 3.498 -3.511 1.00 0.00 C ATOM 828 O ARG A 55 -0.825 2.497 -3.426 1.00 0.00 O ATOM 829 CB ARG A 55 -0.961 5.578 -2.231 1.00 0.00 C ATOM 830 CG ARG A 55 -0.068 6.802 -2.138 1.00 0.00 C ATOM 831 CD ARG A 55 -0.407 7.662 -0.931 1.00 0.00 C ATOM 832 NE ARG A 55 -0.111 7.007 0.341 1.00 0.00 N ATOM 833 CZ ARG A 55 0.632 7.558 1.300 1.00 0.00 C ATOM 834 NH1 ARG A 55 1.234 8.725 1.092 1.00 0.00 N ATOM 835 NH2 ARG A 55 0.778 6.939 2.461 1.00 0.00 N ATOM 0 H ARG A 55 -1.990 6.514 -4.258 1.00 0.00 H new ATOM 0 HA ARG A 55 0.170 4.766 -3.854 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.993 5.874 -2.042 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.683 4.873 -1.447 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.974 6.487 -2.078 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.170 7.395 -3.047 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.151 8.597 -0.990 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.466 7.920 -0.962 1.00 0.00 H new ATOM 0 HE ARG A 55 -0.495 6.076 0.504 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.128 9.201 0.196 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.802 9.144 1.828 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.322 6.041 2.621 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.347 7.360 3.196 1.00 0.00 H new ATOM 849 N GLU A 56 -2.838 3.465 -3.569 1.00 0.00 N ATOM 850 CA GLU A 56 -3.577 2.210 -3.595 1.00 0.00 C ATOM 851 C GLU A 56 -3.143 1.329 -4.758 1.00 0.00 C ATOM 852 O GLU A 56 -2.933 0.132 -4.588 1.00 0.00 O ATOM 853 CB GLU A 56 -5.080 2.475 -3.676 1.00 0.00 C ATOM 854 CG GLU A 56 -5.698 2.833 -2.342 1.00 0.00 C ATOM 855 CD GLU A 56 -5.590 1.697 -1.350 1.00 0.00 C ATOM 856 OE1 GLU A 56 -6.399 0.749 -1.440 1.00 0.00 O ATOM 857 OE2 GLU A 56 -4.689 1.728 -0.488 1.00 0.00 O ATOM 0 H GLU A 56 -3.426 4.298 -3.599 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.355 1.681 -2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.261 3.286 -4.382 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.577 1.590 -4.073 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.204 3.717 -1.938 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -6.747 3.092 -2.485 1.00 0.00 H new ATOM 864 N ASP A 57 -2.983 1.921 -5.931 1.00 0.00 N ATOM 865 CA ASP A 57 -2.603 1.157 -7.118 1.00 0.00 C ATOM 866 C ASP A 57 -1.214 0.586 -6.946 1.00 0.00 C ATOM 867 O ASP A 57 -0.952 -0.567 -7.271 1.00 0.00 O ATOM 868 CB ASP A 57 -2.657 2.038 -8.372 1.00 0.00 C ATOM 869 CG ASP A 57 -2.017 1.384 -9.587 1.00 0.00 C ATOM 870 OD1 ASP A 57 -2.535 0.357 -10.074 1.00 0.00 O ATOM 871 OD2 ASP A 57 -0.982 1.894 -10.063 1.00 0.00 O ATOM 0 H ASP A 57 -3.108 2.921 -6.091 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.313 0.339 -7.241 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.697 2.274 -8.599 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.153 2.983 -8.167 1.00 0.00 H new ATOM 876 N LEU A 58 -0.341 1.399 -6.397 1.00 0.00 N ATOM 877 CA LEU A 58 1.038 1.007 -6.181 1.00 0.00 C ATOM 878 C LEU A 58 1.149 -0.048 -5.082 1.00 0.00 C ATOM 879 O LEU A 58 1.746 -1.107 -5.278 1.00 0.00 O ATOM 880 CB LEU A 58 1.865 2.243 -5.825 1.00 0.00 C ATOM 881 CG LEU A 58 2.054 3.254 -6.962 1.00 0.00 C ATOM 882 CD1 LEU A 58 2.885 4.437 -6.491 1.00 0.00 C ATOM 883 CD2 LEU A 58 2.704 2.592 -8.167 1.00 0.00 C ATOM 0 H LEU A 58 -0.562 2.346 -6.088 1.00 0.00 H new ATOM 0 HA LEU A 58 1.424 0.564 -7.099 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.388 2.750 -4.986 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.847 1.917 -5.484 1.00 0.00 H new ATOM 0 HG LEU A 58 1.072 3.620 -7.261 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.009 5.144 -7.311 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.379 4.929 -5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.864 4.087 -6.163 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.829 3.327 -8.962 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.679 2.196 -7.883 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.071 1.778 -8.521 1.00 0.00 H new ATOM 895 N ILE A 59 0.542 0.239 -3.944 1.00 0.00 N ATOM 896 CA ILE A 59 0.647 -0.613 -2.770 1.00 0.00 C ATOM 897 C ILE A 59 -0.091 -1.936 -2.971 1.00 0.00 C ATOM 898 O ILE A 59 0.417 -2.992 -2.592 1.00 0.00 O ATOM 899 CB ILE A 59 0.108 0.110 -1.514 1.00 0.00 C ATOM 900 CG1 ILE A 59 0.911 1.393 -1.263 1.00 0.00 C ATOM 901 CG2 ILE A 59 0.179 -0.804 -0.297 1.00 0.00 C ATOM 902 CD1 ILE A 59 0.216 2.384 -0.350 1.00 0.00 C ATOM 0 H ILE A 59 -0.037 1.067 -3.807 1.00 0.00 H new ATOM 0 HA ILE A 59 1.704 -0.833 -2.622 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.936 0.373 -1.685 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.875 1.128 -0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.114 1.875 -2.219 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.205 -0.277 0.577 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.422 -1.696 -0.476 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.215 -1.094 -0.120 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.846 3.264 -0.221 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.735 2.680 -0.792 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.037 1.921 0.620 1.00 0.00 H new ATOM 914 N LYS A 60 -1.272 -1.893 -3.590 1.00 0.00 N ATOM 915 CA LYS A 60 -2.044 -3.114 -3.798 1.00 0.00 C ATOM 916 C LYS A 60 -1.369 -4.003 -4.834 1.00 0.00 C ATOM 917 O LYS A 60 -1.386 -5.224 -4.714 1.00 0.00 O ATOM 918 CB LYS A 60 -3.484 -2.802 -4.222 1.00 0.00 C ATOM 919 CG LYS A 60 -4.338 -2.201 -3.114 1.00 0.00 C ATOM 920 CD LYS A 60 -4.427 -3.131 -1.915 1.00 0.00 C ATOM 921 CE LYS A 60 -5.483 -2.678 -0.915 1.00 0.00 C ATOM 922 NZ LYS A 60 -5.189 -1.342 -0.332 1.00 0.00 N ATOM 0 H LYS A 60 -1.706 -1.043 -3.949 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.082 -3.647 -2.848 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.462 -2.112 -5.065 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.956 -3.720 -4.573 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.915 -1.245 -2.804 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.339 -1.998 -3.494 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.660 -4.140 -2.256 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -3.457 -3.178 -1.421 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.455 -2.648 -1.408 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.555 -3.412 -0.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.161 -1.414 0.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.269 -1.006 -0.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.932 -0.670 -0.612 1.00 0.00 H new ATOM 936 N LYS A 61 -0.757 -3.383 -5.839 1.00 0.00 N ATOM 937 CA LYS A 61 -0.053 -4.113 -6.884 1.00 0.00 C ATOM 938 C LYS A 61 1.237 -4.710 -6.340 1.00 0.00 C ATOM 939 O LYS A 61 1.600 -5.836 -6.677 1.00 0.00 O ATOM 940 CB LYS A 61 0.242 -3.170 -8.040 1.00 0.00 C ATOM 941 CG LYS A 61 -0.182 -3.717 -9.380 1.00 0.00 C ATOM 942 CD LYS A 61 -0.608 -2.606 -10.328 1.00 0.00 C ATOM 943 CE LYS A 61 0.424 -1.491 -10.414 1.00 0.00 C ATOM 944 NZ LYS A 61 -0.046 -0.375 -11.279 1.00 0.00 N ATOM 0 H LYS A 61 -0.736 -2.369 -5.950 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.680 -4.932 -7.238 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.267 -2.222 -7.865 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.311 -2.959 -8.064 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.642 -4.278 -9.822 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.007 -4.416 -9.244 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.773 -3.023 -11.322 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.560 -2.192 -9.994 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.636 -1.113 -9.414 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.359 -1.889 -10.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.575 -0.294 -12.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.020 -0.565 -11.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.022 0.515 -10.741 1.00 0.00 H new ATOM 958 N ALA A 62 1.934 -3.938 -5.516 1.00 0.00 N ATOM 959 CA ALA A 62 3.092 -4.443 -4.784 1.00 0.00 C ATOM 960 C ALA A 62 2.709 -5.658 -3.937 1.00 0.00 C ATOM 961 O ALA A 62 3.422 -6.660 -3.914 1.00 0.00 O ATOM 962 CB ALA A 62 3.681 -3.351 -3.904 1.00 0.00 C ATOM 0 H ALA A 62 1.718 -2.957 -5.337 1.00 0.00 H new ATOM 0 HA ALA A 62 3.845 -4.752 -5.508 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.543 -3.744 -3.365 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.993 -2.512 -4.525 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.929 -3.014 -3.190 1.00 0.00 H new ATOM 968 N ASP A 63 1.577 -5.555 -3.236 1.00 0.00 N ATOM 969 CA ASP A 63 1.040 -6.673 -2.455 1.00 0.00 C ATOM 970 C ASP A 63 0.711 -7.848 -3.367 1.00 0.00 C ATOM 971 O ASP A 63 1.010 -8.997 -3.047 1.00 0.00 O ATOM 972 CB ASP A 63 -0.218 -6.243 -1.683 1.00 0.00 C ATOM 973 CG ASP A 63 -0.919 -7.404 -0.996 1.00 0.00 C ATOM 974 OD1 ASP A 63 -1.708 -8.110 -1.662 1.00 0.00 O ATOM 975 OD2 ASP A 63 -0.704 -7.605 0.218 1.00 0.00 O ATOM 0 H ASP A 63 1.013 -4.706 -3.193 1.00 0.00 H new ATOM 0 HA ASP A 63 1.801 -6.982 -1.738 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.058 -5.499 -0.936 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.913 -5.762 -2.371 1.00 0.00 H new ATOM 980 N GLU A 64 0.102 -7.539 -4.506 1.00 0.00 N ATOM 981 CA GLU A 64 -0.271 -8.544 -5.494 1.00 0.00 C ATOM 982 C GLU A 64 0.953 -9.276 -6.040 1.00 0.00 C ATOM 983 O GLU A 64 0.929 -10.495 -6.216 1.00 0.00 O ATOM 984 CB GLU A 64 -1.049 -7.898 -6.643 1.00 0.00 C ATOM 985 CG GLU A 64 -2.501 -7.626 -6.313 1.00 0.00 C ATOM 986 CD GLU A 64 -3.334 -7.344 -7.542 1.00 0.00 C ATOM 987 OE1 GLU A 64 -3.699 -8.313 -8.246 1.00 0.00 O ATOM 988 OE2 GLU A 64 -3.643 -6.162 -7.807 1.00 0.00 O ATOM 0 H GLU A 64 -0.147 -6.586 -4.770 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.907 -9.276 -4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.565 -6.960 -6.916 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.999 -8.549 -7.516 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.917 -8.485 -5.786 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.562 -6.775 -5.634 1.00 0.00 H new ATOM 995 N LYS A 65 2.016 -8.531 -6.305 1.00 0.00 N ATOM 996 CA LYS A 65 3.253 -9.116 -6.814 1.00 0.00 C ATOM 997 C LYS A 65 3.998 -9.838 -5.692 1.00 0.00 C ATOM 998 O LYS A 65 4.764 -10.775 -5.936 1.00 0.00 O ATOM 999 CB LYS A 65 4.131 -8.030 -7.444 1.00 0.00 C ATOM 1000 CG LYS A 65 5.374 -8.568 -8.133 1.00 0.00 C ATOM 1001 CD LYS A 65 6.025 -7.506 -9.003 1.00 0.00 C ATOM 1002 CE LYS A 65 7.276 -8.030 -9.690 1.00 0.00 C ATOM 1003 NZ LYS A 65 7.773 -7.085 -10.725 1.00 0.00 N ATOM 0 H LYS A 65 2.049 -7.520 -6.177 1.00 0.00 H new ATOM 0 HA LYS A 65 3.008 -9.847 -7.585 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.538 -7.472 -8.169 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.433 -7.325 -6.669 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.086 -8.915 -7.384 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.109 -9.430 -8.745 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.313 -7.165 -9.755 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.281 -6.641 -8.391 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.055 -8.199 -8.947 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.061 -8.994 -10.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.804 -6.983 -10.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.543 -7.453 -11.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.320 -6.158 -10.595 1.00 0.00 H new ATOM 1017 N GLY A 66 3.759 -9.400 -4.466 1.00 0.00 N ATOM 1018 CA GLY A 66 4.328 -10.059 -3.310 1.00 0.00 C ATOM 1019 C GLY A 66 5.633 -9.436 -2.870 1.00 0.00 C ATOM 1020 O GLY A 66 6.698 -9.860 -3.305 1.00 0.00 O ATOM 0 H GLY A 66 3.175 -8.592 -4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.615 -10.020 -2.486 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.492 -11.112 -3.540 1.00 0.00 H new ATOM 1024 N ALA A 67 5.544 -8.431 -2.008 1.00 0.00 N ATOM 1025 CA ALA A 67 6.719 -7.766 -1.454 1.00 0.00 C ATOM 1026 C ALA A 67 6.620 -7.717 0.062 1.00 0.00 C ATOM 1027 O ALA A 67 5.517 -7.672 0.610 1.00 0.00 O ATOM 1028 CB ALA A 67 6.849 -6.360 -2.020 1.00 0.00 C ATOM 0 H ALA A 67 4.658 -8.054 -1.673 1.00 0.00 H new ATOM 0 HA ALA A 67 7.607 -8.333 -1.732 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.730 -5.877 -1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.949 -6.412 -3.104 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.961 -5.782 -1.765 1.00 0.00 H new ATOM 1034 N ASP A 68 7.761 -7.747 0.736 1.00 0.00 N ATOM 1035 CA ASP A 68 7.772 -7.700 2.191 1.00 0.00 C ATOM 1036 C ASP A 68 7.920 -6.260 2.650 1.00 0.00 C ATOM 1037 O ASP A 68 7.300 -5.832 3.620 1.00 0.00 O ATOM 1038 CB ASP A 68 8.898 -8.578 2.763 1.00 0.00 C ATOM 1039 CG ASP A 68 10.201 -7.843 3.025 1.00 0.00 C ATOM 1040 OD1 ASP A 68 10.952 -7.605 2.064 1.00 0.00 O ATOM 1041 OD2 ASP A 68 10.487 -7.532 4.206 1.00 0.00 O ATOM 0 H ASP A 68 8.683 -7.803 0.304 1.00 0.00 H new ATOM 0 HA ASP A 68 6.828 -8.096 2.565 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.554 -9.025 3.696 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.091 -9.396 2.069 1.00 0.00 H new ATOM 1046 N VAL A 69 8.743 -5.520 1.939 1.00 0.00 N ATOM 1047 CA VAL A 69 8.919 -4.099 2.202 1.00 0.00 C ATOM 1048 C VAL A 69 8.699 -3.275 0.942 1.00 0.00 C ATOM 1049 O VAL A 69 9.080 -3.681 -0.159 1.00 0.00 O ATOM 1050 CB VAL A 69 10.312 -3.802 2.800 1.00 0.00 C ATOM 1051 CG1 VAL A 69 10.623 -2.309 2.794 1.00 0.00 C ATOM 1052 CG2 VAL A 69 10.388 -4.336 4.215 1.00 0.00 C ATOM 0 H VAL A 69 9.307 -5.878 1.168 1.00 0.00 H new ATOM 0 HA VAL A 69 8.167 -3.813 2.937 1.00 0.00 H new ATOM 0 HB VAL A 69 11.055 -4.300 2.177 1.00 0.00 H new ATOM 0 HG11 VAL A 69 11.611 -2.141 3.222 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.604 -1.937 1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.876 -1.779 3.386 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.373 -4.124 4.632 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.624 -3.856 4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.222 -5.413 4.207 1.00 0.00 H new ATOM 1062 N VAL A 70 8.072 -2.120 1.109 1.00 0.00 N ATOM 1063 CA VAL A 70 7.844 -1.201 0.007 1.00 0.00 C ATOM 1064 C VAL A 70 8.532 0.127 0.303 1.00 0.00 C ATOM 1065 O VAL A 70 8.560 0.569 1.453 1.00 0.00 O ATOM 1066 CB VAL A 70 6.332 -0.951 -0.208 1.00 0.00 C ATOM 1067 CG1 VAL A 70 6.086 -0.040 -1.403 1.00 0.00 C ATOM 1068 CG2 VAL A 70 5.582 -2.261 -0.379 1.00 0.00 C ATOM 0 H VAL A 70 7.710 -1.796 2.006 1.00 0.00 H new ATOM 0 HA VAL A 70 8.255 -1.646 -0.899 1.00 0.00 H new ATOM 0 HB VAL A 70 5.954 -0.451 0.684 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.014 0.116 -1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.575 0.920 -1.236 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.492 -0.502 -2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.522 -2.056 -0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.974 -2.794 -1.245 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.711 -2.873 0.513 1.00 0.00 H new ATOM 1078 N VAL A 71 9.089 0.756 -0.715 1.00 0.00 N ATOM 1079 CA VAL A 71 9.698 2.067 -0.552 1.00 0.00 C ATOM 1080 C VAL A 71 9.048 3.053 -1.508 1.00 0.00 C ATOM 1081 O VAL A 71 9.167 2.919 -2.725 1.00 0.00 O ATOM 1082 CB VAL A 71 11.219 2.035 -0.809 1.00 0.00 C ATOM 1083 CG1 VAL A 71 11.839 3.403 -0.567 1.00 0.00 C ATOM 1084 CG2 VAL A 71 11.893 0.990 0.064 1.00 0.00 C ATOM 0 H VAL A 71 9.133 0.383 -1.663 1.00 0.00 H new ATOM 0 HA VAL A 71 9.539 2.378 0.481 1.00 0.00 H new ATOM 0 HB VAL A 71 11.375 1.766 -1.854 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.912 3.355 -0.755 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.386 4.132 -1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.665 3.704 0.466 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.965 0.986 -0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.720 1.226 1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.479 0.007 -0.160 1.00 0.00 H new ATOM 1094 N LEU A 72 8.339 4.025 -0.959 1.00 0.00 N ATOM 1095 CA LEU A 72 7.642 5.003 -1.777 1.00 0.00 C ATOM 1096 C LEU A 72 8.583 6.127 -2.188 1.00 0.00 C ATOM 1097 O LEU A 72 8.805 7.071 -1.433 1.00 0.00 O ATOM 1098 CB LEU A 72 6.436 5.574 -1.026 1.00 0.00 C ATOM 1099 CG LEU A 72 5.379 4.549 -0.618 1.00 0.00 C ATOM 1100 CD1 LEU A 72 4.255 5.216 0.164 1.00 0.00 C ATOM 1101 CD2 LEU A 72 4.825 3.833 -1.840 1.00 0.00 C ATOM 0 H LEU A 72 8.231 4.158 0.047 1.00 0.00 H new ATOM 0 HA LEU A 72 7.286 4.500 -2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.793 6.080 -0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.963 6.330 -1.652 1.00 0.00 H new ATOM 0 HG LEU A 72 5.854 3.810 0.027 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.513 4.468 0.445 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.662 5.679 1.063 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.784 5.979 -0.455 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.074 3.108 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.369 4.560 -2.512 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.634 3.317 -2.358 1.00 0.00 H new ATOM 1113 N THR A 73 9.161 5.999 -3.368 1.00 0.00 N ATOM 1114 CA THR A 73 10.043 7.023 -3.911 1.00 0.00 C ATOM 1115 C THR A 73 9.270 8.062 -4.725 1.00 0.00 C ATOM 1116 O THR A 73 9.847 8.989 -5.294 1.00 0.00 O ATOM 1117 CB THR A 73 11.101 6.367 -4.795 1.00 0.00 C ATOM 1118 OG1 THR A 73 10.657 5.057 -5.183 1.00 0.00 O ATOM 1119 CG2 THR A 73 12.434 6.270 -4.069 1.00 0.00 C ATOM 0 H THR A 73 9.036 5.189 -3.976 1.00 0.00 H new ATOM 0 HA THR A 73 10.517 7.537 -3.074 1.00 0.00 H new ATOM 0 HB THR A 73 11.243 6.983 -5.683 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.330 4.393 -4.924 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.170 5.799 -4.721 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.775 7.270 -3.799 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.314 5.672 -3.166 1.00 0.00 H new ATOM 1127 N SER A 74 7.961 7.878 -4.770 1.00 0.00 N ATOM 1128 CA SER A 74 7.050 8.740 -5.522 1.00 0.00 C ATOM 1129 C SER A 74 7.181 10.216 -5.153 1.00 0.00 C ATOM 1130 O SER A 74 7.417 10.566 -3.994 1.00 0.00 O ATOM 1131 CB SER A 74 5.601 8.306 -5.277 1.00 0.00 C ATOM 1132 OG SER A 74 5.371 6.988 -5.739 1.00 0.00 O ATOM 0 H SER A 74 7.490 7.117 -4.280 1.00 0.00 H new ATOM 0 HA SER A 74 7.322 8.632 -6.572 1.00 0.00 H new ATOM 0 HB2 SER A 74 5.378 8.364 -4.212 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.923 8.994 -5.783 1.00 0.00 H new ATOM 0 HG SER A 74 6.068 6.393 -5.391 1.00 0.00 H new ATOM 1138 N GLY A 75 7.022 11.067 -6.155 1.00 0.00 N ATOM 1139 CA GLY A 75 6.885 12.486 -5.923 1.00 0.00 C ATOM 1140 C GLY A 75 5.424 12.839 -5.771 1.00 0.00 C ATOM 1141 O GLY A 75 4.749 13.181 -6.742 1.00 0.00 O ATOM 0 H GLY A 75 6.985 10.793 -7.137 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.433 12.772 -5.025 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.319 13.043 -6.753 1.00 0.00 H new ATOM 1145 N GLN A 76 4.938 12.740 -4.549 1.00 0.00 N ATOM 1146 CA GLN A 76 3.520 12.843 -4.268 1.00 0.00 C ATOM 1147 C GLN A 76 3.083 14.289 -4.162 1.00 0.00 C ATOM 1148 O GLN A 76 2.968 14.856 -3.072 1.00 0.00 O ATOM 1149 CB GLN A 76 3.173 12.090 -2.988 1.00 0.00 C ATOM 1150 CG GLN A 76 1.681 12.019 -2.704 1.00 0.00 C ATOM 1151 CD GLN A 76 1.378 11.423 -1.344 1.00 0.00 C ATOM 1152 OE1 GLN A 76 1.212 10.214 -1.205 1.00 0.00 O ATOM 1153 NE2 GLN A 76 1.293 12.271 -0.334 1.00 0.00 N ATOM 0 H GLN A 76 5.516 12.586 -3.723 1.00 0.00 H new ATOM 0 HA GLN A 76 2.982 12.389 -5.100 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.569 11.077 -3.055 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.671 12.573 -2.147 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.255 13.021 -2.761 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.195 11.422 -3.476 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.438 13.268 -0.492 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.083 11.928 0.603 1.00 0.00 H new ATOM 1162 N THR A 77 2.912 14.887 -5.312 1.00 0.00 N ATOM 1163 CA THR A 77 2.308 16.205 -5.414 1.00 0.00 C ATOM 1164 C THR A 77 0.827 16.123 -5.026 1.00 0.00 C ATOM 1165 O THR A 77 0.460 16.455 -3.897 1.00 0.00 O ATOM 1166 CB THR A 77 2.456 16.775 -6.838 1.00 0.00 C ATOM 1167 OG1 THR A 77 3.810 16.611 -7.284 1.00 0.00 O ATOM 1168 CG2 THR A 77 2.079 18.251 -6.876 1.00 0.00 C ATOM 0 H THR A 77 3.184 14.481 -6.207 1.00 0.00 H new ATOM 0 HA THR A 77 2.825 16.877 -4.730 1.00 0.00 H new ATOM 0 HB THR A 77 1.782 16.231 -7.499 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.902 16.972 -8.190 1.00 0.00 H new ATOM 0 HG21 THR A 77 2.192 18.629 -7.892 1.00 0.00 H new ATOM 0 HG22 THR A 77 1.043 18.370 -6.557 1.00 0.00 H new ATOM 0 HG23 THR A 77 2.732 18.811 -6.206 1.00 0.00 H new ATOM 1176 N GLU A 78 -0.008 15.644 -5.954 1.00 0.00 N ATOM 1177 CA GLU A 78 -1.424 15.401 -5.677 1.00 0.00 C ATOM 1178 C GLU A 78 -2.123 14.805 -6.898 1.00 0.00 C ATOM 1179 O GLU A 78 -2.272 13.589 -7.004 1.00 0.00 O ATOM 1180 CB GLU A 78 -2.143 16.682 -5.239 1.00 0.00 C ATOM 1181 CG GLU A 78 -3.586 16.449 -4.822 1.00 0.00 C ATOM 1182 CD GLU A 78 -4.252 17.700 -4.300 1.00 0.00 C ATOM 1183 OE1 GLU A 78 -4.826 18.456 -5.109 1.00 0.00 O ATOM 1184 OE2 GLU A 78 -4.213 17.929 -3.075 1.00 0.00 O ATOM 0 H GLU A 78 0.276 15.417 -6.907 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.472 14.686 -4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.599 17.129 -4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -2.120 17.401 -6.058 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -4.150 16.071 -5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.617 15.678 -4.052 1.00 0.00 H new ATOM 1191 N ASN A 79 -2.537 15.667 -7.824 1.00 0.00 N ATOM 1192 CA ASN A 79 -3.234 15.230 -9.021 1.00 0.00 C ATOM 1193 C ASN A 79 -2.225 14.811 -10.078 1.00 0.00 C ATOM 1194 O ASN A 79 -2.332 13.735 -10.672 1.00 0.00 O ATOM 1195 CB ASN A 79 -4.128 16.351 -9.556 1.00 0.00 C ATOM 1196 CG ASN A 79 -5.004 15.894 -10.706 1.00 0.00 C ATOM 1197 OD1 ASN A 79 -5.325 16.666 -11.611 1.00 0.00 O ATOM 1198 ND2 ASN A 79 -5.401 14.632 -10.680 1.00 0.00 N ATOM 0 H ASN A 79 -2.399 16.676 -7.763 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.864 14.376 -8.772 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.758 16.725 -8.749 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.505 17.182 -9.886 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -5.993 14.268 -11.426 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -5.114 14.023 -9.914 1.00 0.00 H new ATOM 1205 N LYS A 80 -1.241 15.666 -10.312 1.00 0.00 N ATOM 1206 CA LYS A 80 -0.134 15.308 -11.167 1.00 0.00 C ATOM 1207 C LYS A 80 0.983 14.781 -10.285 1.00 0.00 C ATOM 1208 O LYS A 80 1.323 15.382 -9.261 1.00 0.00 O ATOM 1209 CB LYS A 80 0.337 16.507 -11.994 1.00 0.00 C ATOM 1210 CG LYS A 80 1.024 17.569 -11.163 1.00 0.00 C ATOM 1211 CD LYS A 80 1.229 18.863 -11.937 1.00 0.00 C ATOM 1212 CE LYS A 80 2.014 19.877 -11.120 1.00 0.00 C ATOM 1213 NZ LYS A 80 2.179 21.170 -11.837 1.00 0.00 N ATOM 0 H LYS A 80 -1.192 16.607 -9.921 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.444 14.541 -11.877 1.00 0.00 H new ATOM 0 HB2 LYS A 80 1.022 16.160 -12.768 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.520 16.950 -12.502 1.00 0.00 H new ATOM 0 HG2 LYS A 80 0.430 17.771 -10.272 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.990 17.194 -10.824 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.759 18.653 -12.866 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.261 19.283 -12.210 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.503 20.051 -10.173 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.996 19.468 -10.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 2.720 21.830 -11.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.689 21.010 -12.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 1.243 21.575 -12.042 1.00 0.00 H new ATOM 1227 N ILE A 81 1.518 13.649 -10.661 1.00 0.00 N ATOM 1228 CA ILE A 81 2.507 12.958 -9.847 1.00 0.00 C ATOM 1229 C ILE A 81 3.420 12.095 -10.701 1.00 0.00 C ATOM 1230 O ILE A 81 2.964 11.390 -11.604 1.00 0.00 O ATOM 1231 CB ILE A 81 1.854 12.045 -8.777 1.00 0.00 C ATOM 1232 CG1 ILE A 81 0.745 11.202 -9.409 1.00 0.00 C ATOM 1233 CG2 ILE A 81 1.323 12.853 -7.597 1.00 0.00 C ATOM 1234 CD1 ILE A 81 0.132 10.198 -8.462 1.00 0.00 C ATOM 0 H ILE A 81 1.288 13.175 -11.534 1.00 0.00 H new ATOM 0 HA ILE A 81 3.081 13.741 -9.352 1.00 0.00 H new ATOM 0 HB ILE A 81 2.622 11.376 -8.389 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.038 11.865 -9.778 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.149 10.674 -10.273 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.873 12.179 -6.868 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.144 13.397 -7.130 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.572 13.561 -7.949 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.646 9.637 -8.980 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.902 9.511 -8.112 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.303 10.720 -7.610 1.00 0.00 H new ATOM 1246 N HIS A 82 4.706 12.170 -10.425 1.00 0.00 N ATOM 1247 CA HIS A 82 5.645 11.204 -10.954 1.00 0.00 C ATOM 1248 C HIS A 82 5.845 10.123 -9.907 1.00 0.00 C ATOM 1249 O HIS A 82 6.736 10.213 -9.060 1.00 0.00 O ATOM 1250 CB HIS A 82 6.981 11.861 -11.326 1.00 0.00 C ATOM 1251 CG HIS A 82 7.955 10.924 -11.974 1.00 0.00 C ATOM 1252 ND1 HIS A 82 9.259 10.782 -11.556 1.00 0.00 N ATOM 1253 CD2 HIS A 82 7.808 10.085 -13.027 1.00 0.00 C ATOM 1254 CE1 HIS A 82 9.871 9.896 -12.318 1.00 0.00 C ATOM 1255 NE2 HIS A 82 9.013 9.458 -13.220 1.00 0.00 N ATOM 0 H HIS A 82 5.124 12.891 -9.837 1.00 0.00 H new ATOM 0 HA HIS A 82 5.246 10.771 -11.871 1.00 0.00 H new ATOM 0 HB2 HIS A 82 6.790 12.695 -12.001 1.00 0.00 H new ATOM 0 HB3 HIS A 82 7.434 12.276 -10.426 1.00 0.00 H new ATOM 0 HD2 HIS A 82 6.909 9.937 -13.607 1.00 0.00 H new ATOM 0 HE1 HIS A 82 10.900 9.582 -12.220 1.00 0.00 H new ATOM 0 HE2 HIS A 82 9.213 8.766 -13.943 1.00 0.00 H new ATOM 1264 N GLY A 83 4.972 9.131 -9.935 1.00 0.00 N ATOM 1265 CA GLY A 83 4.991 8.109 -8.921 1.00 0.00 C ATOM 1266 C GLY A 83 5.996 7.028 -9.212 1.00 0.00 C ATOM 1267 O GLY A 83 6.217 6.666 -10.365 1.00 0.00 O ATOM 0 H GLY A 83 4.249 9.018 -10.646 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.219 8.563 -7.957 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.999 7.665 -8.838 1.00 0.00 H new ATOM 1271 N THR A 84 6.627 6.546 -8.162 1.00 0.00 N ATOM 1272 CA THR A 84 7.557 5.442 -8.240 1.00 0.00 C ATOM 1273 C THR A 84 7.621 4.758 -6.882 1.00 0.00 C ATOM 1274 O THR A 84 7.396 5.387 -5.849 1.00 0.00 O ATOM 1275 CB THR A 84 8.975 5.906 -8.616 1.00 0.00 C ATOM 1276 OG1 THR A 84 8.922 6.964 -9.582 1.00 0.00 O ATOM 1277 CG2 THR A 84 9.777 4.757 -9.189 1.00 0.00 C ATOM 0 H THR A 84 6.506 6.915 -7.219 1.00 0.00 H new ATOM 0 HA THR A 84 7.203 4.762 -9.015 1.00 0.00 H new ATOM 0 HB THR A 84 9.457 6.269 -7.708 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.833 7.247 -9.808 1.00 0.00 H new ATOM 0 HG21 THR A 84 10.777 5.105 -9.449 1.00 0.00 H new ATOM 0 HG22 THR A 84 9.851 3.960 -8.449 1.00 0.00 H new ATOM 0 HG23 THR A 84 9.281 4.377 -10.083 1.00 0.00 H new ATOM 1285 N ALA A 85 7.906 3.482 -6.880 1.00 0.00 N ATOM 1286 CA ALA A 85 8.072 2.753 -5.643 1.00 0.00 C ATOM 1287 C ALA A 85 8.933 1.533 -5.877 1.00 0.00 C ATOM 1288 O ALA A 85 8.714 0.778 -6.825 1.00 0.00 O ATOM 1289 CB ALA A 85 6.722 2.355 -5.062 1.00 0.00 C ATOM 0 H ALA A 85 8.029 2.921 -7.723 1.00 0.00 H new ATOM 0 HA ALA A 85 8.568 3.401 -4.920 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.873 1.808 -4.132 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.133 3.250 -4.865 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.192 1.722 -5.773 1.00 0.00 H new ATOM 1295 N ASP A 86 9.903 1.343 -5.015 1.00 0.00 N ATOM 1296 CA ASP A 86 10.790 0.208 -5.114 1.00 0.00 C ATOM 1297 C ASP A 86 10.486 -0.788 -4.013 1.00 0.00 C ATOM 1298 O ASP A 86 10.593 -0.480 -2.828 1.00 0.00 O ATOM 1299 CB ASP A 86 12.261 0.649 -5.090 1.00 0.00 C ATOM 1300 CG ASP A 86 12.562 1.764 -4.099 1.00 0.00 C ATOM 1301 OD1 ASP A 86 12.074 2.901 -4.304 1.00 0.00 O ATOM 1302 OD2 ASP A 86 13.333 1.527 -3.148 1.00 0.00 O ATOM 0 H ASP A 86 10.099 1.965 -4.231 1.00 0.00 H new ATOM 0 HA ASP A 86 10.621 -0.284 -6.072 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.883 -0.213 -4.850 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.546 0.979 -6.089 1.00 0.00 H new ATOM 1307 N ILE A 87 10.061 -1.975 -4.413 1.00 0.00 N ATOM 1308 CA ILE A 87 9.663 -2.991 -3.457 1.00 0.00 C ATOM 1309 C ILE A 87 10.717 -4.083 -3.342 1.00 0.00 C ATOM 1310 O ILE A 87 11.465 -4.353 -4.288 1.00 0.00 O ATOM 1311 CB ILE A 87 8.304 -3.615 -3.834 1.00 0.00 C ATOM 1312 CG1 ILE A 87 8.342 -4.190 -5.255 1.00 0.00 C ATOM 1313 CG2 ILE A 87 7.202 -2.574 -3.709 1.00 0.00 C ATOM 1314 CD1 ILE A 87 7.034 -4.817 -5.689 1.00 0.00 C ATOM 0 H ILE A 87 9.983 -2.257 -5.390 1.00 0.00 H new ATOM 0 HA ILE A 87 9.563 -2.498 -2.490 1.00 0.00 H new ATOM 0 HB ILE A 87 8.096 -4.434 -3.146 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.604 -3.395 -5.953 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.132 -4.939 -5.314 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.245 -3.023 -3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.158 -2.212 -2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.412 -1.740 -4.379 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.134 -5.203 -6.704 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.781 -5.634 -5.014 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.244 -4.066 -5.663 1.00 0.00 H new ATOM 1326 N TYR A 88 10.761 -4.712 -2.179 1.00 0.00 N ATOM 1327 CA TYR A 88 11.774 -5.705 -1.878 1.00 0.00 C ATOM 1328 C TYR A 88 11.156 -6.906 -1.184 1.00 0.00 C ATOM 1329 O TYR A 88 10.043 -6.834 -0.664 1.00 0.00 O ATOM 1330 CB TYR A 88 12.872 -5.092 -1.001 1.00 0.00 C ATOM 1331 CG TYR A 88 13.709 -4.056 -1.719 1.00 0.00 C ATOM 1332 CD1 TYR A 88 13.232 -2.765 -1.910 1.00 0.00 C ATOM 1333 CD2 TYR A 88 14.959 -4.375 -2.226 1.00 0.00 C ATOM 1334 CE1 TYR A 88 13.979 -1.820 -2.582 1.00 0.00 C ATOM 1335 CE2 TYR A 88 15.712 -3.436 -2.903 1.00 0.00 C ATOM 1336 CZ TYR A 88 15.219 -2.160 -3.079 1.00 0.00 C ATOM 1337 OH TYR A 88 15.962 -1.226 -3.764 1.00 0.00 O ATOM 0 H TYR A 88 10.098 -4.548 -1.421 1.00 0.00 H new ATOM 0 HA TYR A 88 12.218 -6.040 -2.815 1.00 0.00 H new ATOM 0 HB2 TYR A 88 12.413 -4.633 -0.125 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.524 -5.887 -0.640 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.259 -2.497 -1.525 1.00 0.00 H new ATOM 0 HD2 TYR A 88 15.350 -5.373 -2.090 1.00 0.00 H new ATOM 0 HE1 TYR A 88 13.595 -0.820 -2.718 1.00 0.00 H new ATOM 0 HE2 TYR A 88 16.684 -3.700 -3.293 1.00 0.00 H new ATOM 0 HH TYR A 88 16.811 -1.626 -4.046 1.00 0.00 H new ATOM 1347 N LYS A 89 11.871 -8.012 -1.216 1.00 0.00 N ATOM 1348 CA LYS A 89 11.447 -9.230 -0.554 1.00 0.00 C ATOM 1349 C LYS A 89 12.553 -9.765 0.324 1.00 0.00 C ATOM 1350 O LYS A 89 13.717 -9.431 0.126 1.00 0.00 O ATOM 1351 CB LYS A 89 11.087 -10.291 -1.590 1.00 0.00 C ATOM 1352 CG LYS A 89 9.712 -10.113 -2.175 1.00 0.00 C ATOM 1353 CD LYS A 89 8.639 -10.437 -1.144 1.00 0.00 C ATOM 1354 CE LYS A 89 8.614 -11.917 -0.802 1.00 0.00 C ATOM 1355 NZ LYS A 89 8.098 -12.742 -1.924 1.00 0.00 N ATOM 0 H LYS A 89 12.764 -8.092 -1.702 1.00 0.00 H new ATOM 0 HA LYS A 89 10.575 -8.999 0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 89 11.822 -10.267 -2.395 1.00 0.00 H new ATOM 0 HB3 LYS A 89 11.153 -11.276 -1.128 1.00 0.00 H new ATOM 0 HG2 LYS A 89 9.590 -9.087 -2.523 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.595 -10.761 -3.044 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.818 -9.858 -0.238 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.664 -10.136 -1.527 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.621 -12.246 -0.544 1.00 0.00 H new ATOM 0 HE3 LYS A 89 7.992 -12.074 0.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.954 -13.719 -1.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.193 -12.351 -2.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 8.785 -12.734 -2.705 1.00 0.00 H new ATOM 1369 N LYS A 90 12.192 -10.586 1.293 1.00 0.00 N ATOM 1370 CA LYS A 90 13.185 -11.322 2.057 1.00 0.00 C ATOM 1371 C LYS A 90 13.927 -12.288 1.151 1.00 0.00 C ATOM 1372 O LYS A 90 13.379 -12.773 0.157 1.00 0.00 O ATOM 1373 CB LYS A 90 12.537 -12.111 3.194 1.00 0.00 C ATOM 1374 CG LYS A 90 12.831 -11.561 4.576 1.00 0.00 C ATOM 1375 CD LYS A 90 12.101 -10.256 4.819 1.00 0.00 C ATOM 1376 CE LYS A 90 12.375 -9.716 6.211 1.00 0.00 C ATOM 1377 NZ LYS A 90 11.715 -8.403 6.430 1.00 0.00 N ATOM 0 H LYS A 90 11.226 -10.760 1.569 1.00 0.00 H new ATOM 0 HA LYS A 90 13.879 -10.597 2.482 1.00 0.00 H new ATOM 0 HB2 LYS A 90 11.458 -12.125 3.043 1.00 0.00 H new ATOM 0 HB3 LYS A 90 12.880 -13.145 3.146 1.00 0.00 H new ATOM 0 HG2 LYS A 90 12.536 -12.291 5.330 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.904 -11.405 4.686 1.00 0.00 H new ATOM 0 HD2 LYS A 90 12.410 -9.521 4.075 1.00 0.00 H new ATOM 0 HD3 LYS A 90 11.029 -10.408 4.691 1.00 0.00 H new ATOM 0 HE2 LYS A 90 12.021 -10.430 6.955 1.00 0.00 H new ATOM 0 HE3 LYS A 90 13.450 -9.612 6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.415 -8.327 7.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 12.384 -7.637 6.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 10.884 -8.325 5.810 1.00 0.00 H new ATOM 1391 N LYS A 91 15.168 -12.564 1.497 1.00 0.00 N ATOM 1392 CA LYS A 91 15.954 -13.545 0.771 1.00 0.00 C ATOM 1393 C LYS A 91 15.489 -14.950 1.126 1.00 0.00 C ATOM 1394 O LYS A 91 14.645 -15.135 2.009 1.00 0.00 O ATOM 1395 CB LYS A 91 17.439 -13.408 1.093 1.00 0.00 C ATOM 1396 CG LYS A 91 18.145 -12.266 0.377 1.00 0.00 C ATOM 1397 CD LYS A 91 19.591 -12.179 0.839 1.00 0.00 C ATOM 1398 CE LYS A 91 20.506 -11.532 -0.194 1.00 0.00 C ATOM 1399 NZ LYS A 91 20.435 -10.048 -0.177 1.00 0.00 N ATOM 0 H LYS A 91 15.656 -12.123 2.277 1.00 0.00 H new ATOM 0 HA LYS A 91 15.811 -13.367 -0.295 1.00 0.00 H new ATOM 0 HB2 LYS A 91 17.552 -13.269 2.168 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.939 -14.342 0.838 1.00 0.00 H new ATOM 0 HG2 LYS A 91 18.108 -12.423 -0.701 1.00 0.00 H new ATOM 0 HG3 LYS A 91 17.632 -11.326 0.580 1.00 0.00 H new ATOM 0 HD2 LYS A 91 19.637 -11.608 1.766 1.00 0.00 H new ATOM 0 HD3 LYS A 91 19.956 -13.181 1.064 1.00 0.00 H new ATOM 0 HE2 LYS A 91 21.534 -11.844 -0.008 1.00 0.00 H new ATOM 0 HE3 LYS A 91 20.238 -11.893 -1.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 21.038 -9.663 -0.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 19.452 -9.746 -0.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 20.766 -9.695 0.744 1.00 0.00 H new ATOM 1413 N LEU A 92 16.061 -15.939 0.456 1.00 0.00 N ATOM 1414 CA LEU A 92 15.699 -17.329 0.705 1.00 0.00 C ATOM 1415 C LEU A 92 16.492 -17.859 1.888 1.00 0.00 C ATOM 1416 O LEU A 92 16.091 -18.810 2.562 1.00 0.00 O ATOM 1417 CB LEU A 92 15.937 -18.207 -0.534 1.00 0.00 C ATOM 1418 CG LEU A 92 17.402 -18.427 -0.935 1.00 0.00 C ATOM 1419 CD1 LEU A 92 17.546 -19.740 -1.684 1.00 0.00 C ATOM 1420 CD2 LEU A 92 17.915 -17.285 -1.798 1.00 0.00 C ATOM 0 H LEU A 92 16.774 -15.808 -0.261 1.00 0.00 H new ATOM 0 HA LEU A 92 14.634 -17.368 0.933 1.00 0.00 H new ATOM 0 HB2 LEU A 92 15.480 -19.181 -0.357 1.00 0.00 H new ATOM 0 HB3 LEU A 92 15.414 -17.758 -1.378 1.00 0.00 H new ATOM 0 HG LEU A 92 17.998 -18.461 -0.023 1.00 0.00 H new ATOM 0 HD11 LEU A 92 18.589 -19.887 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 92 17.223 -20.561 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 92 16.929 -19.716 -2.582 1.00 0.00 H new ATOM 0 HD21 LEU A 92 18.955 -17.470 -2.066 1.00 0.00 H new ATOM 0 HD22 LEU A 92 17.314 -17.216 -2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 92 17.844 -16.349 -1.243 1.00 0.00 H new ATOM 1432 N GLU A 93 17.613 -17.210 2.136 1.00 0.00 N ATOM 1433 CA GLU A 93 18.484 -17.558 3.240 1.00 0.00 C ATOM 1434 C GLU A 93 17.990 -16.911 4.526 1.00 0.00 C ATOM 1435 O GLU A 93 17.988 -15.687 4.656 1.00 0.00 O ATOM 1436 CB GLU A 93 19.920 -17.118 2.938 1.00 0.00 C ATOM 1437 CG GLU A 93 20.871 -17.271 4.114 1.00 0.00 C ATOM 1438 CD GLU A 93 22.290 -16.867 3.773 1.00 0.00 C ATOM 1439 OE1 GLU A 93 22.493 -15.717 3.332 1.00 0.00 O ATOM 1440 OE2 GLU A 93 23.202 -17.707 3.931 1.00 0.00 O ATOM 0 H GLU A 93 17.945 -16.425 1.576 1.00 0.00 H new ATOM 0 HA GLU A 93 18.471 -18.640 3.370 1.00 0.00 H new ATOM 0 HB2 GLU A 93 20.299 -17.701 2.098 1.00 0.00 H new ATOM 0 HB3 GLU A 93 19.911 -16.074 2.624 1.00 0.00 H new ATOM 0 HG2 GLU A 93 20.514 -16.664 4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 93 20.863 -18.308 4.450 1.00 0.00 H new