USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=24 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 38:sc= 1.33 USER MOD Set 1.2: A 84 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 44 SER OG : rot 22:sc= 0.251 USER MOD Set 2.2: A 46 THR OG1 : rot -65:sc= 1.37 USER MOD Set 2.3: A 82 HIS : no HE2:sc= 0.903 K(o=2.5,f=-6.1!) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 166:sc= -0.0295 (180deg=-0.244) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 169:sc= -0.0254 (180deg=-0.221) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot -174:sc= 1.19 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.291 USER MOD Single : A 39 LYS NZ :NH3+ -147:sc= -0.385 (180deg=-0.491) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 47:sc= 0.0298 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 172:sc= 0.923 (180deg=0.877) USER MOD Single : A 61 LYS NZ :NH3+ 160:sc= -0.0446 (180deg=-0.318) USER MOD Single : A 65 LYS NZ :NH3+ 159:sc= -0.207 (180deg=-0.873) USER MOD Single : A 74 SER OG : rot 43:sc= -0.205 USER MOD Single : A 76 GLN : amide:sc= 0.329 K(o=0.33,f=-10!) USER MOD Single : A 77 THR OG1 : rot -150:sc= -0.0666 USER MOD Single : A 79 ASN : amide:sc= -0.0854 K(o=-0.085,f=-2.1!) 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+ -150:sc= 1.28 (180deg=-0.123) USER MOD Single : A 90 LYS NZ :NH3+ 151:sc= 0.934 (180deg=-1.13!) USER MOD Single : A 91 LYS NZ :NH3+ 156:sc= 1.15 (180deg=0.736) USER MOD ----------------------------------------------------------------- ATOM 328 N ALA A 22 3.705 -6.740 3.077 1.00 0.00 N ATOM 329 CA ALA A 22 4.310 -5.478 2.647 1.00 0.00 C ATOM 330 C ALA A 22 4.221 -4.396 3.727 1.00 0.00 C ATOM 331 O ALA A 22 3.139 -3.896 4.043 1.00 0.00 O ATOM 332 CB ALA A 22 3.655 -4.996 1.358 1.00 0.00 C ATOM 0 HA ALA A 22 5.368 -5.667 2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.112 -4.057 1.047 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.795 -5.744 0.577 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.589 -4.842 1.527 1.00 0.00 H new ATOM 338 N GLU A 23 5.368 -4.052 4.295 1.00 0.00 N ATOM 339 CA GLU A 23 5.445 -3.037 5.336 1.00 0.00 C ATOM 340 C GLU A 23 6.393 -1.913 4.942 1.00 0.00 C ATOM 341 O GLU A 23 7.320 -2.115 4.154 1.00 0.00 O ATOM 342 CB GLU A 23 5.914 -3.668 6.647 1.00 0.00 C ATOM 343 CG GLU A 23 4.783 -4.195 7.514 1.00 0.00 C ATOM 344 CD GLU A 23 4.010 -3.078 8.184 1.00 0.00 C ATOM 345 OE1 GLU A 23 3.050 -2.562 7.579 1.00 0.00 O ATOM 346 OE2 GLU A 23 4.371 -2.700 9.323 1.00 0.00 O ATOM 0 H GLU A 23 6.267 -4.466 4.049 1.00 0.00 H new ATOM 0 HA GLU A 23 4.449 -2.615 5.468 1.00 0.00 H new ATOM 0 HB2 GLU A 23 6.598 -4.486 6.421 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.479 -2.928 7.214 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.104 -4.789 6.902 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.190 -4.861 8.275 1.00 0.00 H new ATOM 353 N ILE A 24 6.150 -0.731 5.499 1.00 0.00 N ATOM 354 CA ILE A 24 7.009 0.427 5.273 1.00 0.00 C ATOM 355 C ILE A 24 8.149 0.437 6.293 1.00 0.00 C ATOM 356 O ILE A 24 7.932 0.154 7.475 1.00 0.00 O ATOM 357 CB ILE A 24 6.204 1.749 5.401 1.00 0.00 C ATOM 358 CG1 ILE A 24 5.137 1.852 4.306 1.00 0.00 C ATOM 359 CG2 ILE A 24 7.129 2.956 5.353 1.00 0.00 C ATOM 360 CD1 ILE A 24 5.699 2.030 2.910 1.00 0.00 C ATOM 0 H ILE A 24 5.358 -0.549 6.116 1.00 0.00 H new ATOM 0 HA ILE A 24 7.413 0.355 4.263 1.00 0.00 H new ATOM 0 HB ILE A 24 5.702 1.738 6.368 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.522 0.952 4.327 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.480 2.692 4.532 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.541 3.869 5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.843 2.900 6.175 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.667 2.965 4.405 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.880 2.094 2.194 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.289 2.945 2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.332 1.178 2.661 1.00 0.00 H new ATOM 372 N MET A 25 9.356 0.754 5.838 1.00 0.00 N ATOM 373 CA MET A 25 10.515 0.817 6.725 1.00 0.00 C ATOM 374 C MET A 25 11.205 2.175 6.630 1.00 0.00 C ATOM 375 O MET A 25 11.009 2.918 5.665 1.00 0.00 O ATOM 376 CB MET A 25 11.515 -0.297 6.392 1.00 0.00 C ATOM 377 CG MET A 25 10.976 -1.700 6.625 1.00 0.00 C ATOM 378 SD MET A 25 10.435 -1.961 8.323 1.00 0.00 S ATOM 379 CE MET A 25 9.883 -3.659 8.241 1.00 0.00 C ATOM 0 H MET A 25 9.559 0.971 4.862 1.00 0.00 H new ATOM 0 HA MET A 25 10.157 0.679 7.745 1.00 0.00 H new ATOM 0 HB2 MET A 25 11.815 -0.202 5.348 1.00 0.00 H new ATOM 0 HB3 MET A 25 12.412 -0.158 6.995 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.140 -1.881 5.949 1.00 0.00 H new ATOM 0 HG3 MET A 25 11.749 -2.428 6.378 1.00 0.00 H new ATOM 0 HE1 MET A 25 9.517 -3.970 9.219 1.00 0.00 H new ATOM 0 HE2 MET A 25 9.080 -3.746 7.509 1.00 0.00 H new ATOM 0 HE3 MET A 25 10.715 -4.298 7.945 1.00 0.00 H new ATOM 389 N LYS A 26 11.999 2.498 7.647 1.00 0.00 N ATOM 390 CA LYS A 26 12.781 3.723 7.657 1.00 0.00 C ATOM 391 C LYS A 26 13.970 3.591 6.716 1.00 0.00 C ATOM 392 O LYS A 26 14.373 2.483 6.391 1.00 0.00 O ATOM 393 CB LYS A 26 13.275 4.017 9.073 1.00 0.00 C ATOM 394 CG LYS A 26 12.157 4.173 10.088 1.00 0.00 C ATOM 395 CD LYS A 26 12.693 4.602 11.442 1.00 0.00 C ATOM 396 CE LYS A 26 11.584 4.697 12.478 1.00 0.00 C ATOM 397 NZ LYS A 26 10.953 3.377 12.741 1.00 0.00 N ATOM 0 H LYS A 26 12.116 1.921 8.480 1.00 0.00 H new ATOM 0 HA LYS A 26 12.149 4.545 7.321 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.935 3.211 9.393 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.871 4.930 9.059 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.438 4.910 9.729 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.622 3.229 10.190 1.00 0.00 H new ATOM 0 HD2 LYS A 26 13.446 3.889 11.778 1.00 0.00 H new ATOM 0 HD3 LYS A 26 13.188 5.569 11.348 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.989 5.097 13.408 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.825 5.399 12.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 10.378 3.433 13.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.346 3.116 11.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.693 2.657 12.863 1.00 0.00 H new ATOM 411 N LYS A 27 14.549 4.714 6.306 1.00 0.00 N ATOM 412 CA LYS A 27 15.631 4.708 5.321 1.00 0.00 C ATOM 413 C LYS A 27 16.811 3.845 5.777 1.00 0.00 C ATOM 414 O LYS A 27 17.250 2.950 5.054 1.00 0.00 O ATOM 415 CB LYS A 27 16.115 6.134 5.050 1.00 0.00 C ATOM 416 CG LYS A 27 17.217 6.217 4.006 1.00 0.00 C ATOM 417 CD LYS A 27 16.718 5.822 2.625 1.00 0.00 C ATOM 418 CE LYS A 27 17.861 5.744 1.623 1.00 0.00 C ATOM 419 NZ LYS A 27 17.378 5.539 0.231 1.00 0.00 N ATOM 0 H LYS A 27 14.289 5.642 6.639 1.00 0.00 H new ATOM 0 HA LYS A 27 15.230 4.277 4.404 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.270 6.739 4.722 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.476 6.569 5.982 1.00 0.00 H new ATOM 0 HG2 LYS A 27 17.611 7.233 3.973 1.00 0.00 H new ATOM 0 HG3 LYS A 27 18.041 5.565 4.295 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.214 4.857 2.681 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.980 6.547 2.282 1.00 0.00 H new ATOM 0 HE2 LYS A 27 18.446 6.662 1.671 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.527 4.927 1.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 18.191 5.492 -0.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.841 4.650 0.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.763 6.332 -0.043 1.00 0.00 H new ATOM 433 N THR A 28 17.311 4.108 6.980 1.00 0.00 N ATOM 434 CA THR A 28 18.482 3.402 7.490 1.00 0.00 C ATOM 435 C THR A 28 18.154 1.941 7.800 1.00 0.00 C ATOM 436 O THR A 28 18.955 1.040 7.545 1.00 0.00 O ATOM 437 CB THR A 28 19.054 4.105 8.748 1.00 0.00 C ATOM 438 OG1 THR A 28 20.231 3.428 9.211 1.00 0.00 O ATOM 439 CG2 THR A 28 18.023 4.169 9.870 1.00 0.00 C ATOM 0 H THR A 28 16.925 4.803 7.619 1.00 0.00 H new ATOM 0 HA THR A 28 19.243 3.423 6.710 1.00 0.00 H new ATOM 0 HB THR A 28 19.313 5.125 8.463 1.00 0.00 H new ATOM 0 HG1 THR A 28 20.580 3.885 10.004 1.00 0.00 H new ATOM 0 HG21 THR A 28 18.458 4.668 10.736 1.00 0.00 H new ATOM 0 HG22 THR A 28 17.150 4.727 9.531 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.723 3.158 10.147 1.00 0.00 H new ATOM 447 N ASP A 29 16.955 1.716 8.314 1.00 0.00 N ATOM 448 CA ASP A 29 16.499 0.379 8.675 1.00 0.00 C ATOM 449 C ASP A 29 16.236 -0.446 7.423 1.00 0.00 C ATOM 450 O ASP A 29 16.548 -1.636 7.376 1.00 0.00 O ATOM 451 CB ASP A 29 15.236 0.499 9.534 1.00 0.00 C ATOM 452 CG ASP A 29 14.740 -0.828 10.072 1.00 0.00 C ATOM 453 OD1 ASP A 29 15.237 -1.268 11.131 1.00 0.00 O ATOM 454 OD2 ASP A 29 13.817 -1.405 9.468 1.00 0.00 O ATOM 0 H ASP A 29 16.271 2.451 8.493 1.00 0.00 H new ATOM 0 HA ASP A 29 17.271 -0.133 9.250 1.00 0.00 H new ATOM 0 HB2 ASP A 29 15.438 1.168 10.370 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.446 0.959 8.941 1.00 0.00 H new ATOM 459 N PHE A 30 15.695 0.205 6.400 1.00 0.00 N ATOM 460 CA PHE A 30 15.469 -0.426 5.109 1.00 0.00 C ATOM 461 C PHE A 30 16.787 -0.883 4.498 1.00 0.00 C ATOM 462 O PHE A 30 16.882 -1.979 3.959 1.00 0.00 O ATOM 463 CB PHE A 30 14.755 0.547 4.164 1.00 0.00 C ATOM 464 CG PHE A 30 14.667 0.072 2.742 1.00 0.00 C ATOM 465 CD1 PHE A 30 13.850 -0.990 2.399 1.00 0.00 C ATOM 466 CD2 PHE A 30 15.399 0.699 1.746 1.00 0.00 C ATOM 467 CE1 PHE A 30 13.771 -1.426 1.091 1.00 0.00 C ATOM 468 CE2 PHE A 30 15.324 0.268 0.437 1.00 0.00 C ATOM 469 CZ PHE A 30 14.506 -0.793 0.109 1.00 0.00 C ATOM 0 H PHE A 30 15.402 1.181 6.443 1.00 0.00 H new ATOM 0 HA PHE A 30 14.837 -1.301 5.257 1.00 0.00 H new ATOM 0 HB2 PHE A 30 13.747 0.726 4.538 1.00 0.00 H new ATOM 0 HB3 PHE A 30 15.277 1.504 4.184 1.00 0.00 H new ATOM 0 HD1 PHE A 30 13.267 -1.484 3.163 1.00 0.00 H new ATOM 0 HD2 PHE A 30 16.036 1.535 1.997 1.00 0.00 H new ATOM 0 HE1 PHE A 30 13.135 -2.261 0.837 1.00 0.00 H new ATOM 0 HE2 PHE A 30 15.905 0.761 -0.329 1.00 0.00 H new ATOM 0 HZ PHE A 30 14.441 -1.128 -0.916 1.00 0.00 H new ATOM 479 N ASP A 31 17.809 -0.046 4.608 1.00 0.00 N ATOM 480 CA ASP A 31 19.123 -0.370 4.059 1.00 0.00 C ATOM 481 C ASP A 31 19.735 -1.555 4.795 1.00 0.00 C ATOM 482 O ASP A 31 20.460 -2.364 4.211 1.00 0.00 O ATOM 483 CB ASP A 31 20.049 0.850 4.151 1.00 0.00 C ATOM 484 CG ASP A 31 21.421 0.607 3.550 1.00 0.00 C ATOM 485 OD1 ASP A 31 21.592 0.826 2.331 1.00 0.00 O ATOM 486 OD2 ASP A 31 22.342 0.213 4.292 1.00 0.00 O ATOM 0 H ASP A 31 17.756 0.861 5.071 1.00 0.00 H new ATOM 0 HA ASP A 31 19.003 -0.643 3.011 1.00 0.00 H new ATOM 0 HB2 ASP A 31 19.581 1.692 3.642 1.00 0.00 H new ATOM 0 HB3 ASP A 31 20.163 1.133 5.197 1.00 0.00 H new ATOM 491 N LYS A 32 19.412 -1.663 6.072 1.00 0.00 N ATOM 492 CA LYS A 32 19.907 -2.745 6.908 1.00 0.00 C ATOM 493 C LYS A 32 19.157 -4.040 6.620 1.00 0.00 C ATOM 494 O LYS A 32 19.760 -5.112 6.539 1.00 0.00 O ATOM 495 CB LYS A 32 19.776 -2.357 8.387 1.00 0.00 C ATOM 496 CG LYS A 32 21.069 -1.866 9.022 1.00 0.00 C ATOM 497 CD LYS A 32 21.645 -0.680 8.270 1.00 0.00 C ATOM 498 CE LYS A 32 22.902 -0.145 8.938 1.00 0.00 C ATOM 499 NZ LYS A 32 23.952 -1.189 9.066 1.00 0.00 N ATOM 0 H LYS A 32 18.802 -1.006 6.558 1.00 0.00 H new ATOM 0 HA LYS A 32 20.959 -2.914 6.679 1.00 0.00 H new ATOM 0 HB2 LYS A 32 19.020 -1.577 8.481 1.00 0.00 H new ATOM 0 HB3 LYS A 32 19.415 -3.220 8.946 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.882 -1.585 10.058 1.00 0.00 H new ATOM 0 HG3 LYS A 32 21.798 -2.676 9.038 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.875 -0.975 7.246 1.00 0.00 H new ATOM 0 HD3 LYS A 32 20.898 0.112 8.213 1.00 0.00 H new ATOM 0 HE2 LYS A 32 23.292 0.692 8.359 1.00 0.00 H new ATOM 0 HE3 LYS A 32 22.651 0.240 9.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 24.849 -0.746 9.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.665 -1.884 9.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 24.078 -1.669 8.152 1.00 0.00 H new ATOM 513 N VAL A 33 17.848 -3.947 6.443 1.00 0.00 N ATOM 514 CA VAL A 33 17.055 -5.137 6.168 1.00 0.00 C ATOM 515 C VAL A 33 17.174 -5.560 4.705 1.00 0.00 C ATOM 516 O VAL A 33 17.012 -6.733 4.386 1.00 0.00 O ATOM 517 CB VAL A 33 15.564 -4.962 6.534 1.00 0.00 C ATOM 518 CG1 VAL A 33 15.402 -4.668 8.018 1.00 0.00 C ATOM 519 CG2 VAL A 33 14.902 -3.877 5.695 1.00 0.00 C ATOM 0 H VAL A 33 17.319 -3.076 6.484 1.00 0.00 H new ATOM 0 HA VAL A 33 17.465 -5.920 6.806 1.00 0.00 H new ATOM 0 HB VAL A 33 15.061 -5.903 6.311 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.344 -4.549 8.252 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.811 -5.494 8.599 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.934 -3.750 8.267 1.00 0.00 H new ATOM 0 HG21 VAL A 33 13.855 -3.784 5.982 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.410 -2.927 5.862 1.00 0.00 H new ATOM 0 HG23 VAL A 33 14.967 -4.142 4.640 1.00 0.00 H new ATOM 529 N ALA A 34 17.489 -4.607 3.824 1.00 0.00 N ATOM 530 CA ALA A 34 17.613 -4.890 2.390 1.00 0.00 C ATOM 531 C ALA A 34 18.687 -5.937 2.120 1.00 0.00 C ATOM 532 O ALA A 34 18.672 -6.607 1.089 1.00 0.00 O ATOM 533 CB ALA A 34 17.925 -3.617 1.617 1.00 0.00 C ATOM 0 H ALA A 34 17.663 -3.634 4.077 1.00 0.00 H new ATOM 0 HA ALA A 34 16.656 -5.287 2.051 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.013 -3.848 0.555 1.00 0.00 H new ATOM 0 HB2 ALA A 34 17.122 -2.895 1.766 1.00 0.00 H new ATOM 0 HB3 ALA A 34 18.864 -3.195 1.975 1.00 0.00 H new ATOM 539 N SER A 35 19.614 -6.074 3.057 1.00 0.00 N ATOM 540 CA SER A 35 20.688 -7.046 2.943 1.00 0.00 C ATOM 541 C SER A 35 20.128 -8.473 2.932 1.00 0.00 C ATOM 542 O SER A 35 20.662 -9.358 2.255 1.00 0.00 O ATOM 543 CB SER A 35 21.685 -6.847 4.096 1.00 0.00 C ATOM 544 OG SER A 35 22.682 -7.855 4.103 1.00 0.00 O ATOM 0 H SER A 35 19.642 -5.518 3.912 1.00 0.00 H new ATOM 0 HA SER A 35 21.212 -6.894 1.999 1.00 0.00 H new ATOM 0 HB2 SER A 35 22.157 -5.868 4.005 1.00 0.00 H new ATOM 0 HB3 SER A 35 21.150 -6.856 5.046 1.00 0.00 H new ATOM 0 HG SER A 35 23.300 -7.698 4.847 1.00 0.00 H new ATOM 550 N GLU A 36 19.034 -8.689 3.656 1.00 0.00 N ATOM 551 CA GLU A 36 18.422 -10.009 3.747 1.00 0.00 C ATOM 552 C GLU A 36 17.117 -10.054 2.959 1.00 0.00 C ATOM 553 O GLU A 36 16.214 -10.842 3.250 1.00 0.00 O ATOM 554 CB GLU A 36 18.193 -10.360 5.212 1.00 0.00 C ATOM 555 CG GLU A 36 19.411 -10.067 6.064 1.00 0.00 C ATOM 556 CD GLU A 36 19.398 -10.788 7.389 1.00 0.00 C ATOM 557 OE1 GLU A 36 19.508 -12.030 7.395 1.00 0.00 O ATOM 558 OE2 GLU A 36 19.306 -10.115 8.435 1.00 0.00 O ATOM 0 H GLU A 36 18.553 -7.965 4.189 1.00 0.00 H new ATOM 0 HA GLU A 36 19.093 -10.748 3.309 1.00 0.00 H new ATOM 0 HB2 GLU A 36 17.341 -9.795 5.591 1.00 0.00 H new ATOM 0 HB3 GLU A 36 17.938 -11.416 5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 36 20.308 -10.349 5.513 1.00 0.00 H new ATOM 0 HG3 GLU A 36 19.471 -8.993 6.243 1.00 0.00 H new ATOM 565 N TYR A 37 17.057 -9.231 1.927 1.00 0.00 N ATOM 566 CA TYR A 37 15.887 -9.125 1.067 1.00 0.00 C ATOM 567 C TYR A 37 16.336 -9.102 -0.389 1.00 0.00 C ATOM 568 O TYR A 37 17.526 -8.980 -0.668 1.00 0.00 O ATOM 569 CB TYR A 37 15.097 -7.855 1.386 1.00 0.00 C ATOM 570 CG TYR A 37 14.109 -8.007 2.521 1.00 0.00 C ATOM 571 CD1 TYR A 37 14.531 -8.261 3.817 1.00 0.00 C ATOM 572 CD2 TYR A 37 12.746 -7.902 2.289 1.00 0.00 C ATOM 573 CE1 TYR A 37 13.627 -8.400 4.851 1.00 0.00 C ATOM 574 CE2 TYR A 37 11.837 -8.039 3.315 1.00 0.00 C ATOM 575 CZ TYR A 37 12.280 -8.290 4.595 1.00 0.00 C ATOM 576 OH TYR A 37 11.370 -8.429 5.619 1.00 0.00 O ATOM 0 H TYR A 37 17.823 -8.613 1.659 1.00 0.00 H new ATOM 0 HA TYR A 37 15.240 -9.985 1.241 1.00 0.00 H new ATOM 0 HB2 TYR A 37 15.798 -7.058 1.634 1.00 0.00 H new ATOM 0 HB3 TYR A 37 14.560 -7.541 0.491 1.00 0.00 H new ATOM 0 HD1 TYR A 37 15.588 -8.352 4.022 1.00 0.00 H new ATOM 0 HD2 TYR A 37 12.391 -7.710 1.287 1.00 0.00 H new ATOM 0 HE1 TYR A 37 13.975 -8.594 5.855 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.779 -7.950 3.116 1.00 0.00 H new ATOM 0 HH TYR A 37 10.461 -8.418 5.253 1.00 0.00 H new ATOM 586 N THR A 38 15.391 -9.214 -1.308 1.00 0.00 N ATOM 587 CA THR A 38 15.698 -9.214 -2.731 1.00 0.00 C ATOM 588 C THR A 38 14.813 -8.196 -3.438 1.00 0.00 C ATOM 589 O THR A 38 13.705 -7.929 -2.995 1.00 0.00 O ATOM 590 CB THR A 38 15.483 -10.615 -3.341 1.00 0.00 C ATOM 591 OG1 THR A 38 16.167 -11.588 -2.546 1.00 0.00 O ATOM 592 CG2 THR A 38 15.991 -10.686 -4.774 1.00 0.00 C ATOM 0 H THR A 38 14.398 -9.307 -1.093 1.00 0.00 H new ATOM 0 HA THR A 38 16.746 -8.945 -2.864 1.00 0.00 H new ATOM 0 HB THR A 38 14.412 -10.819 -3.352 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.031 -12.479 -2.930 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.823 -11.687 -5.170 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.457 -9.959 -5.386 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.058 -10.463 -4.793 1.00 0.00 H new ATOM 600 N LYS A 39 15.291 -7.620 -4.518 1.00 0.00 N ATOM 601 CA LYS A 39 14.532 -6.600 -5.207 1.00 0.00 C ATOM 602 C LYS A 39 13.906 -7.169 -6.465 1.00 0.00 C ATOM 603 O LYS A 39 14.594 -7.518 -7.426 1.00 0.00 O ATOM 604 CB LYS A 39 15.398 -5.383 -5.532 1.00 0.00 C ATOM 605 CG LYS A 39 14.620 -4.270 -6.214 1.00 0.00 C ATOM 606 CD LYS A 39 15.356 -2.947 -6.152 1.00 0.00 C ATOM 607 CE LYS A 39 14.583 -1.855 -6.866 1.00 0.00 C ATOM 608 NZ LYS A 39 15.165 -0.513 -6.615 1.00 0.00 N ATOM 0 H LYS A 39 16.195 -7.838 -4.936 1.00 0.00 H new ATOM 0 HA LYS A 39 13.735 -6.266 -4.542 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.839 -5.000 -4.611 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.222 -5.691 -6.176 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.441 -4.537 -7.255 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.644 -4.165 -5.739 1.00 0.00 H new ATOM 0 HD2 LYS A 39 15.513 -2.664 -5.111 1.00 0.00 H new ATOM 0 HD3 LYS A 39 16.341 -3.055 -6.605 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.578 -2.054 -7.938 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.545 -1.869 -6.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.406 0.198 -6.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.655 -0.513 -5.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.842 -0.282 -7.370 1.00 0.00 H new ATOM 622 N ILE A 40 12.590 -7.266 -6.436 1.00 0.00 N ATOM 623 CA ILE A 40 11.829 -7.814 -7.549 1.00 0.00 C ATOM 624 C ILE A 40 11.593 -6.761 -8.627 1.00 0.00 C ATOM 625 O ILE A 40 11.088 -7.065 -9.707 1.00 0.00 O ATOM 626 CB ILE A 40 10.481 -8.399 -7.077 1.00 0.00 C ATOM 627 CG1 ILE A 40 9.790 -7.452 -6.085 1.00 0.00 C ATOM 628 CG2 ILE A 40 10.700 -9.773 -6.461 1.00 0.00 C ATOM 629 CD1 ILE A 40 8.474 -7.972 -5.553 1.00 0.00 C ATOM 0 H ILE A 40 12.018 -6.969 -5.645 1.00 0.00 H new ATOM 0 HA ILE A 40 12.423 -8.622 -7.976 1.00 0.00 H new ATOM 0 HB ILE A 40 9.824 -8.506 -7.940 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.462 -7.268 -5.247 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.619 -6.493 -6.573 1.00 0.00 H new ATOM 0 HG21 ILE A 40 9.744 -10.180 -6.130 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.140 -10.439 -7.203 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.372 -9.686 -5.608 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.050 -7.246 -4.859 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.783 -8.129 -6.381 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.639 -8.916 -5.034 1.00 0.00 H new ATOM 641 N GLY A 41 11.957 -5.522 -8.324 1.00 0.00 N ATOM 642 CA GLY A 41 11.875 -4.466 -9.307 1.00 0.00 C ATOM 643 C GLY A 41 11.159 -3.250 -8.773 1.00 0.00 C ATOM 644 O GLY A 41 10.569 -3.298 -7.694 1.00 0.00 O ATOM 0 H GLY A 41 12.308 -5.231 -7.412 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.880 -4.185 -9.622 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.355 -4.834 -10.191 1.00 0.00 H new ATOM 648 N THR A 42 11.222 -2.161 -9.516 1.00 0.00 N ATOM 649 CA THR A 42 10.520 -0.950 -9.143 1.00 0.00 C ATOM 650 C THR A 42 9.166 -0.898 -9.841 1.00 0.00 C ATOM 651 O THR A 42 8.988 -1.455 -10.927 1.00 0.00 O ATOM 652 CB THR A 42 11.336 0.301 -9.521 1.00 0.00 C ATOM 653 OG1 THR A 42 12.717 0.101 -9.187 1.00 0.00 O ATOM 654 CG2 THR A 42 10.818 1.542 -8.804 1.00 0.00 C ATOM 0 H THR A 42 11.754 -2.091 -10.384 1.00 0.00 H new ATOM 0 HA THR A 42 10.378 -0.961 -8.062 1.00 0.00 H new ATOM 0 HB THR A 42 11.231 0.456 -10.595 1.00 0.00 H new ATOM 0 HG1 THR A 42 13.231 0.899 -9.431 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.416 2.406 -9.094 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.777 1.713 -9.079 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.890 1.396 -7.726 1.00 0.00 H new ATOM 662 N ILE A 43 8.216 -0.244 -9.211 1.00 0.00 N ATOM 663 CA ILE A 43 6.899 -0.070 -9.795 1.00 0.00 C ATOM 664 C ILE A 43 6.582 1.413 -9.926 1.00 0.00 C ATOM 665 O ILE A 43 7.233 2.253 -9.300 1.00 0.00 O ATOM 666 CB ILE A 43 5.796 -0.767 -8.967 1.00 0.00 C ATOM 667 CG1 ILE A 43 5.842 -0.294 -7.515 1.00 0.00 C ATOM 668 CG2 ILE A 43 5.929 -2.284 -9.040 1.00 0.00 C ATOM 669 CD1 ILE A 43 4.835 -0.981 -6.615 1.00 0.00 C ATOM 0 H ILE A 43 8.329 0.179 -8.290 1.00 0.00 H new ATOM 0 HA ILE A 43 6.916 -0.536 -10.780 1.00 0.00 H new ATOM 0 HB ILE A 43 4.830 -0.495 -9.393 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.843 -0.463 -7.119 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.666 0.781 -7.487 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.140 -2.747 -8.448 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.842 -2.607 -10.077 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.901 -2.583 -8.647 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.929 -0.592 -5.601 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.827 -0.791 -6.985 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.024 -2.055 -6.611 1.00 0.00 H new ATOM 681 N SER A 44 5.579 1.727 -10.722 1.00 0.00 N ATOM 682 CA SER A 44 5.228 3.110 -10.992 1.00 0.00 C ATOM 683 C SER A 44 3.734 3.224 -11.275 1.00 0.00 C ATOM 684 O SER A 44 3.051 2.217 -11.475 1.00 0.00 O ATOM 685 CB SER A 44 6.038 3.630 -12.188 1.00 0.00 C ATOM 686 OG SER A 44 5.949 5.042 -12.315 1.00 0.00 O ATOM 0 H SER A 44 4.990 1.042 -11.195 1.00 0.00 H new ATOM 0 HA SER A 44 5.464 3.716 -10.117 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.083 3.341 -12.072 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.677 3.160 -13.103 1.00 0.00 H new ATOM 0 HG SER A 44 5.699 5.433 -11.452 1.00 0.00 H new ATOM 692 N THR A 45 3.235 4.446 -11.273 1.00 0.00 N ATOM 693 CA THR A 45 1.842 4.716 -11.590 1.00 0.00 C ATOM 694 C THR A 45 1.747 5.744 -12.702 1.00 0.00 C ATOM 695 O THR A 45 2.061 6.920 -12.508 1.00 0.00 O ATOM 696 CB THR A 45 1.055 5.219 -10.367 1.00 0.00 C ATOM 697 OG1 THR A 45 1.853 6.132 -9.607 1.00 0.00 O ATOM 698 CG2 THR A 45 0.619 4.063 -9.487 1.00 0.00 C ATOM 0 H THR A 45 3.781 5.279 -11.052 1.00 0.00 H new ATOM 0 HA THR A 45 1.400 3.773 -11.912 1.00 0.00 H new ATOM 0 HB THR A 45 0.164 5.733 -10.728 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.269 6.783 -10.210 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.065 4.447 -8.630 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.019 3.390 -10.060 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.497 3.520 -9.138 1.00 0.00 H new ATOM 706 N THR A 46 1.330 5.304 -13.870 1.00 0.00 N ATOM 707 CA THR A 46 1.240 6.187 -15.012 1.00 0.00 C ATOM 708 C THR A 46 -0.209 6.535 -15.311 1.00 0.00 C ATOM 709 O THR A 46 -1.027 5.668 -15.617 1.00 0.00 O ATOM 710 CB THR A 46 1.908 5.573 -16.248 1.00 0.00 C ATOM 711 OG1 THR A 46 3.270 5.243 -15.934 1.00 0.00 O ATOM 712 CG2 THR A 46 1.873 6.539 -17.422 1.00 0.00 C ATOM 0 H THR A 46 1.048 4.341 -14.053 1.00 0.00 H new ATOM 0 HA THR A 46 1.774 7.104 -14.762 1.00 0.00 H new ATOM 0 HB THR A 46 1.361 4.673 -16.530 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.770 6.064 -15.742 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.353 6.079 -18.286 1.00 0.00 H new ATOM 0 HG22 THR A 46 0.838 6.777 -17.666 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.403 7.454 -17.156 1.00 0.00 H new ATOM 720 N GLY A 47 -0.513 7.810 -15.178 1.00 0.00 N ATOM 721 CA GLY A 47 -1.838 8.304 -15.426 1.00 0.00 C ATOM 722 C GLY A 47 -2.009 9.669 -14.810 1.00 0.00 C ATOM 723 O GLY A 47 -1.191 10.563 -15.040 1.00 0.00 O ATOM 0 H GLY A 47 0.156 8.526 -14.895 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.019 8.356 -16.500 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.574 7.615 -15.012 1.00 0.00 H new ATOM 727 N GLU A 48 -3.039 9.817 -13.997 1.00 0.00 N ATOM 728 CA GLU A 48 -3.310 11.078 -13.321 1.00 0.00 C ATOM 729 C GLU A 48 -4.261 10.878 -12.141 1.00 0.00 C ATOM 730 O GLU A 48 -5.481 10.831 -12.298 1.00 0.00 O ATOM 731 CB GLU A 48 -3.842 12.112 -14.323 1.00 0.00 C ATOM 732 CG GLU A 48 -4.899 11.570 -15.267 1.00 0.00 C ATOM 733 CD GLU A 48 -5.072 12.434 -16.500 1.00 0.00 C ATOM 734 OE1 GLU A 48 -5.765 13.469 -16.419 1.00 0.00 O ATOM 735 OE2 GLU A 48 -4.510 12.083 -17.562 1.00 0.00 O ATOM 0 H GLU A 48 -3.707 9.076 -13.786 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.377 11.463 -12.910 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.259 12.955 -13.772 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.008 12.496 -14.910 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.627 10.559 -15.571 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.851 11.499 -14.740 1.00 0.00 H new ATOM 742 N MET A 49 -3.678 10.736 -10.955 1.00 0.00 N ATOM 743 CA MET A 49 -4.436 10.497 -9.733 1.00 0.00 C ATOM 744 C MET A 49 -3.892 11.371 -8.613 1.00 0.00 C ATOM 745 O MET A 49 -2.930 12.115 -8.810 1.00 0.00 O ATOM 746 CB MET A 49 -4.334 9.025 -9.312 1.00 0.00 C ATOM 747 CG MET A 49 -4.946 8.041 -10.294 1.00 0.00 C ATOM 748 SD MET A 49 -6.732 8.231 -10.450 1.00 0.00 S ATOM 749 CE MET A 49 -7.103 6.900 -11.588 1.00 0.00 C ATOM 0 H MET A 49 -2.669 10.783 -10.815 1.00 0.00 H new ATOM 0 HA MET A 49 -5.481 10.741 -9.924 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.283 8.773 -9.173 1.00 0.00 H new ATOM 0 HB3 MET A 49 -4.821 8.903 -8.345 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.484 8.176 -11.272 1.00 0.00 H new ATOM 0 HG3 MET A 49 -4.720 7.025 -9.972 1.00 0.00 H new ATOM 0 HE1 MET A 49 -8.174 6.881 -11.789 1.00 0.00 H new ATOM 0 HE2 MET A 49 -6.562 7.057 -12.521 1.00 0.00 H new ATOM 0 HE3 MET A 49 -6.799 5.950 -11.148 1.00 0.00 H new ATOM 759 N SER A 50 -4.513 11.287 -7.451 1.00 0.00 N ATOM 760 CA SER A 50 -4.006 11.951 -6.262 1.00 0.00 C ATOM 761 C SER A 50 -2.869 11.127 -5.665 1.00 0.00 C ATOM 762 O SER A 50 -2.841 9.909 -5.833 1.00 0.00 O ATOM 763 CB SER A 50 -5.128 12.109 -5.238 1.00 0.00 C ATOM 764 OG SER A 50 -6.283 12.687 -5.827 1.00 0.00 O ATOM 0 H SER A 50 -5.375 10.762 -7.304 1.00 0.00 H new ATOM 0 HA SER A 50 -3.632 12.939 -6.531 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.380 11.135 -4.817 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.786 12.734 -4.413 1.00 0.00 H new ATOM 0 HG SER A 50 -6.986 12.775 -5.150 1.00 0.00 H new ATOM 770 N PRO A 51 -1.914 11.775 -4.971 1.00 0.00 N ATOM 771 CA PRO A 51 -0.755 11.094 -4.383 1.00 0.00 C ATOM 772 C PRO A 51 -1.125 9.868 -3.549 1.00 0.00 C ATOM 773 O PRO A 51 -0.473 8.828 -3.649 1.00 0.00 O ATOM 774 CB PRO A 51 -0.085 12.166 -3.508 1.00 0.00 C ATOM 775 CG PRO A 51 -1.004 13.343 -3.509 1.00 0.00 C ATOM 776 CD PRO A 51 -1.862 13.222 -4.735 1.00 0.00 C ATOM 0 HA PRO A 51 -0.103 10.701 -5.164 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.073 11.797 -2.495 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.893 12.436 -3.905 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.617 13.356 -2.608 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -0.439 14.275 -3.523 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.856 13.639 -4.573 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -1.429 13.752 -5.583 1.00 0.00 H new ATOM 784 N LEU A 52 -2.169 9.985 -2.738 1.00 0.00 N ATOM 785 CA LEU A 52 -2.626 8.873 -1.906 1.00 0.00 C ATOM 786 C LEU A 52 -3.196 7.758 -2.783 1.00 0.00 C ATOM 787 O LEU A 52 -2.907 6.582 -2.567 1.00 0.00 O ATOM 788 CB LEU A 52 -3.675 9.377 -0.902 1.00 0.00 C ATOM 789 CG LEU A 52 -4.032 8.426 0.250 1.00 0.00 C ATOM 790 CD1 LEU A 52 -4.636 9.209 1.403 1.00 0.00 C ATOM 791 CD2 LEU A 52 -5.004 7.345 -0.202 1.00 0.00 C ATOM 0 H LEU A 52 -2.718 10.839 -2.637 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.782 8.465 -1.350 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -3.315 10.312 -0.473 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.589 9.608 -1.450 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.113 7.941 0.579 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.886 8.526 2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.917 9.947 1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -5.539 9.716 1.065 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -5.235 6.690 0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.922 7.809 -0.564 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.552 6.761 -1.004 1.00 0.00 H new ATOM 803 N ASP A 53 -3.971 8.133 -3.797 1.00 0.00 N ATOM 804 CA ASP A 53 -4.590 7.149 -4.689 1.00 0.00 C ATOM 805 C ASP A 53 -3.526 6.435 -5.511 1.00 0.00 C ATOM 806 O ASP A 53 -3.619 5.232 -5.764 1.00 0.00 O ATOM 807 CB ASP A 53 -5.612 7.805 -5.625 1.00 0.00 C ATOM 808 CG ASP A 53 -6.888 8.221 -4.920 1.00 0.00 C ATOM 809 OD1 ASP A 53 -7.723 7.341 -4.626 1.00 0.00 O ATOM 810 OD2 ASP A 53 -7.071 9.434 -4.683 1.00 0.00 O ATOM 0 H ASP A 53 -4.186 9.104 -4.023 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.113 6.424 -4.066 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -5.159 8.681 -6.090 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.858 7.110 -6.428 1.00 0.00 H new ATOM 815 N ALA A 54 -2.516 7.189 -5.922 1.00 0.00 N ATOM 816 CA ALA A 54 -1.388 6.632 -6.649 1.00 0.00 C ATOM 817 C ALA A 54 -0.602 5.688 -5.753 1.00 0.00 C ATOM 818 O ALA A 54 -0.065 4.681 -6.214 1.00 0.00 O ATOM 819 CB ALA A 54 -0.490 7.743 -7.167 1.00 0.00 C ATOM 0 H ALA A 54 -2.457 8.195 -5.762 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.766 6.069 -7.503 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.350 7.309 -7.709 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.059 8.389 -7.836 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.116 8.330 -6.328 1.00 0.00 H new ATOM 825 N ARG A 55 -0.555 6.006 -4.462 1.00 0.00 N ATOM 826 CA ARG A 55 0.123 5.167 -3.496 1.00 0.00 C ATOM 827 C ARG A 55 -0.582 3.829 -3.381 1.00 0.00 C ATOM 828 O ARG A 55 0.059 2.785 -3.417 1.00 0.00 O ATOM 829 CB ARG A 55 0.189 5.856 -2.126 1.00 0.00 C ATOM 830 CG ARG A 55 1.288 6.900 -2.020 1.00 0.00 C ATOM 831 CD ARG A 55 1.591 7.257 -0.571 1.00 0.00 C ATOM 832 NE ARG A 55 0.479 7.939 0.094 1.00 0.00 N ATOM 833 CZ ARG A 55 -0.090 7.516 1.228 1.00 0.00 C ATOM 834 NH1 ARG A 55 0.279 6.360 1.769 1.00 0.00 N ATOM 835 NH2 ARG A 55 -1.031 8.250 1.811 1.00 0.00 N ATOM 0 H ARG A 55 -0.982 6.843 -4.066 1.00 0.00 H new ATOM 0 HA ARG A 55 1.143 4.999 -3.841 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -0.771 6.330 -1.921 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.343 5.100 -1.356 1.00 0.00 H new ATOM 0 HG2 ARG A 55 2.193 6.525 -2.499 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.990 7.798 -2.561 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.833 6.347 -0.021 1.00 0.00 H new ATOM 0 HD3 ARG A 55 2.474 7.895 -0.537 1.00 0.00 H new ATOM 0 HE ARG A 55 0.115 8.790 -0.335 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.998 5.793 1.319 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.156 6.040 2.634 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.319 9.135 1.394 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.466 7.929 2.676 1.00 0.00 H new ATOM 849 N GLU A 56 -1.906 3.865 -3.281 1.00 0.00 N ATOM 850 CA GLU A 56 -2.692 2.644 -3.147 1.00 0.00 C ATOM 851 C GLU A 56 -2.583 1.776 -4.396 1.00 0.00 C ATOM 852 O GLU A 56 -2.594 0.552 -4.303 1.00 0.00 O ATOM 853 CB GLU A 56 -4.158 2.965 -2.854 1.00 0.00 C ATOM 854 CG GLU A 56 -4.359 3.765 -1.577 1.00 0.00 C ATOM 855 CD GLU A 56 -5.789 3.722 -1.084 1.00 0.00 C ATOM 856 OE1 GLU A 56 -6.696 4.166 -1.817 1.00 0.00 O ATOM 857 OE2 GLU A 56 -6.019 3.217 0.037 1.00 0.00 O ATOM 0 H GLU A 56 -2.456 4.724 -3.290 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.284 2.085 -2.305 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.574 3.523 -3.693 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.719 2.033 -2.782 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.699 3.377 -0.801 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.070 4.801 -1.752 1.00 0.00 H new ATOM 864 N ASP A 57 -2.454 2.407 -5.561 1.00 0.00 N ATOM 865 CA ASP A 57 -2.326 1.663 -6.812 1.00 0.00 C ATOM 866 C ASP A 57 -0.967 0.969 -6.869 1.00 0.00 C ATOM 867 O ASP A 57 -0.826 -0.119 -7.433 1.00 0.00 O ATOM 868 CB ASP A 57 -2.514 2.588 -8.019 1.00 0.00 C ATOM 869 CG ASP A 57 -2.842 1.824 -9.288 1.00 0.00 C ATOM 870 OD1 ASP A 57 -4.019 1.445 -9.468 1.00 0.00 O ATOM 871 OD2 ASP A 57 -1.933 1.604 -10.116 1.00 0.00 O ATOM 0 H ASP A 57 -2.435 3.422 -5.665 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.108 0.905 -6.848 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.314 3.298 -7.808 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.605 3.169 -8.173 1.00 0.00 H new ATOM 876 N LEU A 58 0.020 1.605 -6.253 1.00 0.00 N ATOM 877 CA LEU A 58 1.339 1.014 -6.089 1.00 0.00 C ATOM 878 C LEU A 58 1.294 -0.098 -5.046 1.00 0.00 C ATOM 879 O LEU A 58 1.887 -1.159 -5.233 1.00 0.00 O ATOM 880 CB LEU A 58 2.342 2.088 -5.664 1.00 0.00 C ATOM 881 CG LEU A 58 2.702 3.104 -6.745 1.00 0.00 C ATOM 882 CD1 LEU A 58 3.597 4.187 -6.176 1.00 0.00 C ATOM 883 CD2 LEU A 58 3.385 2.413 -7.910 1.00 0.00 C ATOM 0 H LEU A 58 -0.071 2.540 -5.855 1.00 0.00 H new ATOM 0 HA LEU A 58 1.654 0.588 -7.042 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.936 2.623 -4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.256 1.597 -5.330 1.00 0.00 H new ATOM 0 HG LEU A 58 1.784 3.568 -7.105 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.845 4.903 -6.959 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.078 4.700 -5.366 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.513 3.738 -5.793 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.636 3.149 -8.673 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.296 1.927 -7.561 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.714 1.666 -8.334 1.00 0.00 H new ATOM 895 N ILE A 59 0.574 0.154 -3.958 1.00 0.00 N ATOM 896 CA ILE A 59 0.394 -0.825 -2.890 1.00 0.00 C ATOM 897 C ILE A 59 -0.278 -2.081 -3.440 1.00 0.00 C ATOM 898 O ILE A 59 0.110 -3.202 -3.109 1.00 0.00 O ATOM 899 CB ILE A 59 -0.436 -0.225 -1.728 1.00 0.00 C ATOM 900 CG1 ILE A 59 0.343 0.919 -1.068 1.00 0.00 C ATOM 901 CG2 ILE A 59 -0.785 -1.293 -0.696 1.00 0.00 C ATOM 902 CD1 ILE A 59 -0.531 1.918 -0.333 1.00 0.00 C ATOM 0 H ILE A 59 0.099 1.041 -3.791 1.00 0.00 H new ATOM 0 HA ILE A 59 1.374 -1.096 -2.497 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.368 0.165 -2.136 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.063 0.497 -0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.914 1.445 -1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -1.368 -0.845 0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.369 -2.081 -1.171 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.132 -1.717 -0.287 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.095 2.695 0.106 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.234 2.370 -1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.082 1.407 0.457 1.00 0.00 H new ATOM 914 N LYS A 60 -1.271 -1.877 -4.299 1.00 0.00 N ATOM 915 CA LYS A 60 -1.924 -2.974 -5.005 1.00 0.00 C ATOM 916 C LYS A 60 -0.907 -3.796 -5.780 1.00 0.00 C ATOM 917 O LYS A 60 -0.877 -5.020 -5.686 1.00 0.00 O ATOM 918 CB LYS A 60 -2.960 -2.433 -5.991 1.00 0.00 C ATOM 919 CG LYS A 60 -4.208 -1.836 -5.359 1.00 0.00 C ATOM 920 CD LYS A 60 -4.996 -1.020 -6.380 1.00 0.00 C ATOM 921 CE LYS A 60 -5.190 -1.784 -7.684 1.00 0.00 C ATOM 922 NZ LYS A 60 -5.565 -0.890 -8.815 1.00 0.00 N ATOM 0 H LYS A 60 -1.644 -0.955 -4.524 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.412 -3.602 -4.260 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.486 -1.671 -6.609 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.261 -3.242 -6.657 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -4.836 -2.633 -4.961 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.927 -1.201 -4.518 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.969 -0.758 -5.964 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.473 -0.085 -6.580 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -4.270 -2.313 -7.932 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -5.965 -2.538 -7.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -5.553 -1.431 -9.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.519 -0.508 -8.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.885 -0.106 -8.878 1.00 0.00 H new ATOM 936 N LYS A 61 -0.070 -3.105 -6.538 1.00 0.00 N ATOM 937 CA LYS A 61 0.907 -3.748 -7.406 1.00 0.00 C ATOM 938 C LYS A 61 2.009 -4.435 -6.624 1.00 0.00 C ATOM 939 O LYS A 61 2.481 -5.509 -7.001 1.00 0.00 O ATOM 940 CB LYS A 61 1.489 -2.720 -8.352 1.00 0.00 C ATOM 941 CG LYS A 61 0.713 -2.660 -9.640 1.00 0.00 C ATOM 942 CD LYS A 61 1.341 -1.714 -10.643 1.00 0.00 C ATOM 943 CE LYS A 61 2.579 -2.328 -11.269 1.00 0.00 C ATOM 944 NZ LYS A 61 2.239 -3.475 -12.156 1.00 0.00 N ATOM 0 H LYS A 61 -0.048 -2.086 -6.570 1.00 0.00 H new ATOM 0 HA LYS A 61 0.394 -4.525 -7.973 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.483 -1.740 -7.875 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.530 -2.965 -8.563 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.653 -3.659 -10.073 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.308 -2.341 -9.432 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.618 -1.471 -11.422 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.604 -0.778 -10.150 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.110 -1.569 -11.844 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.255 -2.664 -10.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.026 -3.651 -12.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.074 -4.324 -11.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.379 -3.252 -12.697 1.00 0.00 H new ATOM 958 N ALA A 62 2.421 -3.795 -5.558 1.00 0.00 N ATOM 959 CA ALA A 62 3.376 -4.378 -4.623 1.00 0.00 C ATOM 960 C ALA A 62 2.821 -5.676 -4.043 1.00 0.00 C ATOM 961 O ALA A 62 3.538 -6.669 -3.906 1.00 0.00 O ATOM 962 CB ALA A 62 3.697 -3.392 -3.511 1.00 0.00 C ATOM 0 H ALA A 62 2.110 -2.857 -5.306 1.00 0.00 H new ATOM 0 HA ALA A 62 4.298 -4.604 -5.160 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.411 -3.842 -2.821 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.127 -2.487 -3.940 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.783 -3.139 -2.974 1.00 0.00 H new ATOM 968 N ASP A 63 1.531 -5.658 -3.716 1.00 0.00 N ATOM 969 CA ASP A 63 0.837 -6.853 -3.239 1.00 0.00 C ATOM 970 C ASP A 63 0.738 -7.882 -4.358 1.00 0.00 C ATOM 971 O ASP A 63 0.892 -9.081 -4.133 1.00 0.00 O ATOM 972 CB ASP A 63 -0.568 -6.497 -2.738 1.00 0.00 C ATOM 973 CG ASP A 63 -1.346 -7.711 -2.262 1.00 0.00 C ATOM 974 OD1 ASP A 63 -0.975 -8.295 -1.222 1.00 0.00 O ATOM 975 OD2 ASP A 63 -2.336 -8.084 -2.929 1.00 0.00 O ATOM 0 H ASP A 63 0.943 -4.826 -3.773 1.00 0.00 H new ATOM 0 HA ASP A 63 1.408 -7.275 -2.412 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.487 -5.780 -1.921 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -1.122 -6.007 -3.539 1.00 0.00 H new ATOM 980 N GLU A 64 0.497 -7.390 -5.569 1.00 0.00 N ATOM 981 CA GLU A 64 0.391 -8.236 -6.751 1.00 0.00 C ATOM 982 C GLU A 64 1.693 -8.976 -7.034 1.00 0.00 C ATOM 983 O GLU A 64 1.677 -10.082 -7.575 1.00 0.00 O ATOM 984 CB GLU A 64 -0.004 -7.405 -7.976 1.00 0.00 C ATOM 985 CG GLU A 64 -1.475 -7.085 -8.049 1.00 0.00 C ATOM 986 CD GLU A 64 -1.859 -6.488 -9.381 1.00 0.00 C ATOM 987 OE1 GLU A 64 -1.592 -5.290 -9.596 1.00 0.00 O ATOM 988 OE2 GLU A 64 -2.419 -7.220 -10.220 1.00 0.00 O ATOM 0 H GLU A 64 0.370 -6.396 -5.758 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.385 -8.975 -6.549 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.561 -6.473 -7.968 1.00 0.00 H new ATOM 0 HB3 GLU A 64 0.285 -7.945 -8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.052 -7.994 -7.879 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -1.734 -6.389 -7.251 1.00 0.00 H new ATOM 995 N LYS A 65 2.814 -8.368 -6.675 1.00 0.00 N ATOM 996 CA LYS A 65 4.112 -8.969 -6.942 1.00 0.00 C ATOM 997 C LYS A 65 4.656 -9.662 -5.693 1.00 0.00 C ATOM 998 O LYS A 65 5.696 -10.323 -5.728 1.00 0.00 O ATOM 999 CB LYS A 65 5.088 -7.905 -7.444 1.00 0.00 C ATOM 1000 CG LYS A 65 6.230 -8.478 -8.260 1.00 0.00 C ATOM 1001 CD LYS A 65 7.054 -7.390 -8.923 1.00 0.00 C ATOM 1002 CE LYS A 65 8.031 -7.982 -9.925 1.00 0.00 C ATOM 1003 NZ LYS A 65 7.348 -8.903 -10.871 1.00 0.00 N ATOM 0 H LYS A 65 2.851 -7.465 -6.201 1.00 0.00 H new ATOM 0 HA LYS A 65 3.994 -9.726 -7.718 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.545 -7.180 -8.051 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.496 -7.364 -6.590 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.872 -9.077 -7.615 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.831 -9.147 -9.023 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.393 -6.684 -9.427 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.600 -6.829 -8.165 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.514 -7.179 -10.482 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.817 -8.520 -9.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.925 -9.010 -11.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.222 -9.832 -10.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.418 -8.513 -11.125 1.00 0.00 H new ATOM 1017 N GLY A 66 3.942 -9.502 -4.589 1.00 0.00 N ATOM 1018 CA GLY A 66 4.299 -10.183 -3.364 1.00 0.00 C ATOM 1019 C GLY A 66 5.530 -9.604 -2.700 1.00 0.00 C ATOM 1020 O GLY A 66 6.401 -10.341 -2.244 1.00 0.00 O ATOM 0 H GLY A 66 3.116 -8.908 -4.521 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.461 -10.132 -2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.471 -11.238 -3.579 1.00 0.00 H new ATOM 1024 N ALA A 67 5.612 -8.287 -2.659 1.00 0.00 N ATOM 1025 CA ALA A 67 6.701 -7.622 -1.956 1.00 0.00 C ATOM 1026 C ALA A 67 6.467 -7.705 -0.454 1.00 0.00 C ATOM 1027 O ALA A 67 5.324 -7.714 0.004 1.00 0.00 O ATOM 1028 CB ALA A 67 6.812 -6.174 -2.401 1.00 0.00 C ATOM 0 H ALA A 67 4.943 -7.657 -3.101 1.00 0.00 H new ATOM 0 HA ALA A 67 7.639 -8.123 -2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.630 -5.691 -1.867 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.006 -6.137 -3.473 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.879 -5.654 -2.183 1.00 0.00 H new ATOM 1034 N ASP A 68 7.549 -7.770 0.302 1.00 0.00 N ATOM 1035 CA ASP A 68 7.464 -7.925 1.749 1.00 0.00 C ATOM 1036 C ASP A 68 7.737 -6.592 2.434 1.00 0.00 C ATOM 1037 O ASP A 68 7.163 -6.275 3.471 1.00 0.00 O ATOM 1038 CB ASP A 68 8.463 -8.984 2.210 1.00 0.00 C ATOM 1039 CG ASP A 68 8.251 -9.411 3.649 1.00 0.00 C ATOM 1040 OD1 ASP A 68 7.223 -10.055 3.933 1.00 0.00 O ATOM 1041 OD2 ASP A 68 9.135 -9.157 4.495 1.00 0.00 O ATOM 0 H ASP A 68 8.501 -7.718 -0.061 1.00 0.00 H new ATOM 0 HA ASP A 68 6.459 -8.249 2.021 1.00 0.00 H new ATOM 0 HB2 ASP A 68 8.384 -9.857 1.562 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.475 -8.595 2.098 1.00 0.00 H new ATOM 1046 N VAL A 69 8.617 -5.814 1.835 1.00 0.00 N ATOM 1047 CA VAL A 69 8.891 -4.461 2.304 1.00 0.00 C ATOM 1048 C VAL A 69 8.695 -3.481 1.160 1.00 0.00 C ATOM 1049 O VAL A 69 9.070 -3.772 0.025 1.00 0.00 O ATOM 1050 CB VAL A 69 10.322 -4.319 2.877 1.00 0.00 C ATOM 1051 CG1 VAL A 69 10.670 -2.860 3.151 1.00 0.00 C ATOM 1052 CG2 VAL A 69 10.468 -5.134 4.150 1.00 0.00 C ATOM 0 H VAL A 69 9.160 -6.094 1.018 1.00 0.00 H new ATOM 0 HA VAL A 69 8.194 -4.242 3.113 1.00 0.00 H new ATOM 0 HB VAL A 69 11.016 -4.699 2.128 1.00 0.00 H new ATOM 0 HG11 VAL A 69 11.681 -2.796 3.553 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.612 -2.292 2.223 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.966 -2.448 3.874 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.480 -5.023 4.539 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.753 -4.780 4.893 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.276 -6.185 3.933 1.00 0.00 H new ATOM 1062 N VAL A 70 8.096 -2.335 1.441 1.00 0.00 N ATOM 1063 CA VAL A 70 7.828 -1.357 0.403 1.00 0.00 C ATOM 1064 C VAL A 70 8.325 0.025 0.817 1.00 0.00 C ATOM 1065 O VAL A 70 8.280 0.387 1.994 1.00 0.00 O ATOM 1066 CB VAL A 70 6.318 -1.288 0.066 1.00 0.00 C ATOM 1067 CG1 VAL A 70 5.849 -2.584 -0.575 1.00 0.00 C ATOM 1068 CG2 VAL A 70 5.492 -0.995 1.309 1.00 0.00 C ATOM 0 H VAL A 70 7.788 -2.061 2.374 1.00 0.00 H new ATOM 0 HA VAL A 70 8.367 -1.677 -0.489 1.00 0.00 H new ATOM 0 HB VAL A 70 6.175 -0.473 -0.643 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.786 -2.513 -0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.407 -2.757 -1.495 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.018 -3.412 0.113 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.436 -0.952 1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.649 -1.784 2.044 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.798 -0.038 1.732 1.00 0.00 H new ATOM 1078 N VAL A 71 8.825 0.778 -0.152 1.00 0.00 N ATOM 1079 CA VAL A 71 9.212 2.164 0.064 1.00 0.00 C ATOM 1080 C VAL A 71 8.453 3.052 -0.909 1.00 0.00 C ATOM 1081 O VAL A 71 8.660 2.979 -2.121 1.00 0.00 O ATOM 1082 CB VAL A 71 10.731 2.384 -0.115 1.00 0.00 C ATOM 1083 CG1 VAL A 71 11.094 3.844 0.104 1.00 0.00 C ATOM 1084 CG2 VAL A 71 11.516 1.494 0.835 1.00 0.00 C ATOM 0 H VAL A 71 8.973 0.447 -1.105 1.00 0.00 H new ATOM 0 HA VAL A 71 8.964 2.421 1.094 1.00 0.00 H new ATOM 0 HB VAL A 71 10.994 2.115 -1.138 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.168 3.975 -0.027 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.562 4.463 -0.618 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.813 4.141 1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.583 1.663 0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.244 1.731 1.864 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.284 0.449 0.630 1.00 0.00 H new ATOM 1094 N LEU A 72 7.557 3.867 -0.380 1.00 0.00 N ATOM 1095 CA LEU A 72 6.727 4.709 -1.217 1.00 0.00 C ATOM 1096 C LEU A 72 7.427 6.025 -1.526 1.00 0.00 C ATOM 1097 O LEU A 72 7.275 7.017 -0.811 1.00 0.00 O ATOM 1098 CB LEU A 72 5.368 4.954 -0.556 1.00 0.00 C ATOM 1099 CG LEU A 72 4.520 3.698 -0.341 1.00 0.00 C ATOM 1100 CD1 LEU A 72 3.213 4.042 0.357 1.00 0.00 C ATOM 1101 CD2 LEU A 72 4.250 2.997 -1.667 1.00 0.00 C ATOM 0 H LEU A 72 7.388 3.962 0.621 1.00 0.00 H new ATOM 0 HA LEU A 72 6.557 4.190 -2.161 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.531 5.434 0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.803 5.655 -1.170 1.00 0.00 H new ATOM 0 HG LEU A 72 5.080 3.017 0.300 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.627 3.134 0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.426 4.492 1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.649 4.746 -0.254 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.646 2.107 -1.492 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.715 3.673 -2.334 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.196 2.709 -2.125 1.00 0.00 H new ATOM 1113 N THR A 73 8.223 6.010 -2.584 1.00 0.00 N ATOM 1114 CA THR A 73 8.909 7.204 -3.052 1.00 0.00 C ATOM 1115 C THR A 73 7.966 8.098 -3.849 1.00 0.00 C ATOM 1116 O THR A 73 8.293 9.236 -4.178 1.00 0.00 O ATOM 1117 CB THR A 73 10.106 6.826 -3.930 1.00 0.00 C ATOM 1118 OG1 THR A 73 9.799 5.646 -4.687 1.00 0.00 O ATOM 1119 CG2 THR A 73 11.346 6.592 -3.084 1.00 0.00 C ATOM 0 H THR A 73 8.411 5.175 -3.139 1.00 0.00 H new ATOM 0 HA THR A 73 9.259 7.749 -2.175 1.00 0.00 H new ATOM 0 HB THR A 73 10.309 7.652 -4.612 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.864 5.678 -4.977 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.182 6.325 -3.730 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.588 7.501 -2.534 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.158 5.781 -2.380 1.00 0.00 H new ATOM 1127 N SER A 74 6.809 7.539 -4.168 1.00 0.00 N ATOM 1128 CA SER A 74 5.754 8.225 -4.899 1.00 0.00 C ATOM 1129 C SER A 74 5.412 9.575 -4.280 1.00 0.00 C ATOM 1130 O SER A 74 4.688 9.650 -3.282 1.00 0.00 O ATOM 1131 CB SER A 74 4.513 7.334 -4.927 1.00 0.00 C ATOM 1132 OG SER A 74 4.235 6.827 -3.633 1.00 0.00 O ATOM 0 H SER A 74 6.572 6.578 -3.922 1.00 0.00 H new ATOM 0 HA SER A 74 6.109 8.417 -5.912 1.00 0.00 H new ATOM 0 HB2 SER A 74 3.658 7.903 -5.292 1.00 0.00 H new ATOM 0 HB3 SER A 74 4.667 6.508 -5.622 1.00 0.00 H new ATOM 0 HG SER A 74 4.351 7.540 -2.971 1.00 0.00 H new ATOM 1138 N GLY A 75 5.943 10.633 -4.869 1.00 0.00 N ATOM 1139 CA GLY A 75 5.670 11.959 -4.375 1.00 0.00 C ATOM 1140 C GLY A 75 6.760 12.946 -4.731 1.00 0.00 C ATOM 1141 O GLY A 75 7.512 13.387 -3.864 1.00 0.00 O ATOM 0 H GLY A 75 6.559 10.595 -5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.721 12.307 -4.784 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.556 11.923 -3.292 1.00 0.00 H new ATOM 1145 N GLN A 76 6.862 13.280 -6.012 1.00 0.00 N ATOM 1146 CA GLN A 76 7.763 14.339 -6.447 1.00 0.00 C ATOM 1147 C GLN A 76 7.328 15.645 -5.796 1.00 0.00 C ATOM 1148 O GLN A 76 8.149 16.459 -5.365 1.00 0.00 O ATOM 1149 CB GLN A 76 7.756 14.484 -7.975 1.00 0.00 C ATOM 1150 CG GLN A 76 8.356 13.301 -8.729 1.00 0.00 C ATOM 1151 CD GLN A 76 7.532 12.030 -8.626 1.00 0.00 C ATOM 1152 OE1 GLN A 76 6.312 12.074 -8.458 1.00 0.00 O ATOM 1153 NE2 GLN A 76 8.187 10.888 -8.738 1.00 0.00 N ATOM 0 H GLN A 76 6.335 12.835 -6.764 1.00 0.00 H new ATOM 0 HA GLN A 76 8.780 14.087 -6.146 1.00 0.00 H new ATOM 0 HB2 GLN A 76 6.728 14.627 -8.308 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.306 15.386 -8.244 1.00 0.00 H new ATOM 0 HG2 GLN A 76 8.465 13.569 -9.780 1.00 0.00 H new ATOM 0 HG3 GLN A 76 9.357 13.107 -8.344 1.00 0.00 H new ATOM 0 HE21 GLN A 76 9.198 10.891 -8.876 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.682 10.003 -8.686 1.00 0.00 H new ATOM 1162 N THR A 77 6.017 15.827 -5.743 1.00 0.00 N ATOM 1163 CA THR A 77 5.397 16.894 -4.979 1.00 0.00 C ATOM 1164 C THR A 77 4.004 16.436 -4.533 1.00 0.00 C ATOM 1165 O THR A 77 3.876 15.777 -3.504 1.00 0.00 O ATOM 1166 CB THR A 77 5.313 18.216 -5.777 1.00 0.00 C ATOM 1167 OG1 THR A 77 6.597 18.536 -6.326 1.00 0.00 O ATOM 1168 CG2 THR A 77 4.849 19.364 -4.891 1.00 0.00 C ATOM 0 H THR A 77 5.350 15.232 -6.234 1.00 0.00 H new ATOM 0 HA THR A 77 6.018 17.102 -4.108 1.00 0.00 H new ATOM 0 HB THR A 77 4.588 18.078 -6.579 1.00 0.00 H new ATOM 0 HG1 THR A 77 6.688 19.509 -6.399 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.799 20.280 -5.479 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.862 19.137 -4.489 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.553 19.498 -4.070 1.00 0.00 H new ATOM 1176 N GLU A 78 2.976 16.737 -5.334 1.00 0.00 N ATOM 1177 CA GLU A 78 1.620 16.244 -5.088 1.00 0.00 C ATOM 1178 C GLU A 78 0.845 16.162 -6.399 1.00 0.00 C ATOM 1179 O GLU A 78 0.350 15.105 -6.770 1.00 0.00 O ATOM 1180 CB GLU A 78 0.862 17.130 -4.092 1.00 0.00 C ATOM 1181 CG GLU A 78 1.258 16.896 -2.643 1.00 0.00 C ATOM 1182 CD GLU A 78 0.343 17.587 -1.658 1.00 0.00 C ATOM 1183 OE1 GLU A 78 0.628 18.747 -1.289 1.00 0.00 O ATOM 1184 OE2 GLU A 78 -0.647 16.961 -1.222 1.00 0.00 O ATOM 0 H GLU A 78 3.061 17.324 -6.164 1.00 0.00 H new ATOM 0 HA GLU A 78 1.708 15.249 -4.651 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.037 18.176 -4.343 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.208 16.951 -4.201 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.257 15.825 -2.441 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.278 17.248 -2.490 1.00 0.00 H new ATOM 1191 N ASN A 79 0.751 17.285 -7.100 1.00 0.00 N ATOM 1192 CA ASN A 79 0.061 17.332 -8.381 1.00 0.00 C ATOM 1193 C ASN A 79 0.949 16.800 -9.501 1.00 0.00 C ATOM 1194 O ASN A 79 0.547 15.938 -10.282 1.00 0.00 O ATOM 1195 CB ASN A 79 -0.356 18.771 -8.699 1.00 0.00 C ATOM 1196 CG ASN A 79 -1.429 19.305 -7.766 1.00 0.00 C ATOM 1197 OD1 ASN A 79 -1.516 18.912 -6.604 1.00 0.00 O ATOM 1198 ND2 ASN A 79 -2.246 20.216 -8.267 1.00 0.00 N ATOM 0 H ASN A 79 1.145 18.177 -6.801 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.825 16.701 -8.311 1.00 0.00 H new ATOM 0 HB2 ASN A 79 0.520 19.417 -8.642 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.720 18.818 -9.725 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.980 20.618 -7.684 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.142 20.517 -9.236 1.00 0.00 H new ATOM 1205 N LYS A 80 2.170 17.311 -9.557 1.00 0.00 N ATOM 1206 CA LYS A 80 3.128 16.962 -10.607 1.00 0.00 C ATOM 1207 C LYS A 80 3.830 15.636 -10.311 1.00 0.00 C ATOM 1208 O LYS A 80 5.045 15.514 -10.470 1.00 0.00 O ATOM 1209 CB LYS A 80 4.159 18.084 -10.721 1.00 0.00 C ATOM 1210 CG LYS A 80 4.852 18.399 -9.404 1.00 0.00 C ATOM 1211 CD LYS A 80 5.798 19.579 -9.528 1.00 0.00 C ATOM 1212 CE LYS A 80 6.942 19.284 -10.487 1.00 0.00 C ATOM 1213 NZ LYS A 80 7.865 20.440 -10.613 1.00 0.00 N ATOM 0 H LYS A 80 2.529 17.981 -8.877 1.00 0.00 H new ATOM 0 HA LYS A 80 2.589 16.843 -11.547 1.00 0.00 H new ATOM 0 HB2 LYS A 80 4.909 17.805 -11.461 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.667 18.984 -11.089 1.00 0.00 H new ATOM 0 HG2 LYS A 80 4.103 18.614 -8.642 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.407 17.523 -9.068 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.247 20.452 -9.877 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.201 19.827 -8.546 1.00 0.00 H new ATOM 0 HE2 LYS A 80 7.495 18.413 -10.136 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.539 19.032 -11.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.631 20.202 -11.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.342 21.264 -10.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 8.269 20.665 -9.681 1.00 0.00 H new ATOM 1227 N ILE A 81 3.067 14.638 -9.901 1.00 0.00 N ATOM 1228 CA ILE A 81 3.647 13.366 -9.504 1.00 0.00 C ATOM 1229 C ILE A 81 3.589 12.311 -10.603 1.00 0.00 C ATOM 1230 O ILE A 81 2.694 12.301 -11.449 1.00 0.00 O ATOM 1231 CB ILE A 81 2.952 12.780 -8.258 1.00 0.00 C ATOM 1232 CG1 ILE A 81 1.446 12.666 -8.505 1.00 0.00 C ATOM 1233 CG2 ILE A 81 3.247 13.630 -7.034 1.00 0.00 C ATOM 1234 CD1 ILE A 81 0.703 11.919 -7.421 1.00 0.00 C ATOM 0 H ILE A 81 2.050 14.682 -9.834 1.00 0.00 H new ATOM 0 HA ILE A 81 4.690 13.597 -9.285 1.00 0.00 H new ATOM 0 HB ILE A 81 3.344 11.781 -8.069 1.00 0.00 H new ATOM 0 HG12 ILE A 81 1.026 13.668 -8.596 1.00 0.00 H new ATOM 0 HG13 ILE A 81 1.281 12.163 -9.458 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.748 13.201 -6.165 1.00 0.00 H new ATOM 0 HG22 ILE A 81 4.323 13.656 -6.860 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.882 14.644 -7.198 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.358 11.880 -7.668 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.095 10.905 -7.344 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.836 12.433 -6.469 1.00 0.00 H new ATOM 1246 N HIS A 82 4.577 11.440 -10.574 1.00 0.00 N ATOM 1247 CA HIS A 82 4.545 10.181 -11.293 1.00 0.00 C ATOM 1248 C HIS A 82 5.001 9.118 -10.307 1.00 0.00 C ATOM 1249 O HIS A 82 6.189 8.808 -10.215 1.00 0.00 O ATOM 1250 CB HIS A 82 5.447 10.217 -12.536 1.00 0.00 C ATOM 1251 CG HIS A 82 5.339 8.999 -13.408 1.00 0.00 C ATOM 1252 ND1 HIS A 82 6.435 8.300 -13.861 1.00 0.00 N ATOM 1253 CD2 HIS A 82 4.256 8.367 -13.923 1.00 0.00 C ATOM 1254 CE1 HIS A 82 6.034 7.291 -14.614 1.00 0.00 C ATOM 1255 NE2 HIS A 82 4.717 7.308 -14.669 1.00 0.00 N ATOM 0 H HIS A 82 5.436 11.588 -10.044 1.00 0.00 H new ATOM 0 HA HIS A 82 3.542 9.969 -11.663 1.00 0.00 H new ATOM 0 HB2 HIS A 82 5.197 11.098 -13.128 1.00 0.00 H new ATOM 0 HB3 HIS A 82 6.483 10.331 -12.217 1.00 0.00 H new ATOM 0 HD1 HIS A 82 7.407 8.526 -13.648 1.00 0.00 H new ATOM 0 HD2 HIS A 82 3.223 8.644 -13.775 1.00 0.00 H new ATOM 0 HE1 HIS A 82 6.677 6.573 -15.102 1.00 0.00 H new ATOM 1264 N GLY A 83 4.048 8.627 -9.524 1.00 0.00 N ATOM 1265 CA GLY A 83 4.365 7.833 -8.352 1.00 0.00 C ATOM 1266 C GLY A 83 5.145 6.578 -8.651 1.00 0.00 C ATOM 1267 O GLY A 83 4.815 5.831 -9.567 1.00 0.00 O ATOM 0 H GLY A 83 3.050 8.767 -9.683 1.00 0.00 H new ATOM 0 HA2 GLY A 83 4.937 8.446 -7.655 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.437 7.560 -7.849 1.00 0.00 H new ATOM 1271 N THR A 84 6.169 6.354 -7.851 1.00 0.00 N ATOM 1272 CA THR A 84 7.017 5.183 -7.969 1.00 0.00 C ATOM 1273 C THR A 84 7.232 4.559 -6.597 1.00 0.00 C ATOM 1274 O THR A 84 7.273 5.264 -5.589 1.00 0.00 O ATOM 1275 CB THR A 84 8.385 5.552 -8.572 1.00 0.00 C ATOM 1276 OG1 THR A 84 8.921 6.695 -7.897 1.00 0.00 O ATOM 1277 CG2 THR A 84 8.265 5.848 -10.055 1.00 0.00 C ATOM 0 H THR A 84 6.438 6.984 -7.095 1.00 0.00 H new ATOM 0 HA THR A 84 6.520 4.472 -8.629 1.00 0.00 H new ATOM 0 HB THR A 84 9.054 4.701 -8.443 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.792 6.924 -8.283 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.246 6.106 -10.455 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.882 4.968 -10.572 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.581 6.683 -10.205 1.00 0.00 H new ATOM 1285 N ALA A 85 7.360 3.248 -6.543 1.00 0.00 N ATOM 1286 CA ALA A 85 7.601 2.573 -5.280 1.00 0.00 C ATOM 1287 C ALA A 85 8.752 1.592 -5.416 1.00 0.00 C ATOM 1288 O ALA A 85 8.827 0.840 -6.390 1.00 0.00 O ATOM 1289 CB ALA A 85 6.342 1.867 -4.800 1.00 0.00 C ATOM 0 H ALA A 85 7.302 2.631 -7.353 1.00 0.00 H new ATOM 0 HA ALA A 85 7.874 3.320 -4.535 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.544 1.368 -3.852 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.545 2.598 -4.663 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.034 1.129 -5.541 1.00 0.00 H new ATOM 1295 N ASP A 86 9.646 1.612 -4.441 1.00 0.00 N ATOM 1296 CA ASP A 86 10.796 0.722 -4.438 1.00 0.00 C ATOM 1297 C ASP A 86 10.534 -0.389 -3.449 1.00 0.00 C ATOM 1298 O ASP A 86 10.430 -0.152 -2.246 1.00 0.00 O ATOM 1299 CB ASP A 86 12.059 1.488 -4.056 1.00 0.00 C ATOM 1300 CG ASP A 86 13.333 0.762 -4.431 1.00 0.00 C ATOM 1301 OD1 ASP A 86 13.411 -0.466 -4.265 1.00 0.00 O ATOM 1302 OD2 ASP A 86 14.267 1.428 -4.933 1.00 0.00 O ATOM 0 H ASP A 86 9.597 2.238 -3.637 1.00 0.00 H new ATOM 0 HA ASP A 86 10.946 0.305 -5.434 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.047 2.463 -4.544 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.055 1.670 -2.981 1.00 0.00 H new ATOM 1307 N ILE A 87 10.378 -1.589 -3.957 1.00 0.00 N ATOM 1308 CA ILE A 87 9.924 -2.689 -3.126 1.00 0.00 C ATOM 1309 C ILE A 87 10.966 -3.788 -3.000 1.00 0.00 C ATOM 1310 O ILE A 87 11.784 -4.008 -3.896 1.00 0.00 O ATOM 1311 CB ILE A 87 8.601 -3.282 -3.657 1.00 0.00 C ATOM 1312 CG1 ILE A 87 8.769 -3.799 -5.088 1.00 0.00 C ATOM 1313 CG2 ILE A 87 7.500 -2.233 -3.603 1.00 0.00 C ATOM 1314 CD1 ILE A 87 7.500 -4.377 -5.675 1.00 0.00 C ATOM 0 H ILE A 87 10.556 -1.831 -4.932 1.00 0.00 H new ATOM 0 HA ILE A 87 9.755 -2.273 -2.133 1.00 0.00 H new ATOM 0 HB ILE A 87 8.323 -4.123 -3.022 1.00 0.00 H new ATOM 0 HG12 ILE A 87 9.114 -2.983 -5.722 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.546 -4.563 -5.101 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.571 -2.661 -3.980 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.358 -1.907 -2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.781 -1.378 -4.218 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.694 -4.723 -6.690 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.165 -5.215 -5.063 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.726 -3.610 -5.695 1.00 0.00 H new ATOM 1326 N TYR A 88 10.898 -4.493 -1.884 1.00 0.00 N ATOM 1327 CA TYR A 88 11.795 -5.592 -1.600 1.00 0.00 C ATOM 1328 C TYR A 88 11.009 -6.808 -1.152 1.00 0.00 C ATOM 1329 O TYR A 88 9.927 -6.706 -0.578 1.00 0.00 O ATOM 1330 CB TYR A 88 12.837 -5.200 -0.550 1.00 0.00 C ATOM 1331 CG TYR A 88 14.130 -4.698 -1.157 1.00 0.00 C ATOM 1332 CD1 TYR A 88 14.187 -3.479 -1.817 1.00 0.00 C ATOM 1333 CD2 TYR A 88 15.296 -5.449 -1.069 1.00 0.00 C ATOM 1334 CE1 TYR A 88 15.363 -3.025 -2.382 1.00 0.00 C ATOM 1335 CE2 TYR A 88 16.477 -5.001 -1.629 1.00 0.00 C ATOM 1336 CZ TYR A 88 16.506 -3.787 -2.280 1.00 0.00 C ATOM 1337 OH TYR A 88 17.680 -3.340 -2.843 1.00 0.00 O ATOM 0 H TYR A 88 10.215 -4.316 -1.148 1.00 0.00 H new ATOM 0 HA TYR A 88 12.329 -5.841 -2.517 1.00 0.00 H new ATOM 0 HB2 TYR A 88 12.421 -4.426 0.095 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.050 -6.062 0.082 1.00 0.00 H new ATOM 0 HD1 TYR A 88 13.295 -2.874 -1.890 1.00 0.00 H new ATOM 0 HD2 TYR A 88 15.279 -6.398 -0.554 1.00 0.00 H new ATOM 0 HE1 TYR A 88 15.386 -2.078 -2.901 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.373 -5.600 -1.557 1.00 0.00 H new ATOM 0 HH TYR A 88 18.391 -3.995 -2.680 1.00 0.00 H new ATOM 1347 N LYS A 89 11.578 -7.952 -1.424 1.00 0.00 N ATOM 1348 CA LYS A 89 10.932 -9.229 -1.260 1.00 0.00 C ATOM 1349 C LYS A 89 11.756 -10.061 -0.283 1.00 0.00 C ATOM 1350 O LYS A 89 12.976 -9.915 -0.241 1.00 0.00 O ATOM 1351 CB LYS A 89 10.914 -9.884 -2.641 1.00 0.00 C ATOM 1352 CG LYS A 89 9.662 -10.645 -3.014 1.00 0.00 C ATOM 1353 CD LYS A 89 9.495 -11.922 -2.206 1.00 0.00 C ATOM 1354 CE LYS A 89 8.761 -12.987 -3.005 1.00 0.00 C ATOM 1355 NZ LYS A 89 7.410 -12.544 -3.432 1.00 0.00 N ATOM 0 H LYS A 89 12.532 -8.024 -1.776 1.00 0.00 H new ATOM 0 HA LYS A 89 9.919 -9.138 -0.869 1.00 0.00 H new ATOM 0 HB2 LYS A 89 11.076 -9.107 -3.388 1.00 0.00 H new ATOM 0 HB3 LYS A 89 11.760 -10.568 -2.704 1.00 0.00 H new ATOM 0 HG2 LYS A 89 8.793 -10.006 -2.861 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.693 -10.892 -4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 89 10.474 -12.297 -1.908 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.944 -11.707 -1.290 1.00 0.00 H new ATOM 0 HE2 LYS A 89 9.350 -13.248 -3.885 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.670 -13.891 -2.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.779 -13.368 -3.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.029 -11.872 -2.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 7.474 -12.081 -4.361 1.00 0.00 H new ATOM 1369 N LYS A 90 11.115 -10.912 0.505 1.00 0.00 N ATOM 1370 CA LYS A 90 11.849 -11.765 1.437 1.00 0.00 C ATOM 1371 C LYS A 90 12.737 -12.749 0.694 1.00 0.00 C ATOM 1372 O LYS A 90 12.422 -13.184 -0.415 1.00 0.00 O ATOM 1373 CB LYS A 90 10.896 -12.548 2.346 1.00 0.00 C ATOM 1374 CG LYS A 90 10.745 -11.974 3.743 1.00 0.00 C ATOM 1375 CD LYS A 90 9.882 -12.884 4.611 1.00 0.00 C ATOM 1376 CE LYS A 90 9.645 -12.315 6.003 1.00 0.00 C ATOM 1377 NZ LYS A 90 8.571 -11.288 6.012 1.00 0.00 N ATOM 0 H LYS A 90 10.102 -11.032 0.521 1.00 0.00 H new ATOM 0 HA LYS A 90 12.467 -11.107 2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 90 9.914 -12.586 1.875 1.00 0.00 H new ATOM 0 HB3 LYS A 90 11.252 -13.575 2.425 1.00 0.00 H new ATOM 0 HG2 LYS A 90 11.727 -11.853 4.200 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.295 -10.983 3.687 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.922 -13.044 4.120 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.362 -13.859 4.698 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.379 -13.123 6.684 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.570 -11.875 6.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.105 -11.281 6.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.984 -10.352 5.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.871 -11.511 5.275 1.00 0.00 H new ATOM 1391 N LYS A 91 13.844 -13.092 1.324 1.00 0.00 N ATOM 1392 CA LYS A 91 14.762 -14.087 0.786 1.00 0.00 C ATOM 1393 C LYS A 91 14.394 -15.473 1.295 1.00 0.00 C ATOM 1394 O LYS A 91 13.458 -15.629 2.080 1.00 0.00 O ATOM 1395 CB LYS A 91 16.206 -13.774 1.192 1.00 0.00 C ATOM 1396 CG LYS A 91 16.860 -12.655 0.400 1.00 0.00 C ATOM 1397 CD LYS A 91 18.297 -12.447 0.852 1.00 0.00 C ATOM 1398 CE LYS A 91 19.072 -11.557 -0.102 1.00 0.00 C ATOM 1399 NZ LYS A 91 20.494 -11.420 0.306 1.00 0.00 N ATOM 0 H LYS A 91 14.134 -12.694 2.217 1.00 0.00 H new ATOM 0 HA LYS A 91 14.683 -14.061 -0.301 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.223 -13.510 2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 91 16.805 -14.678 1.080 1.00 0.00 H new ATOM 0 HG2 LYS A 91 16.839 -12.894 -0.663 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.295 -11.732 0.530 1.00 0.00 H new ATOM 0 HD2 LYS A 91 18.303 -12.003 1.847 1.00 0.00 H new ATOM 0 HD3 LYS A 91 18.795 -13.413 0.931 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.021 -11.971 -1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 91 18.608 -10.572 -0.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 21.071 -11.174 -0.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 20.579 -10.670 1.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 20.829 -12.320 0.706 1.00 0.00 H new ATOM 1413 N LEU A 92 15.145 -16.472 0.855 1.00 0.00 N ATOM 1414 CA LEU A 92 14.975 -17.836 1.343 1.00 0.00 C ATOM 1415 C LEU A 92 15.946 -18.104 2.490 1.00 0.00 C ATOM 1416 O LEU A 92 16.149 -19.245 2.911 1.00 0.00 O ATOM 1417 CB LEU A 92 15.160 -18.847 0.199 1.00 0.00 C ATOM 1418 CG LEU A 92 16.369 -18.625 -0.722 1.00 0.00 C ATOM 1419 CD1 LEU A 92 17.676 -18.996 -0.034 1.00 0.00 C ATOM 1420 CD2 LEU A 92 16.201 -19.422 -2.006 1.00 0.00 C ATOM 0 H LEU A 92 15.882 -16.364 0.158 1.00 0.00 H new ATOM 0 HA LEU A 92 13.960 -17.955 1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 92 15.241 -19.843 0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 92 14.258 -18.838 -0.413 1.00 0.00 H new ATOM 0 HG LEU A 92 16.415 -17.563 -0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 92 18.508 -18.825 -0.717 1.00 0.00 H new ATOM 0 HD12 LEU A 92 17.806 -18.381 0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 92 17.651 -20.048 0.252 1.00 0.00 H new ATOM 0 HD21 LEU A 92 17.064 -19.258 -2.652 1.00 0.00 H new ATOM 0 HD22 LEU A 92 16.123 -20.483 -1.768 1.00 0.00 H new ATOM 0 HD23 LEU A 92 15.296 -19.098 -2.520 1.00 0.00 H new ATOM 1432 N GLU A 93 16.530 -17.027 2.994 1.00 0.00 N ATOM 1433 CA GLU A 93 17.492 -17.099 4.071 1.00 0.00 C ATOM 1434 C GLU A 93 16.781 -17.382 5.386 1.00 0.00 C ATOM 1435 O GLU A 93 15.726 -16.820 5.681 1.00 0.00 O ATOM 1436 CB GLU A 93 18.288 -15.792 4.167 1.00 0.00 C ATOM 1437 CG GLU A 93 19.786 -15.998 4.346 1.00 0.00 C ATOM 1438 CD GLU A 93 20.128 -16.800 5.584 1.00 0.00 C ATOM 1439 OE1 GLU A 93 20.037 -18.048 5.533 1.00 0.00 O ATOM 1440 OE2 GLU A 93 20.493 -16.191 6.613 1.00 0.00 O ATOM 0 H GLU A 93 16.346 -16.080 2.664 1.00 0.00 H new ATOM 0 HA GLU A 93 18.188 -17.912 3.864 1.00 0.00 H new ATOM 0 HB2 GLU A 93 18.116 -15.206 3.264 1.00 0.00 H new ATOM 0 HB3 GLU A 93 17.908 -15.207 5.004 1.00 0.00 H new ATOM 0 HG2 GLU A 93 20.185 -16.507 3.468 1.00 0.00 H new ATOM 0 HG3 GLU A 93 20.277 -15.026 4.402 1.00 0.00 H new