USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 701 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 35 CYS SG : rot -75:sc= 0.818 USER MOD Set 1.2: A 100 GLN :FLIP amide:sc= -3.11! F(o=-3.3,f=-2.3!) USER MOD Set 2.1: A 31 HIS : no HE2:sc= -0.551 K(o=-4.5,f=-5.6) USER MOD Set 2.2: A 42 GLN : amide:sc= -1.19 K(o=-4.5,f=-10!) USER MOD Set 2.3: A 45 MET CE :methyl -174:sc= -1.96 (180deg=-0.811) USER MOD Set 2.4: A 49 HIS : no HE2:sc= -0.787 K(o=-4.5,f=-8.9!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -173:sc= -0.711 (180deg=-0.85) USER MOD Single : A 23 LYS NZ :NH3+ -155:sc= -0.186 (180deg=-1.04) USER MOD Single : A 30 SER OG : rot 123:sc= 1.23 USER MOD Single : A 32 ASN : amide:sc= 0.706 K(o=0.71,f=-0.5) USER MOD Single : A 36 GLN : amide:sc= -0.737 X(o=-0.74,f=-0.75) USER MOD Single : A 38 ASN : amide:sc= -0.0358 X(o=-0.036,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 151:sc= 0.0749 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -30:sc= 0.0197 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.0112 X(o=-0.011,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 175:sc= -0.63 (180deg=-0.698) USER MOD Single : A 64 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.671) USER MOD Single : A 65 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0558) USER MOD Single : A 77 ASN : amide:sc= -0.0035 X(o=-0.0035,f=-0.27) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -53:sc= 1.27 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0.109 USER MOD ----------------------------------------------------------------- ATOM 284 N TYR A 18 4.679 9.457 16.446 1.00 0.00 N ATOM 285 CA TYR A 18 5.933 10.220 16.429 1.00 0.00 C ATOM 286 C TYR A 18 7.220 9.508 16.847 1.00 0.00 C ATOM 287 O TYR A 18 8.312 9.980 16.545 1.00 0.00 O ATOM 288 CB TYR A 18 5.763 11.630 17.076 1.00 0.00 C ATOM 289 CG TYR A 18 4.635 12.374 16.366 1.00 0.00 C ATOM 290 CD1 TYR A 18 4.785 12.714 15.026 1.00 0.00 C ATOM 291 CD2 TYR A 18 3.428 12.694 16.979 1.00 0.00 C ATOM 292 CE1 TYR A 18 3.743 13.269 14.304 1.00 0.00 C ATOM 293 CE2 TYR A 18 2.399 13.283 16.261 1.00 0.00 C ATOM 294 CZ TYR A 18 2.543 13.542 14.919 1.00 0.00 C ATOM 295 OH TYR A 18 1.456 14.064 14.187 1.00 0.00 O ATOM 0 HA TYR A 18 6.118 10.345 15.362 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.538 11.532 18.138 1.00 0.00 H new ATOM 0 HB3 TYR A 18 6.693 12.194 16.998 1.00 0.00 H new ATOM 0 HD1 TYR A 18 5.733 12.542 14.539 1.00 0.00 H new ATOM 0 HD2 TYR A 18 3.291 12.481 18.029 1.00 0.00 H new ATOM 0 HE1 TYR A 18 3.872 13.489 13.254 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.477 13.540 16.760 1.00 0.00 H new ATOM 0 HH TYR A 18 0.691 14.193 14.785 1.00 0.00 H new ATOM 305 N ASP A 19 7.100 8.339 17.535 1.00 0.00 N ATOM 306 CA ASP A 19 8.184 7.437 17.916 1.00 0.00 C ATOM 307 C ASP A 19 8.555 6.477 16.763 1.00 0.00 C ATOM 308 O ASP A 19 9.503 6.730 16.027 1.00 0.00 O ATOM 309 CB ASP A 19 7.810 6.668 19.226 1.00 0.00 C ATOM 310 CG ASP A 19 8.992 5.913 19.856 1.00 0.00 C ATOM 311 OD1 ASP A 19 9.996 6.584 20.218 1.00 0.00 O ATOM 312 OD2 ASP A 19 8.900 4.664 19.978 1.00 0.00 O ATOM 0 H ASP A 19 6.191 7.998 17.847 1.00 0.00 H new ATOM 0 HA ASP A 19 9.074 8.032 18.120 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.414 7.377 19.953 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.013 5.958 19.006 1.00 0.00 H new ATOM 317 N MET A 20 7.830 5.332 16.596 1.00 0.00 N ATOM 318 CA MET A 20 8.066 4.271 15.609 1.00 0.00 C ATOM 319 C MET A 20 7.652 4.473 14.174 1.00 0.00 C ATOM 320 O MET A 20 8.202 3.825 13.287 1.00 0.00 O ATOM 321 CB MET A 20 7.613 2.858 16.120 1.00 0.00 C ATOM 322 CG MET A 20 6.215 2.344 15.711 1.00 0.00 C ATOM 323 SD MET A 20 6.206 0.645 15.043 1.00 0.00 S ATOM 324 CE MET A 20 7.397 0.763 13.667 1.00 0.00 C ATOM 0 H MET A 20 7.024 5.128 17.187 1.00 0.00 H new ATOM 0 HA MET A 20 9.152 4.337 15.540 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.348 2.130 15.778 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.658 2.868 17.209 1.00 0.00 H new ATOM 0 HG2 MET A 20 5.557 2.384 16.579 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.797 3.018 14.963 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.391 -0.168 13.100 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.116 1.588 13.012 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.396 0.940 14.065 1.00 0.00 H new ATOM 334 N VAL A 21 6.629 5.323 13.872 1.00 0.00 N ATOM 335 CA VAL A 21 6.126 5.453 12.468 1.00 0.00 C ATOM 336 C VAL A 21 7.037 6.224 11.549 1.00 0.00 C ATOM 337 O VAL A 21 7.086 5.951 10.353 1.00 0.00 O ATOM 338 CB VAL A 21 4.666 5.870 12.268 1.00 0.00 C ATOM 339 CG1 VAL A 21 3.747 5.164 13.291 1.00 0.00 C ATOM 340 CG2 VAL A 21 4.481 7.413 12.199 1.00 0.00 C ATOM 0 H VAL A 21 6.149 5.911 14.554 1.00 0.00 H new ATOM 0 HA VAL A 21 6.145 4.404 12.171 1.00 0.00 H new ATOM 0 HB VAL A 21 4.350 5.524 11.284 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.715 5.476 13.129 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.824 4.084 13.164 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.053 5.433 14.302 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.426 7.647 12.056 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.830 7.863 13.128 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.057 7.812 11.364 1.00 0.00 H new ATOM 350 N VAL A 22 7.765 7.235 12.100 1.00 0.00 N ATOM 351 CA VAL A 22 8.664 8.175 11.414 1.00 0.00 C ATOM 352 C VAL A 22 9.745 7.540 10.513 1.00 0.00 C ATOM 353 O VAL A 22 10.060 8.082 9.457 1.00 0.00 O ATOM 354 CB VAL A 22 9.173 9.256 12.377 1.00 0.00 C ATOM 355 CG1 VAL A 22 10.303 8.764 13.299 1.00 0.00 C ATOM 356 CG2 VAL A 22 9.562 10.546 11.620 1.00 0.00 C ATOM 0 H VAL A 22 7.729 7.417 13.103 1.00 0.00 H new ATOM 0 HA VAL A 22 8.050 8.680 10.669 1.00 0.00 H new ATOM 0 HB VAL A 22 8.340 9.497 13.037 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.617 9.576 13.954 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.944 7.930 13.902 1.00 0.00 H new ATOM 0 HG13 VAL A 22 11.149 8.437 12.695 1.00 0.00 H new ATOM 0 HG21 VAL A 22 9.918 11.292 12.331 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.351 10.323 10.902 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.691 10.935 11.092 1.00 0.00 H new ATOM 366 N LYS A 23 10.288 6.331 10.861 1.00 0.00 N ATOM 367 CA LYS A 23 11.126 5.505 9.969 1.00 0.00 C ATOM 368 C LYS A 23 10.381 4.766 8.842 1.00 0.00 C ATOM 369 O LYS A 23 10.944 4.464 7.792 1.00 0.00 O ATOM 370 CB LYS A 23 12.016 4.494 10.742 1.00 0.00 C ATOM 371 CG LYS A 23 11.241 3.552 11.676 1.00 0.00 C ATOM 372 CD LYS A 23 11.635 3.655 13.158 1.00 0.00 C ATOM 373 CE LYS A 23 11.249 4.982 13.833 1.00 0.00 C ATOM 374 NZ LYS A 23 12.278 6.034 13.672 1.00 0.00 N ATOM 0 H LYS A 23 10.147 5.911 11.780 1.00 0.00 H new ATOM 0 HA LYS A 23 11.753 6.254 9.484 1.00 0.00 H new ATOM 0 HB2 LYS A 23 12.573 3.895 10.022 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.748 5.048 11.330 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.176 3.763 11.581 1.00 0.00 H new ATOM 0 HG3 LYS A 23 11.394 2.525 11.343 1.00 0.00 H new ATOM 0 HD2 LYS A 23 11.166 2.836 13.703 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.713 3.519 13.244 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.307 5.336 13.414 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.079 4.807 14.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.197 6.720 14.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.223 5.601 13.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.137 6.521 12.764 1.00 0.00 H new ATOM 388 N ILE A 24 9.069 4.441 9.035 1.00 0.00 N ATOM 389 CA ILE A 24 8.198 3.772 8.065 1.00 0.00 C ATOM 390 C ILE A 24 7.704 4.677 6.952 1.00 0.00 C ATOM 391 O ILE A 24 7.670 4.244 5.808 1.00 0.00 O ATOM 392 CB ILE A 24 7.123 2.863 8.695 1.00 0.00 C ATOM 393 CG1 ILE A 24 7.701 1.409 8.638 1.00 0.00 C ATOM 394 CG2 ILE A 24 5.725 2.998 8.010 1.00 0.00 C ATOM 395 CD1 ILE A 24 6.851 0.307 9.281 1.00 0.00 C ATOM 0 H ILE A 24 8.587 4.653 9.908 1.00 0.00 H new ATOM 0 HA ILE A 24 8.850 3.066 7.552 1.00 0.00 H new ATOM 0 HB ILE A 24 6.923 3.158 9.725 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.863 1.148 7.592 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.678 1.411 9.121 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.014 2.333 8.500 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.376 4.027 8.094 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.808 2.728 6.957 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.359 -0.652 9.176 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.708 0.528 10.339 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.881 0.260 8.786 1.00 0.00 H new ATOM 407 N ILE A 25 7.352 5.971 7.201 1.00 0.00 N ATOM 408 CA ILE A 25 6.891 6.960 6.187 1.00 0.00 C ATOM 409 C ILE A 25 7.839 7.149 4.987 1.00 0.00 C ATOM 410 O ILE A 25 7.419 7.374 3.853 1.00 0.00 O ATOM 411 CB ILE A 25 6.424 8.295 6.786 1.00 0.00 C ATOM 412 CG1 ILE A 25 7.544 9.030 7.557 1.00 0.00 C ATOM 413 CG2 ILE A 25 5.204 8.012 7.687 1.00 0.00 C ATOM 414 CD1 ILE A 25 7.084 10.304 8.275 1.00 0.00 C ATOM 0 H ILE A 25 7.383 6.364 8.142 1.00 0.00 H new ATOM 0 HA ILE A 25 6.001 6.490 5.768 1.00 0.00 H new ATOM 0 HB ILE A 25 6.146 8.970 5.976 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.972 8.347 8.291 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.341 9.288 6.859 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.852 8.945 8.126 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.407 7.568 7.091 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.490 7.323 8.481 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.931 10.757 8.791 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.684 11.008 7.546 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.310 10.054 9.000 1.00 0.00 H new ATOM 426 N ASP A 26 9.161 6.947 5.255 1.00 0.00 N ATOM 427 CA ASP A 26 10.266 6.855 4.310 1.00 0.00 C ATOM 428 C ASP A 26 10.233 5.632 3.373 1.00 0.00 C ATOM 429 O ASP A 26 10.878 5.683 2.334 1.00 0.00 O ATOM 430 CB ASP A 26 11.650 6.897 5.019 1.00 0.00 C ATOM 431 CG ASP A 26 11.759 8.162 5.877 1.00 0.00 C ATOM 432 OD1 ASP A 26 11.659 9.279 5.303 1.00 0.00 O ATOM 433 OD2 ASP A 26 11.946 8.024 7.115 1.00 0.00 O ATOM 0 H ASP A 26 9.485 6.839 6.216 1.00 0.00 H new ATOM 0 HA ASP A 26 10.128 7.738 3.687 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.776 6.012 5.643 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.449 6.880 4.278 1.00 0.00 H new ATOM 438 N VAL A 27 9.463 4.517 3.649 1.00 0.00 N ATOM 439 CA VAL A 27 9.269 3.369 2.734 1.00 0.00 C ATOM 440 C VAL A 27 8.410 3.755 1.506 1.00 0.00 C ATOM 441 O VAL A 27 8.754 3.455 0.367 1.00 0.00 O ATOM 442 CB VAL A 27 8.748 2.018 3.330 1.00 0.00 C ATOM 443 CG1 VAL A 27 9.673 1.344 4.368 1.00 0.00 C ATOM 444 CG2 VAL A 27 7.331 2.034 3.929 1.00 0.00 C ATOM 0 H VAL A 27 8.961 4.408 4.530 1.00 0.00 H new ATOM 0 HA VAL A 27 10.299 3.149 2.455 1.00 0.00 H new ATOM 0 HB VAL A 27 8.734 1.429 2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.216 0.417 4.715 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.636 1.124 3.908 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.820 2.015 5.214 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.085 1.042 4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.289 2.755 4.745 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.613 2.316 3.158 1.00 0.00 H new ATOM 454 N LEU A 28 7.245 4.458 1.686 1.00 0.00 N ATOM 455 CA LEU A 28 6.359 4.855 0.585 1.00 0.00 C ATOM 456 C LEU A 28 6.832 5.978 -0.338 1.00 0.00 C ATOM 457 O LEU A 28 6.952 5.709 -1.525 1.00 0.00 O ATOM 458 CB LEU A 28 4.901 5.212 1.044 1.00 0.00 C ATOM 459 CG LEU A 28 4.123 4.219 1.954 1.00 0.00 C ATOM 460 CD1 LEU A 28 4.487 2.753 1.712 1.00 0.00 C ATOM 461 CD2 LEU A 28 4.187 4.523 3.469 1.00 0.00 C ATOM 0 H LEU A 28 6.912 4.755 2.603 1.00 0.00 H new ATOM 0 HA LEU A 28 6.380 3.935 0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.947 6.167 1.567 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.304 5.369 0.145 1.00 0.00 H new ATOM 0 HG LEU A 28 3.092 4.382 1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.906 2.119 2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.265 2.489 0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.550 2.606 1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.614 3.774 4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.225 4.499 3.801 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.768 5.511 3.660 1.00 0.00 H new ATOM 473 N ARG A 29 7.216 7.193 0.178 1.00 0.00 N ATOM 474 CA ARG A 29 7.802 8.393 -0.481 1.00 0.00 C ATOM 475 C ARG A 29 9.076 8.165 -1.300 1.00 0.00 C ATOM 476 O ARG A 29 9.405 8.933 -2.196 1.00 0.00 O ATOM 477 CB ARG A 29 8.060 9.492 0.582 1.00 0.00 C ATOM 478 CG ARG A 29 6.780 10.010 1.270 1.00 0.00 C ATOM 479 CD ARG A 29 7.099 10.895 2.484 1.00 0.00 C ATOM 480 NE ARG A 29 5.809 11.224 3.186 1.00 0.00 N ATOM 481 CZ ARG A 29 5.761 11.849 4.403 1.00 0.00 C ATOM 482 NH1 ARG A 29 6.905 12.250 5.031 1.00 0.00 N ATOM 483 NH2 ARG A 29 4.553 12.068 4.999 1.00 0.00 N ATOM 0 H ARG A 29 7.106 7.364 1.178 1.00 0.00 H new ATOM 0 HA ARG A 29 7.055 8.697 -1.214 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.735 9.097 1.342 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.570 10.330 0.107 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.187 10.578 0.553 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.171 9.164 1.588 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.778 10.378 3.162 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.601 11.809 2.166 1.00 0.00 H new ATOM 0 HE ARG A 29 4.930 10.970 2.734 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.812 12.085 4.594 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.853 12.715 5.938 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.695 11.767 4.538 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.509 12.533 5.906 1.00 0.00 H new ATOM 497 N SER A 30 9.852 7.130 -0.932 1.00 0.00 N ATOM 498 CA SER A 30 11.177 6.758 -1.473 1.00 0.00 C ATOM 499 C SER A 30 11.126 6.079 -2.806 1.00 0.00 C ATOM 500 O SER A 30 11.834 6.453 -3.728 1.00 0.00 O ATOM 501 CB SER A 30 12.034 5.861 -0.536 1.00 0.00 C ATOM 502 OG SER A 30 12.471 6.598 0.598 1.00 0.00 O ATOM 0 H SER A 30 9.552 6.486 -0.200 1.00 0.00 H new ATOM 0 HA SER A 30 11.652 7.734 -1.571 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.449 4.999 -0.214 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.896 5.476 -1.081 1.00 0.00 H new ATOM 0 HG SER A 30 12.163 6.154 1.415 1.00 0.00 H new ATOM 508 N HIS A 31 10.254 5.053 -2.991 1.00 0.00 N ATOM 509 CA HIS A 31 10.029 4.412 -4.283 1.00 0.00 C ATOM 510 C HIS A 31 9.214 5.337 -5.226 1.00 0.00 C ATOM 511 O HIS A 31 9.391 5.350 -6.439 1.00 0.00 O ATOM 512 CB HIS A 31 9.399 3.011 -4.113 1.00 0.00 C ATOM 513 CG HIS A 31 9.971 2.104 -3.040 1.00 0.00 C ATOM 514 ND1 HIS A 31 9.322 0.942 -2.695 1.00 0.00 N ATOM 515 CD2 HIS A 31 10.993 2.222 -2.140 1.00 0.00 C ATOM 516 CE1 HIS A 31 9.941 0.434 -1.605 1.00 0.00 C ATOM 517 NE2 HIS A 31 10.962 1.176 -1.228 1.00 0.00 N ATOM 0 H HIS A 31 9.693 4.657 -2.236 1.00 0.00 H new ATOM 0 HA HIS A 31 10.994 4.253 -4.763 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.337 3.144 -3.908 1.00 0.00 H new ATOM 0 HB3 HIS A 31 9.477 2.491 -5.068 1.00 0.00 H new ATOM 0 HD1 HIS A 31 8.518 0.536 -3.175 1.00 0.00 H new ATOM 0 HD2 HIS A 31 11.723 3.018 -2.139 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.635 -0.472 -1.103 1.00 0.00 H new ATOM 525 N ASN A 32 8.324 6.176 -4.606 1.00 0.00 N ATOM 526 CA ASN A 32 7.427 7.217 -5.089 1.00 0.00 C ATOM 527 C ASN A 32 8.054 8.302 -5.957 1.00 0.00 C ATOM 528 O ASN A 32 7.450 8.765 -6.916 1.00 0.00 O ATOM 529 CB ASN A 32 6.741 7.796 -3.825 1.00 0.00 C ATOM 530 CG ASN A 32 5.236 7.573 -3.848 1.00 0.00 C ATOM 531 OD1 ASN A 32 4.539 8.150 -4.680 1.00 0.00 O ATOM 532 ND2 ASN A 32 4.763 6.663 -2.960 1.00 0.00 N ATOM 0 H ASN A 32 8.226 6.102 -3.593 1.00 0.00 H new ATOM 0 HA ASN A 32 6.720 6.769 -5.787 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.164 7.329 -2.935 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.949 8.864 -3.755 1.00 0.00 H new ATOM 0 HD21 ASN A 32 3.772 6.421 -2.957 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.398 6.221 -2.295 1.00 0.00 H new ATOM 539 N GLU A 33 9.323 8.700 -5.690 1.00 0.00 N ATOM 540 CA GLU A 33 10.114 9.586 -6.538 1.00 0.00 C ATOM 541 C GLU A 33 10.625 8.965 -7.844 1.00 0.00 C ATOM 542 O GLU A 33 10.614 9.593 -8.893 1.00 0.00 O ATOM 543 CB GLU A 33 11.171 10.306 -5.650 1.00 0.00 C ATOM 544 CG GLU A 33 12.315 9.413 -5.161 1.00 0.00 C ATOM 545 CD GLU A 33 13.373 10.241 -4.434 1.00 0.00 C ATOM 546 OE1 GLU A 33 14.002 11.112 -5.093 1.00 0.00 O ATOM 547 OE2 GLU A 33 13.567 10.011 -3.210 1.00 0.00 O ATOM 0 H GLU A 33 9.825 8.398 -4.855 1.00 0.00 H new ATOM 0 HA GLU A 33 9.460 10.351 -6.956 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.594 11.137 -6.215 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.666 10.733 -4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.924 8.646 -4.493 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.768 8.897 -6.008 1.00 0.00 H new ATOM 554 N ALA A 34 11.021 7.672 -7.819 1.00 0.00 N ATOM 555 CA ALA A 34 11.359 6.791 -8.944 1.00 0.00 C ATOM 556 C ALA A 34 10.197 6.323 -9.751 1.00 0.00 C ATOM 557 O ALA A 34 10.334 5.952 -10.915 1.00 0.00 O ATOM 558 CB ALA A 34 12.175 5.570 -8.457 1.00 0.00 C ATOM 0 H ALA A 34 11.119 7.182 -6.930 1.00 0.00 H new ATOM 0 HA ALA A 34 11.956 7.413 -9.611 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.415 4.930 -9.306 1.00 0.00 H new ATOM 0 HB2 ALA A 34 13.098 5.912 -7.989 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.588 5.006 -7.732 1.00 0.00 H new ATOM 564 N CYS A 35 9.006 6.285 -9.093 1.00 0.00 N ATOM 565 CA CYS A 35 7.740 5.780 -9.589 1.00 0.00 C ATOM 566 C CYS A 35 7.211 6.392 -10.845 1.00 0.00 C ATOM 567 O CYS A 35 6.617 5.681 -11.648 1.00 0.00 O ATOM 568 CB CYS A 35 6.633 5.674 -8.485 1.00 0.00 C ATOM 569 SG CYS A 35 5.385 7.018 -8.254 1.00 0.00 S ATOM 0 H CYS A 35 8.923 6.635 -8.139 1.00 0.00 H new ATOM 0 HA CYS A 35 8.015 4.769 -9.890 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.080 4.754 -8.675 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.145 5.547 -7.531 1.00 0.00 H new ATOM 0 HG CYS A 35 5.942 8.029 -7.657 1.00 0.00 H new ATOM 575 N GLN A 36 7.519 7.705 -11.068 1.00 0.00 N ATOM 576 CA GLN A 36 7.159 8.562 -12.201 1.00 0.00 C ATOM 577 C GLN A 36 7.479 8.047 -13.611 1.00 0.00 C ATOM 578 O GLN A 36 7.096 8.612 -14.636 1.00 0.00 O ATOM 579 CB GLN A 36 7.858 9.946 -11.985 1.00 0.00 C ATOM 580 CG GLN A 36 9.414 9.982 -11.854 1.00 0.00 C ATOM 581 CD GLN A 36 10.263 9.651 -13.090 1.00 0.00 C ATOM 582 OE1 GLN A 36 11.351 9.087 -12.965 1.00 0.00 O ATOM 583 NE2 GLN A 36 9.781 9.961 -14.310 1.00 0.00 N ATOM 0 H GLN A 36 8.077 8.221 -10.387 1.00 0.00 H new ATOM 0 HA GLN A 36 6.070 8.606 -12.192 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.580 10.591 -12.818 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.439 10.392 -11.083 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.695 10.980 -11.517 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.696 9.287 -11.063 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.878 10.428 -14.398 1.00 0.00 H new ATOM 0 HE22 GLN A 36 10.319 9.729 -15.145 1.00 0.00 H new ATOM 592 N GLU A 37 8.325 6.992 -13.627 1.00 0.00 N ATOM 593 CA GLU A 37 8.953 6.324 -14.751 1.00 0.00 C ATOM 594 C GLU A 37 8.454 4.904 -14.975 1.00 0.00 C ATOM 595 O GLU A 37 8.718 4.278 -16.001 1.00 0.00 O ATOM 596 CB GLU A 37 10.457 6.293 -14.343 1.00 0.00 C ATOM 597 CG GLU A 37 11.420 5.223 -14.906 1.00 0.00 C ATOM 598 CD GLU A 37 12.147 5.749 -16.137 1.00 0.00 C ATOM 599 OE1 GLU A 37 11.461 6.042 -17.151 1.00 0.00 O ATOM 600 OE2 GLU A 37 13.402 5.865 -16.082 1.00 0.00 O ATOM 0 H GLU A 37 8.603 6.553 -12.749 1.00 0.00 H new ATOM 0 HA GLU A 37 8.739 6.842 -15.686 1.00 0.00 H new ATOM 0 HB2 GLU A 37 10.876 7.265 -14.601 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.490 6.210 -13.257 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.145 4.941 -14.142 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.862 4.323 -15.164 1.00 0.00 H new ATOM 607 N ASN A 38 7.787 4.292 -13.990 1.00 0.00 N ATOM 608 CA ASN A 38 7.472 2.888 -14.089 1.00 0.00 C ATOM 609 C ASN A 38 6.000 2.778 -13.940 1.00 0.00 C ATOM 610 O ASN A 38 5.377 3.607 -13.293 1.00 0.00 O ATOM 611 CB ASN A 38 8.196 2.150 -12.940 1.00 0.00 C ATOM 612 CG ASN A 38 9.620 1.785 -13.333 1.00 0.00 C ATOM 613 OD1 ASN A 38 9.875 0.686 -13.821 1.00 0.00 O ATOM 614 ND2 ASN A 38 10.593 2.692 -13.078 1.00 0.00 N ATOM 0 H ASN A 38 7.466 4.748 -13.136 1.00 0.00 H new ATOM 0 HA ASN A 38 7.789 2.450 -15.036 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.211 2.781 -12.051 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.645 1.246 -12.680 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.565 2.470 -13.291 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.353 3.597 -12.673 1.00 0.00 H new ATOM 621 N LYS A 39 5.399 1.699 -14.500 1.00 0.00 N ATOM 622 CA LYS A 39 3.968 1.422 -14.424 1.00 0.00 C ATOM 623 C LYS A 39 3.502 1.064 -13.009 1.00 0.00 C ATOM 624 O LYS A 39 2.668 1.742 -12.421 1.00 0.00 O ATOM 625 CB LYS A 39 3.575 0.397 -15.533 1.00 0.00 C ATOM 626 CG LYS A 39 4.215 -1.012 -15.483 1.00 0.00 C ATOM 627 CD LYS A 39 3.400 -2.014 -14.648 1.00 0.00 C ATOM 628 CE LYS A 39 2.650 -3.038 -15.509 1.00 0.00 C ATOM 629 NZ LYS A 39 1.870 -3.978 -14.672 1.00 0.00 N ATOM 0 H LYS A 39 5.916 0.993 -15.023 1.00 0.00 H new ATOM 0 HA LYS A 39 3.414 2.337 -14.634 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.492 0.273 -15.504 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.819 0.840 -16.498 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.319 -1.394 -16.499 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.220 -0.934 -15.068 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.069 -2.540 -13.967 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.683 -1.469 -14.034 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.981 -2.519 -16.195 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.362 -3.595 -16.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.039 -4.308 -15.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.465 -4.792 -14.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.557 -3.494 -13.806 1.00 0.00 H new ATOM 643 N ASP A 40 4.144 0.031 -12.434 1.00 0.00 N ATOM 644 CA ASP A 40 4.064 -0.376 -11.058 1.00 0.00 C ATOM 645 C ASP A 40 5.406 -0.994 -10.741 1.00 0.00 C ATOM 646 O ASP A 40 5.553 -2.196 -10.909 1.00 0.00 O ATOM 647 CB ASP A 40 2.791 -1.169 -10.594 1.00 0.00 C ATOM 648 CG ASP A 40 2.300 -2.298 -11.506 1.00 0.00 C ATOM 649 OD1 ASP A 40 3.024 -3.312 -11.668 1.00 0.00 O ATOM 650 OD2 ASP A 40 1.164 -2.160 -12.038 1.00 0.00 O ATOM 0 H ASP A 40 4.769 -0.569 -12.972 1.00 0.00 H new ATOM 0 HA ASP A 40 3.880 0.497 -10.432 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.997 -1.593 -9.611 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.976 -0.456 -10.469 1.00 0.00 H new ATOM 655 N LEU A 41 6.446 -0.210 -10.281 1.00 0.00 N ATOM 656 CA LEU A 41 7.780 -0.680 -9.836 1.00 0.00 C ATOM 657 C LEU A 41 7.770 -1.605 -8.597 1.00 0.00 C ATOM 658 O LEU A 41 8.565 -2.527 -8.458 1.00 0.00 O ATOM 659 CB LEU A 41 8.866 0.414 -9.695 1.00 0.00 C ATOM 660 CG LEU A 41 8.736 1.363 -8.497 1.00 0.00 C ATOM 661 CD1 LEU A 41 10.020 2.177 -8.349 1.00 0.00 C ATOM 662 CD2 LEU A 41 7.534 2.283 -8.624 1.00 0.00 C ATOM 0 H LEU A 41 6.356 0.804 -10.214 1.00 0.00 H new ATOM 0 HA LEU A 41 8.074 -1.292 -10.688 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.838 -0.077 -9.637 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.866 1.013 -10.605 1.00 0.00 H new ATOM 0 HG LEU A 41 8.580 0.758 -7.604 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.927 2.851 -7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.862 1.503 -8.188 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.189 2.758 -9.255 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.482 2.937 -7.753 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.632 2.887 -9.526 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.624 1.686 -8.684 1.00 0.00 H new ATOM 674 N GLN A 42 6.767 -1.399 -7.718 1.00 0.00 N ATOM 675 CA GLN A 42 6.271 -2.137 -6.588 1.00 0.00 C ATOM 676 C GLN A 42 5.161 -3.128 -6.970 1.00 0.00 C ATOM 677 O GLN A 42 4.226 -3.112 -6.168 1.00 0.00 O ATOM 678 CB GLN A 42 5.891 -1.322 -5.328 1.00 0.00 C ATOM 679 CG GLN A 42 6.031 -2.144 -4.014 1.00 0.00 C ATOM 680 CD GLN A 42 7.477 -2.306 -3.525 1.00 0.00 C ATOM 681 OE1 GLN A 42 7.946 -1.556 -2.670 1.00 0.00 O ATOM 682 NE2 GLN A 42 8.181 -3.328 -4.063 1.00 0.00 N ATOM 0 H GLN A 42 6.205 -0.555 -7.829 1.00 0.00 H new ATOM 0 HA GLN A 42 7.153 -2.696 -6.276 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.526 -0.438 -5.268 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.864 -0.971 -5.424 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.447 -1.660 -3.232 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.599 -3.133 -4.169 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.753 -3.926 -4.770 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.140 -3.501 -3.762 1.00 0.00 H new ATOM 691 N PRO A 43 5.029 -3.936 -8.107 1.00 0.00 N ATOM 692 CA PRO A 43 3.815 -4.626 -8.641 1.00 0.00 C ATOM 693 C PRO A 43 2.931 -5.288 -7.561 1.00 0.00 C ATOM 694 O PRO A 43 1.714 -5.195 -7.663 1.00 0.00 O ATOM 695 CB PRO A 43 4.361 -5.646 -9.670 1.00 0.00 C ATOM 696 CG PRO A 43 5.815 -5.863 -9.261 1.00 0.00 C ATOM 697 CD PRO A 43 6.216 -4.470 -8.786 1.00 0.00 C ATOM 0 HA PRO A 43 3.133 -3.905 -9.092 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.798 -6.579 -9.641 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.288 -5.261 -10.687 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.911 -6.608 -8.471 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.428 -6.203 -10.096 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.069 -4.516 -8.109 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.508 -3.837 -9.624 1.00 0.00 H new ATOM 705 N TYR A 44 3.569 -5.818 -6.480 1.00 0.00 N ATOM 706 CA TYR A 44 2.980 -6.150 -5.197 1.00 0.00 C ATOM 707 C TYR A 44 4.154 -6.083 -4.190 1.00 0.00 C ATOM 708 O TYR A 44 5.316 -6.225 -4.576 1.00 0.00 O ATOM 709 CB TYR A 44 2.378 -7.603 -5.127 1.00 0.00 C ATOM 710 CG TYR A 44 1.040 -7.810 -5.854 1.00 0.00 C ATOM 711 CD1 TYR A 44 0.975 -8.222 -7.188 1.00 0.00 C ATOM 712 CD2 TYR A 44 -0.175 -7.689 -5.179 1.00 0.00 C ATOM 713 CE1 TYR A 44 -0.232 -8.525 -7.795 1.00 0.00 C ATOM 714 CE2 TYR A 44 -1.374 -8.048 -5.771 1.00 0.00 C ATOM 715 CZ TYR A 44 -1.405 -8.462 -7.083 1.00 0.00 C ATOM 716 OH TYR A 44 -2.618 -8.836 -7.702 1.00 0.00 O ATOM 0 H TYR A 44 4.567 -6.029 -6.506 1.00 0.00 H new ATOM 0 HA TYR A 44 2.156 -5.465 -4.997 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.107 -8.298 -5.543 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.245 -7.870 -4.079 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.888 -8.306 -7.759 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.180 -7.306 -4.169 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.251 -8.813 -8.836 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.290 -8.003 -5.200 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.355 -8.736 -7.064 1.00 0.00 H new ATOM 726 N MET A 45 3.834 -5.915 -2.876 1.00 0.00 N ATOM 727 CA MET A 45 4.714 -6.010 -1.699 1.00 0.00 C ATOM 728 C MET A 45 3.856 -6.651 -0.588 1.00 0.00 C ATOM 729 O MET A 45 2.655 -6.368 -0.560 1.00 0.00 O ATOM 730 CB MET A 45 5.288 -4.657 -1.106 1.00 0.00 C ATOM 731 CG MET A 45 4.243 -3.529 -0.945 1.00 0.00 C ATOM 732 SD MET A 45 4.510 -2.214 0.268 1.00 0.00 S ATOM 733 CE MET A 45 5.358 -0.919 -0.655 1.00 0.00 C ATOM 0 H MET A 45 2.877 -5.693 -2.602 1.00 0.00 H new ATOM 0 HA MET A 45 5.592 -6.568 -2.026 1.00 0.00 H new ATOM 0 HB2 MET A 45 5.734 -4.863 -0.133 1.00 0.00 H new ATOM 0 HB3 MET A 45 6.089 -4.302 -1.755 1.00 0.00 H new ATOM 0 HG2 MET A 45 4.127 -3.053 -1.919 1.00 0.00 H new ATOM 0 HG3 MET A 45 3.290 -4.002 -0.706 1.00 0.00 H new ATOM 0 HE1 MET A 45 5.656 -0.122 0.026 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.243 -1.335 -1.136 1.00 0.00 H new ATOM 0 HE3 MET A 45 4.688 -0.515 -1.414 1.00 0.00 H new ATOM 743 N PRO A 46 4.329 -7.509 0.357 1.00 0.00 N ATOM 744 CA PRO A 46 3.576 -7.918 1.561 1.00 0.00 C ATOM 745 C PRO A 46 3.622 -6.814 2.637 1.00 0.00 C ATOM 746 O PRO A 46 4.318 -5.808 2.469 1.00 0.00 O ATOM 747 CB PRO A 46 4.451 -9.098 2.063 1.00 0.00 C ATOM 748 CG PRO A 46 5.896 -8.644 1.773 1.00 0.00 C ATOM 749 CD PRO A 46 5.695 -8.057 0.361 1.00 0.00 C ATOM 0 HA PRO A 46 2.527 -8.139 1.365 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.297 -9.284 3.126 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.211 -10.023 1.539 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.255 -7.904 2.488 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.606 -9.471 1.787 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.430 -7.281 0.150 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.813 -8.824 -0.404 1.00 0.00 H new ATOM 757 N ILE A 47 2.960 -7.000 3.818 1.00 0.00 N ATOM 758 CA ILE A 47 3.056 -6.067 4.968 1.00 0.00 C ATOM 759 C ILE A 47 4.485 -6.048 5.562 1.00 0.00 C ATOM 760 O ILE A 47 5.065 -4.960 5.629 1.00 0.00 O ATOM 761 CB ILE A 47 1.928 -6.157 6.019 1.00 0.00 C ATOM 762 CG1 ILE A 47 0.570 -6.446 5.336 1.00 0.00 C ATOM 763 CG2 ILE A 47 1.857 -4.853 6.849 1.00 0.00 C ATOM 764 CD1 ILE A 47 -0.651 -6.169 6.231 1.00 0.00 C ATOM 0 H ILE A 47 2.350 -7.799 3.992 1.00 0.00 H new ATOM 0 HA ILE A 47 2.868 -5.080 4.545 1.00 0.00 H new ATOM 0 HB ILE A 47 2.151 -6.982 6.695 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.492 -5.839 4.434 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.548 -7.489 5.021 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.057 -4.933 7.585 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.806 -4.695 7.361 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.658 -4.011 6.187 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.564 -6.396 5.681 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.599 -6.795 7.122 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.656 -5.120 6.525 1.00 0.00 H new ATOM 776 N PRO A 48 5.160 -7.175 5.945 1.00 0.00 N ATOM 777 CA PRO A 48 6.576 -7.291 6.263 1.00 0.00 C ATOM 778 C PRO A 48 7.651 -6.764 5.323 1.00 0.00 C ATOM 779 O PRO A 48 8.767 -6.657 5.782 1.00 0.00 O ATOM 780 CB PRO A 48 6.807 -8.485 7.189 1.00 0.00 C ATOM 781 CG PRO A 48 5.401 -9.096 7.314 1.00 0.00 C ATOM 782 CD PRO A 48 4.578 -8.499 6.147 1.00 0.00 C ATOM 0 HA PRO A 48 6.862 -6.408 6.835 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.520 -9.193 6.766 1.00 0.00 H new ATOM 0 HB3 PRO A 48 7.201 -8.176 8.157 1.00 0.00 H new ATOM 0 HG2 PRO A 48 5.440 -10.183 7.249 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.951 -8.850 8.276 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.657 -9.111 5.249 1.00 0.00 H new ATOM 0 HD3 PRO A 48 3.519 -8.436 6.397 1.00 0.00 H new ATOM 790 N HIS A 49 7.421 -6.456 4.013 1.00 0.00 N ATOM 791 CA HIS A 49 8.378 -5.729 3.123 1.00 0.00 C ATOM 792 C HIS A 49 8.670 -4.322 3.675 1.00 0.00 C ATOM 793 O HIS A 49 9.814 -3.941 3.889 1.00 0.00 O ATOM 794 CB HIS A 49 7.874 -5.598 1.637 1.00 0.00 C ATOM 795 CG HIS A 49 8.273 -4.353 0.847 1.00 0.00 C ATOM 796 ND1 HIS A 49 7.500 -3.222 0.878 1.00 0.00 N ATOM 797 CD2 HIS A 49 9.479 -3.939 0.373 1.00 0.00 C ATOM 798 CE1 HIS A 49 8.259 -2.184 0.479 1.00 0.00 C ATOM 799 NE2 HIS A 49 9.472 -2.568 0.147 1.00 0.00 N ATOM 0 H HIS A 49 6.554 -6.709 3.539 1.00 0.00 H new ATOM 0 HA HIS A 49 9.286 -6.332 3.111 1.00 0.00 H new ATOM 0 HB2 HIS A 49 8.229 -6.469 1.087 1.00 0.00 H new ATOM 0 HB3 HIS A 49 6.785 -5.650 1.649 1.00 0.00 H new ATOM 0 HD1 HIS A 49 6.520 -3.175 1.155 1.00 0.00 H new ATOM 0 HD2 HIS A 49 10.325 -4.587 0.197 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.914 -1.161 0.437 1.00 0.00 H new ATOM 807 N VAL A 50 7.570 -3.592 4.033 1.00 0.00 N ATOM 808 CA VAL A 50 7.594 -2.302 4.745 1.00 0.00 C ATOM 809 C VAL A 50 7.942 -2.490 6.219 1.00 0.00 C ATOM 810 O VAL A 50 8.671 -1.681 6.796 1.00 0.00 O ATOM 811 CB VAL A 50 6.406 -1.352 4.483 1.00 0.00 C ATOM 812 CG1 VAL A 50 5.652 -1.697 3.194 1.00 0.00 C ATOM 813 CG2 VAL A 50 5.493 -1.029 5.690 1.00 0.00 C ATOM 0 H VAL A 50 6.622 -3.905 3.822 1.00 0.00 H new ATOM 0 HA VAL A 50 8.410 -1.742 4.288 1.00 0.00 H new ATOM 0 HB VAL A 50 6.883 -0.386 4.317 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.826 -0.999 3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.332 -1.626 2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.261 -2.712 3.262 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.698 -0.353 5.374 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.055 -1.951 6.072 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.082 -0.555 6.475 1.00 0.00 H new ATOM 823 N ARG A 51 7.519 -3.633 6.864 1.00 0.00 N ATOM 824 CA ARG A 51 8.025 -4.029 8.173 1.00 0.00 C ATOM 825 C ARG A 51 9.513 -4.404 8.203 1.00 0.00 C ATOM 826 O ARG A 51 10.160 -4.114 9.186 1.00 0.00 O ATOM 827 CB ARG A 51 7.229 -5.055 9.013 1.00 0.00 C ATOM 828 CG ARG A 51 5.705 -4.892 8.969 1.00 0.00 C ATOM 829 CD ARG A 51 4.995 -5.924 9.859 1.00 0.00 C ATOM 830 NE ARG A 51 3.563 -6.111 9.441 1.00 0.00 N ATOM 831 CZ ARG A 51 2.602 -6.648 10.259 1.00 0.00 C ATOM 832 NH1 ARG A 51 2.884 -6.982 11.552 1.00 0.00 N ATOM 833 NH2 ARG A 51 1.341 -6.843 9.776 1.00 0.00 N ATOM 0 H ARG A 51 6.829 -4.276 6.475 1.00 0.00 H new ATOM 0 HA ARG A 51 7.863 -3.075 8.675 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.481 -6.057 8.667 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.556 -4.984 10.050 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.437 -3.887 9.294 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.358 -4.998 7.941 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.520 -6.878 9.804 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.033 -5.599 10.899 1.00 0.00 H new ATOM 0 HE ARG A 51 3.292 -5.824 8.501 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.822 -6.833 11.924 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.157 -7.380 12.146 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.119 -6.590 8.813 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.620 -7.242 10.378 1.00 0.00 H new ATOM 847 N ASP A 52 10.155 -4.970 7.132 1.00 0.00 N ATOM 848 CA ASP A 52 11.616 -5.236 7.021 1.00 0.00 C ATOM 849 C ASP A 52 12.551 -4.000 7.168 1.00 0.00 C ATOM 850 O ASP A 52 13.767 -4.112 7.284 1.00 0.00 O ATOM 851 CB ASP A 52 11.957 -6.018 5.706 1.00 0.00 C ATOM 852 CG ASP A 52 13.309 -6.749 5.741 1.00 0.00 C ATOM 853 OD1 ASP A 52 13.492 -7.612 6.641 1.00 0.00 O ATOM 854 OD2 ASP A 52 14.167 -6.451 4.870 1.00 0.00 O ATOM 0 H ASP A 52 9.646 -5.261 6.297 1.00 0.00 H new ATOM 0 HA ASP A 52 11.828 -5.853 7.894 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.168 -6.745 5.514 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.956 -5.319 4.870 1.00 0.00 H new ATOM 859 N SER A 53 11.962 -2.782 7.092 1.00 0.00 N ATOM 860 CA SER A 53 12.579 -1.470 7.194 1.00 0.00 C ATOM 861 C SER A 53 12.649 -0.836 8.587 1.00 0.00 C ATOM 862 O SER A 53 13.431 0.088 8.797 1.00 0.00 O ATOM 863 CB SER A 53 11.759 -0.498 6.332 1.00 0.00 C ATOM 864 OG SER A 53 12.388 0.770 6.095 1.00 0.00 O ATOM 0 H SER A 53 10.956 -2.704 6.945 1.00 0.00 H new ATOM 0 HA SER A 53 13.610 -1.632 6.880 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.552 -0.971 5.372 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.798 -0.327 6.816 1.00 0.00 H new ATOM 0 HG SER A 53 12.968 0.994 6.853 1.00 0.00 H new ATOM 870 N LEU A 54 11.757 -1.217 9.566 1.00 0.00 N ATOM 871 CA LEU A 54 11.608 -0.524 10.863 1.00 0.00 C ATOM 872 C LEU A 54 12.814 -0.708 11.797 1.00 0.00 C ATOM 873 O LEU A 54 13.054 0.106 12.686 1.00 0.00 O ATOM 874 CB LEU A 54 10.246 -0.705 11.659 1.00 0.00 C ATOM 875 CG LEU A 54 9.652 -2.105 12.005 1.00 0.00 C ATOM 876 CD1 LEU A 54 8.358 -2.410 11.259 1.00 0.00 C ATOM 877 CD2 LEU A 54 10.612 -3.274 11.962 1.00 0.00 C ATOM 0 H LEU A 54 11.130 -2.015 9.461 1.00 0.00 H new ATOM 0 HA LEU A 54 11.567 0.510 10.522 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.366 -0.176 12.604 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.481 -0.175 11.091 1.00 0.00 H new ATOM 0 HG LEU A 54 9.414 -1.998 13.063 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.998 -3.398 11.545 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.607 -1.662 11.513 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.543 -2.388 10.185 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.081 -4.190 12.221 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.028 -3.367 10.959 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.419 -3.108 12.675 1.00 0.00 H new ATOM 889 N ILE A 55 13.558 -1.817 11.560 1.00 0.00 N ATOM 890 CA ILE A 55 14.830 -2.231 12.198 1.00 0.00 C ATOM 891 C ILE A 55 15.549 -3.163 11.188 1.00 0.00 C ATOM 892 O ILE A 55 14.873 -3.822 10.401 1.00 0.00 O ATOM 893 CB ILE A 55 14.707 -2.840 13.623 1.00 0.00 C ATOM 894 CG1 ILE A 55 14.207 -1.893 14.738 1.00 0.00 C ATOM 895 CG2 ILE A 55 16.015 -3.456 14.163 1.00 0.00 C ATOM 896 CD1 ILE A 55 12.767 -2.249 15.089 1.00 0.00 C ATOM 0 H ILE A 55 13.259 -2.498 10.862 1.00 0.00 H new ATOM 0 HA ILE A 55 15.422 -1.339 12.404 1.00 0.00 H new ATOM 0 HB ILE A 55 13.950 -3.600 13.429 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.842 -1.983 15.620 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.267 -0.857 14.406 1.00 0.00 H new ATOM 0 HG21 ILE A 55 15.843 -3.858 15.161 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.340 -4.258 13.500 1.00 0.00 H new ATOM 0 HG23 ILE A 55 16.787 -2.688 14.210 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.409 -1.584 15.875 1.00 0.00 H new ATOM 0 HD12 ILE A 55 12.139 -2.137 14.205 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.722 -3.281 15.438 1.00 0.00 H new ATOM 908 N GLN A 56 16.919 -3.217 11.180 1.00 0.00 N ATOM 909 CA GLN A 56 17.804 -4.005 10.299 1.00 0.00 C ATOM 910 C GLN A 56 18.309 -5.436 10.647 1.00 0.00 C ATOM 911 O GLN A 56 18.201 -6.277 9.755 1.00 0.00 O ATOM 912 CB GLN A 56 19.005 -3.127 9.833 1.00 0.00 C ATOM 913 CG GLN A 56 18.606 -2.047 8.804 1.00 0.00 C ATOM 914 CD GLN A 56 18.216 -2.711 7.479 1.00 0.00 C ATOM 915 OE1 GLN A 56 19.075 -3.207 6.751 1.00 0.00 O ATOM 916 NE2 GLN A 56 16.898 -2.743 7.161 1.00 0.00 N ATOM 0 H GLN A 56 17.460 -2.664 11.845 1.00 0.00 H new ATOM 0 HA GLN A 56 17.075 -4.266 9.532 1.00 0.00 H new ATOM 0 HB2 GLN A 56 19.452 -2.644 10.702 1.00 0.00 H new ATOM 0 HB3 GLN A 56 19.769 -3.770 9.397 1.00 0.00 H new ATOM 0 HG2 GLN A 56 17.772 -1.459 9.186 1.00 0.00 H new ATOM 0 HG3 GLN A 56 19.436 -1.358 8.646 1.00 0.00 H new ATOM 0 HE21 GLN A 56 16.212 -2.322 7.787 1.00 0.00 H new ATOM 0 HE22 GLN A 56 16.593 -3.188 6.295 1.00 0.00 H new ATOM 925 N PRO A 57 18.939 -5.784 11.801 1.00 0.00 N ATOM 926 CA PRO A 57 19.610 -7.083 12.037 1.00 0.00 C ATOM 927 C PRO A 57 18.662 -8.195 12.537 1.00 0.00 C ATOM 928 O PRO A 57 17.676 -8.507 11.885 1.00 0.00 O ATOM 929 CB PRO A 57 20.627 -6.683 13.130 1.00 0.00 C ATOM 930 CG PRO A 57 19.812 -5.697 13.971 1.00 0.00 C ATOM 931 CD PRO A 57 19.246 -4.820 12.858 1.00 0.00 C ATOM 0 HA PRO A 57 20.035 -7.515 11.131 1.00 0.00 H new ATOM 0 HB2 PRO A 57 20.958 -7.542 13.714 1.00 0.00 H new ATOM 0 HB3 PRO A 57 21.519 -6.220 12.708 1.00 0.00 H new ATOM 0 HG2 PRO A 57 19.033 -6.188 14.554 1.00 0.00 H new ATOM 0 HG3 PRO A 57 20.429 -5.136 14.673 1.00 0.00 H new ATOM 0 HD2 PRO A 57 18.356 -4.281 13.183 1.00 0.00 H new ATOM 0 HD3 PRO A 57 19.968 -4.074 12.526 1.00 0.00 H new ATOM 939 N HIS A 58 18.959 -8.803 13.724 1.00 0.00 N ATOM 940 CA HIS A 58 18.218 -9.848 14.436 1.00 0.00 C ATOM 941 C HIS A 58 16.969 -9.335 15.160 1.00 0.00 C ATOM 942 O HIS A 58 15.995 -10.054 15.346 1.00 0.00 O ATOM 943 CB HIS A 58 19.147 -10.615 15.418 1.00 0.00 C ATOM 944 CG HIS A 58 18.451 -11.711 16.180 1.00 0.00 C ATOM 945 ND1 HIS A 58 18.080 -12.932 15.660 1.00 0.00 N ATOM 946 CD2 HIS A 58 17.878 -11.639 17.409 1.00 0.00 C ATOM 947 CE1 HIS A 58 17.319 -13.542 16.604 1.00 0.00 C ATOM 948 NE2 HIS A 58 17.168 -12.791 17.677 1.00 0.00 N ATOM 0 H HIS A 58 19.800 -8.539 14.238 1.00 0.00 H new ATOM 0 HA HIS A 58 17.861 -10.535 13.669 1.00 0.00 H new ATOM 0 HB2 HIS A 58 19.977 -11.045 14.858 1.00 0.00 H new ATOM 0 HB3 HIS A 58 19.575 -9.907 16.128 1.00 0.00 H new ATOM 0 HD2 HIS A 58 17.966 -10.799 18.082 1.00 0.00 H new ATOM 0 HE1 HIS A 58 16.888 -14.526 16.490 1.00 0.00 H new ATOM 0 HE2 HIS A 58 16.641 -13.013 18.521 1.00 0.00 H new ATOM 956 N ASP A 59 16.960 -8.044 15.577 1.00 0.00 N ATOM 957 CA ASP A 59 15.892 -7.322 16.246 1.00 0.00 C ATOM 958 C ASP A 59 14.945 -6.702 15.240 1.00 0.00 C ATOM 959 O ASP A 59 14.075 -5.931 15.611 1.00 0.00 O ATOM 960 CB ASP A 59 16.458 -6.200 17.162 1.00 0.00 C ATOM 961 CG ASP A 59 17.331 -6.823 18.254 1.00 0.00 C ATOM 962 OD1 ASP A 59 16.782 -7.599 19.081 1.00 0.00 O ATOM 963 OD2 ASP A 59 18.556 -6.528 18.276 1.00 0.00 O ATOM 0 H ASP A 59 17.775 -7.448 15.434 1.00 0.00 H new ATOM 0 HA ASP A 59 15.351 -8.045 16.857 1.00 0.00 H new ATOM 0 HB2 ASP A 59 17.044 -5.495 16.572 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.641 -5.637 17.612 1.00 0.00 H new ATOM 968 N ARG A 60 15.085 -6.988 13.909 1.00 0.00 N ATOM 969 CA ARG A 60 14.334 -6.464 12.752 1.00 0.00 C ATOM 970 C ARG A 60 12.837 -6.430 12.885 1.00 0.00 C ATOM 971 O ARG A 60 12.188 -5.450 12.583 1.00 0.00 O ATOM 972 CB ARG A 60 14.732 -7.101 11.391 1.00 0.00 C ATOM 973 CG ARG A 60 14.221 -8.514 11.046 1.00 0.00 C ATOM 974 CD ARG A 60 14.553 -9.533 12.140 1.00 0.00 C ATOM 975 NE ARG A 60 14.389 -10.935 11.618 1.00 0.00 N ATOM 976 CZ ARG A 60 14.114 -12.012 12.419 1.00 0.00 C ATOM 977 NH1 ARG A 60 13.936 -11.864 13.763 1.00 0.00 N ATOM 978 NH2 ARG A 60 14.013 -13.254 11.860 1.00 0.00 N ATOM 0 H ARG A 60 15.795 -7.654 13.605 1.00 0.00 H new ATOM 0 HA ARG A 60 14.658 -5.423 12.756 1.00 0.00 H new ATOM 0 HB2 ARG A 60 14.395 -6.428 10.602 1.00 0.00 H new ATOM 0 HB3 ARG A 60 15.821 -7.125 11.346 1.00 0.00 H new ATOM 0 HG2 ARG A 60 13.142 -8.482 10.897 1.00 0.00 H new ATOM 0 HG3 ARG A 60 14.663 -8.838 10.104 1.00 0.00 H new ATOM 0 HD2 ARG A 60 15.576 -9.384 12.486 1.00 0.00 H new ATOM 0 HD3 ARG A 60 13.900 -9.379 12.999 1.00 0.00 H new ATOM 0 HE ARG A 60 14.488 -11.092 10.615 1.00 0.00 H new ATOM 0 HH11 ARG A 60 14.007 -10.940 14.188 1.00 0.00 H new ATOM 0 HH12 ARG A 60 13.732 -12.678 14.343 1.00 0.00 H new ATOM 0 HH21 ARG A 60 14.142 -13.373 10.855 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.809 -14.063 12.447 1.00 0.00 H new ATOM 992 N LYS A 61 12.272 -7.523 13.415 1.00 0.00 N ATOM 993 CA LYS A 61 10.914 -7.751 13.839 1.00 0.00 C ATOM 994 C LYS A 61 10.438 -7.046 15.094 1.00 0.00 C ATOM 995 O LYS A 61 9.246 -6.873 15.321 1.00 0.00 O ATOM 996 CB LYS A 61 10.319 -9.105 13.402 1.00 0.00 C ATOM 997 CG LYS A 61 9.167 -9.727 14.233 1.00 0.00 C ATOM 998 CD LYS A 61 9.604 -10.318 15.584 1.00 0.00 C ATOM 999 CE LYS A 61 8.519 -11.172 16.257 1.00 0.00 C ATOM 1000 NZ LYS A 61 7.309 -10.369 16.556 1.00 0.00 N ATOM 0 H LYS A 61 12.837 -8.358 13.568 1.00 0.00 H new ATOM 0 HA LYS A 61 10.301 -7.108 13.207 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.961 -8.992 12.379 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.134 -9.829 13.377 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.411 -8.962 14.412 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.693 -10.512 13.643 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.495 -10.928 15.434 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.884 -9.505 16.254 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.253 -12.005 15.606 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.911 -11.600 17.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.595 -10.973 17.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.560 -9.589 17.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 6.923 -9.981 15.672 1.00 0.00 H new ATOM 1014 N LYS A 62 11.333 -6.664 16.027 1.00 0.00 N ATOM 1015 CA LYS A 62 10.998 -6.018 17.300 1.00 0.00 C ATOM 1016 C LYS A 62 10.118 -4.742 17.305 1.00 0.00 C ATOM 1017 O LYS A 62 9.483 -4.459 18.315 1.00 0.00 O ATOM 1018 CB LYS A 62 12.331 -5.862 18.097 1.00 0.00 C ATOM 1019 CG LYS A 62 12.282 -5.174 19.466 1.00 0.00 C ATOM 1020 CD LYS A 62 13.630 -4.559 19.882 1.00 0.00 C ATOM 1021 CE LYS A 62 14.026 -3.359 18.999 1.00 0.00 C ATOM 1022 NZ LYS A 62 15.243 -2.691 19.513 1.00 0.00 N ATOM 0 H LYS A 62 12.336 -6.803 15.907 1.00 0.00 H new ATOM 0 HA LYS A 62 10.287 -6.684 17.789 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.752 -6.857 18.240 1.00 0.00 H new ATOM 0 HB3 LYS A 62 13.030 -5.307 17.471 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.523 -4.391 19.446 1.00 0.00 H new ATOM 0 HG3 LYS A 62 11.972 -5.899 20.219 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.574 -4.238 20.922 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.407 -5.321 19.824 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.199 -3.698 17.977 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.204 -2.644 18.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.484 -1.888 18.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.069 -2.347 20.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.032 -3.368 19.524 1.00 0.00 H new ATOM 1036 N MET A 63 9.971 -3.993 16.180 1.00 0.00 N ATOM 1037 CA MET A 63 8.923 -2.974 16.073 1.00 0.00 C ATOM 1038 C MET A 63 7.921 -3.368 14.980 1.00 0.00 C ATOM 1039 O MET A 63 7.030 -2.590 14.664 1.00 0.00 O ATOM 1040 CB MET A 63 9.372 -1.478 16.041 1.00 0.00 C ATOM 1041 CG MET A 63 9.916 -0.957 17.397 1.00 0.00 C ATOM 1042 SD MET A 63 10.234 0.840 17.462 1.00 0.00 S ATOM 1043 CE MET A 63 11.335 1.068 16.031 1.00 0.00 C ATOM 0 H MET A 63 10.561 -4.082 15.353 1.00 0.00 H new ATOM 0 HA MET A 63 8.413 -2.982 17.036 1.00 0.00 H new ATOM 0 HB2 MET A 63 10.143 -1.356 15.280 1.00 0.00 H new ATOM 0 HB3 MET A 63 8.526 -0.861 15.739 1.00 0.00 H new ATOM 0 HG2 MET A 63 9.202 -1.213 18.180 1.00 0.00 H new ATOM 0 HG3 MET A 63 10.843 -1.483 17.626 1.00 0.00 H new ATOM 0 HE1 MET A 63 11.539 2.130 15.895 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.271 0.538 16.204 1.00 0.00 H new ATOM 0 HE3 MET A 63 10.855 0.673 15.136 1.00 0.00 H new ATOM 1053 N LYS A 64 7.977 -4.615 14.379 1.00 0.00 N ATOM 1054 CA LYS A 64 7.003 -5.156 13.409 1.00 0.00 C ATOM 1055 C LYS A 64 5.700 -5.507 14.131 1.00 0.00 C ATOM 1056 O LYS A 64 4.600 -5.258 13.643 1.00 0.00 O ATOM 1057 CB LYS A 64 7.587 -6.369 12.597 1.00 0.00 C ATOM 1058 CG LYS A 64 6.681 -7.606 12.444 1.00 0.00 C ATOM 1059 CD LYS A 64 7.115 -8.642 11.398 1.00 0.00 C ATOM 1060 CE LYS A 64 6.271 -9.927 11.413 1.00 0.00 C ATOM 1061 NZ LYS A 64 4.859 -9.658 11.058 1.00 0.00 N ATOM 0 H LYS A 64 8.732 -5.272 14.578 1.00 0.00 H new ATOM 0 HA LYS A 64 6.786 -4.387 12.668 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.849 -6.015 11.600 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.513 -6.684 13.077 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.615 -8.104 13.412 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.677 -7.265 12.192 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.057 -8.191 10.407 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.160 -8.902 11.569 1.00 0.00 H new ATOM 0 HE2 LYS A 64 6.692 -10.647 10.711 1.00 0.00 H new ATOM 0 HE3 LYS A 64 6.317 -10.382 12.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.463 -10.481 10.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 4.311 -9.480 11.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.810 -8.824 10.439 1.00 0.00 H new ATOM 1075 N LYS A 65 5.832 -6.054 15.377 1.00 0.00 N ATOM 1076 CA LYS A 65 4.722 -6.391 16.287 1.00 0.00 C ATOM 1077 C LYS A 65 3.901 -5.153 16.773 1.00 0.00 C ATOM 1078 O LYS A 65 2.677 -5.168 16.924 1.00 0.00 O ATOM 1079 CB LYS A 65 5.269 -7.214 17.493 1.00 0.00 C ATOM 1080 CG LYS A 65 4.211 -7.906 18.379 1.00 0.00 C ATOM 1081 CD LYS A 65 3.442 -9.032 17.665 1.00 0.00 C ATOM 1082 CE LYS A 65 2.398 -9.726 18.555 1.00 0.00 C ATOM 1083 NZ LYS A 65 1.326 -8.787 18.962 1.00 0.00 N ATOM 0 H LYS A 65 6.745 -6.274 15.775 1.00 0.00 H new ATOM 0 HA LYS A 65 4.015 -6.993 15.716 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.947 -7.977 17.109 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.861 -6.549 18.122 1.00 0.00 H new ATOM 0 HG2 LYS A 65 4.702 -8.317 19.261 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.499 -7.159 18.730 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.943 -8.620 16.788 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.154 -9.776 17.307 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.962 -10.568 18.018 1.00 0.00 H new ATOM 0 HE3 LYS A 65 2.885 -10.131 19.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.594 -9.304 19.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.728 -8.042 19.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 0.903 -8.355 18.116 1.00 0.00 H new ATOM 1097 N VAL A 66 4.642 -4.015 16.944 1.00 0.00 N ATOM 1098 CA VAL A 66 4.226 -2.657 17.308 1.00 0.00 C ATOM 1099 C VAL A 66 3.560 -1.946 16.138 1.00 0.00 C ATOM 1100 O VAL A 66 2.649 -1.142 16.327 1.00 0.00 O ATOM 1101 CB VAL A 66 5.387 -1.808 17.849 1.00 0.00 C ATOM 1102 CG1 VAL A 66 4.906 -0.406 18.303 1.00 0.00 C ATOM 1103 CG2 VAL A 66 6.022 -2.547 19.048 1.00 0.00 C ATOM 0 H VAL A 66 5.653 -4.051 16.811 1.00 0.00 H new ATOM 0 HA VAL A 66 3.498 -2.770 18.112 1.00 0.00 H new ATOM 0 HB VAL A 66 6.116 -1.667 17.051 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.754 0.165 18.679 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.462 0.118 17.457 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.163 -0.514 19.093 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.848 -1.956 19.443 1.00 0.00 H new ATOM 0 HG22 VAL A 66 5.272 -2.689 19.826 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.394 -3.518 18.721 1.00 0.00 H new ATOM 1113 N TRP A 67 3.984 -2.243 14.875 1.00 0.00 N ATOM 1114 CA TRP A 67 3.479 -1.709 13.607 1.00 0.00 C ATOM 1115 C TRP A 67 1.972 -1.901 13.400 1.00 0.00 C ATOM 1116 O TRP A 67 1.299 -0.973 12.982 1.00 0.00 O ATOM 1117 CB TRP A 67 4.354 -2.182 12.407 1.00 0.00 C ATOM 1118 CG TRP A 67 3.881 -1.801 11.013 1.00 0.00 C ATOM 1119 CD1 TRP A 67 3.349 -2.656 10.102 1.00 0.00 C ATOM 1120 CD2 TRP A 67 3.617 -0.476 10.518 1.00 0.00 C ATOM 1121 NE1 TRP A 67 2.903 -1.969 9.013 1.00 0.00 N ATOM 1122 CE2 TRP A 67 3.029 -0.628 9.262 1.00 0.00 C ATOM 1123 CE3 TRP A 67 3.779 0.759 11.082 1.00 0.00 C ATOM 1124 CZ2 TRP A 67 2.601 0.444 8.545 1.00 0.00 C ATOM 1125 CZ3 TRP A 67 3.217 1.829 10.415 1.00 0.00 C ATOM 1126 CH2 TRP A 67 2.637 1.669 9.164 1.00 0.00 C ATOM 0 H TRP A 67 4.741 -2.910 14.723 1.00 0.00 H new ATOM 0 HA TRP A 67 3.584 -0.625 13.661 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.359 -1.784 12.544 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.432 -3.268 12.453 1.00 0.00 H new ATOM 0 HD1 TRP A 67 3.288 -3.727 10.223 1.00 0.00 H new ATOM 0 HE1 TRP A 67 2.537 -2.384 8.156 1.00 0.00 H new ATOM 0 HE3 TRP A 67 4.321 0.891 12.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 2.247 0.337 7.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.229 2.807 10.874 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.205 2.525 8.668 1.00 0.00 H new ATOM 1137 N ASP A 68 1.402 -3.065 13.826 1.00 0.00 N ATOM 1138 CA ASP A 68 -0.024 -3.433 13.871 1.00 0.00 C ATOM 1139 C ASP A 68 -0.890 -2.419 14.652 1.00 0.00 C ATOM 1140 O ASP A 68 -1.973 -2.027 14.228 1.00 0.00 O ATOM 1141 CB ASP A 68 -0.117 -4.857 14.507 1.00 0.00 C ATOM 1142 CG ASP A 68 -1.501 -5.510 14.392 1.00 0.00 C ATOM 1143 OD1 ASP A 68 -1.964 -5.713 13.238 1.00 0.00 O ATOM 1144 OD2 ASP A 68 -2.105 -5.811 15.456 1.00 0.00 O ATOM 0 H ASP A 68 1.986 -3.826 14.173 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.424 -3.427 12.857 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.618 -5.504 14.029 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.154 -4.790 15.561 1.00 0.00 H new ATOM 1149 N ARG A 69 -0.333 -1.923 15.789 1.00 0.00 N ATOM 1150 CA ARG A 69 -0.806 -0.780 16.566 1.00 0.00 C ATOM 1151 C ARG A 69 -0.440 0.570 15.921 1.00 0.00 C ATOM 1152 O ARG A 69 -1.310 1.400 15.673 1.00 0.00 O ATOM 1153 CB ARG A 69 -0.299 -0.903 18.028 1.00 0.00 C ATOM 1154 CG ARG A 69 -0.633 0.242 19.011 1.00 0.00 C ATOM 1155 CD ARG A 69 -2.108 0.680 19.014 1.00 0.00 C ATOM 1156 NE ARG A 69 -2.339 1.542 20.224 1.00 0.00 N ATOM 1157 CZ ARG A 69 -3.522 2.185 20.468 1.00 0.00 C ATOM 1158 NH1 ARG A 69 -4.544 2.140 19.563 1.00 0.00 N ATOM 1159 NH2 ARG A 69 -3.677 2.879 21.633 1.00 0.00 N ATOM 0 H ARG A 69 0.502 -2.343 16.197 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.896 -0.798 16.577 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.700 -1.827 18.444 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.785 -1.011 17.997 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.360 -0.072 20.018 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.013 1.104 18.766 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -2.343 1.232 18.104 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.763 -0.191 19.037 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.578 1.653 20.894 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.431 1.622 18.692 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.420 2.624 19.759 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -2.916 2.914 22.311 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -4.554 3.362 21.826 1.00 0.00 H new ATOM 1173 N ALA A 70 0.867 0.825 15.599 1.00 0.00 N ATOM 1174 CA ALA A 70 1.427 2.031 14.968 1.00 0.00 C ATOM 1175 C ALA A 70 0.795 2.514 13.646 1.00 0.00 C ATOM 1176 O ALA A 70 0.706 3.717 13.392 1.00 0.00 O ATOM 1177 CB ALA A 70 2.950 1.946 14.877 1.00 0.00 C ATOM 0 H ALA A 70 1.594 0.136 15.793 1.00 0.00 H new ATOM 0 HA ALA A 70 1.135 2.824 15.656 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.337 2.850 14.407 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.370 1.849 15.878 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.231 1.078 14.281 1.00 0.00 H new ATOM 1183 N VAL A 71 0.286 1.528 12.829 1.00 0.00 N ATOM 1184 CA VAL A 71 -0.551 1.572 11.608 1.00 0.00 C ATOM 1185 C VAL A 71 -1.792 2.408 11.804 1.00 0.00 C ATOM 1186 O VAL A 71 -2.112 3.206 10.931 1.00 0.00 O ATOM 1187 CB VAL A 71 -1.033 0.163 11.151 1.00 0.00 C ATOM 1188 CG1 VAL A 71 -2.282 0.088 10.234 1.00 0.00 C ATOM 1189 CG2 VAL A 71 0.079 -0.506 10.345 1.00 0.00 C ATOM 0 H VAL A 71 0.492 0.556 13.059 1.00 0.00 H new ATOM 0 HA VAL A 71 0.099 2.008 10.850 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.298 -0.315 12.094 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.498 -0.954 9.998 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.137 0.529 10.747 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.090 0.636 9.312 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.250 -1.493 10.021 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.313 0.103 9.472 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.969 -0.606 10.966 1.00 0.00 H new ATOM 1199 N ASP A 72 -2.488 2.270 12.982 1.00 0.00 N ATOM 1200 CA ASP A 72 -3.710 2.957 13.428 1.00 0.00 C ATOM 1201 C ASP A 72 -3.617 4.486 13.373 1.00 0.00 C ATOM 1202 O ASP A 72 -4.536 5.164 12.933 1.00 0.00 O ATOM 1203 CB ASP A 72 -4.118 2.451 14.855 1.00 0.00 C ATOM 1204 CG ASP A 72 -5.526 2.868 15.303 1.00 0.00 C ATOM 1205 OD1 ASP A 72 -6.505 2.497 14.602 1.00 0.00 O ATOM 1206 OD2 ASP A 72 -5.633 3.561 16.350 1.00 0.00 O ATOM 0 H ASP A 72 -2.163 1.613 13.692 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.495 2.698 12.718 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.053 1.363 14.873 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.395 2.826 15.579 1.00 0.00 H new ATOM 1211 N PHE A 73 -2.443 5.038 13.767 1.00 0.00 N ATOM 1212 CA PHE A 73 -2.089 6.452 13.701 1.00 0.00 C ATOM 1213 C PHE A 73 -1.861 6.994 12.274 1.00 0.00 C ATOM 1214 O PHE A 73 -2.576 7.910 11.877 1.00 0.00 O ATOM 1215 CB PHE A 73 -0.866 6.749 14.614 1.00 0.00 C ATOM 1216 CG PHE A 73 -0.869 5.960 15.906 1.00 0.00 C ATOM 1217 CD1 PHE A 73 -2.010 5.806 16.672 1.00 0.00 C ATOM 1218 CD2 PHE A 73 0.288 5.331 16.332 1.00 0.00 C ATOM 1219 CE1 PHE A 73 -2.017 4.984 17.780 1.00 0.00 C ATOM 1220 CE2 PHE A 73 0.302 4.538 17.462 1.00 0.00 C ATOM 1221 CZ PHE A 73 -0.865 4.336 18.165 1.00 0.00 C ATOM 0 H PHE A 73 -1.690 4.470 14.156 1.00 0.00 H new ATOM 0 HA PHE A 73 -2.962 6.991 14.070 1.00 0.00 H new ATOM 0 HB2 PHE A 73 0.049 6.528 14.065 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.848 7.813 14.848 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.910 6.337 16.399 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.200 5.463 15.768 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.927 4.849 18.346 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.222 4.079 17.793 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.876 3.671 19.016 1.00 0.00 H new ATOM 1231 N LEU A 74 -0.912 6.408 11.459 1.00 0.00 N ATOM 1232 CA LEU A 74 -0.661 6.726 10.016 1.00 0.00 C ATOM 1233 C LEU A 74 -1.831 6.489 9.063 1.00 0.00 C ATOM 1234 O LEU A 74 -2.190 7.366 8.274 1.00 0.00 O ATOM 1235 CB LEU A 74 0.507 5.879 9.411 1.00 0.00 C ATOM 1236 CG LEU A 74 1.898 6.325 9.859 1.00 0.00 C ATOM 1237 CD1 LEU A 74 2.962 5.477 9.155 1.00 0.00 C ATOM 1238 CD2 LEU A 74 2.195 7.789 9.522 1.00 0.00 C ATOM 0 H LEU A 74 -0.287 5.681 11.807 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.442 7.792 10.072 1.00 0.00 H new ATOM 0 HB2 LEU A 74 0.365 4.834 9.688 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.453 5.930 8.324 1.00 0.00 H new ATOM 0 HG LEU A 74 1.922 6.202 10.942 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.953 5.797 9.476 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.819 4.427 9.411 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.872 5.603 8.076 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.197 8.045 9.865 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.133 7.934 8.443 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.467 8.431 10.017 1.00 0.00 H new ATOM 1250 N ALA A 75 -2.472 5.282 9.107 1.00 0.00 N ATOM 1251 CA ALA A 75 -3.598 4.890 8.281 1.00 0.00 C ATOM 1252 C ALA A 75 -4.919 5.664 8.476 1.00 0.00 C ATOM 1253 O ALA A 75 -5.786 5.626 7.604 1.00 0.00 O ATOM 1254 CB ALA A 75 -3.749 3.368 8.435 1.00 0.00 C ATOM 0 H ALA A 75 -2.187 4.545 9.753 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.368 5.172 7.253 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.587 3.022 7.830 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.835 2.876 8.103 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.932 3.125 9.482 1.00 0.00 H new ATOM 1260 N ALA A 76 -5.061 6.478 9.576 1.00 0.00 N ATOM 1261 CA ALA A 76 -6.174 7.389 9.799 1.00 0.00 C ATOM 1262 C ALA A 76 -6.038 8.738 9.057 1.00 0.00 C ATOM 1263 O ALA A 76 -6.858 9.635 9.239 1.00 0.00 O ATOM 1264 CB ALA A 76 -6.328 7.635 11.315 1.00 0.00 C ATOM 0 H ALA A 76 -4.375 6.498 10.331 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.062 6.910 9.387 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.160 8.317 11.490 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.522 6.688 11.819 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.411 8.074 11.707 1.00 0.00 H new ATOM 1270 N ASN A 77 -5.003 8.891 8.179 1.00 0.00 N ATOM 1271 CA ASN A 77 -4.732 10.050 7.333 1.00 0.00 C ATOM 1272 C ASN A 77 -5.050 9.686 5.872 1.00 0.00 C ATOM 1273 O ASN A 77 -6.164 9.906 5.400 1.00 0.00 O ATOM 1274 CB ASN A 77 -3.255 10.511 7.573 1.00 0.00 C ATOM 1275 CG ASN A 77 -2.895 11.859 6.940 1.00 0.00 C ATOM 1276 OD1 ASN A 77 -2.216 11.913 5.913 1.00 0.00 O ATOM 1277 ND2 ASN A 77 -3.347 12.982 7.555 1.00 0.00 N ATOM 0 H ASN A 77 -4.307 8.156 8.050 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.368 10.899 7.583 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -3.077 10.570 8.647 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -2.582 9.749 7.180 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -3.126 13.899 7.168 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.907 12.908 8.404 1.00 0.00 H new ATOM 1284 N GLU A 78 -4.061 9.113 5.141 1.00 0.00 N ATOM 1285 CA GLU A 78 -4.133 8.633 3.771 1.00 0.00 C ATOM 1286 C GLU A 78 -2.811 7.915 3.601 1.00 0.00 C ATOM 1287 O GLU A 78 -1.932 8.090 4.446 1.00 0.00 O ATOM 1288 CB GLU A 78 -4.382 9.731 2.687 1.00 0.00 C ATOM 1289 CG GLU A 78 -3.440 10.960 2.656 1.00 0.00 C ATOM 1290 CD GLU A 78 -2.083 10.663 2.011 1.00 0.00 C ATOM 1291 OE1 GLU A 78 -2.069 10.244 0.823 1.00 0.00 O ATOM 1292 OE2 GLU A 78 -1.044 10.855 2.699 1.00 0.00 O ATOM 0 H GLU A 78 -3.132 8.972 5.538 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.004 7.996 3.615 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -4.333 9.250 1.710 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -5.401 10.097 2.812 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.926 11.768 2.110 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.281 11.314 3.675 1.00 0.00 H new ATOM 1299 N SER A 79 -2.600 7.100 2.541 1.00 0.00 N ATOM 1300 CA SER A 79 -1.344 6.372 2.377 1.00 0.00 C ATOM 1301 C SER A 79 -1.059 6.180 0.894 1.00 0.00 C ATOM 1302 O SER A 79 -1.926 5.748 0.138 1.00 0.00 O ATOM 1303 CB SER A 79 -1.307 5.031 3.195 1.00 0.00 C ATOM 1304 OG SER A 79 -2.459 4.197 3.022 1.00 0.00 O ATOM 0 H SER A 79 -3.282 6.939 1.800 1.00 0.00 H new ATOM 0 HA SER A 79 -0.538 6.970 2.801 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.420 4.468 2.905 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.202 5.269 4.254 1.00 0.00 H new ATOM 0 HG SER A 79 -2.359 3.384 3.561 1.00 0.00 H new ATOM 1310 N ARG A 80 0.194 6.483 0.438 1.00 0.00 N ATOM 1311 CA ARG A 80 0.686 6.445 -0.950 1.00 0.00 C ATOM 1312 C ARG A 80 1.028 5.037 -1.491 1.00 0.00 C ATOM 1313 O ARG A 80 1.914 4.877 -2.327 1.00 0.00 O ATOM 1314 CB ARG A 80 1.943 7.368 -1.077 1.00 0.00 C ATOM 1315 CG ARG A 80 1.718 8.812 -0.575 1.00 0.00 C ATOM 1316 CD ARG A 80 2.993 9.675 -0.518 1.00 0.00 C ATOM 1317 NE ARG A 80 3.510 9.915 -1.913 1.00 0.00 N ATOM 1318 CZ ARG A 80 4.326 10.964 -2.246 1.00 0.00 C ATOM 1319 NH1 ARG A 80 4.704 11.886 -1.313 1.00 0.00 N ATOM 1320 NH2 ARG A 80 4.768 11.093 -3.531 1.00 0.00 N ATOM 0 H ARG A 80 0.926 6.778 1.084 1.00 0.00 H new ATOM 0 HA ARG A 80 -0.143 6.799 -1.564 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.765 6.924 -0.516 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.252 7.402 -2.122 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.993 9.300 -1.226 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.277 8.772 0.421 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.778 10.626 -0.031 1.00 0.00 H new ATOM 0 HD3 ARG A 80 3.755 9.176 0.081 1.00 0.00 H new ATOM 0 HE ARG A 80 3.238 9.262 -2.648 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.378 11.800 -0.350 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.312 12.661 -1.579 1.00 0.00 H new ATOM 0 HH21 ARG A 80 4.491 10.411 -4.237 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.376 11.872 -3.786 1.00 0.00 H new ATOM 1334 N VAL A 81 0.309 3.985 -1.000 1.00 0.00 N ATOM 1335 CA VAL A 81 0.437 2.573 -1.323 1.00 0.00 C ATOM 1336 C VAL A 81 -0.946 2.021 -0.942 1.00 0.00 C ATOM 1337 O VAL A 81 -1.478 2.409 0.096 1.00 0.00 O ATOM 1338 CB VAL A 81 1.668 1.977 -0.605 1.00 0.00 C ATOM 1339 CG1 VAL A 81 1.363 0.746 0.267 1.00 0.00 C ATOM 1340 CG2 VAL A 81 2.765 1.667 -1.647 1.00 0.00 C ATOM 0 H VAL A 81 -0.429 4.140 -0.314 1.00 0.00 H new ATOM 0 HA VAL A 81 0.649 2.322 -2.362 1.00 0.00 H new ATOM 0 HB VAL A 81 2.018 2.732 0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.283 0.393 0.733 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.645 1.017 1.041 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.945 -0.046 -0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.636 1.246 -1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.384 0.950 -2.374 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.051 2.586 -2.159 1.00 0.00 H new ATOM 1350 N ARG A 82 -1.609 1.173 -1.781 1.00 0.00 N ATOM 1351 CA ARG A 82 -2.995 0.714 -1.590 1.00 0.00 C ATOM 1352 C ARG A 82 -3.102 -0.749 -1.156 1.00 0.00 C ATOM 1353 O ARG A 82 -2.407 -1.598 -1.709 1.00 0.00 O ATOM 1354 CB ARG A 82 -3.772 0.966 -2.918 1.00 0.00 C ATOM 1355 CG ARG A 82 -5.291 0.684 -2.892 1.00 0.00 C ATOM 1356 CD ARG A 82 -5.683 -0.654 -3.545 1.00 0.00 C ATOM 1357 NE ARG A 82 -7.160 -0.866 -3.350 1.00 0.00 N ATOM 1358 CZ ARG A 82 -7.835 -1.939 -3.870 1.00 0.00 C ATOM 1359 NH1 ARG A 82 -7.200 -2.846 -4.666 1.00 0.00 N ATOM 1360 NH2 ARG A 82 -9.159 -2.103 -3.583 1.00 0.00 N ATOM 0 H ARG A 82 -1.176 0.789 -2.621 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.434 1.282 -0.770 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -3.623 2.006 -3.208 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.324 0.350 -3.698 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -5.635 0.688 -1.858 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -5.811 1.494 -3.404 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.439 -0.643 -4.607 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.120 -1.473 -3.097 1.00 0.00 H new ATOM 0 HE ARG A 82 -7.683 -0.180 -2.806 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.210 -2.730 -4.881 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.715 -3.640 -5.046 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -9.639 -1.430 -2.986 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.669 -2.899 -3.966 1.00 0.00 H new ATOM 1374 N THR A 83 -3.983 -1.057 -0.153 1.00 0.00 N ATOM 1375 CA THR A 83 -4.217 -2.370 0.468 1.00 0.00 C ATOM 1376 C THR A 83 -5.342 -3.169 -0.189 1.00 0.00 C ATOM 1377 O THR A 83 -6.486 -2.720 -0.270 1.00 0.00 O ATOM 1378 CB THR A 83 -4.568 -2.256 1.966 1.00 0.00 C ATOM 1379 OG1 THR A 83 -3.836 -1.216 2.600 1.00 0.00 O ATOM 1380 CG2 THR A 83 -4.233 -3.569 2.698 1.00 0.00 C ATOM 0 H THR A 83 -4.578 -0.338 0.258 1.00 0.00 H new ATOM 0 HA THR A 83 -3.270 -2.892 0.328 1.00 0.00 H new ATOM 0 HB THR A 83 -5.635 -2.040 2.021 1.00 0.00 H new ATOM 0 HG1 THR A 83 -2.879 -1.340 2.432 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.487 -3.472 3.754 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.807 -4.386 2.261 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.168 -3.780 2.598 1.00 0.00 H new ATOM 1388 N GLU A 84 -5.057 -4.405 -0.646 1.00 0.00 N ATOM 1389 CA GLU A 84 -6.024 -5.264 -1.299 1.00 0.00 C ATOM 1390 C GLU A 84 -6.051 -6.587 -0.565 1.00 0.00 C ATOM 1391 O GLU A 84 -5.028 -7.004 -0.022 1.00 0.00 O ATOM 1392 CB GLU A 84 -5.570 -5.460 -2.777 1.00 0.00 C ATOM 1393 CG GLU A 84 -6.518 -6.282 -3.675 1.00 0.00 C ATOM 1394 CD GLU A 84 -5.949 -6.337 -5.093 1.00 0.00 C ATOM 1395 OE1 GLU A 84 -4.834 -6.900 -5.262 1.00 0.00 O ATOM 1396 OE2 GLU A 84 -6.626 -5.829 -6.026 1.00 0.00 O ATOM 0 H GLU A 84 -4.132 -4.826 -0.563 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.024 -4.831 -1.286 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.437 -4.477 -3.228 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.594 -5.945 -2.775 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.631 -7.290 -3.277 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.510 -5.830 -3.686 1.00 0.00 H new ATOM 1403 N THR A 85 -7.211 -7.304 -0.585 1.00 0.00 N ATOM 1404 CA THR A 85 -7.396 -8.672 -0.123 1.00 0.00 C ATOM 1405 C THR A 85 -7.113 -9.543 -1.353 1.00 0.00 C ATOM 1406 O THR A 85 -7.856 -9.547 -2.336 1.00 0.00 O ATOM 1407 CB THR A 85 -8.841 -8.878 0.351 1.00 0.00 C ATOM 1408 OG1 THR A 85 -9.754 -8.016 -0.338 1.00 0.00 O ATOM 1409 CG2 THR A 85 -8.872 -8.505 1.839 1.00 0.00 C ATOM 0 H THR A 85 -8.076 -6.903 -0.947 1.00 0.00 H new ATOM 0 HA THR A 85 -6.744 -8.918 0.716 1.00 0.00 H new ATOM 0 HB THR A 85 -9.140 -9.909 0.162 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.664 -8.176 -0.012 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.883 -8.635 2.226 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.187 -9.149 2.390 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.568 -7.465 1.960 1.00 0.00 H new ATOM 1417 N ARG A 86 -5.989 -10.293 -1.354 1.00 0.00 N ATOM 1418 CA ARG A 86 -5.563 -11.015 -2.549 1.00 0.00 C ATOM 1419 C ARG A 86 -5.037 -12.363 -2.121 1.00 0.00 C ATOM 1420 O ARG A 86 -4.379 -12.474 -1.088 1.00 0.00 O ATOM 1421 CB ARG A 86 -4.494 -10.194 -3.326 1.00 0.00 C ATOM 1422 CG ARG A 86 -3.976 -10.813 -4.646 1.00 0.00 C ATOM 1423 CD ARG A 86 -5.052 -10.978 -5.730 1.00 0.00 C ATOM 1424 NE ARG A 86 -4.394 -11.570 -6.946 1.00 0.00 N ATOM 1425 CZ ARG A 86 -5.037 -11.740 -8.143 1.00 0.00 C ATOM 1426 NH1 ARG A 86 -6.342 -11.372 -8.297 1.00 0.00 N ATOM 1427 NH2 ARG A 86 -4.359 -12.284 -9.197 1.00 0.00 N ATOM 0 H ARG A 86 -5.375 -10.407 -0.547 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.402 -11.161 -3.229 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.913 -9.213 -3.550 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.641 -10.033 -2.667 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.175 -10.187 -5.038 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.541 -11.789 -4.430 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.854 -11.626 -5.376 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.503 -10.015 -5.970 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.419 -11.860 -6.875 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.853 -10.964 -7.514 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -6.807 -11.505 -9.195 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.383 -12.559 -9.088 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.829 -12.415 -10.093 1.00 0.00 H new ATOM 1441 N ARG A 87 -5.327 -13.436 -2.907 1.00 0.00 N ATOM 1442 CA ARG A 87 -4.985 -14.821 -2.614 1.00 0.00 C ATOM 1443 C ARG A 87 -3.643 -15.252 -3.200 1.00 0.00 C ATOM 1444 O ARG A 87 -3.459 -15.232 -4.415 1.00 0.00 O ATOM 1445 CB ARG A 87 -6.121 -15.758 -3.085 1.00 0.00 C ATOM 1446 CG ARG A 87 -6.037 -17.206 -2.553 1.00 0.00 C ATOM 1447 CD ARG A 87 -7.162 -18.118 -3.072 1.00 0.00 C ATOM 1448 NE ARG A 87 -8.477 -17.576 -2.583 1.00 0.00 N ATOM 1449 CZ ARG A 87 -9.687 -18.145 -2.878 1.00 0.00 C ATOM 1450 NH1 ARG A 87 -9.765 -19.262 -3.658 1.00 0.00 N ATOM 1451 NH2 ARG A 87 -10.828 -17.583 -2.382 1.00 0.00 N ATOM 0 H ARG A 87 -5.825 -13.336 -3.792 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.875 -14.897 -1.532 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.075 -15.329 -2.779 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -6.119 -15.787 -4.175 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -5.075 -17.633 -2.836 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.070 -17.187 -1.464 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.148 -18.154 -4.161 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -7.017 -19.138 -2.717 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.467 -16.739 -2.000 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.914 -19.685 -4.030 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -10.674 -19.674 -3.869 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.773 -16.748 -1.798 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.735 -17.998 -2.595 1.00 0.00 H new ATOM 1465 N ILE A 88 -2.665 -15.648 -2.345 1.00 0.00 N ATOM 1466 CA ILE A 88 -1.321 -16.065 -2.752 1.00 0.00 C ATOM 1467 C ILE A 88 -0.968 -17.317 -1.975 1.00 0.00 C ATOM 1468 O ILE A 88 -1.074 -17.347 -0.752 1.00 0.00 O ATOM 1469 CB ILE A 88 -0.238 -14.980 -2.610 1.00 0.00 C ATOM 1470 CG1 ILE A 88 -0.356 -14.100 -1.330 1.00 0.00 C ATOM 1471 CG2 ILE A 88 -0.272 -14.152 -3.911 1.00 0.00 C ATOM 1472 CD1 ILE A 88 -1.054 -12.743 -1.532 1.00 0.00 C ATOM 0 H ILE A 88 -2.804 -15.683 -1.335 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.344 -16.263 -3.824 1.00 0.00 H new ATOM 0 HB ILE A 88 0.731 -15.460 -2.472 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.901 -14.662 -0.571 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.645 -13.921 -0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 88 0.481 -13.365 -3.861 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -0.063 -14.801 -4.761 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -1.258 -13.704 -4.031 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.087 -12.206 -0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.501 -12.155 -2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.070 -12.906 -1.891 1.00 0.00 H new ATOM 1484 N GLY A 89 -0.605 -18.431 -2.693 1.00 0.00 N ATOM 1485 CA GLY A 89 -0.309 -19.777 -2.102 1.00 0.00 C ATOM 1486 C GLY A 89 -1.529 -20.475 -1.535 1.00 0.00 C ATOM 1487 O GLY A 89 -1.432 -21.339 -0.673 1.00 0.00 O ATOM 0 H GLY A 89 -0.510 -18.416 -3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.138 -20.410 -2.869 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.433 -19.662 -1.312 1.00 0.00 H new ATOM 1491 N GLY A 90 -2.726 -20.041 -2.003 1.00 0.00 N ATOM 1492 CA GLY A 90 -4.047 -20.458 -1.498 1.00 0.00 C ATOM 1493 C GLY A 90 -4.551 -19.685 -0.286 1.00 0.00 C ATOM 1494 O GLY A 90 -5.495 -20.132 0.358 1.00 0.00 O ATOM 0 H GLY A 90 -2.794 -19.369 -2.767 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -4.775 -20.355 -2.303 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -4.003 -21.516 -1.241 1.00 0.00 H new ATOM 1498 N ALA A 91 -3.957 -18.515 0.085 1.00 0.00 N ATOM 1499 CA ALA A 91 -4.351 -17.771 1.272 1.00 0.00 C ATOM 1500 C ALA A 91 -4.455 -16.284 0.943 1.00 0.00 C ATOM 1501 O ALA A 91 -3.591 -15.719 0.276 1.00 0.00 O ATOM 1502 CB ALA A 91 -3.333 -18.010 2.403 1.00 0.00 C ATOM 0 H ALA A 91 -3.198 -18.081 -0.441 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.328 -18.119 1.608 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.634 -17.450 3.288 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.297 -19.073 2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.347 -17.676 2.081 1.00 0.00 H new ATOM 1508 N ASP A 92 -5.551 -15.620 1.398 1.00 0.00 N ATOM 1509 CA ASP A 92 -5.941 -14.243 1.209 1.00 0.00 C ATOM 1510 C ASP A 92 -5.451 -13.340 2.350 1.00 0.00 C ATOM 1511 O ASP A 92 -5.873 -13.485 3.495 1.00 0.00 O ATOM 1512 CB ASP A 92 -7.493 -14.129 1.111 1.00 0.00 C ATOM 1513 CG ASP A 92 -8.137 -15.099 0.104 1.00 0.00 C ATOM 1514 OD1 ASP A 92 -8.179 -16.327 0.383 1.00 0.00 O ATOM 1515 OD2 ASP A 92 -8.637 -14.603 -0.940 1.00 0.00 O ATOM 0 H ASP A 92 -6.241 -16.112 1.965 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.477 -13.908 0.281 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.922 -14.309 2.097 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -7.754 -13.108 0.832 1.00 0.00 H new ATOM 1520 N PHE A 93 -4.540 -12.380 2.071 1.00 0.00 N ATOM 1521 CA PHE A 93 -3.970 -11.475 3.065 1.00 0.00 C ATOM 1522 C PHE A 93 -4.261 -10.062 2.612 1.00 0.00 C ATOM 1523 O PHE A 93 -4.748 -9.842 1.502 1.00 0.00 O ATOM 1524 CB PHE A 93 -2.414 -11.616 3.199 1.00 0.00 C ATOM 1525 CG PHE A 93 -2.007 -13.050 3.419 1.00 0.00 C ATOM 1526 CD1 PHE A 93 -2.089 -13.635 4.670 1.00 0.00 C ATOM 1527 CD2 PHE A 93 -1.525 -13.806 2.365 1.00 0.00 C ATOM 1528 CE1 PHE A 93 -1.699 -14.949 4.861 1.00 0.00 C ATOM 1529 CE2 PHE A 93 -1.142 -15.116 2.545 1.00 0.00 C ATOM 1530 CZ PHE A 93 -1.226 -15.691 3.795 1.00 0.00 C ATOM 0 H PHE A 93 -4.182 -12.219 1.130 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.412 -11.718 4.031 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.934 -11.235 2.298 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.062 -11.005 4.030 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -2.461 -13.061 5.506 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -1.448 -13.361 1.384 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.764 -15.395 5.843 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.776 -15.692 1.708 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.923 -16.717 3.941 1.00 0.00 H new ATOM 1540 N LEU A 94 -3.876 -9.049 3.448 1.00 0.00 N ATOM 1541 CA LEU A 94 -3.931 -7.645 3.076 1.00 0.00 C ATOM 1542 C LEU A 94 -2.524 -7.357 2.557 1.00 0.00 C ATOM 1543 O LEU A 94 -1.542 -7.358 3.290 1.00 0.00 O ATOM 1544 CB LEU A 94 -4.338 -6.773 4.291 1.00 0.00 C ATOM 1545 CG LEU A 94 -5.847 -6.426 4.290 1.00 0.00 C ATOM 1546 CD1 LEU A 94 -6.676 -7.679 4.605 1.00 0.00 C ATOM 1547 CD2 LEU A 94 -6.198 -5.361 5.351 1.00 0.00 C ATOM 0 H LEU A 94 -3.523 -9.209 4.392 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.682 -7.413 2.321 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.090 -7.300 5.212 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.756 -5.851 4.284 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.077 -6.037 3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.736 -7.424 4.602 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.484 -8.442 3.850 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.398 -8.062 5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.267 -5.149 5.314 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.936 -5.734 6.341 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.640 -4.447 5.148 1.00 0.00 H new ATOM 1559 N VAL A 95 -2.422 -7.160 1.232 1.00 0.00 N ATOM 1560 CA VAL A 95 -1.173 -7.036 0.506 1.00 0.00 C ATOM 1561 C VAL A 95 -1.195 -5.612 0.001 1.00 0.00 C ATOM 1562 O VAL A 95 -2.255 -5.088 -0.359 1.00 0.00 O ATOM 1563 CB VAL A 95 -1.128 -8.128 -0.579 1.00 0.00 C ATOM 1564 CG1 VAL A 95 -2.095 -7.881 -1.768 1.00 0.00 C ATOM 1565 CG2 VAL A 95 0.296 -8.352 -1.115 1.00 0.00 C ATOM 0 H VAL A 95 -3.241 -7.082 0.628 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.263 -7.195 1.084 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.469 -9.028 -0.068 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.002 -8.695 -2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.120 -7.837 -1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.843 -6.938 -2.252 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.279 -9.131 -1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.671 -7.426 -1.550 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.948 -8.659 -0.297 1.00 0.00 H new ATOM 1575 N TRP A 96 -0.028 -4.943 -0.043 1.00 0.00 N ATOM 1576 CA TRP A 96 0.002 -3.553 -0.544 1.00 0.00 C ATOM 1577 C TRP A 96 0.553 -3.570 -1.983 1.00 0.00 C ATOM 1578 O TRP A 96 1.373 -4.416 -2.339 1.00 0.00 O ATOM 1579 CB TRP A 96 0.982 -2.792 0.384 1.00 0.00 C ATOM 1580 CG TRP A 96 0.403 -2.192 1.660 1.00 0.00 C ATOM 1581 CD1 TRP A 96 -0.762 -1.517 1.868 1.00 0.00 C ATOM 1582 CD2 TRP A 96 1.123 -2.129 2.900 1.00 0.00 C ATOM 1583 NE1 TRP A 96 -0.800 -0.999 3.144 1.00 0.00 N ATOM 1584 CE2 TRP A 96 0.358 -1.368 3.788 1.00 0.00 C ATOM 1585 CE3 TRP A 96 2.321 -2.658 3.264 1.00 0.00 C ATOM 1586 CZ2 TRP A 96 0.801 -1.105 5.050 1.00 0.00 C ATOM 1587 CZ3 TRP A 96 2.727 -2.448 4.554 1.00 0.00 C ATOM 1588 CH2 TRP A 96 2.010 -1.654 5.423 1.00 0.00 C ATOM 0 H TRP A 96 0.873 -5.321 0.249 1.00 0.00 H new ATOM 0 HA TRP A 96 -0.983 -3.085 -0.548 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.783 -3.476 0.665 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.438 -1.987 -0.192 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -1.547 -1.404 1.135 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -1.555 -0.440 3.542 1.00 0.00 H new ATOM 0 HE3 TRP A 96 2.925 -3.219 2.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 0.229 -0.492 5.730 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 3.635 -2.918 4.901 1.00 0.00 H new ATOM 0 HH2 TRP A 96 2.401 -1.459 6.411 1.00 0.00 H new ATOM 1599 N ARG A 97 0.168 -2.626 -2.879 1.00 0.00 N ATOM 1600 CA ARG A 97 0.734 -2.550 -4.225 1.00 0.00 C ATOM 1601 C ARG A 97 0.470 -1.139 -4.669 1.00 0.00 C ATOM 1602 O ARG A 97 -0.486 -0.537 -4.176 1.00 0.00 O ATOM 1603 CB ARG A 97 0.069 -3.556 -5.211 1.00 0.00 C ATOM 1604 CG ARG A 97 -1.416 -3.276 -5.521 1.00 0.00 C ATOM 1605 CD ARG A 97 -2.114 -4.425 -6.259 1.00 0.00 C ATOM 1606 NE ARG A 97 -3.570 -4.085 -6.451 1.00 0.00 N ATOM 1607 CZ ARG A 97 -4.051 -3.324 -7.484 1.00 0.00 C ATOM 1608 NH1 ARG A 97 -3.217 -2.823 -8.441 1.00 0.00 N ATOM 1609 NH2 ARG A 97 -5.389 -3.063 -7.556 1.00 0.00 N ATOM 0 H ARG A 97 -0.533 -1.912 -2.681 1.00 0.00 H new ATOM 0 HA ARG A 97 1.793 -2.808 -4.217 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.628 -3.549 -6.147 1.00 0.00 H new ATOM 0 HB3 ARG A 97 0.155 -4.560 -4.796 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -1.943 -3.081 -4.587 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.489 -2.370 -6.123 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -1.638 -4.594 -7.225 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.017 -5.350 -5.690 1.00 0.00 H new ATOM 0 HE ARG A 97 -4.239 -4.444 -5.770 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -2.216 -3.013 -8.395 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -3.595 -2.259 -9.202 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -6.020 -3.433 -6.845 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -5.758 -2.498 -8.321 1.00 0.00 H new ATOM 1623 N TRP A 98 1.278 -0.517 -5.573 1.00 0.00 N ATOM 1624 CA TRP A 98 1.033 0.870 -6.036 1.00 0.00 C ATOM 1625 C TRP A 98 0.846 1.312 -7.482 1.00 0.00 C ATOM 1626 O TRP A 98 1.425 0.776 -8.424 1.00 0.00 O ATOM 1627 CB TRP A 98 1.275 2.009 -4.995 1.00 0.00 C ATOM 1628 CG TRP A 98 2.500 2.868 -5.119 1.00 0.00 C ATOM 1629 CD1 TRP A 98 2.568 4.228 -5.242 1.00 0.00 C ATOM 1630 CD2 TRP A 98 3.800 2.463 -4.669 1.00 0.00 C ATOM 1631 NE1 TRP A 98 3.864 4.592 -5.268 1.00 0.00 N ATOM 1632 CE2 TRP A 98 4.553 3.621 -4.603 1.00 0.00 C ATOM 1633 CE3 TRP A 98 4.271 1.274 -4.199 1.00 0.00 C ATOM 1634 CZ2 TRP A 98 5.741 3.655 -3.952 1.00 0.00 C ATOM 1635 CZ3 TRP A 98 5.427 1.336 -3.448 1.00 0.00 C ATOM 1636 CH2 TRP A 98 6.093 2.521 -3.257 1.00 0.00 C ATOM 0 H TRP A 98 2.099 -0.955 -5.991 1.00 0.00 H new ATOM 0 HA TRP A 98 0.039 0.448 -6.185 1.00 0.00 H new ATOM 0 HB2 TRP A 98 0.408 2.669 -5.023 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.295 1.551 -4.006 1.00 0.00 H new ATOM 0 HD1 TRP A 98 1.724 4.898 -5.307 1.00 0.00 H new ATOM 0 HE1 TRP A 98 4.254 5.430 -5.700 1.00 0.00 H new ATOM 0 HE3 TRP A 98 3.770 0.339 -4.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 6.378 4.527 -3.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 5.816 0.433 -3.001 1.00 0.00 H new ATOM 0 HH2 TRP A 98 6.907 2.564 -2.549 1.00 0.00 H new ATOM 1647 N ILE A 99 -0.015 2.357 -7.620 1.00 0.00 N ATOM 1648 CA ILE A 99 -0.416 3.163 -8.746 1.00 0.00 C ATOM 1649 C ILE A 99 0.613 4.292 -8.910 1.00 0.00 C ATOM 1650 O ILE A 99 0.726 5.181 -8.070 1.00 0.00 O ATOM 1651 CB ILE A 99 -1.828 3.697 -8.448 1.00 0.00 C ATOM 1652 CG1 ILE A 99 -2.023 4.297 -7.006 1.00 0.00 C ATOM 1653 CG2 ILE A 99 -2.802 2.532 -8.728 1.00 0.00 C ATOM 1654 CD1 ILE A 99 -2.946 3.525 -6.041 1.00 0.00 C ATOM 0 H ILE A 99 -0.509 2.682 -6.789 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.449 2.601 -9.679 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.022 4.555 -9.092 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -1.041 4.382 -6.540 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.414 5.309 -7.111 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -3.824 2.857 -8.532 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -2.712 2.225 -9.770 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.558 1.690 -8.080 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -2.991 4.047 -5.085 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.947 3.462 -6.468 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -2.553 2.520 -5.887 1.00 0.00 H new ATOM 1666 N GLN A 100 1.444 4.246 -9.982 1.00 0.00 N ATOM 1667 CA GLN A 100 2.557 5.177 -10.194 1.00 0.00 C ATOM 1668 C GLN A 100 2.271 6.100 -11.400 1.00 0.00 C ATOM 1669 O GLN A 100 2.233 5.548 -12.498 1.00 0.00 O ATOM 1670 CB GLN A 100 3.877 4.382 -10.474 1.00 0.00 C ATOM 1671 CG GLN A 100 3.975 2.949 -9.864 1.00 0.00 C ATOM 1672 CD GLN A 100 4.155 2.741 -8.363 1.00 0.00 C ATOM 1673 OE1 GLN A 100 4.065 1.447 -7.948 1.00 0.00 O flip ATOM 1674 NE2 GLN A 100 4.444 3.650 -7.600 1.00 0.00 N flip ATOM 0 H GLN A 100 1.351 3.552 -10.724 1.00 0.00 H new ATOM 0 HA GLN A 100 2.669 5.780 -9.293 1.00 0.00 H new ATOM 0 HB2 GLN A 100 4.003 4.302 -11.554 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.714 4.970 -10.098 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.068 2.417 -10.153 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.809 2.449 -10.357 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.502 4.608 -7.946 1.00 0.00 H new ATOM 0 HE22 GLN A 100 4.627 3.451 -6.616 1.00 0.00 H new