USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=17 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 31 HIS :FLIP no HE2:sc= -0.0555 F(o=-7.4,f=-2.1) USER MOD Set 1.2: A 45 MET CE :methyl -170:sc= -1.14 (180deg=-0.823) USER MOD Set 1.3: A 49 HIS : no HD1:sc= -0.931 K(o=-2.1,f=-9!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 150:sc= -0.863 (180deg=-2.71!) USER MOD Single : A 23 LYS NZ :NH3+ -116:sc= 0 (180deg=-0.522) USER MOD Single : A 30 SER OG : rot 86:sc= 1.11 USER MOD Single : A 32 ASN : amide:sc= 1.34 K(o=1.3,f=-1.9!) USER MOD Single : A 35 CYS SG : rot 175:sc= -1.45 USER MOD Single : A 36 GLN : amide:sc= -0.0363 X(o=-0.036,f=0) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0437) USER MOD Single : A 42 GLN :FLIP amide:sc= -0.113 F(o=-3.5!,f=-0.11) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -120:sc= -0.0305 USER MOD Single : A 56 GLN : amide:sc= 0.785 K(o=0.79,f=-0.061) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,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 178:sc= -1.31 (180deg=-1.33) USER MOD Single : A 64 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.404) USER MOD Single : A 65 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0258) USER MOD Single : A 77 ASN : amide:sc=-0.00993 X(o=-0.0099,f=-0.46) USER MOD Single : A 79 SER OG : rot 95:sc= 0.0456 USER MOD Single : A 83 THR OG1 : rot -55:sc= 0.138 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.0335 K(o=-0.033,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 284 N TYR A 18 2.813 8.002 16.532 1.00 0.00 N ATOM 285 CA TYR A 18 3.502 8.941 15.639 1.00 0.00 C ATOM 286 C TYR A 18 5.022 8.916 15.713 1.00 0.00 C ATOM 287 O TYR A 18 5.702 9.394 14.812 1.00 0.00 O ATOM 288 CB TYR A 18 2.991 10.409 15.828 1.00 0.00 C ATOM 289 CG TYR A 18 2.866 10.763 17.296 1.00 0.00 C ATOM 290 CD1 TYR A 18 3.967 11.211 18.011 1.00 0.00 C ATOM 291 CD2 TYR A 18 1.681 10.540 17.982 1.00 0.00 C ATOM 292 CE1 TYR A 18 3.901 11.360 19.382 1.00 0.00 C ATOM 293 CE2 TYR A 18 1.617 10.699 19.347 1.00 0.00 C ATOM 294 CZ TYR A 18 2.736 11.068 20.054 1.00 0.00 C ATOM 295 OH TYR A 18 2.721 11.102 21.460 1.00 0.00 O ATOM 0 HA TYR A 18 3.242 8.581 14.643 1.00 0.00 H new ATOM 0 HB2 TYR A 18 3.679 11.101 15.342 1.00 0.00 H new ATOM 0 HB3 TYR A 18 2.023 10.525 15.340 1.00 0.00 H new ATOM 0 HD1 TYR A 18 4.884 11.445 17.491 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.798 10.238 17.438 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.766 11.707 19.928 1.00 0.00 H new ATOM 0 HE2 TYR A 18 0.684 10.533 19.865 1.00 0.00 H new ATOM 0 HH TYR A 18 1.825 10.873 21.783 1.00 0.00 H new ATOM 305 N ASP A 19 5.586 8.354 16.818 1.00 0.00 N ATOM 306 CA ASP A 19 7.010 8.256 17.143 1.00 0.00 C ATOM 307 C ASP A 19 7.819 7.309 16.265 1.00 0.00 C ATOM 308 O ASP A 19 8.889 7.674 15.801 1.00 0.00 O ATOM 309 CB ASP A 19 7.237 7.876 18.636 1.00 0.00 C ATOM 310 CG ASP A 19 6.643 8.957 19.543 1.00 0.00 C ATOM 311 OD1 ASP A 19 7.120 10.121 19.463 1.00 0.00 O ATOM 312 OD2 ASP A 19 5.714 8.636 20.331 1.00 0.00 O ATOM 0 H ASP A 19 5.006 7.934 17.544 1.00 0.00 H new ATOM 0 HA ASP A 19 7.382 9.260 16.941 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.773 6.913 18.850 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.303 7.767 18.835 1.00 0.00 H new ATOM 317 N MET A 20 7.337 6.059 16.026 1.00 0.00 N ATOM 318 CA MET A 20 7.937 5.032 15.159 1.00 0.00 C ATOM 319 C MET A 20 7.735 5.182 13.659 1.00 0.00 C ATOM 320 O MET A 20 8.531 4.697 12.865 1.00 0.00 O ATOM 321 CB MET A 20 7.784 3.593 15.761 1.00 0.00 C ATOM 322 CG MET A 20 6.610 2.713 15.295 1.00 0.00 C ATOM 323 SD MET A 20 6.777 1.879 13.685 1.00 0.00 S ATOM 324 CE MET A 20 8.481 1.237 13.793 1.00 0.00 C ATOM 0 H MET A 20 6.474 5.733 16.460 1.00 0.00 H new ATOM 0 HA MET A 20 9.007 5.236 15.181 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.706 3.049 15.554 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.710 3.695 16.844 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.439 1.949 16.054 1.00 0.00 H new ATOM 0 HG3 MET A 20 5.715 3.335 15.261 1.00 0.00 H new ATOM 0 HE1 MET A 20 8.562 0.320 13.209 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.175 1.980 13.400 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.725 1.027 14.834 1.00 0.00 H new ATOM 334 N VAL A 21 6.650 5.856 13.206 1.00 0.00 N ATOM 335 CA VAL A 21 6.304 6.068 11.762 1.00 0.00 C ATOM 336 C VAL A 21 7.211 6.979 10.970 1.00 0.00 C ATOM 337 O VAL A 21 7.361 6.782 9.770 1.00 0.00 O ATOM 338 CB VAL A 21 4.839 6.310 11.412 1.00 0.00 C ATOM 339 CG1 VAL A 21 4.052 5.068 11.854 1.00 0.00 C ATOM 340 CG2 VAL A 21 4.273 7.566 12.096 1.00 0.00 C ATOM 0 H VAL A 21 5.972 6.279 13.839 1.00 0.00 H new ATOM 0 HA VAL A 21 6.515 5.054 11.421 1.00 0.00 H new ATOM 0 HB VAL A 21 4.750 6.478 10.339 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.996 5.204 11.620 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.431 4.191 11.328 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.170 4.926 12.928 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.228 7.694 11.815 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.347 7.456 13.178 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.843 8.440 11.781 1.00 0.00 H new ATOM 350 N VAL A 22 7.831 8.020 11.586 1.00 0.00 N ATOM 351 CA VAL A 22 8.741 8.997 10.960 1.00 0.00 C ATOM 352 C VAL A 22 9.932 8.403 10.152 1.00 0.00 C ATOM 353 O VAL A 22 10.270 8.903 9.080 1.00 0.00 O ATOM 354 CB VAL A 22 9.123 10.084 11.981 1.00 0.00 C ATOM 355 CG1 VAL A 22 9.734 9.512 13.270 1.00 0.00 C ATOM 356 CG2 VAL A 22 10.058 11.144 11.373 1.00 0.00 C ATOM 0 H VAL A 22 7.699 8.203 12.581 1.00 0.00 H new ATOM 0 HA VAL A 22 8.181 9.475 10.156 1.00 0.00 H new ATOM 0 HB VAL A 22 8.184 10.567 12.253 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.982 10.328 13.949 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.016 8.847 13.749 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.639 8.955 13.028 1.00 0.00 H new ATOM 0 HG21 VAL A 22 10.301 11.891 12.129 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.974 10.666 11.027 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.561 11.628 10.532 1.00 0.00 H new ATOM 366 N LYS A 23 10.523 7.253 10.592 1.00 0.00 N ATOM 367 CA LYS A 23 11.477 6.427 9.824 1.00 0.00 C ATOM 368 C LYS A 23 10.858 5.588 8.687 1.00 0.00 C ATOM 369 O LYS A 23 11.462 5.346 7.644 1.00 0.00 O ATOM 370 CB LYS A 23 12.237 5.439 10.758 1.00 0.00 C ATOM 371 CG LYS A 23 13.167 6.041 11.834 1.00 0.00 C ATOM 372 CD LYS A 23 12.546 6.934 12.927 1.00 0.00 C ATOM 373 CE LYS A 23 11.324 6.344 13.651 1.00 0.00 C ATOM 374 NZ LYS A 23 11.645 5.061 14.318 1.00 0.00 N ATOM 0 H LYS A 23 10.336 6.873 11.520 1.00 0.00 H new ATOM 0 HA LYS A 23 12.141 7.162 9.370 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.497 4.818 11.263 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.834 4.777 10.131 1.00 0.00 H new ATOM 0 HG2 LYS A 23 13.677 5.216 12.331 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.931 6.626 11.322 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.313 7.156 13.669 1.00 0.00 H new ATOM 0 HD3 LYS A 23 12.255 7.882 12.475 1.00 0.00 H new ATOM 0 HE2 LYS A 23 10.961 7.057 14.391 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.517 6.189 12.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.092 4.295 13.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 12.660 4.859 14.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 11.409 5.127 15.329 1.00 0.00 H new ATOM 388 N ILE A 24 9.601 5.118 8.893 1.00 0.00 N ATOM 389 CA ILE A 24 8.787 4.318 7.973 1.00 0.00 C ATOM 390 C ILE A 24 8.177 5.113 6.837 1.00 0.00 C ATOM 391 O ILE A 24 8.181 4.641 5.705 1.00 0.00 O ATOM 392 CB ILE A 24 7.791 3.401 8.683 1.00 0.00 C ATOM 393 CG1 ILE A 24 8.496 2.041 8.959 1.00 0.00 C ATOM 394 CG2 ILE A 24 6.403 3.273 7.963 1.00 0.00 C ATOM 395 CD1 ILE A 24 7.690 1.309 10.030 1.00 0.00 C ATOM 0 H ILE A 24 9.107 5.306 9.766 1.00 0.00 H new ATOM 0 HA ILE A 24 9.497 3.649 7.487 1.00 0.00 H new ATOM 0 HB ILE A 24 7.511 3.854 9.634 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.549 1.446 8.047 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.520 2.202 9.295 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.758 2.605 8.533 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.937 4.256 7.894 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.549 2.869 6.961 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.160 0.349 10.246 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.660 1.911 10.938 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.674 1.143 9.671 1.00 0.00 H new ATOM 407 N ILE A 25 7.685 6.369 7.071 1.00 0.00 N ATOM 408 CA ILE A 25 7.109 7.283 6.051 1.00 0.00 C ATOM 409 C ILE A 25 8.019 7.541 4.840 1.00 0.00 C ATOM 410 O ILE A 25 7.550 7.692 3.716 1.00 0.00 O ATOM 411 CB ILE A 25 6.412 8.546 6.581 1.00 0.00 C ATOM 412 CG1 ILE A 25 7.354 9.473 7.377 1.00 0.00 C ATOM 413 CG2 ILE A 25 5.174 8.112 7.403 1.00 0.00 C ATOM 414 CD1 ILE A 25 6.596 10.564 8.144 1.00 0.00 C ATOM 0 H ILE A 25 7.682 6.778 8.005 1.00 0.00 H new ATOM 0 HA ILE A 25 6.278 6.692 5.667 1.00 0.00 H new ATOM 0 HB ILE A 25 6.093 9.152 5.733 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.936 8.877 8.080 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.062 9.940 6.693 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.665 8.996 7.788 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.492 7.550 6.765 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.492 7.484 8.236 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.306 11.188 8.687 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.035 11.180 7.441 1.00 0.00 H new ATOM 0 HD13 ILE A 25 5.907 10.100 8.850 1.00 0.00 H new ATOM 426 N ASP A 26 9.368 7.483 5.063 1.00 0.00 N ATOM 427 CA ASP A 26 10.402 7.507 4.034 1.00 0.00 C ATOM 428 C ASP A 26 10.432 6.283 3.095 1.00 0.00 C ATOM 429 O ASP A 26 10.930 6.418 1.982 1.00 0.00 O ATOM 430 CB ASP A 26 11.822 7.675 4.647 1.00 0.00 C ATOM 431 CG ASP A 26 11.872 8.929 5.525 1.00 0.00 C ATOM 432 OD1 ASP A 26 11.612 10.040 4.990 1.00 0.00 O ATOM 433 OD2 ASP A 26 12.175 8.790 6.740 1.00 0.00 O ATOM 0 H ASP A 26 9.756 7.416 6.004 1.00 0.00 H new ATOM 0 HA ASP A 26 10.127 8.371 3.430 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.077 6.796 5.240 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.563 7.749 3.851 1.00 0.00 H new ATOM 438 N VAL A 27 9.873 5.075 3.474 1.00 0.00 N ATOM 439 CA VAL A 27 9.817 3.833 2.682 1.00 0.00 C ATOM 440 C VAL A 27 8.896 3.967 1.469 1.00 0.00 C ATOM 441 O VAL A 27 9.310 3.735 0.337 1.00 0.00 O ATOM 442 CB VAL A 27 9.617 2.510 3.479 1.00 0.00 C ATOM 443 CG1 VAL A 27 10.514 2.491 4.724 1.00 0.00 C ATOM 444 CG2 VAL A 27 8.183 2.168 3.934 1.00 0.00 C ATOM 0 H VAL A 27 9.435 4.961 4.388 1.00 0.00 H new ATOM 0 HA VAL A 27 10.834 3.715 2.307 1.00 0.00 H new ATOM 0 HB VAL A 27 9.884 1.750 2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 27 10.361 1.559 5.269 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.558 2.567 4.421 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.261 3.333 5.368 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.189 1.223 4.477 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.810 2.958 4.586 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.535 2.081 3.062 1.00 0.00 H new ATOM 454 N LEU A 28 7.620 4.437 1.629 1.00 0.00 N ATOM 455 CA LEU A 28 6.688 4.672 0.512 1.00 0.00 C ATOM 456 C LEU A 28 7.040 5.860 -0.403 1.00 0.00 C ATOM 457 O LEU A 28 7.196 5.659 -1.608 1.00 0.00 O ATOM 458 CB LEU A 28 5.192 4.786 0.939 1.00 0.00 C ATOM 459 CG LEU A 28 4.624 3.632 1.809 1.00 0.00 C ATOM 460 CD1 LEU A 28 5.165 2.257 1.407 1.00 0.00 C ATOM 461 CD2 LEU A 28 4.851 3.819 3.318 1.00 0.00 C ATOM 0 H LEU A 28 7.223 4.659 2.542 1.00 0.00 H new ATOM 0 HA LEU A 28 6.819 3.760 -0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.065 5.719 1.487 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.586 4.862 0.036 1.00 0.00 H new ATOM 0 HG LEU A 28 3.553 3.673 1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.731 1.493 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.900 2.051 0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.250 2.248 1.513 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.426 2.972 3.857 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.920 3.879 3.520 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.368 4.739 3.647 1.00 0.00 H new ATOM 473 N ARG A 29 7.292 7.105 0.123 1.00 0.00 N ATOM 474 CA ARG A 29 7.791 8.296 -0.641 1.00 0.00 C ATOM 475 C ARG A 29 9.066 8.084 -1.496 1.00 0.00 C ATOM 476 O ARG A 29 9.273 8.735 -2.515 1.00 0.00 O ATOM 477 CB ARG A 29 8.018 9.498 0.313 1.00 0.00 C ATOM 478 CG ARG A 29 6.727 9.999 0.996 1.00 0.00 C ATOM 479 CD ARG A 29 6.985 10.929 2.193 1.00 0.00 C ATOM 480 NE ARG A 29 7.720 12.153 1.718 1.00 0.00 N ATOM 481 CZ ARG A 29 8.227 13.097 2.571 1.00 0.00 C ATOM 482 NH1 ARG A 29 8.080 12.971 3.922 1.00 0.00 N ATOM 483 NH2 ARG A 29 8.890 14.176 2.059 1.00 0.00 N ATOM 0 H ARG A 29 7.150 7.309 1.112 1.00 0.00 H new ATOM 0 HA ARG A 29 6.994 8.491 -1.358 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.737 9.211 1.080 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.463 10.319 -0.250 1.00 0.00 H new ATOM 0 HG2 ARG A 29 6.118 10.526 0.261 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.147 9.140 1.333 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.041 11.214 2.658 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.570 10.410 2.952 1.00 0.00 H new ATOM 0 HE ARG A 29 7.846 12.286 0.715 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.587 12.166 4.309 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.463 13.682 4.545 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.004 14.273 1.050 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.271 14.885 2.686 1.00 0.00 H new ATOM 497 N SER A 30 9.935 7.133 -1.064 1.00 0.00 N ATOM 498 CA SER A 30 11.226 6.725 -1.676 1.00 0.00 C ATOM 499 C SER A 30 11.018 5.865 -2.899 1.00 0.00 C ATOM 500 O SER A 30 11.593 6.118 -3.951 1.00 0.00 O ATOM 501 CB SER A 30 12.252 5.968 -0.775 1.00 0.00 C ATOM 502 OG SER A 30 12.759 6.805 0.260 1.00 0.00 O ATOM 0 H SER A 30 9.738 6.594 -0.221 1.00 0.00 H new ATOM 0 HA SER A 30 11.662 7.699 -1.899 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.774 5.093 -0.335 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.077 5.606 -1.388 1.00 0.00 H new ATOM 0 HG SER A 30 12.154 6.776 1.030 1.00 0.00 H new ATOM 508 N HIS A 31 10.119 4.834 -2.820 1.00 0.00 N ATOM 509 CA HIS A 31 9.664 4.028 -3.947 1.00 0.00 C ATOM 510 C HIS A 31 8.797 4.837 -4.902 1.00 0.00 C ATOM 511 O HIS A 31 8.903 4.714 -6.114 1.00 0.00 O ATOM 512 CB HIS A 31 8.826 2.832 -3.426 1.00 0.00 C ATOM 513 CG HIS A 31 9.533 2.073 -2.348 1.00 0.00 C ATOM 514 ND1 HIS A 31 10.855 1.983 -2.033 1.00 0.00 N flip ATOM 515 CD2 HIS A 31 8.878 1.281 -1.435 1.00 0.00 C flip ATOM 516 CE1 HIS A 31 11.032 1.151 -0.947 1.00 0.00 C flip ATOM 517 NE2 HIS A 31 9.821 0.753 -0.626 1.00 0.00 N flip ATOM 0 H HIS A 31 9.694 4.552 -1.937 1.00 0.00 H new ATOM 0 HA HIS A 31 10.549 3.681 -4.481 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.872 3.197 -3.045 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.602 2.160 -4.254 1.00 0.00 H new ATOM 0 HD1 HIS A 31 11.607 2.462 -2.529 1.00 0.00 H new ATOM 0 HD2 HIS A 31 7.813 1.113 -1.376 1.00 0.00 H new ATOM 0 HE1 HIS A 31 11.962 0.885 -0.466 1.00 0.00 H new ATOM 525 N ASN A 32 7.940 5.749 -4.357 1.00 0.00 N ATOM 526 CA ASN A 32 7.043 6.625 -5.103 1.00 0.00 C ATOM 527 C ASN A 32 7.704 7.686 -5.976 1.00 0.00 C ATOM 528 O ASN A 32 7.146 8.000 -7.021 1.00 0.00 O ATOM 529 CB ASN A 32 6.002 7.349 -4.194 1.00 0.00 C ATOM 530 CG ASN A 32 4.787 6.473 -3.890 1.00 0.00 C ATOM 531 OD1 ASN A 32 3.762 6.638 -4.563 1.00 0.00 O ATOM 532 ND2 ASN A 32 4.872 5.565 -2.888 1.00 0.00 N ATOM 0 H ASN A 32 7.867 5.884 -3.349 1.00 0.00 H new ATOM 0 HA ASN A 32 6.557 5.911 -5.768 1.00 0.00 H new ATOM 0 HB2 ASN A 32 6.480 7.640 -3.259 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.673 8.266 -4.682 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.068 4.980 -2.660 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.740 5.466 -2.361 1.00 0.00 H new ATOM 539 N GLU A 33 8.889 8.253 -5.609 1.00 0.00 N ATOM 540 CA GLU A 33 9.576 9.289 -6.392 1.00 0.00 C ATOM 541 C GLU A 33 10.178 8.862 -7.722 1.00 0.00 C ATOM 542 O GLU A 33 10.179 9.637 -8.660 1.00 0.00 O ATOM 543 CB GLU A 33 10.538 10.159 -5.534 1.00 0.00 C ATOM 544 CG GLU A 33 11.767 9.449 -4.933 1.00 0.00 C ATOM 545 CD GLU A 33 12.932 9.318 -5.917 1.00 0.00 C ATOM 546 OE1 GLU A 33 13.386 10.370 -6.443 1.00 0.00 O ATOM 547 OE2 GLU A 33 13.388 8.166 -6.147 1.00 0.00 O ATOM 0 H GLU A 33 9.385 7.994 -4.756 1.00 0.00 H new ATOM 0 HA GLU A 33 8.754 9.931 -6.708 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.891 10.985 -6.151 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.964 10.595 -4.716 1.00 0.00 H new ATOM 0 HG2 GLU A 33 12.103 10.000 -4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.474 8.456 -4.593 1.00 0.00 H new ATOM 554 N ALA A 34 10.704 7.628 -7.857 1.00 0.00 N ATOM 555 CA ALA A 34 11.034 6.928 -9.104 1.00 0.00 C ATOM 556 C ALA A 34 9.876 6.350 -9.903 1.00 0.00 C ATOM 557 O ALA A 34 9.923 6.231 -11.131 1.00 0.00 O ATOM 558 CB ALA A 34 12.139 5.895 -8.817 1.00 0.00 C ATOM 0 H ALA A 34 10.922 7.060 -7.039 1.00 0.00 H new ATOM 0 HA ALA A 34 11.394 7.697 -9.788 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.393 5.368 -9.737 1.00 0.00 H new ATOM 0 HB2 ALA A 34 13.023 6.405 -8.435 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.784 5.179 -8.075 1.00 0.00 H new ATOM 564 N CYS A 35 8.797 5.970 -9.173 1.00 0.00 N ATOM 565 CA CYS A 35 7.551 5.326 -9.560 1.00 0.00 C ATOM 566 C CYS A 35 6.715 6.025 -10.610 1.00 0.00 C ATOM 567 O CYS A 35 6.045 5.366 -11.398 1.00 0.00 O ATOM 568 CB CYS A 35 6.832 4.727 -8.354 1.00 0.00 C ATOM 569 SG CYS A 35 5.678 3.404 -8.735 1.00 0.00 S ATOM 0 H CYS A 35 8.799 6.139 -8.167 1.00 0.00 H new ATOM 0 HA CYS A 35 7.832 4.466 -10.168 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.579 4.347 -7.657 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.292 5.522 -7.840 1.00 0.00 H new ATOM 0 HG CYS A 35 5.213 2.902 -7.630 1.00 0.00 H new ATOM 575 N GLN A 36 6.839 7.382 -10.667 1.00 0.00 N ATOM 576 CA GLN A 36 6.358 8.355 -11.667 1.00 0.00 C ATOM 577 C GLN A 36 6.734 8.046 -13.131 1.00 0.00 C ATOM 578 O GLN A 36 6.208 8.610 -14.088 1.00 0.00 O ATOM 579 CB GLN A 36 6.920 9.762 -11.289 1.00 0.00 C ATOM 580 CG GLN A 36 8.435 9.925 -11.000 1.00 0.00 C ATOM 581 CD GLN A 36 9.427 10.041 -12.160 1.00 0.00 C ATOM 582 OE1 GLN A 36 9.496 11.057 -12.856 1.00 0.00 O ATOM 583 NE2 GLN A 36 10.355 9.049 -12.262 1.00 0.00 N ATOM 0 H GLN A 36 7.338 7.867 -9.921 1.00 0.00 H new ATOM 0 HA GLN A 36 5.270 8.306 -11.633 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.667 10.444 -12.101 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.380 10.103 -10.406 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.553 10.815 -10.382 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.743 9.073 -10.394 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.279 8.217 -11.677 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.126 9.138 -12.924 1.00 0.00 H new ATOM 592 N GLU A 37 7.687 7.092 -13.253 1.00 0.00 N ATOM 593 CA GLU A 37 8.266 6.526 -14.459 1.00 0.00 C ATOM 594 C GLU A 37 8.170 5.004 -14.559 1.00 0.00 C ATOM 595 O GLU A 37 7.797 4.477 -15.606 1.00 0.00 O ATOM 596 CB GLU A 37 9.750 6.952 -14.503 1.00 0.00 C ATOM 597 CG GLU A 37 10.613 6.378 -15.633 1.00 0.00 C ATOM 598 CD GLU A 37 11.760 7.341 -15.929 1.00 0.00 C ATOM 599 OE1 GLU A 37 12.497 7.695 -14.970 1.00 0.00 O ATOM 600 OE2 GLU A 37 11.912 7.752 -17.109 1.00 0.00 O ATOM 0 H GLU A 37 8.098 6.670 -12.420 1.00 0.00 H new ATOM 0 HA GLU A 37 7.692 6.905 -15.305 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.787 8.039 -14.569 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.209 6.675 -13.554 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.006 5.403 -15.347 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.009 6.228 -16.528 1.00 0.00 H new ATOM 607 N ASN A 38 8.524 4.242 -13.481 1.00 0.00 N ATOM 608 CA ASN A 38 8.491 2.777 -13.413 1.00 0.00 C ATOM 609 C ASN A 38 7.293 2.425 -12.542 1.00 0.00 C ATOM 610 O ASN A 38 7.365 2.418 -11.316 1.00 0.00 O ATOM 611 CB ASN A 38 9.742 2.143 -12.771 1.00 0.00 C ATOM 612 CG ASN A 38 11.066 2.552 -13.409 1.00 0.00 C ATOM 613 OD1 ASN A 38 11.649 1.815 -14.211 1.00 0.00 O ATOM 614 ND2 ASN A 38 11.607 3.714 -12.951 1.00 0.00 N ATOM 0 H ASN A 38 8.850 4.663 -12.611 1.00 0.00 H new ATOM 0 HA ASN A 38 8.441 2.392 -14.431 1.00 0.00 H new ATOM 0 HB2 ASN A 38 9.766 2.410 -11.715 1.00 0.00 H new ATOM 0 HB3 ASN A 38 9.650 1.058 -12.823 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.530 4.007 -13.270 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.089 4.292 -12.289 1.00 0.00 H new ATOM 621 N LYS A 39 6.171 2.168 -13.238 1.00 0.00 N ATOM 622 CA LYS A 39 4.734 2.109 -12.926 1.00 0.00 C ATOM 623 C LYS A 39 4.221 1.757 -11.523 1.00 0.00 C ATOM 624 O LYS A 39 3.353 2.422 -10.964 1.00 0.00 O ATOM 625 CB LYS A 39 4.060 1.256 -14.055 1.00 0.00 C ATOM 626 CG LYS A 39 4.696 -0.121 -14.382 1.00 0.00 C ATOM 627 CD LYS A 39 4.176 -1.261 -13.496 1.00 0.00 C ATOM 628 CE LYS A 39 3.031 -2.057 -14.135 1.00 0.00 C ATOM 629 NZ LYS A 39 1.767 -1.283 -14.170 1.00 0.00 N ATOM 0 H LYS A 39 6.284 1.956 -14.229 1.00 0.00 H new ATOM 0 HA LYS A 39 4.431 3.156 -12.900 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.020 1.089 -13.776 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.054 1.850 -14.969 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.499 -0.364 -15.426 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.778 -0.049 -14.270 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.999 -1.940 -13.270 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.835 -0.847 -12.547 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.310 -2.342 -15.150 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.875 -2.980 -13.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.000 -1.886 -14.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.531 -0.960 -13.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.882 -0.459 -14.794 1.00 0.00 H new ATOM 643 N ASP A 40 4.784 0.681 -10.961 1.00 0.00 N ATOM 644 CA ASP A 40 4.690 0.196 -9.596 1.00 0.00 C ATOM 645 C ASP A 40 5.986 -0.553 -9.409 1.00 0.00 C ATOM 646 O ASP A 40 6.010 -1.753 -9.639 1.00 0.00 O ATOM 647 CB ASP A 40 3.373 -0.560 -9.206 1.00 0.00 C ATOM 648 CG ASP A 40 2.801 -1.518 -10.261 1.00 0.00 C ATOM 649 OD1 ASP A 40 3.410 -2.589 -10.509 1.00 0.00 O ATOM 650 OD2 ASP A 40 1.723 -1.184 -10.823 1.00 0.00 O ATOM 0 H ASP A 40 5.379 0.069 -11.520 1.00 0.00 H new ATOM 0 HA ASP A 40 4.584 1.010 -8.879 1.00 0.00 H new ATOM 0 HB2 ASP A 40 3.561 -1.128 -8.295 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.610 0.182 -8.968 1.00 0.00 H new ATOM 655 N LEU A 41 7.133 0.078 -9.024 1.00 0.00 N ATOM 656 CA LEU A 41 8.477 -0.551 -8.983 1.00 0.00 C ATOM 657 C LEU A 41 8.734 -1.669 -7.964 1.00 0.00 C ATOM 658 O LEU A 41 9.692 -2.430 -8.057 1.00 0.00 O ATOM 659 CB LEU A 41 9.610 0.486 -9.089 1.00 0.00 C ATOM 660 CG LEU A 41 9.665 1.528 -7.970 1.00 0.00 C ATOM 661 CD1 LEU A 41 10.659 1.133 -6.887 1.00 0.00 C ATOM 662 CD2 LEU A 41 10.061 2.860 -8.587 1.00 0.00 C ATOM 0 H LEU A 41 7.144 1.054 -8.729 1.00 0.00 H new ATOM 0 HA LEU A 41 8.480 -1.145 -9.897 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.562 -0.045 -9.113 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.512 1.008 -10.041 1.00 0.00 H new ATOM 0 HG LEU A 41 8.686 1.600 -7.495 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.672 1.896 -6.109 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.364 0.177 -6.453 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.654 1.042 -7.322 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.108 3.622 -7.809 1.00 0.00 H new ATOM 0 HD22 LEU A 41 11.038 2.765 -9.061 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.322 3.149 -9.334 1.00 0.00 H new ATOM 674 N GLN A 42 7.793 -1.792 -7.013 1.00 0.00 N ATOM 675 CA GLN A 42 7.536 -2.784 -5.989 1.00 0.00 C ATOM 676 C GLN A 42 6.402 -3.753 -6.369 1.00 0.00 C ATOM 677 O GLN A 42 5.731 -3.997 -5.378 1.00 0.00 O ATOM 678 CB GLN A 42 7.393 -2.239 -4.522 1.00 0.00 C ATOM 679 CG GLN A 42 8.331 -2.966 -3.527 1.00 0.00 C ATOM 680 CD GLN A 42 8.257 -4.499 -3.547 1.00 0.00 C ATOM 681 OE1 GLN A 42 7.129 -5.068 -3.084 1.00 0.00 O flip ATOM 682 NE2 GLN A 42 9.201 -5.192 -3.929 1.00 0.00 N flip ATOM 0 H GLN A 42 7.082 -1.063 -6.950 1.00 0.00 H new ATOM 0 HA GLN A 42 8.463 -3.357 -5.960 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.614 -1.172 -4.511 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.360 -2.355 -4.194 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.358 -2.667 -3.738 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.099 -2.622 -2.519 1.00 0.00 H new ATOM 0 HE21 GLN A 42 10.051 -4.749 -4.278 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.133 -6.209 -3.896 1.00 0.00 H new ATOM 691 N PRO A 43 5.977 -4.344 -7.541 1.00 0.00 N ATOM 692 CA PRO A 43 4.577 -4.623 -7.963 1.00 0.00 C ATOM 693 C PRO A 43 3.502 -5.133 -6.970 1.00 0.00 C ATOM 694 O PRO A 43 2.324 -4.911 -7.222 1.00 0.00 O ATOM 695 CB PRO A 43 4.762 -5.602 -9.129 1.00 0.00 C ATOM 696 CG PRO A 43 5.998 -5.061 -9.842 1.00 0.00 C ATOM 697 CD PRO A 43 6.871 -4.538 -8.688 1.00 0.00 C ATOM 0 HA PRO A 43 4.121 -3.654 -8.167 1.00 0.00 H new ATOM 0 HB2 PRO A 43 4.913 -6.623 -8.778 1.00 0.00 H new ATOM 0 HB3 PRO A 43 3.892 -5.616 -9.785 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.507 -5.839 -10.411 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.742 -4.268 -10.545 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.662 -5.249 -8.447 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.357 -3.602 -8.963 1.00 0.00 H new ATOM 705 N TYR A 44 3.882 -5.787 -5.846 1.00 0.00 N ATOM 706 CA TYR A 44 3.054 -6.190 -4.729 1.00 0.00 C ATOM 707 C TYR A 44 4.062 -6.325 -3.578 1.00 0.00 C ATOM 708 O TYR A 44 5.137 -6.891 -3.777 1.00 0.00 O ATOM 709 CB TYR A 44 2.438 -7.623 -4.903 1.00 0.00 C ATOM 710 CG TYR A 44 1.172 -7.678 -5.749 1.00 0.00 C ATOM 711 CD1 TYR A 44 1.207 -7.904 -7.123 1.00 0.00 C ATOM 712 CD2 TYR A 44 -0.079 -7.603 -5.145 1.00 0.00 C ATOM 713 CE1 TYR A 44 0.043 -8.123 -7.838 1.00 0.00 C ATOM 714 CE2 TYR A 44 -1.236 -7.864 -5.851 1.00 0.00 C ATOM 715 CZ TYR A 44 -1.173 -8.141 -7.198 1.00 0.00 C ATOM 716 OH TYR A 44 -2.340 -8.434 -7.932 1.00 0.00 O ATOM 0 H TYR A 44 4.855 -6.058 -5.705 1.00 0.00 H new ATOM 0 HA TYR A 44 2.235 -5.482 -4.599 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.188 -8.273 -5.354 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.216 -8.030 -3.916 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.156 -7.908 -7.638 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -0.146 -7.335 -4.101 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.090 -8.281 -8.905 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.191 -7.851 -5.347 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.117 -8.408 -7.335 1.00 0.00 H new ATOM 726 N MET A 45 3.723 -5.838 -2.356 1.00 0.00 N ATOM 727 CA MET A 45 4.486 -5.807 -1.101 1.00 0.00 C ATOM 728 C MET A 45 3.707 -6.522 0.018 1.00 0.00 C ATOM 729 O MET A 45 2.514 -6.242 0.101 1.00 0.00 O ATOM 730 CB MET A 45 4.615 -4.328 -0.568 1.00 0.00 C ATOM 731 CG MET A 45 5.051 -3.250 -1.580 1.00 0.00 C ATOM 732 SD MET A 45 4.274 -1.639 -1.292 1.00 0.00 S ATOM 733 CE MET A 45 5.228 -1.141 0.161 1.00 0.00 C ATOM 0 H MET A 45 2.805 -5.413 -2.222 1.00 0.00 H new ATOM 0 HA MET A 45 5.450 -6.269 -1.316 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.651 -4.033 -0.154 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.329 -4.327 0.256 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.134 -3.136 -1.535 1.00 0.00 H new ATOM 0 HG3 MET A 45 4.808 -3.588 -2.587 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.781 -0.250 0.602 1.00 0.00 H new ATOM 0 HE2 MET A 45 5.224 -1.949 0.893 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.254 -0.924 -0.135 1.00 0.00 H new ATOM 743 N PRO A 46 4.178 -7.400 0.922 1.00 0.00 N ATOM 744 CA PRO A 46 3.379 -7.914 2.067 1.00 0.00 C ATOM 745 C PRO A 46 3.219 -6.870 3.208 1.00 0.00 C ATOM 746 O PRO A 46 3.961 -5.888 3.222 1.00 0.00 O ATOM 747 CB PRO A 46 4.314 -9.065 2.542 1.00 0.00 C ATOM 748 CG PRO A 46 5.756 -8.591 2.249 1.00 0.00 C ATOM 749 CD PRO A 46 5.553 -7.915 0.889 1.00 0.00 C ATOM 0 HA PRO A 46 2.358 -8.188 1.801 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.177 -9.265 3.605 1.00 0.00 H new ATOM 0 HB3 PRO A 46 4.093 -9.991 2.012 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.127 -7.899 3.005 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.463 -9.419 2.200 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.272 -7.110 0.737 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.690 -8.623 0.072 1.00 0.00 H new ATOM 757 N ILE A 47 2.321 -7.080 4.238 1.00 0.00 N ATOM 758 CA ILE A 47 2.163 -6.232 5.473 1.00 0.00 C ATOM 759 C ILE A 47 3.502 -6.073 6.242 1.00 0.00 C ATOM 760 O ILE A 47 3.902 -4.963 6.595 1.00 0.00 O ATOM 761 CB ILE A 47 0.979 -6.528 6.429 1.00 0.00 C ATOM 762 CG1 ILE A 47 -0.296 -6.959 5.668 1.00 0.00 C ATOM 763 CG2 ILE A 47 0.715 -5.274 7.307 1.00 0.00 C ATOM 764 CD1 ILE A 47 -1.545 -7.022 6.562 1.00 0.00 C ATOM 0 H ILE A 47 1.672 -7.867 4.227 1.00 0.00 H new ATOM 0 HA ILE A 47 1.864 -5.276 5.044 1.00 0.00 H new ATOM 0 HB ILE A 47 1.249 -7.370 7.066 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.477 -6.260 4.851 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.129 -7.938 5.219 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.117 -5.472 7.983 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.608 -5.042 7.888 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.468 -4.427 6.667 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.404 -7.331 5.966 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.382 -7.742 7.364 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.736 -6.038 6.991 1.00 0.00 H new ATOM 776 N PRO A 48 4.260 -7.157 6.504 1.00 0.00 N ATOM 777 CA PRO A 48 5.677 -7.197 6.748 1.00 0.00 C ATOM 778 C PRO A 48 6.657 -6.506 5.793 1.00 0.00 C ATOM 779 O PRO A 48 7.802 -6.482 6.198 1.00 0.00 O ATOM 780 CB PRO A 48 6.018 -8.476 7.514 1.00 0.00 C ATOM 781 CG PRO A 48 4.657 -9.147 7.682 1.00 0.00 C ATOM 782 CD PRO A 48 3.828 -8.554 6.531 1.00 0.00 C ATOM 0 HA PRO A 48 5.957 -6.381 7.414 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.713 -9.106 6.959 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.483 -8.259 8.476 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.731 -10.232 7.607 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.215 -8.924 8.653 1.00 0.00 H new ATOM 0 HD2 PRO A 48 4.030 -9.058 5.586 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.758 -8.642 6.717 1.00 0.00 H new ATOM 790 N HIS A 49 6.415 -6.010 4.512 1.00 0.00 N ATOM 791 CA HIS A 49 7.451 -5.372 3.608 1.00 0.00 C ATOM 792 C HIS A 49 8.207 -4.263 4.301 1.00 0.00 C ATOM 793 O HIS A 49 9.414 -4.076 4.189 1.00 0.00 O ATOM 794 CB HIS A 49 6.749 -4.548 2.435 1.00 0.00 C ATOM 795 CG HIS A 49 7.426 -3.311 1.757 1.00 0.00 C ATOM 796 ND1 HIS A 49 7.527 -2.050 2.336 1.00 0.00 N ATOM 797 CD2 HIS A 49 8.127 -3.211 0.596 1.00 0.00 C ATOM 798 CE1 HIS A 49 8.310 -1.288 1.545 1.00 0.00 C ATOM 799 NE2 HIS A 49 8.685 -1.942 0.465 1.00 0.00 N ATOM 0 H HIS A 49 5.490 -6.046 4.084 1.00 0.00 H new ATOM 0 HA HIS A 49 8.076 -6.205 3.286 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.533 -5.261 1.639 1.00 0.00 H new ATOM 0 HB3 HIS A 49 5.791 -4.205 2.825 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.236 -4.007 -0.126 1.00 0.00 H new ATOM 0 HE1 HIS A 49 8.594 -0.270 1.769 1.00 0.00 H new ATOM 0 HE2 HIS A 49 9.260 -1.594 -0.302 1.00 0.00 H new ATOM 807 N VAL A 50 7.396 -3.545 5.098 1.00 0.00 N ATOM 808 CA VAL A 50 7.743 -2.482 6.005 1.00 0.00 C ATOM 809 C VAL A 50 8.588 -2.998 7.211 1.00 0.00 C ATOM 810 O VAL A 50 9.548 -2.341 7.626 1.00 0.00 O ATOM 811 CB VAL A 50 6.490 -1.664 6.238 1.00 0.00 C ATOM 812 CG1 VAL A 50 6.869 -0.464 7.073 1.00 0.00 C ATOM 813 CG2 VAL A 50 5.926 -1.131 4.896 1.00 0.00 C ATOM 0 H VAL A 50 6.392 -3.726 5.110 1.00 0.00 H new ATOM 0 HA VAL A 50 8.458 -1.764 5.602 1.00 0.00 H new ATOM 0 HB VAL A 50 5.743 -2.290 6.726 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.984 0.145 7.257 1.00 0.00 H new ATOM 0 HG12 VAL A 50 7.284 -0.799 8.024 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.613 0.129 6.541 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.026 -0.546 5.086 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.673 -0.501 4.412 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.682 -1.970 4.245 1.00 0.00 H new ATOM 823 N ARG A 51 8.353 -4.273 7.694 1.00 0.00 N ATOM 824 CA ARG A 51 9.269 -5.057 8.568 1.00 0.00 C ATOM 825 C ARG A 51 10.696 -5.237 8.037 1.00 0.00 C ATOM 826 O ARG A 51 11.647 -5.269 8.815 1.00 0.00 O ATOM 827 CB ARG A 51 8.732 -6.417 9.134 1.00 0.00 C ATOM 828 CG ARG A 51 9.189 -7.788 8.552 1.00 0.00 C ATOM 829 CD ARG A 51 10.420 -8.414 9.225 1.00 0.00 C ATOM 830 NE ARG A 51 10.692 -9.779 8.643 1.00 0.00 N ATOM 831 CZ ARG A 51 10.168 -10.945 9.135 1.00 0.00 C ATOM 832 NH1 ARG A 51 9.306 -10.946 10.192 1.00 0.00 N ATOM 833 NH2 ARG A 51 10.520 -12.131 8.555 1.00 0.00 N ATOM 0 H ARG A 51 7.497 -4.782 7.472 1.00 0.00 H new ATOM 0 HA ARG A 51 9.309 -4.376 9.418 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.970 -6.431 10.198 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.646 -6.386 9.051 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.359 -8.490 8.628 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.402 -7.660 7.491 1.00 0.00 H new ATOM 0 HD2 ARG A 51 11.288 -7.770 9.083 1.00 0.00 H new ATOM 0 HD3 ARG A 51 10.255 -8.495 10.299 1.00 0.00 H new ATOM 0 HE ARG A 51 11.306 -9.837 7.831 1.00 0.00 H new ATOM 0 HH11 ARG A 51 9.039 -10.066 10.633 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.928 -11.827 10.541 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.166 -12.141 7.765 1.00 0.00 H new ATOM 0 HH22 ARG A 51 10.137 -13.007 8.912 1.00 0.00 H new ATOM 847 N ASP A 52 10.905 -5.289 6.678 1.00 0.00 N ATOM 848 CA ASP A 52 12.254 -5.295 6.090 1.00 0.00 C ATOM 849 C ASP A 52 12.985 -3.923 6.175 1.00 0.00 C ATOM 850 O ASP A 52 14.198 -3.846 5.975 1.00 0.00 O ATOM 851 CB ASP A 52 12.209 -5.824 4.620 1.00 0.00 C ATOM 852 CG ASP A 52 13.568 -6.323 4.108 1.00 0.00 C ATOM 853 OD1 ASP A 52 14.122 -7.270 4.727 1.00 0.00 O ATOM 854 OD2 ASP A 52 14.063 -5.762 3.095 1.00 0.00 O ATOM 0 H ASP A 52 10.151 -5.327 5.992 1.00 0.00 H new ATOM 0 HA ASP A 52 12.848 -5.978 6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.485 -6.636 4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.853 -5.028 3.966 1.00 0.00 H new ATOM 859 N SER A 53 12.261 -2.796 6.466 1.00 0.00 N ATOM 860 CA SER A 53 12.832 -1.483 6.692 1.00 0.00 C ATOM 861 C SER A 53 13.146 -1.110 8.124 1.00 0.00 C ATOM 862 O SER A 53 14.181 -0.486 8.357 1.00 0.00 O ATOM 863 CB SER A 53 11.965 -0.333 6.183 1.00 0.00 C ATOM 864 OG SER A 53 12.720 0.889 6.089 1.00 0.00 O ATOM 0 H SER A 53 11.244 -2.806 6.545 1.00 0.00 H new ATOM 0 HA SER A 53 13.759 -1.598 6.130 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.557 -0.587 5.205 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.118 -0.189 6.854 1.00 0.00 H new ATOM 0 HG SER A 53 12.314 1.569 6.666 1.00 0.00 H new ATOM 870 N LEU A 54 12.186 -1.366 9.086 1.00 0.00 N ATOM 871 CA LEU A 54 12.113 -0.682 10.395 1.00 0.00 C ATOM 872 C LEU A 54 13.301 -0.998 11.294 1.00 0.00 C ATOM 873 O LEU A 54 13.748 -0.163 12.069 1.00 0.00 O ATOM 874 CB LEU A 54 10.732 -0.870 11.162 1.00 0.00 C ATOM 875 CG LEU A 54 10.125 -2.256 11.585 1.00 0.00 C ATOM 876 CD1 LEU A 54 8.688 -2.463 11.078 1.00 0.00 C ATOM 877 CD2 LEU A 54 10.920 -3.481 11.215 1.00 0.00 C ATOM 0 H LEU A 54 11.449 -2.058 8.954 1.00 0.00 H new ATOM 0 HA LEU A 54 12.165 0.377 10.143 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.815 -0.286 12.078 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.976 -0.387 10.543 1.00 0.00 H new ATOM 0 HG LEU A 54 10.151 -2.172 12.671 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.325 -3.438 11.402 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.044 -1.683 11.482 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.676 -2.415 9.989 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.397 -4.372 11.561 1.00 0.00 H new ATOM 0 HD22 LEU A 54 11.036 -3.526 10.132 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.903 -3.432 11.684 1.00 0.00 H new ATOM 889 N ILE A 55 13.905 -2.185 11.070 1.00 0.00 N ATOM 890 CA ILE A 55 15.184 -2.623 11.587 1.00 0.00 C ATOM 891 C ILE A 55 15.675 -3.570 10.481 1.00 0.00 C ATOM 892 O ILE A 55 14.865 -4.133 9.752 1.00 0.00 O ATOM 893 CB ILE A 55 15.247 -3.346 12.962 1.00 0.00 C ATOM 894 CG1 ILE A 55 13.994 -3.442 13.879 1.00 0.00 C ATOM 895 CG2 ILE A 55 16.472 -2.871 13.773 1.00 0.00 C ATOM 896 CD1 ILE A 55 13.299 -2.182 14.308 1.00 0.00 C ATOM 0 H ILE A 55 13.469 -2.896 10.483 1.00 0.00 H new ATOM 0 HA ILE A 55 15.780 -1.737 11.806 1.00 0.00 H new ATOM 0 HB ILE A 55 15.323 -4.380 12.627 1.00 0.00 H new ATOM 0 HG12 ILE A 55 13.259 -4.063 13.366 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.289 -3.977 14.782 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.497 -3.389 14.732 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.384 -3.091 13.218 1.00 0.00 H new ATOM 0 HG23 ILE A 55 16.401 -1.797 13.943 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.448 -2.433 14.942 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.994 -1.555 14.866 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.949 -1.642 13.428 1.00 0.00 H new ATOM 908 N GLN A 56 17.011 -3.775 10.378 1.00 0.00 N ATOM 909 CA GLN A 56 17.722 -4.727 9.515 1.00 0.00 C ATOM 910 C GLN A 56 18.058 -6.148 10.039 1.00 0.00 C ATOM 911 O GLN A 56 17.906 -7.073 9.244 1.00 0.00 O ATOM 912 CB GLN A 56 19.021 -4.093 8.928 1.00 0.00 C ATOM 913 CG GLN A 56 18.767 -2.840 8.061 1.00 0.00 C ATOM 914 CD GLN A 56 17.846 -3.193 6.887 1.00 0.00 C ATOM 915 OE1 GLN A 56 18.274 -3.824 5.918 1.00 0.00 O ATOM 916 NE2 GLN A 56 16.551 -2.805 7.001 1.00 0.00 N ATOM 0 H GLN A 56 17.663 -3.232 10.944 1.00 0.00 H new ATOM 0 HA GLN A 56 16.952 -4.916 8.767 1.00 0.00 H new ATOM 0 HB2 GLN A 56 19.687 -3.826 9.749 1.00 0.00 H new ATOM 0 HB3 GLN A 56 19.539 -4.840 8.327 1.00 0.00 H new ATOM 0 HG2 GLN A 56 18.314 -2.055 8.666 1.00 0.00 H new ATOM 0 HG3 GLN A 56 19.713 -2.449 7.687 1.00 0.00 H new ATOM 0 HE21 GLN A 56 16.245 -2.284 7.823 1.00 0.00 H new ATOM 0 HE22 GLN A 56 15.883 -3.034 6.265 1.00 0.00 H new ATOM 925 N PRO A 57 18.549 -6.431 11.275 1.00 0.00 N ATOM 926 CA PRO A 57 19.143 -7.728 11.651 1.00 0.00 C ATOM 927 C PRO A 57 18.111 -8.739 12.178 1.00 0.00 C ATOM 928 O PRO A 57 17.042 -8.910 11.613 1.00 0.00 O ATOM 929 CB PRO A 57 20.103 -7.274 12.777 1.00 0.00 C ATOM 930 CG PRO A 57 19.263 -6.226 13.513 1.00 0.00 C ATOM 931 CD PRO A 57 18.745 -5.424 12.318 1.00 0.00 C ATOM 0 HA PRO A 57 19.607 -8.255 10.817 1.00 0.00 H new ATOM 0 HB2 PRO A 57 20.386 -8.100 13.429 1.00 0.00 H new ATOM 0 HB3 PRO A 57 21.026 -6.851 12.380 1.00 0.00 H new ATOM 0 HG2 PRO A 57 18.458 -6.671 14.098 1.00 0.00 H new ATOM 0 HG3 PRO A 57 19.857 -5.620 14.197 1.00 0.00 H new ATOM 0 HD2 PRO A 57 17.814 -4.909 12.556 1.00 0.00 H new ATOM 0 HD3 PRO A 57 19.460 -4.662 12.008 1.00 0.00 H new ATOM 939 N HIS A 58 18.410 -9.406 13.327 1.00 0.00 N ATOM 940 CA HIS A 58 17.593 -10.367 14.070 1.00 0.00 C ATOM 941 C HIS A 58 16.413 -9.732 14.804 1.00 0.00 C ATOM 942 O HIS A 58 15.402 -10.375 15.057 1.00 0.00 O ATOM 943 CB HIS A 58 18.439 -11.207 15.062 1.00 0.00 C ATOM 944 CG HIS A 58 19.502 -12.034 14.388 1.00 0.00 C ATOM 945 ND1 HIS A 58 20.531 -12.632 15.081 1.00 0.00 N ATOM 946 CD2 HIS A 58 19.648 -12.437 13.092 1.00 0.00 C ATOM 947 CE1 HIS A 58 21.247 -13.355 14.183 1.00 0.00 C ATOM 948 NE2 HIS A 58 20.751 -13.265 12.967 1.00 0.00 N ATOM 0 H HIS A 58 19.310 -9.262 13.784 1.00 0.00 H new ATOM 0 HA HIS A 58 17.181 -11.028 13.307 1.00 0.00 H new ATOM 0 HB2 HIS A 58 18.911 -10.539 15.782 1.00 0.00 H new ATOM 0 HB3 HIS A 58 17.778 -11.866 15.624 1.00 0.00 H new ATOM 0 HD2 HIS A 58 18.996 -12.151 12.280 1.00 0.00 H new ATOM 0 HE1 HIS A 58 22.121 -13.936 14.436 1.00 0.00 H new ATOM 0 HE2 HIS A 58 21.102 -13.708 12.118 1.00 0.00 H new ATOM 956 N ASP A 59 16.528 -8.428 15.175 1.00 0.00 N ATOM 957 CA ASP A 59 15.545 -7.614 15.860 1.00 0.00 C ATOM 958 C ASP A 59 14.558 -6.968 14.904 1.00 0.00 C ATOM 959 O ASP A 59 13.678 -6.251 15.353 1.00 0.00 O ATOM 960 CB ASP A 59 16.224 -6.496 16.700 1.00 0.00 C ATOM 961 CG ASP A 59 17.154 -7.127 17.741 1.00 0.00 C ATOM 962 OD1 ASP A 59 16.637 -7.852 18.633 1.00 0.00 O ATOM 963 OD2 ASP A 59 18.388 -6.893 17.656 1.00 0.00 O ATOM 0 H ASP A 59 17.379 -7.902 14.979 1.00 0.00 H new ATOM 0 HA ASP A 59 15.002 -8.294 16.516 1.00 0.00 H new ATOM 0 HB2 ASP A 59 16.790 -5.831 16.048 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.466 -5.889 17.195 1.00 0.00 H new ATOM 968 N ARG A 60 14.632 -7.222 13.562 1.00 0.00 N ATOM 969 CA ARG A 60 13.739 -6.746 12.486 1.00 0.00 C ATOM 970 C ARG A 60 12.243 -6.862 12.739 1.00 0.00 C ATOM 971 O ARG A 60 11.525 -5.901 12.538 1.00 0.00 O ATOM 972 CB ARG A 60 14.162 -7.236 11.066 1.00 0.00 C ATOM 973 CG ARG A 60 13.648 -8.621 10.628 1.00 0.00 C ATOM 974 CD ARG A 60 14.158 -9.811 11.456 1.00 0.00 C ATOM 975 NE ARG A 60 13.016 -10.774 11.649 1.00 0.00 N ATOM 976 CZ ARG A 60 13.116 -11.948 12.345 1.00 0.00 C ATOM 977 NH1 ARG A 60 14.312 -12.367 12.849 1.00 0.00 N ATOM 978 NH2 ARG A 60 11.996 -12.708 12.536 1.00 0.00 N ATOM 0 H ARG A 60 15.377 -7.810 13.188 1.00 0.00 H new ATOM 0 HA ARG A 60 13.902 -5.668 12.509 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.821 -6.501 10.337 1.00 0.00 H new ATOM 0 HB3 ARG A 60 15.251 -7.248 11.021 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.559 -8.614 10.668 1.00 0.00 H new ATOM 0 HG3 ARG A 60 13.928 -8.780 9.586 1.00 0.00 H new ATOM 0 HD2 ARG A 60 14.987 -10.302 10.946 1.00 0.00 H new ATOM 0 HD3 ARG A 60 14.534 -9.470 12.420 1.00 0.00 H new ATOM 0 HE ARG A 60 12.114 -10.537 11.236 1.00 0.00 H new ATOM 0 HH11 ARG A 60 15.150 -11.803 12.710 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.368 -13.245 13.365 1.00 0.00 H new ATOM 0 HH21 ARG A 60 11.099 -12.398 12.162 1.00 0.00 H new ATOM 0 HH22 ARG A 60 12.057 -13.585 13.053 1.00 0.00 H new ATOM 992 N LYS A 61 11.716 -7.993 13.280 1.00 0.00 N ATOM 993 CA LYS A 61 10.341 -8.118 13.773 1.00 0.00 C ATOM 994 C LYS A 61 9.986 -7.376 15.058 1.00 0.00 C ATOM 995 O LYS A 61 8.828 -7.054 15.313 1.00 0.00 O ATOM 996 CB LYS A 61 9.515 -9.335 13.289 1.00 0.00 C ATOM 997 CG LYS A 61 8.250 -9.762 14.084 1.00 0.00 C ATOM 998 CD LYS A 61 8.508 -10.425 15.452 1.00 0.00 C ATOM 999 CE LYS A 61 9.416 -11.664 15.422 1.00 0.00 C ATOM 1000 NZ LYS A 61 8.867 -12.720 14.537 1.00 0.00 N ATOM 0 H LYS A 61 12.255 -8.853 13.382 1.00 0.00 H new ATOM 0 HA LYS A 61 9.784 -7.422 13.146 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.205 -9.133 12.264 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.186 -10.193 13.256 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.628 -8.881 14.240 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.674 -10.454 13.469 1.00 0.00 H new ATOM 0 HD2 LYS A 61 8.953 -9.685 16.117 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.549 -10.708 15.886 1.00 0.00 H new ATOM 0 HE2 LYS A 61 10.410 -11.379 15.077 1.00 0.00 H new ATOM 0 HE3 LYS A 61 9.530 -12.057 16.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.505 -13.542 14.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.929 -13.008 14.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.782 -12.351 13.568 1.00 0.00 H new ATOM 1014 N LYS A 62 10.963 -7.073 15.951 1.00 0.00 N ATOM 1015 CA LYS A 62 10.764 -6.344 17.209 1.00 0.00 C ATOM 1016 C LYS A 62 10.034 -4.982 17.149 1.00 0.00 C ATOM 1017 O LYS A 62 9.289 -4.637 18.062 1.00 0.00 O ATOM 1018 CB LYS A 62 12.097 -6.272 18.009 1.00 0.00 C ATOM 1019 CG LYS A 62 11.944 -5.686 19.423 1.00 0.00 C ATOM 1020 CD LYS A 62 12.526 -4.275 19.640 1.00 0.00 C ATOM 1021 CE LYS A 62 14.054 -4.203 19.513 1.00 0.00 C ATOM 1022 NZ LYS A 62 14.545 -2.832 19.791 1.00 0.00 N ATOM 0 H LYS A 62 11.936 -7.342 15.802 1.00 0.00 H new ATOM 0 HA LYS A 62 10.033 -6.949 17.746 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.518 -7.274 18.085 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.812 -5.667 17.451 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.883 -5.661 19.671 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.420 -6.366 20.129 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.079 -3.594 18.916 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.237 -3.922 20.630 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.514 -4.906 20.208 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.354 -4.504 18.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.581 -2.809 19.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.122 -2.167 19.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.277 -2.557 20.757 1.00 0.00 H new ATOM 1036 N MET A 63 10.153 -4.211 16.029 1.00 0.00 N ATOM 1037 CA MET A 63 9.353 -3.003 15.851 1.00 0.00 C ATOM 1038 C MET A 63 8.301 -3.180 14.775 1.00 0.00 C ATOM 1039 O MET A 63 7.537 -2.258 14.516 1.00 0.00 O ATOM 1040 CB MET A 63 10.087 -1.644 15.845 1.00 0.00 C ATOM 1041 CG MET A 63 10.754 -1.336 17.203 1.00 0.00 C ATOM 1042 SD MET A 63 11.198 0.417 17.430 1.00 0.00 S ATOM 1043 CE MET A 63 12.252 0.569 15.963 1.00 0.00 C ATOM 0 H MET A 63 10.789 -4.416 15.259 1.00 0.00 H new ATOM 0 HA MET A 63 8.826 -2.900 16.800 1.00 0.00 H new ATOM 0 HB2 MET A 63 10.845 -1.646 15.062 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.379 -0.852 15.602 1.00 0.00 H new ATOM 0 HG2 MET A 63 10.079 -1.636 18.004 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.654 -1.944 17.300 1.00 0.00 H new ATOM 0 HE1 MET A 63 12.614 1.594 15.880 1.00 0.00 H new ATOM 0 HE2 MET A 63 13.100 -0.109 16.053 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.676 0.314 15.073 1.00 0.00 H new ATOM 1053 N LYS A 64 8.116 -4.432 14.229 1.00 0.00 N ATOM 1054 CA LYS A 64 6.970 -4.814 13.401 1.00 0.00 C ATOM 1055 C LYS A 64 5.703 -4.920 14.293 1.00 0.00 C ATOM 1056 O LYS A 64 4.599 -4.543 13.903 1.00 0.00 O ATOM 1057 CB LYS A 64 7.283 -6.111 12.604 1.00 0.00 C ATOM 1058 CG LYS A 64 6.099 -7.045 12.383 1.00 0.00 C ATOM 1059 CD LYS A 64 6.319 -8.194 11.405 1.00 0.00 C ATOM 1060 CE LYS A 64 5.302 -9.331 11.579 1.00 0.00 C ATOM 1061 NZ LYS A 64 5.646 -10.484 10.714 1.00 0.00 N ATOM 0 H LYS A 64 8.780 -5.194 14.368 1.00 0.00 H new ATOM 0 HA LYS A 64 6.769 -4.047 12.652 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.689 -5.831 11.632 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.064 -6.660 13.129 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.811 -7.466 13.346 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.256 -6.451 12.029 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.259 -7.813 10.386 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.326 -8.590 11.539 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.279 -9.647 12.622 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.303 -8.972 11.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.801 -11.072 10.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.991 -10.138 9.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 6.388 -11.052 11.171 1.00 0.00 H new ATOM 1075 N LYS A 65 5.902 -5.371 15.563 1.00 0.00 N ATOM 1076 CA LYS A 65 4.932 -5.463 16.660 1.00 0.00 C ATOM 1077 C LYS A 65 4.241 -4.121 17.061 1.00 0.00 C ATOM 1078 O LYS A 65 3.017 -4.039 17.125 1.00 0.00 O ATOM 1079 CB LYS A 65 5.615 -6.132 17.891 1.00 0.00 C ATOM 1080 CG LYS A 65 4.736 -6.381 19.141 1.00 0.00 C ATOM 1081 CD LYS A 65 3.513 -7.275 18.884 1.00 0.00 C ATOM 1082 CE LYS A 65 2.692 -7.575 20.149 1.00 0.00 C ATOM 1083 NZ LYS A 65 2.120 -6.338 20.730 1.00 0.00 N ATOM 0 H LYS A 65 6.821 -5.702 15.855 1.00 0.00 H new ATOM 0 HA LYS A 65 4.113 -6.078 16.287 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.025 -7.090 17.570 1.00 0.00 H new ATOM 0 HB3 LYS A 65 6.458 -5.509 18.190 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.349 -6.838 19.917 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.395 -5.421 19.529 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.869 -6.792 18.149 1.00 0.00 H new ATOM 0 HD3 LYS A 65 3.847 -8.216 18.446 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.888 -8.270 19.906 1.00 0.00 H new ATOM 0 HE3 LYS A 65 3.326 -8.066 20.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 1.504 -6.583 21.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.890 -5.722 21.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.564 -5.839 20.006 1.00 0.00 H new ATOM 1097 N VAL A 66 5.021 -3.003 17.268 1.00 0.00 N ATOM 1098 CA VAL A 66 4.531 -1.618 17.494 1.00 0.00 C ATOM 1099 C VAL A 66 4.056 -0.986 16.196 1.00 0.00 C ATOM 1100 O VAL A 66 3.097 -0.216 16.180 1.00 0.00 O ATOM 1101 CB VAL A 66 5.416 -0.647 18.308 1.00 0.00 C ATOM 1102 CG1 VAL A 66 6.845 -0.508 17.742 1.00 0.00 C ATOM 1103 CG2 VAL A 66 4.725 0.743 18.494 1.00 0.00 C ATOM 0 H VAL A 66 6.039 -3.058 17.280 1.00 0.00 H new ATOM 0 HA VAL A 66 3.694 -1.777 18.174 1.00 0.00 H new ATOM 0 HB VAL A 66 5.529 -1.094 19.295 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.415 0.187 18.359 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.335 -1.482 17.747 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.797 -0.131 16.720 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.377 1.399 19.071 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.534 1.188 17.517 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.781 0.612 19.023 1.00 0.00 H new ATOM 1113 N TRP A 67 4.678 -1.341 15.036 1.00 0.00 N ATOM 1114 CA TRP A 67 4.258 -0.957 13.687 1.00 0.00 C ATOM 1115 C TRP A 67 2.828 -1.413 13.333 1.00 0.00 C ATOM 1116 O TRP A 67 2.085 -0.654 12.732 1.00 0.00 O ATOM 1117 CB TRP A 67 5.333 -1.384 12.659 1.00 0.00 C ATOM 1118 CG TRP A 67 5.007 -1.316 11.187 1.00 0.00 C ATOM 1119 CD1 TRP A 67 4.943 -2.385 10.353 1.00 0.00 C ATOM 1120 CD2 TRP A 67 4.496 -0.187 10.454 1.00 0.00 C ATOM 1121 NE1 TRP A 67 4.495 -1.987 9.130 1.00 0.00 N ATOM 1122 CE2 TRP A 67 4.193 -0.646 9.177 1.00 0.00 C ATOM 1123 CE3 TRP A 67 4.245 1.107 10.824 1.00 0.00 C ATOM 1124 CZ2 TRP A 67 3.661 0.182 8.233 1.00 0.00 C ATOM 1125 CZ3 TRP A 67 3.654 1.927 9.884 1.00 0.00 C ATOM 1126 CH2 TRP A 67 3.399 1.481 8.604 1.00 0.00 C ATOM 0 H TRP A 67 5.515 -1.924 15.032 1.00 0.00 H new ATOM 0 HA TRP A 67 4.187 0.130 13.651 1.00 0.00 H new ATOM 0 HB2 TRP A 67 6.215 -0.766 12.829 1.00 0.00 H new ATOM 0 HB3 TRP A 67 5.615 -2.412 12.886 1.00 0.00 H new ATOM 0 HD1 TRP A 67 5.207 -3.398 10.619 1.00 0.00 H new ATOM 0 HE1 TRP A 67 4.399 -2.587 8.311 1.00 0.00 H new ATOM 0 HE3 TRP A 67 4.498 1.471 11.809 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 3.453 -0.168 7.233 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.386 2.937 10.156 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.985 2.165 7.878 1.00 0.00 H new ATOM 1137 N ASP A 68 2.377 -2.613 13.807 1.00 0.00 N ATOM 1138 CA ASP A 68 0.995 -3.131 13.705 1.00 0.00 C ATOM 1139 C ASP A 68 -0.077 -2.180 14.281 1.00 0.00 C ATOM 1140 O ASP A 68 -1.123 -1.949 13.684 1.00 0.00 O ATOM 1141 CB ASP A 68 0.829 -4.505 14.418 1.00 0.00 C ATOM 1142 CG ASP A 68 1.716 -5.581 13.786 1.00 0.00 C ATOM 1143 OD1 ASP A 68 1.797 -5.630 12.529 1.00 0.00 O ATOM 1144 OD2 ASP A 68 2.307 -6.385 14.554 1.00 0.00 O ATOM 0 H ASP A 68 2.998 -3.264 14.288 1.00 0.00 H new ATOM 0 HA ASP A 68 0.836 -3.230 12.631 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.080 -4.400 15.473 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.214 -4.817 14.368 1.00 0.00 H new ATOM 1149 N ARG A 69 0.246 -1.557 15.448 1.00 0.00 N ATOM 1150 CA ARG A 69 -0.444 -0.456 16.115 1.00 0.00 C ATOM 1151 C ARG A 69 -0.172 0.924 15.464 1.00 0.00 C ATOM 1152 O ARG A 69 -1.110 1.671 15.177 1.00 0.00 O ATOM 1153 CB ARG A 69 -0.105 -0.532 17.628 1.00 0.00 C ATOM 1154 CG ARG A 69 -0.808 0.480 18.556 1.00 0.00 C ATOM 1155 CD ARG A 69 -2.339 0.545 18.395 1.00 0.00 C ATOM 1156 NE ARG A 69 -2.879 1.609 19.314 1.00 0.00 N ATOM 1157 CZ ARG A 69 -4.159 2.091 19.229 1.00 0.00 C ATOM 1158 NH1 ARG A 69 -5.027 1.616 18.291 1.00 0.00 N ATOM 1159 NH2 ARG A 69 -4.570 3.065 20.095 1.00 0.00 N ATOM 0 H ARG A 69 1.067 -1.849 15.977 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.522 -0.565 15.993 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.345 -1.536 17.979 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.972 -0.403 17.741 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.575 0.226 19.590 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -0.394 1.471 18.370 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -2.600 0.771 17.361 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.785 -0.421 18.633 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.263 1.989 20.033 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.727 0.891 17.639 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.976 1.986 18.241 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -3.926 3.428 20.798 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.521 3.429 20.039 1.00 0.00 H new ATOM 1173 N ALA A 70 1.121 1.292 15.163 1.00 0.00 N ATOM 1174 CA ALA A 70 1.584 2.507 14.470 1.00 0.00 C ATOM 1175 C ALA A 70 1.004 2.755 13.062 1.00 0.00 C ATOM 1176 O ALA A 70 0.800 3.905 12.661 1.00 0.00 O ATOM 1177 CB ALA A 70 3.105 2.683 14.518 1.00 0.00 C ATOM 0 H ALA A 70 1.905 0.694 15.424 1.00 0.00 H new ATOM 0 HA ALA A 70 1.144 3.305 15.068 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.383 3.596 13.990 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.431 2.751 15.556 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.585 1.828 14.042 1.00 0.00 H new ATOM 1183 N VAL A 71 0.691 1.635 12.320 1.00 0.00 N ATOM 1184 CA VAL A 71 -0.071 1.501 11.056 1.00 0.00 C ATOM 1185 C VAL A 71 -1.463 2.138 11.137 1.00 0.00 C ATOM 1186 O VAL A 71 -1.930 2.726 10.166 1.00 0.00 O ATOM 1187 CB VAL A 71 -0.264 0.013 10.639 1.00 0.00 C ATOM 1188 CG1 VAL A 71 -1.397 -0.284 9.626 1.00 0.00 C ATOM 1189 CG2 VAL A 71 0.999 -0.505 9.946 1.00 0.00 C ATOM 0 H VAL A 71 1.006 0.719 12.640 1.00 0.00 H new ATOM 0 HA VAL A 71 0.532 2.024 10.314 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.509 -0.467 11.586 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.428 -1.354 9.418 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.352 0.032 10.046 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.210 0.260 8.701 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.855 -1.546 9.658 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.198 0.093 9.057 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.845 -0.431 10.629 1.00 0.00 H new ATOM 1199 N ASP A 72 -2.148 2.043 12.317 1.00 0.00 N ATOM 1200 CA ASP A 72 -3.488 2.550 12.621 1.00 0.00 C ATOM 1201 C ASP A 72 -3.559 4.095 12.647 1.00 0.00 C ATOM 1202 O ASP A 72 -4.462 4.675 12.051 1.00 0.00 O ATOM 1203 CB ASP A 72 -4.041 1.784 13.868 1.00 0.00 C ATOM 1204 CG ASP A 72 -5.568 1.798 14.032 1.00 0.00 C ATOM 1205 OD1 ASP A 72 -6.280 2.374 13.168 1.00 0.00 O ATOM 1206 OD2 ASP A 72 -6.038 1.208 15.042 1.00 0.00 O ATOM 0 H ASP A 72 -1.734 1.575 13.124 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.180 2.331 11.807 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.709 0.747 13.812 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.593 2.214 14.764 1.00 0.00 H new ATOM 1211 N PHE A 73 -2.534 4.797 13.228 1.00 0.00 N ATOM 1212 CA PHE A 73 -2.259 6.247 13.119 1.00 0.00 C ATOM 1213 C PHE A 73 -1.917 6.656 11.646 1.00 0.00 C ATOM 1214 O PHE A 73 -2.591 7.518 11.081 1.00 0.00 O ATOM 1215 CB PHE A 73 -1.130 6.688 14.112 1.00 0.00 C ATOM 1216 CG PHE A 73 -0.840 8.180 14.041 1.00 0.00 C ATOM 1217 CD1 PHE A 73 -1.840 9.116 14.239 1.00 0.00 C ATOM 1218 CD2 PHE A 73 0.389 8.614 13.584 1.00 0.00 C ATOM 1219 CE1 PHE A 73 -1.624 10.452 13.962 1.00 0.00 C ATOM 1220 CE2 PHE A 73 0.605 9.941 13.276 1.00 0.00 C ATOM 1221 CZ PHE A 73 -0.400 10.868 13.477 1.00 0.00 C ATOM 0 H PHE A 73 -1.845 4.328 13.816 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.170 6.776 13.401 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.423 6.426 15.129 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -0.218 6.133 13.890 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -2.801 8.798 14.615 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.193 7.903 13.466 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.413 11.171 14.125 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.559 10.255 12.878 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.229 11.911 13.256 1.00 0.00 H new ATOM 1231 N LEU A 74 -0.892 6.015 10.968 1.00 0.00 N ATOM 1232 CA LEU A 74 -0.484 6.239 9.535 1.00 0.00 C ATOM 1233 C LEU A 74 -1.619 6.136 8.493 1.00 0.00 C ATOM 1234 O LEU A 74 -1.700 6.934 7.564 1.00 0.00 O ATOM 1235 CB LEU A 74 0.693 5.277 9.152 1.00 0.00 C ATOM 1236 CG LEU A 74 1.433 5.554 7.815 1.00 0.00 C ATOM 1237 CD1 LEU A 74 2.957 5.572 8.036 1.00 0.00 C ATOM 1238 CD2 LEU A 74 1.075 4.536 6.716 1.00 0.00 C ATOM 0 H LEU A 74 -0.314 5.309 11.424 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.164 7.280 9.495 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.428 5.306 9.957 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.300 4.261 9.116 1.00 0.00 H new ATOM 0 HG LEU A 74 1.101 6.533 7.471 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.460 5.767 7.089 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.212 6.355 8.750 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.280 4.606 8.426 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.621 4.778 5.804 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.347 3.533 7.046 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.004 4.575 6.519 1.00 0.00 H new ATOM 1250 N ALA A 75 -2.591 5.189 8.646 1.00 0.00 N ATOM 1251 CA ALA A 75 -3.786 5.071 7.810 1.00 0.00 C ATOM 1252 C ALA A 75 -4.856 6.197 7.905 1.00 0.00 C ATOM 1253 O ALA A 75 -5.726 6.276 7.041 1.00 0.00 O ATOM 1254 CB ALA A 75 -4.425 3.688 8.052 1.00 0.00 C ATOM 0 H ALA A 75 -2.548 4.478 9.376 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.418 5.190 6.791 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.318 3.587 7.435 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -3.712 2.907 7.790 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.698 3.592 9.103 1.00 0.00 H new ATOM 1260 N ALA A 76 -4.811 7.119 8.919 1.00 0.00 N ATOM 1261 CA ALA A 76 -5.739 8.224 9.098 1.00 0.00 C ATOM 1262 C ALA A 76 -5.298 9.511 8.390 1.00 0.00 C ATOM 1263 O ALA A 76 -6.027 10.502 8.344 1.00 0.00 O ATOM 1264 CB ALA A 76 -5.913 8.474 10.612 1.00 0.00 C ATOM 0 H ALA A 76 -4.094 7.089 9.644 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.686 7.943 8.637 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.607 9.300 10.767 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.308 7.575 11.086 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.948 8.723 11.053 1.00 0.00 H new ATOM 1270 N ASN A 77 -4.065 9.509 7.816 1.00 0.00 N ATOM 1271 CA ASN A 77 -3.472 10.646 7.111 1.00 0.00 C ATOM 1272 C ASN A 77 -3.093 10.276 5.681 1.00 0.00 C ATOM 1273 O ASN A 77 -2.451 11.056 4.977 1.00 0.00 O ATOM 1274 CB ASN A 77 -2.307 11.311 7.914 1.00 0.00 C ATOM 1275 CG ASN A 77 -1.484 10.298 8.716 1.00 0.00 C ATOM 1276 OD1 ASN A 77 -0.523 9.714 8.219 1.00 0.00 O ATOM 1277 ND2 ASN A 77 -1.873 10.120 10.004 1.00 0.00 N ATOM 0 H ASN A 77 -3.454 8.693 7.839 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.237 11.419 7.036 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.651 11.839 7.222 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -2.720 12.056 8.594 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.360 9.477 10.607 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -2.678 10.629 10.369 1.00 0.00 H new ATOM 1284 N GLU A 78 -3.544 9.075 5.234 1.00 0.00 N ATOM 1285 CA GLU A 78 -3.372 8.489 3.909 1.00 0.00 C ATOM 1286 C GLU A 78 -2.007 7.852 3.654 1.00 0.00 C ATOM 1287 O GLU A 78 -0.939 8.374 3.971 1.00 0.00 O ATOM 1288 CB GLU A 78 -3.817 9.392 2.719 1.00 0.00 C ATOM 1289 CG GLU A 78 -5.312 9.761 2.783 1.00 0.00 C ATOM 1290 CD GLU A 78 -5.672 10.683 1.620 1.00 0.00 C ATOM 1291 OE1 GLU A 78 -5.121 11.816 1.570 1.00 0.00 O ATOM 1292 OE2 GLU A 78 -6.503 10.270 0.769 1.00 0.00 O ATOM 0 H GLU A 78 -4.075 8.457 5.848 1.00 0.00 H new ATOM 0 HA GLU A 78 -4.087 7.667 3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -3.221 10.305 2.717 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.613 8.877 1.780 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.920 8.857 2.743 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.534 10.253 3.730 1.00 0.00 H new ATOM 1299 N SER A 79 -2.038 6.656 3.028 1.00 0.00 N ATOM 1300 CA SER A 79 -0.890 5.836 2.672 1.00 0.00 C ATOM 1301 C SER A 79 -0.664 5.814 1.160 1.00 0.00 C ATOM 1302 O SER A 79 -1.595 5.597 0.386 1.00 0.00 O ATOM 1303 CB SER A 79 -1.104 4.387 3.214 1.00 0.00 C ATOM 1304 OG SER A 79 -2.394 3.857 2.884 1.00 0.00 O ATOM 0 H SER A 79 -2.919 6.225 2.748 1.00 0.00 H new ATOM 0 HA SER A 79 0.001 6.269 3.127 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.332 3.734 2.807 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.982 4.387 4.297 1.00 0.00 H new ATOM 0 HG SER A 79 -2.328 3.321 2.066 1.00 0.00 H new ATOM 1310 N ARG A 80 0.611 5.994 0.714 1.00 0.00 N ATOM 1311 CA ARG A 80 1.055 5.999 -0.690 1.00 0.00 C ATOM 1312 C ARG A 80 1.365 4.600 -1.276 1.00 0.00 C ATOM 1313 O ARG A 80 2.252 4.478 -2.127 1.00 0.00 O ATOM 1314 CB ARG A 80 2.284 6.935 -0.895 1.00 0.00 C ATOM 1315 CG ARG A 80 2.074 8.374 -0.383 1.00 0.00 C ATOM 1316 CD ARG A 80 3.231 9.322 -0.741 1.00 0.00 C ATOM 1317 NE ARG A 80 3.237 9.529 -2.232 1.00 0.00 N ATOM 1318 CZ ARG A 80 4.104 10.371 -2.877 1.00 0.00 C ATOM 1319 NH1 ARG A 80 5.064 11.055 -2.189 1.00 0.00 N ATOM 1320 NH2 ARG A 80 4.006 10.524 -4.230 1.00 0.00 N ATOM 0 H ARG A 80 1.385 6.146 1.361 1.00 0.00 H new ATOM 0 HA ARG A 80 0.197 6.381 -1.243 1.00 0.00 H new ATOM 0 HB2 ARG A 80 3.145 6.502 -0.386 1.00 0.00 H new ATOM 0 HB3 ARG A 80 2.526 6.971 -1.957 1.00 0.00 H new ATOM 0 HG2 ARG A 80 1.148 8.769 -0.800 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.953 8.353 0.700 1.00 0.00 H new ATOM 0 HD2 ARG A 80 3.112 10.276 -0.227 1.00 0.00 H new ATOM 0 HD3 ARG A 80 4.181 8.900 -0.414 1.00 0.00 H new ATOM 0 HE ARG A 80 2.558 9.014 -2.793 1.00 0.00 H new ATOM 0 HH11 ARG A 80 5.144 10.943 -1.178 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.701 11.678 -2.686 1.00 0.00 H new ATOM 0 HH21 ARG A 80 3.292 10.014 -4.751 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.646 11.148 -4.720 1.00 0.00 H new ATOM 1334 N VAL A 81 0.592 3.553 -0.836 1.00 0.00 N ATOM 1335 CA VAL A 81 0.490 2.181 -1.305 1.00 0.00 C ATOM 1336 C VAL A 81 -0.884 1.807 -0.758 1.00 0.00 C ATOM 1337 O VAL A 81 -1.317 2.392 0.241 1.00 0.00 O ATOM 1338 CB VAL A 81 1.601 1.161 -0.971 1.00 0.00 C ATOM 1339 CG1 VAL A 81 2.901 1.408 -1.800 1.00 0.00 C ATOM 1340 CG2 VAL A 81 1.867 1.094 0.546 1.00 0.00 C ATOM 0 H VAL A 81 -0.040 3.699 -0.049 1.00 0.00 H new ATOM 0 HA VAL A 81 0.624 2.135 -2.386 1.00 0.00 H new ATOM 0 HB VAL A 81 1.238 0.178 -1.272 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.652 0.666 -1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.676 1.325 -2.863 1.00 0.00 H new ATOM 0 HG13 VAL A 81 3.284 2.406 -1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.654 0.367 0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 81 2.180 2.075 0.904 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.955 0.793 1.062 1.00 0.00 H new ATOM 1350 N ARG A 82 -1.656 0.883 -1.394 1.00 0.00 N ATOM 1351 CA ARG A 82 -3.037 0.556 -1.011 1.00 0.00 C ATOM 1352 C ARG A 82 -3.211 -0.910 -0.640 1.00 0.00 C ATOM 1353 O ARG A 82 -2.550 -1.784 -1.200 1.00 0.00 O ATOM 1354 CB ARG A 82 -4.055 0.912 -2.139 1.00 0.00 C ATOM 1355 CG ARG A 82 -3.868 0.128 -3.451 1.00 0.00 C ATOM 1356 CD ARG A 82 -5.068 0.211 -4.402 1.00 0.00 C ATOM 1357 NE ARG A 82 -4.692 -0.486 -5.682 1.00 0.00 N ATOM 1358 CZ ARG A 82 -5.567 -0.668 -6.721 1.00 0.00 C ATOM 1359 NH1 ARG A 82 -6.849 -0.207 -6.645 1.00 0.00 N ATOM 1360 NH2 ARG A 82 -5.144 -1.310 -7.848 1.00 0.00 N ATOM 0 H ARG A 82 -1.323 0.345 -2.194 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.243 1.166 -0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.064 0.734 -1.767 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.978 1.978 -2.355 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.983 0.505 -3.965 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.677 -0.919 -3.213 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.943 -0.260 -3.954 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.330 1.251 -4.596 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.740 -0.840 -5.781 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.167 0.280 -5.807 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.489 -0.350 -7.426 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.184 -1.650 -7.912 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -5.787 -1.450 -8.627 1.00 0.00 H new ATOM 1374 N THR A 83 -4.153 -1.191 0.298 1.00 0.00 N ATOM 1375 CA THR A 83 -4.486 -2.511 0.852 1.00 0.00 C ATOM 1376 C THR A 83 -5.555 -3.242 0.051 1.00 0.00 C ATOM 1377 O THR A 83 -6.730 -2.876 0.066 1.00 0.00 O ATOM 1378 CB THR A 83 -4.971 -2.480 2.310 1.00 0.00 C ATOM 1379 OG1 THR A 83 -4.177 -1.608 3.098 1.00 0.00 O ATOM 1380 CG2 THR A 83 -4.844 -3.878 2.937 1.00 0.00 C ATOM 0 H THR A 83 -4.728 -0.453 0.705 1.00 0.00 H new ATOM 0 HA THR A 83 -3.534 -3.039 0.797 1.00 0.00 H new ATOM 0 HB THR A 83 -6.006 -2.140 2.294 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.235 -1.870 3.028 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.190 -3.846 3.970 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.451 -4.586 2.373 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.801 -4.194 2.913 1.00 0.00 H new ATOM 1388 N GLU A 84 -5.159 -4.331 -0.646 1.00 0.00 N ATOM 1389 CA GLU A 84 -6.031 -5.154 -1.462 1.00 0.00 C ATOM 1390 C GLU A 84 -6.105 -6.545 -0.852 1.00 0.00 C ATOM 1391 O GLU A 84 -5.127 -7.003 -0.260 1.00 0.00 O ATOM 1392 CB GLU A 84 -5.434 -5.196 -2.898 1.00 0.00 C ATOM 1393 CG GLU A 84 -6.275 -5.951 -3.946 1.00 0.00 C ATOM 1394 CD GLU A 84 -5.601 -5.815 -5.311 1.00 0.00 C ATOM 1395 OE1 GLU A 84 -4.476 -6.361 -5.471 1.00 0.00 O ATOM 1396 OE2 GLU A 84 -6.201 -5.168 -6.209 1.00 0.00 O ATOM 0 H GLU A 84 -4.192 -4.657 -0.645 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.042 -4.750 -1.506 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.290 -4.172 -3.243 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.448 -5.657 -2.849 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.364 -7.002 -3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.286 -5.545 -3.982 1.00 0.00 H new ATOM 1403 N THR A 85 -7.260 -7.260 -1.016 1.00 0.00 N ATOM 1404 CA THR A 85 -7.456 -8.652 -0.605 1.00 0.00 C ATOM 1405 C THR A 85 -7.140 -9.498 -1.841 1.00 0.00 C ATOM 1406 O THR A 85 -7.851 -9.438 -2.847 1.00 0.00 O ATOM 1407 CB THR A 85 -8.868 -8.945 -0.086 1.00 0.00 C ATOM 1408 OG1 THR A 85 -9.295 -7.925 0.808 1.00 0.00 O ATOM 1409 CG2 THR A 85 -8.859 -10.256 0.716 1.00 0.00 C ATOM 0 H THR A 85 -8.090 -6.857 -1.451 1.00 0.00 H new ATOM 0 HA THR A 85 -6.803 -8.884 0.237 1.00 0.00 H new ATOM 0 HB THR A 85 -9.533 -9.004 -0.948 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.199 -8.128 1.128 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.863 -10.464 1.085 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.532 -11.073 0.073 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.175 -10.162 1.559 1.00 0.00 H new ATOM 1417 N ARG A 86 -6.026 -10.269 -1.823 1.00 0.00 N ATOM 1418 CA ARG A 86 -5.548 -10.966 -3.014 1.00 0.00 C ATOM 1419 C ARG A 86 -4.964 -12.297 -2.583 1.00 0.00 C ATOM 1420 O ARG A 86 -4.425 -12.425 -1.486 1.00 0.00 O ATOM 1421 CB ARG A 86 -4.509 -10.055 -3.747 1.00 0.00 C ATOM 1422 CG ARG A 86 -3.928 -10.582 -5.075 1.00 0.00 C ATOM 1423 CD ARG A 86 -4.982 -10.768 -6.182 1.00 0.00 C ATOM 1424 NE ARG A 86 -4.298 -11.166 -7.465 1.00 0.00 N ATOM 1425 CZ ARG A 86 -3.900 -12.444 -7.761 1.00 0.00 C ATOM 1426 NH1 ARG A 86 -4.132 -13.476 -6.900 1.00 0.00 N ATOM 1427 NH2 ARG A 86 -3.256 -12.685 -8.941 1.00 0.00 N ATOM 0 H ARG A 86 -5.452 -10.416 -0.993 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.354 -11.169 -3.719 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.981 -9.092 -3.943 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.680 -9.870 -3.064 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.163 -9.890 -5.427 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.434 -11.536 -4.892 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -5.702 -11.532 -5.889 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -5.540 -9.843 -6.327 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.120 -10.438 -8.157 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.610 -13.305 -6.016 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.827 -14.419 -7.141 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.076 -11.919 -9.590 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.955 -13.631 -9.173 1.00 0.00 H new ATOM 1441 N ARG A 87 -5.050 -13.359 -3.431 1.00 0.00 N ATOM 1442 CA ARG A 87 -4.559 -14.709 -3.146 1.00 0.00 C ATOM 1443 C ARG A 87 -3.028 -14.861 -3.211 1.00 0.00 C ATOM 1444 O ARG A 87 -2.429 -14.683 -4.267 1.00 0.00 O ATOM 1445 CB ARG A 87 -5.264 -15.744 -4.055 1.00 0.00 C ATOM 1446 CG ARG A 87 -5.195 -17.182 -3.504 1.00 0.00 C ATOM 1447 CD ARG A 87 -6.080 -18.190 -4.261 1.00 0.00 C ATOM 1448 NE ARG A 87 -7.533 -17.792 -4.152 1.00 0.00 N ATOM 1449 CZ ARG A 87 -8.314 -18.013 -3.046 1.00 0.00 C ATOM 1450 NH1 ARG A 87 -7.832 -18.682 -1.959 1.00 0.00 N ATOM 1451 NH2 ARG A 87 -9.598 -17.548 -3.033 1.00 0.00 N ATOM 0 H ARG A 87 -5.477 -13.282 -4.354 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.816 -14.904 -2.105 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.309 -15.458 -4.178 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.808 -15.719 -5.045 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.161 -17.524 -3.541 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.491 -17.172 -2.455 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.784 -18.230 -5.309 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.937 -19.190 -3.851 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.962 -17.329 -4.953 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.873 -19.029 -1.958 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.431 -18.835 -1.147 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.966 -17.043 -3.839 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.189 -17.706 -2.217 1.00 0.00 H new ATOM 1465 N ILE A 88 -2.357 -15.156 -2.061 1.00 0.00 N ATOM 1466 CA ILE A 88 -0.899 -15.260 -1.930 1.00 0.00 C ATOM 1467 C ILE A 88 -0.591 -16.676 -1.469 1.00 0.00 C ATOM 1468 O ILE A 88 -0.840 -17.009 -0.314 1.00 0.00 O ATOM 1469 CB ILE A 88 -0.265 -14.255 -0.935 1.00 0.00 C ATOM 1470 CG1 ILE A 88 -1.131 -12.995 -0.660 1.00 0.00 C ATOM 1471 CG2 ILE A 88 1.168 -13.904 -1.409 1.00 0.00 C ATOM 1472 CD1 ILE A 88 -1.217 -11.957 -1.787 1.00 0.00 C ATOM 0 H ILE A 88 -2.843 -15.331 -1.181 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.466 -15.020 -2.901 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.212 -14.746 0.037 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -2.143 -13.323 -0.422 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -0.739 -12.500 0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.619 -13.197 -0.712 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.771 -14.811 -1.447 1.00 0.00 H new ATOM 0 HG23 ILE A 88 1.123 -13.457 -2.402 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.850 -11.128 -1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.218 -11.585 -2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.644 -12.420 -2.676 1.00 0.00 H new ATOM 1484 N GLY A 89 -0.080 -17.574 -2.364 1.00 0.00 N ATOM 1485 CA GLY A 89 0.273 -18.996 -2.026 1.00 0.00 C ATOM 1486 C GLY A 89 -0.913 -19.898 -1.736 1.00 0.00 C ATOM 1487 O GLY A 89 -0.810 -20.881 -1.010 1.00 0.00 O ATOM 0 H GLY A 89 0.100 -17.336 -3.340 1.00 0.00 H new ATOM 0 HA2 GLY A 89 0.840 -19.421 -2.854 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.931 -18.995 -1.157 1.00 0.00 H new ATOM 1491 N GLY A 90 -2.088 -19.531 -2.300 1.00 0.00 N ATOM 1492 CA GLY A 90 -3.377 -20.203 -2.073 1.00 0.00 C ATOM 1493 C GLY A 90 -4.239 -19.629 -0.960 1.00 0.00 C ATOM 1494 O GLY A 90 -5.229 -20.254 -0.596 1.00 0.00 O ATOM 0 H GLY A 90 -2.161 -18.740 -2.940 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -3.948 -20.173 -3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -3.183 -21.253 -1.852 1.00 0.00 H new ATOM 1498 N ALA A 91 -3.939 -18.437 -0.372 1.00 0.00 N ATOM 1499 CA ALA A 91 -4.744 -17.888 0.704 1.00 0.00 C ATOM 1500 C ALA A 91 -4.897 -16.401 0.440 1.00 0.00 C ATOM 1501 O ALA A 91 -3.942 -15.734 0.048 1.00 0.00 O ATOM 1502 CB ALA A 91 -4.062 -18.156 2.060 1.00 0.00 C ATOM 0 H ALA A 91 -3.144 -17.856 -0.639 1.00 0.00 H new ATOM 0 HA ALA A 91 -5.727 -18.357 0.743 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.672 -17.741 2.862 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -3.952 -19.231 2.206 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -3.079 -17.686 2.072 1.00 0.00 H new ATOM 1508 N ASP A 92 -6.117 -15.833 0.622 1.00 0.00 N ATOM 1509 CA ASP A 92 -6.460 -14.432 0.380 1.00 0.00 C ATOM 1510 C ASP A 92 -6.062 -13.519 1.551 1.00 0.00 C ATOM 1511 O ASP A 92 -6.635 -13.594 2.635 1.00 0.00 O ATOM 1512 CB ASP A 92 -7.950 -14.283 -0.070 1.00 0.00 C ATOM 1513 CG ASP A 92 -8.991 -14.744 0.963 1.00 0.00 C ATOM 1514 OD1 ASP A 92 -9.064 -15.972 1.236 1.00 0.00 O ATOM 1515 OD2 ASP A 92 -9.732 -13.867 1.481 1.00 0.00 O ATOM 0 H ASP A 92 -6.914 -16.374 0.956 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.858 -14.080 -0.458 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -8.138 -13.237 -0.311 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.095 -14.852 -0.988 1.00 0.00 H new ATOM 1520 N PHE A 93 -5.026 -12.657 1.366 1.00 0.00 N ATOM 1521 CA PHE A 93 -4.478 -11.804 2.415 1.00 0.00 C ATOM 1522 C PHE A 93 -4.600 -10.353 2.010 1.00 0.00 C ATOM 1523 O PHE A 93 -4.863 -10.024 0.853 1.00 0.00 O ATOM 1524 CB PHE A 93 -2.970 -12.115 2.709 1.00 0.00 C ATOM 1525 CG PHE A 93 -2.720 -13.541 3.167 1.00 0.00 C ATOM 1526 CD1 PHE A 93 -3.550 -14.223 4.045 1.00 0.00 C ATOM 1527 CD2 PHE A 93 -1.581 -14.193 2.727 1.00 0.00 C ATOM 1528 CE1 PHE A 93 -3.256 -15.510 4.452 1.00 0.00 C ATOM 1529 CE2 PHE A 93 -1.302 -15.494 3.092 1.00 0.00 C ATOM 1530 CZ PHE A 93 -2.132 -16.151 3.974 1.00 0.00 C ATOM 0 H PHE A 93 -4.554 -12.546 0.468 1.00 0.00 H new ATOM 0 HA PHE A 93 -5.051 -12.004 3.320 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.386 -11.924 1.808 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.609 -11.428 3.474 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.441 -13.739 4.417 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.892 -13.669 2.081 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.909 -16.016 5.147 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.435 -15.996 2.688 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.905 -17.159 4.288 1.00 0.00 H new ATOM 1540 N LEU A 94 -4.345 -9.442 2.993 1.00 0.00 N ATOM 1541 CA LEU A 94 -4.310 -7.999 2.834 1.00 0.00 C ATOM 1542 C LEU A 94 -2.856 -7.662 2.516 1.00 0.00 C ATOM 1543 O LEU A 94 -1.955 -7.846 3.326 1.00 0.00 O ATOM 1544 CB LEU A 94 -4.855 -7.292 4.103 1.00 0.00 C ATOM 1545 CG LEU A 94 -6.376 -7.008 4.004 1.00 0.00 C ATOM 1546 CD1 LEU A 94 -7.215 -8.297 4.012 1.00 0.00 C ATOM 1547 CD2 LEU A 94 -6.851 -6.114 5.169 1.00 0.00 C ATOM 0 H LEU A 94 -4.153 -9.730 3.952 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.955 -7.644 2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.659 -7.914 4.976 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.320 -6.354 4.253 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.524 -6.497 3.052 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.273 -8.043 3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.933 -8.920 3.163 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.035 -8.843 4.938 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.921 -5.931 5.074 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.651 -6.614 6.117 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.317 -5.164 5.140 1.00 0.00 H new ATOM 1559 N VAL A 95 -2.595 -7.235 1.270 1.00 0.00 N ATOM 1560 CA VAL A 95 -1.271 -7.052 0.699 1.00 0.00 C ATOM 1561 C VAL A 95 -1.233 -5.587 0.306 1.00 0.00 C ATOM 1562 O VAL A 95 -2.266 -5.017 -0.069 1.00 0.00 O ATOM 1563 CB VAL A 95 -1.164 -8.055 -0.471 1.00 0.00 C ATOM 1564 CG1 VAL A 95 -2.037 -7.694 -1.706 1.00 0.00 C ATOM 1565 CG2 VAL A 95 0.288 -8.304 -0.909 1.00 0.00 C ATOM 0 H VAL A 95 -3.340 -7.001 0.613 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.419 -7.251 1.349 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.567 -8.979 -0.057 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.902 -8.449 -2.480 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.086 -7.658 -1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.735 -6.721 -2.093 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.302 -9.017 -1.734 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.736 -7.365 -1.233 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.857 -8.707 -0.071 1.00 0.00 H new ATOM 1575 N TRP A 96 -0.054 -4.922 0.342 1.00 0.00 N ATOM 1576 CA TRP A 96 -0.045 -3.507 -0.112 1.00 0.00 C ATOM 1577 C TRP A 96 0.541 -3.489 -1.544 1.00 0.00 C ATOM 1578 O TRP A 96 1.623 -4.014 -1.800 1.00 0.00 O ATOM 1579 CB TRP A 96 0.856 -2.630 0.805 1.00 0.00 C ATOM 1580 CG TRP A 96 0.368 -2.384 2.237 1.00 0.00 C ATOM 1581 CD1 TRP A 96 -0.832 -1.926 2.708 1.00 0.00 C ATOM 1582 CD2 TRP A 96 1.238 -2.458 3.376 1.00 0.00 C ATOM 1583 NE1 TRP A 96 -0.753 -1.688 4.069 1.00 0.00 N ATOM 1584 CE2 TRP A 96 0.523 -2.002 4.488 1.00 0.00 C ATOM 1585 CE3 TRP A 96 2.531 -2.864 3.484 1.00 0.00 C ATOM 1586 CZ2 TRP A 96 1.100 -1.932 5.726 1.00 0.00 C ATOM 1587 CZ3 TRP A 96 3.097 -2.820 4.730 1.00 0.00 C ATOM 1588 CH2 TRP A 96 2.408 -2.361 5.835 1.00 0.00 C ATOM 0 H TRP A 96 0.840 -5.302 0.654 1.00 0.00 H new ATOM 0 HA TRP A 96 -1.058 -3.106 -0.079 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.839 -3.097 0.859 1.00 0.00 H new ATOM 0 HB3 TRP A 96 0.989 -1.662 0.322 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -1.714 -1.772 2.104 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -1.508 -1.340 4.660 1.00 0.00 H new ATOM 0 HE3 TRP A 96 3.088 -3.206 2.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 0.556 -1.558 6.581 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 4.116 -3.155 4.853 1.00 0.00 H new ATOM 0 HH2 TRP A 96 2.898 -2.337 6.797 1.00 0.00 H new ATOM 1599 N ARG A 97 -0.126 -2.852 -2.544 1.00 0.00 N ATOM 1600 CA ARG A 97 0.414 -2.720 -3.884 1.00 0.00 C ATOM 1601 C ARG A 97 0.004 -1.326 -4.258 1.00 0.00 C ATOM 1602 O ARG A 97 -0.899 -0.751 -3.651 1.00 0.00 O ATOM 1603 CB ARG A 97 -0.056 -3.781 -4.924 1.00 0.00 C ATOM 1604 CG ARG A 97 -1.424 -3.550 -5.615 1.00 0.00 C ATOM 1605 CD ARG A 97 -1.596 -4.401 -6.879 1.00 0.00 C ATOM 1606 NE ARG A 97 -2.972 -4.171 -7.442 1.00 0.00 N ATOM 1607 CZ ARG A 97 -3.375 -4.680 -8.648 1.00 0.00 C ATOM 1608 NH1 ARG A 97 -2.516 -5.398 -9.427 1.00 0.00 N ATOM 1609 NH2 ARG A 97 -4.655 -4.467 -9.074 1.00 0.00 N ATOM 0 H ARG A 97 -1.045 -2.426 -2.424 1.00 0.00 H new ATOM 0 HA ARG A 97 1.489 -2.898 -3.892 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.705 -3.851 -5.701 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.091 -4.749 -4.424 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -2.225 -3.782 -4.913 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.523 -2.496 -5.875 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -0.839 -4.136 -7.617 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -1.457 -5.456 -6.644 1.00 0.00 H new ATOM 0 HE ARG A 97 -3.633 -3.612 -6.903 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -1.559 -5.562 -9.114 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -2.830 -5.771 -10.323 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.303 -3.932 -8.495 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -4.963 -4.843 -9.971 1.00 0.00 H new ATOM 1623 N TRP A 98 0.689 -0.697 -5.236 1.00 0.00 N ATOM 1624 CA TRP A 98 0.472 0.694 -5.660 1.00 0.00 C ATOM 1625 C TRP A 98 0.146 1.196 -7.047 1.00 0.00 C ATOM 1626 O TRP A 98 0.548 0.650 -8.069 1.00 0.00 O ATOM 1627 CB TRP A 98 1.019 1.747 -4.690 1.00 0.00 C ATOM 1628 CG TRP A 98 2.261 2.454 -5.061 1.00 0.00 C ATOM 1629 CD1 TRP A 98 2.459 3.788 -5.137 1.00 0.00 C ATOM 1630 CD2 TRP A 98 3.521 1.826 -5.275 1.00 0.00 C ATOM 1631 NE1 TRP A 98 3.714 4.030 -5.551 1.00 0.00 N ATOM 1632 CE2 TRP A 98 4.422 2.845 -5.544 1.00 0.00 C ATOM 1633 CE3 TRP A 98 3.892 0.520 -5.219 1.00 0.00 C ATOM 1634 CZ2 TRP A 98 5.747 2.573 -5.699 1.00 0.00 C ATOM 1635 CZ3 TRP A 98 5.200 0.243 -5.501 1.00 0.00 C ATOM 1636 CH2 TRP A 98 6.128 1.246 -5.702 1.00 0.00 C ATOM 0 H TRP A 98 1.428 -1.160 -5.765 1.00 0.00 H new ATOM 0 HA TRP A 98 -0.584 0.426 -5.671 1.00 0.00 H new ATOM 0 HB2 TRP A 98 0.242 2.496 -4.537 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.186 1.261 -3.729 1.00 0.00 H new ATOM 0 HD1 TRP A 98 1.723 4.543 -4.902 1.00 0.00 H new ATOM 0 HE1 TRP A 98 4.083 4.940 -5.826 1.00 0.00 H new ATOM 0 HE3 TRP A 98 3.189 -0.259 -4.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 6.472 3.365 -5.815 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 5.517 -0.787 -5.568 1.00 0.00 H new ATOM 0 HH2 TRP A 98 7.164 0.989 -5.864 1.00 0.00 H new ATOM 1647 N ILE A 99 -0.646 2.294 -7.067 1.00 0.00 N ATOM 1648 CA ILE A 99 -1.069 3.033 -8.224 1.00 0.00 C ATOM 1649 C ILE A 99 -0.192 4.284 -8.442 1.00 0.00 C ATOM 1650 O ILE A 99 -0.334 5.294 -7.757 1.00 0.00 O ATOM 1651 CB ILE A 99 -2.541 3.397 -7.953 1.00 0.00 C ATOM 1652 CG1 ILE A 99 -2.795 4.217 -6.634 1.00 0.00 C ATOM 1653 CG2 ILE A 99 -3.310 2.055 -7.938 1.00 0.00 C ATOM 1654 CD1 ILE A 99 -3.686 3.551 -5.579 1.00 0.00 C ATOM 0 H ILE A 99 -1.017 2.693 -6.205 1.00 0.00 H new ATOM 0 HA ILE A 99 -0.968 2.452 -9.141 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.886 4.074 -8.734 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -1.830 4.437 -6.177 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -3.244 5.172 -6.906 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -4.367 2.243 -7.749 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -3.196 1.560 -8.902 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -2.910 1.415 -7.152 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.786 4.212 -4.718 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.671 3.357 -6.004 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.235 2.610 -5.264 1.00 0.00 H new ATOM 1666 N GLN A 100 0.735 4.301 -9.435 1.00 0.00 N ATOM 1667 CA GLN A 100 1.504 5.511 -9.767 1.00 0.00 C ATOM 1668 C GLN A 100 1.071 5.994 -11.156 1.00 0.00 C ATOM 1669 O GLN A 100 1.300 5.246 -12.108 1.00 0.00 O ATOM 1670 CB GLN A 100 3.038 5.357 -9.684 1.00 0.00 C ATOM 1671 CG GLN A 100 3.577 6.253 -8.538 1.00 0.00 C ATOM 1672 CD GLN A 100 3.732 7.709 -8.986 1.00 0.00 C ATOM 1673 OE1 GLN A 100 3.320 8.131 -10.064 1.00 0.00 O ATOM 1674 NE2 GLN A 100 4.413 8.520 -8.133 1.00 0.00 N ATOM 0 H GLN A 100 0.961 3.491 -10.012 1.00 0.00 H new ATOM 0 HA GLN A 100 1.274 6.252 -9.002 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.302 4.315 -9.503 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.496 5.642 -10.631 1.00 0.00 H new ATOM 0 HG2 GLN A 100 2.898 6.204 -7.687 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.540 5.871 -8.199 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.749 8.155 -7.242 1.00 0.00 H new ATOM 0 HE22 GLN A 100 4.588 9.493 -8.385 1.00 0.00 H new