USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=16 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 -53:sc= 2.25 USER MOD Set 1.2: A 100 GLN : amide:sc= 0.843 K(o=3.1,f=1) USER MOD Set 2.1: A 20 MET CE :methyl 162:sc= -1.98 (180deg=-2.72!) USER MOD Set 2.2: A 63 MET CE :methyl 164:sc= -0.978 (180deg=-0.787) USER MOD Set 3.1: A 31 HIS : no HD1:sc= -0.956 K(o=-18,f=-23!) USER MOD Set 3.2: A 42 GLN : amide:sc= -2.08 K(o=-18,f=-24!) USER MOD Set 3.3: A 45 MET CE :methyl 144:sc= -3.6 (180deg=-2.34!) USER MOD Set 3.4: A 49 HIS :FLIP no HE2:sc= -11.7! C(o=-21!,f=-18!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -164:sc= 0.484 (180deg=0.344) USER MOD Single : A 30 SER OG : rot 115:sc= 1.12 USER MOD Single : A 32 ASN : amide:sc= 0.914 K(o=0.91,f=-0.19) USER MOD Single : A 36 GLN : amide:sc= 0.269 X(o=0.27,f=-0.00067) USER MOD Single : A 38 ASN : amide:sc= -0.0244 X(o=-0.024,f=-0.19) USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= -0.0691 (180deg=-0.221) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot -27:sc= 0.208 USER MOD Single : A 56 GLN : amide:sc= -0.586 X(o=-0.59,f=-0.82) USER MOD Single : A 58 HIS : no HE2:sc= 0.388 K(o=0.39,f=-1.5) 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 64 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0204) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -55:sc= 0.0516 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 284 N TYR A 18 5.046 10.113 16.509 1.00 0.00 N ATOM 285 CA TYR A 18 6.403 10.617 16.745 1.00 0.00 C ATOM 286 C TYR A 18 7.533 9.651 17.082 1.00 0.00 C ATOM 287 O TYR A 18 8.697 10.014 16.939 1.00 0.00 O ATOM 288 CB TYR A 18 6.397 11.728 17.858 1.00 0.00 C ATOM 289 CG TYR A 18 5.221 12.672 17.670 1.00 0.00 C ATOM 290 CD1 TYR A 18 5.269 13.630 16.668 1.00 0.00 C ATOM 291 CD2 TYR A 18 4.056 12.567 18.428 1.00 0.00 C ATOM 292 CE1 TYR A 18 4.174 14.427 16.393 1.00 0.00 C ATOM 293 CE2 TYR A 18 2.965 13.368 18.151 1.00 0.00 C ATOM 294 CZ TYR A 18 3.015 14.276 17.123 1.00 0.00 C ATOM 295 OH TYR A 18 1.845 14.992 16.806 1.00 0.00 O ATOM 0 HA TYR A 18 6.648 10.970 15.743 1.00 0.00 H new ATOM 0 HB2 TYR A 18 6.342 11.263 18.842 1.00 0.00 H new ATOM 0 HB3 TYR A 18 7.330 12.290 17.822 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.175 13.755 16.094 1.00 0.00 H new ATOM 0 HD2 TYR A 18 4.006 11.854 19.238 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.226 15.167 15.608 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.068 13.279 18.746 1.00 0.00 H new ATOM 0 HH TYR A 18 1.133 14.750 17.434 1.00 0.00 H new ATOM 305 N ASP A 19 7.217 8.406 17.525 1.00 0.00 N ATOM 306 CA ASP A 19 8.185 7.361 17.861 1.00 0.00 C ATOM 307 C ASP A 19 8.603 6.548 16.636 1.00 0.00 C ATOM 308 O ASP A 19 9.555 6.896 15.947 1.00 0.00 O ATOM 309 CB ASP A 19 7.647 6.411 18.971 1.00 0.00 C ATOM 310 CG ASP A 19 7.356 7.218 20.238 1.00 0.00 C ATOM 311 OD1 ASP A 19 8.323 7.773 20.825 1.00 0.00 O ATOM 312 OD2 ASP A 19 6.162 7.286 20.633 1.00 0.00 O ATOM 0 H ASP A 19 6.251 8.106 17.658 1.00 0.00 H new ATOM 0 HA ASP A 19 9.067 7.875 18.243 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.740 5.912 18.629 1.00 0.00 H new ATOM 0 HB3 ASP A 19 8.379 5.632 19.184 1.00 0.00 H new ATOM 317 N MET A 20 7.892 5.422 16.345 1.00 0.00 N ATOM 318 CA MET A 20 8.118 4.466 15.261 1.00 0.00 C ATOM 319 C MET A 20 7.683 4.860 13.858 1.00 0.00 C ATOM 320 O MET A 20 8.231 4.342 12.896 1.00 0.00 O ATOM 321 CB MET A 20 7.853 2.956 15.691 1.00 0.00 C ATOM 322 CG MET A 20 7.185 1.960 14.706 1.00 0.00 C ATOM 323 SD MET A 20 8.341 0.749 13.984 1.00 0.00 S ATOM 324 CE MET A 20 9.565 1.826 13.173 1.00 0.00 C ATOM 0 H MET A 20 7.089 5.154 16.914 1.00 0.00 H new ATOM 0 HA MET A 20 9.195 4.529 15.104 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.815 2.530 15.976 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.237 2.981 16.590 1.00 0.00 H new ATOM 0 HG2 MET A 20 6.392 1.424 15.228 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.713 2.522 13.900 1.00 0.00 H new ATOM 0 HE1 MET A 20 10.474 1.259 12.975 1.00 0.00 H new ATOM 0 HE2 MET A 20 9.157 2.197 12.233 1.00 0.00 H new ATOM 0 HE3 MET A 20 9.797 2.668 13.825 1.00 0.00 H new ATOM 334 N VAL A 21 6.694 5.760 13.602 1.00 0.00 N ATOM 335 CA VAL A 21 6.308 6.045 12.166 1.00 0.00 C ATOM 336 C VAL A 21 7.298 6.843 11.349 1.00 0.00 C ATOM 337 O VAL A 21 7.388 6.639 10.142 1.00 0.00 O ATOM 338 CB VAL A 21 4.875 6.511 11.867 1.00 0.00 C ATOM 339 CG1 VAL A 21 3.905 5.731 12.774 1.00 0.00 C ATOM 340 CG2 VAL A 21 4.713 8.054 11.965 1.00 0.00 C ATOM 0 H VAL A 21 6.172 6.277 14.309 1.00 0.00 H new ATOM 0 HA VAL A 21 6.345 5.011 11.823 1.00 0.00 H new ATOM 0 HB VAL A 21 4.631 6.287 10.829 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.882 6.051 12.573 1.00 0.00 H new ATOM 0 HG12 VAL A 21 3.997 4.664 12.573 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.148 5.926 13.819 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.681 8.326 11.744 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.967 8.383 12.972 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.377 8.536 11.247 1.00 0.00 H new ATOM 350 N VAL A 22 8.051 7.785 11.980 1.00 0.00 N ATOM 351 CA VAL A 22 8.999 8.714 11.351 1.00 0.00 C ATOM 352 C VAL A 22 10.077 8.105 10.422 1.00 0.00 C ATOM 353 O VAL A 22 10.333 8.648 9.351 1.00 0.00 O ATOM 354 CB VAL A 22 9.629 9.617 12.415 1.00 0.00 C ATOM 355 CG1 VAL A 22 10.542 10.699 11.796 1.00 0.00 C ATOM 356 CG2 VAL A 22 8.512 10.294 13.240 1.00 0.00 C ATOM 0 H VAL A 22 8.002 7.914 12.991 1.00 0.00 H new ATOM 0 HA VAL A 22 8.387 9.292 10.659 1.00 0.00 H new ATOM 0 HB VAL A 22 10.249 8.991 13.056 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.966 11.315 12.589 1.00 0.00 H new ATOM 0 HG12 VAL A 22 11.347 10.220 11.239 1.00 0.00 H new ATOM 0 HG13 VAL A 22 9.958 11.326 11.123 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.959 10.937 13.998 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.884 10.893 12.580 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.904 9.530 13.725 1.00 0.00 H new ATOM 366 N LYS A 23 10.713 6.943 10.753 1.00 0.00 N ATOM 367 CA LYS A 23 11.644 6.236 9.853 1.00 0.00 C ATOM 368 C LYS A 23 11.009 5.477 8.693 1.00 0.00 C ATOM 369 O LYS A 23 11.634 5.199 7.672 1.00 0.00 O ATOM 370 CB LYS A 23 12.595 5.305 10.640 1.00 0.00 C ATOM 371 CG LYS A 23 11.898 4.155 11.393 1.00 0.00 C ATOM 372 CD LYS A 23 12.265 4.139 12.878 1.00 0.00 C ATOM 373 CE LYS A 23 11.550 5.250 13.651 1.00 0.00 C ATOM 374 NZ LYS A 23 11.814 5.109 15.099 1.00 0.00 N ATOM 0 H LYS A 23 10.587 6.479 11.653 1.00 0.00 H new ATOM 0 HA LYS A 23 12.207 7.044 9.386 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.320 4.879 9.946 1.00 0.00 H new ATOM 0 HB3 LYS A 23 13.155 5.904 11.358 1.00 0.00 H new ATOM 0 HG2 LYS A 23 10.818 4.254 11.287 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.176 3.203 10.940 1.00 0.00 H new ATOM 0 HD2 LYS A 23 12.004 3.172 13.307 1.00 0.00 H new ATOM 0 HD3 LYS A 23 13.343 4.256 12.987 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.893 6.225 13.304 1.00 0.00 H new ATOM 0 HE3 LYS A 23 10.477 5.203 13.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.128 5.679 15.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.722 4.110 15.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.777 5.439 15.310 1.00 0.00 H new ATOM 388 N ILE A 24 9.718 5.101 8.848 1.00 0.00 N ATOM 389 CA ILE A 24 8.922 4.322 7.904 1.00 0.00 C ATOM 390 C ILE A 24 8.403 5.021 6.707 1.00 0.00 C ATOM 391 O ILE A 24 8.331 4.430 5.646 1.00 0.00 O ATOM 392 CB ILE A 24 7.917 3.388 8.548 1.00 0.00 C ATOM 393 CG1 ILE A 24 8.326 1.897 8.249 1.00 0.00 C ATOM 394 CG2 ILE A 24 6.453 3.856 8.247 1.00 0.00 C ATOM 395 CD1 ILE A 24 9.741 1.544 8.667 1.00 0.00 C ATOM 0 H ILE A 24 9.187 5.352 9.682 1.00 0.00 H new ATOM 0 HA ILE A 24 9.692 3.682 7.472 1.00 0.00 H new ATOM 0 HB ILE A 24 7.933 3.431 9.637 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.631 1.232 8.762 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.217 1.710 7.181 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.748 3.171 8.719 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.303 4.861 8.643 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.287 3.862 7.170 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.942 0.500 8.426 1.00 0.00 H new ATOM 0 HD12 ILE A 24 10.447 2.182 8.135 1.00 0.00 H new ATOM 0 HD13 ILE A 24 9.852 1.696 9.741 1.00 0.00 H new ATOM 407 N ILE A 25 8.014 6.316 6.807 1.00 0.00 N ATOM 408 CA ILE A 25 7.543 7.214 5.733 1.00 0.00 C ATOM 409 C ILE A 25 8.543 7.322 4.565 1.00 0.00 C ATOM 410 O ILE A 25 8.183 7.422 3.390 1.00 0.00 O ATOM 411 CB ILE A 25 6.918 8.486 6.307 1.00 0.00 C ATOM 412 CG1 ILE A 25 7.914 9.273 7.204 1.00 0.00 C ATOM 413 CG2 ILE A 25 5.640 8.027 7.063 1.00 0.00 C ATOM 414 CD1 ILE A 25 7.277 10.076 8.348 1.00 0.00 C ATOM 0 H ILE A 25 8.023 6.792 7.709 1.00 0.00 H new ATOM 0 HA ILE A 25 6.696 6.769 5.211 1.00 0.00 H new ATOM 0 HB ILE A 25 6.658 9.195 5.521 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.627 8.568 7.631 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.481 9.958 6.574 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.144 8.894 7.499 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.962 7.534 6.366 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.916 7.331 7.855 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.057 10.587 8.912 1.00 0.00 H new ATOM 0 HD12 ILE A 25 6.586 10.812 7.936 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.735 9.400 9.009 1.00 0.00 H new ATOM 426 N ASP A 26 9.854 7.136 4.927 1.00 0.00 N ATOM 427 CA ASP A 26 10.979 6.818 4.042 1.00 0.00 C ATOM 428 C ASP A 26 10.846 5.491 3.220 1.00 0.00 C ATOM 429 O ASP A 26 11.518 5.367 2.200 1.00 0.00 O ATOM 430 CB ASP A 26 12.331 6.859 4.823 1.00 0.00 C ATOM 431 CG ASP A 26 13.551 7.090 3.917 1.00 0.00 C ATOM 432 OD1 ASP A 26 13.594 8.155 3.245 1.00 0.00 O ATOM 433 OD2 ASP A 26 14.446 6.205 3.890 1.00 0.00 O ATOM 0 H ASP A 26 10.148 7.213 5.901 1.00 0.00 H new ATOM 0 HA ASP A 26 10.961 7.605 3.288 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.287 7.652 5.570 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.460 5.920 5.362 1.00 0.00 H new ATOM 438 N VAL A 27 9.944 4.490 3.563 1.00 0.00 N ATOM 439 CA VAL A 27 9.585 3.309 2.733 1.00 0.00 C ATOM 440 C VAL A 27 8.779 3.779 1.509 1.00 0.00 C ATOM 441 O VAL A 27 9.165 3.549 0.366 1.00 0.00 O ATOM 442 CB VAL A 27 8.855 2.080 3.417 1.00 0.00 C ATOM 443 CG1 VAL A 27 9.658 1.450 4.560 1.00 0.00 C ATOM 444 CG2 VAL A 27 7.414 2.240 3.937 1.00 0.00 C ATOM 0 H VAL A 27 9.445 4.503 4.452 1.00 0.00 H new ATOM 0 HA VAL A 27 10.557 2.886 2.479 1.00 0.00 H new ATOM 0 HB VAL A 27 8.788 1.445 2.533 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.098 0.615 4.981 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.613 1.090 4.178 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.835 2.196 5.335 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.078 1.299 4.372 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.386 3.022 4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.757 2.513 3.111 1.00 0.00 H new ATOM 454 N LEU A 28 7.651 4.538 1.686 1.00 0.00 N ATOM 455 CA LEU A 28 6.756 4.974 0.618 1.00 0.00 C ATOM 456 C LEU A 28 7.297 6.048 -0.327 1.00 0.00 C ATOM 457 O LEU A 28 7.381 5.734 -1.512 1.00 0.00 O ATOM 458 CB LEU A 28 5.378 5.432 1.205 1.00 0.00 C ATOM 459 CG LEU A 28 4.549 4.385 2.015 1.00 0.00 C ATOM 460 CD1 LEU A 28 4.819 2.931 1.562 1.00 0.00 C ATOM 461 CD2 LEU A 28 4.575 4.586 3.555 1.00 0.00 C ATOM 0 H LEU A 28 7.352 4.859 2.607 1.00 0.00 H new ATOM 0 HA LEU A 28 6.645 4.086 -0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.558 6.290 1.852 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.760 5.781 0.377 1.00 0.00 H new ATOM 0 HG LEU A 28 3.510 4.587 1.756 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.217 2.246 2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.556 2.823 0.510 1.00 0.00 H new ATOM 0 HD13 LEU A 28 5.875 2.698 1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.973 3.813 4.033 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.602 4.519 3.913 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.168 5.567 3.801 1.00 0.00 H new ATOM 473 N ARG A 29 7.799 7.233 0.166 1.00 0.00 N ATOM 474 CA ARG A 29 8.481 8.369 -0.521 1.00 0.00 C ATOM 475 C ARG A 29 9.679 8.011 -1.413 1.00 0.00 C ATOM 476 O ARG A 29 10.015 8.717 -2.355 1.00 0.00 O ATOM 477 CB ARG A 29 8.845 9.448 0.526 1.00 0.00 C ATOM 478 CG ARG A 29 9.140 10.846 -0.044 1.00 0.00 C ATOM 479 CD ARG A 29 9.307 11.907 1.056 1.00 0.00 C ATOM 480 NE ARG A 29 9.552 13.255 0.427 1.00 0.00 N ATOM 481 CZ ARG A 29 8.556 14.109 0.030 1.00 0.00 C ATOM 482 NH1 ARG A 29 7.240 13.785 0.191 1.00 0.00 N ATOM 483 NH2 ARG A 29 8.889 15.306 -0.537 1.00 0.00 N ATOM 0 H ARG A 29 7.722 7.427 1.164 1.00 0.00 H new ATOM 0 HA ARG A 29 7.758 8.753 -1.241 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.024 9.530 1.239 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.718 9.110 1.083 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.048 10.805 -0.646 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.329 11.142 -0.710 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.414 11.943 1.679 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.140 11.642 1.707 1.00 0.00 H new ATOM 0 HE ARG A 29 10.519 13.550 0.288 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.982 12.893 0.614 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.514 14.435 -0.111 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.870 15.556 -0.661 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.157 15.950 -0.836 1.00 0.00 H new ATOM 497 N SER A 30 10.352 6.892 -1.086 1.00 0.00 N ATOM 498 CA SER A 30 11.540 6.307 -1.742 1.00 0.00 C ATOM 499 C SER A 30 11.203 5.594 -3.036 1.00 0.00 C ATOM 500 O SER A 30 11.763 5.893 -4.084 1.00 0.00 O ATOM 501 CB SER A 30 12.354 5.344 -0.831 1.00 0.00 C ATOM 502 OG SER A 30 12.977 6.071 0.224 1.00 0.00 O ATOM 0 H SER A 30 10.056 6.326 -0.291 1.00 0.00 H new ATOM 0 HA SER A 30 12.167 7.171 -1.961 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.695 4.581 -0.417 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.110 4.826 -1.421 1.00 0.00 H new ATOM 0 HG SER A 30 12.603 5.785 1.084 1.00 0.00 H new ATOM 508 N HIS A 31 10.203 4.661 -3.015 1.00 0.00 N ATOM 509 CA HIS A 31 9.601 3.933 -4.132 1.00 0.00 C ATOM 510 C HIS A 31 8.874 4.864 -5.087 1.00 0.00 C ATOM 511 O HIS A 31 8.842 4.691 -6.291 1.00 0.00 O ATOM 512 CB HIS A 31 8.578 2.909 -3.594 1.00 0.00 C ATOM 513 CG HIS A 31 9.148 2.052 -2.509 1.00 0.00 C ATOM 514 ND1 HIS A 31 8.355 1.402 -1.597 1.00 0.00 N ATOM 515 CD2 HIS A 31 10.433 1.814 -2.123 1.00 0.00 C ATOM 516 CE1 HIS A 31 9.182 0.827 -0.698 1.00 0.00 C ATOM 517 NE2 HIS A 31 10.455 1.043 -0.977 1.00 0.00 N ATOM 0 H HIS A 31 9.774 4.390 -2.130 1.00 0.00 H new ATOM 0 HA HIS A 31 10.410 3.437 -4.668 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.704 3.438 -3.214 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.237 2.275 -4.413 1.00 0.00 H new ATOM 0 HD2 HIS A 31 11.309 2.177 -2.640 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.841 0.255 0.153 1.00 0.00 H new ATOM 0 HE2 HIS A 31 11.271 0.714 -0.462 1.00 0.00 H new ATOM 525 N ASN A 32 8.314 5.944 -4.504 1.00 0.00 N ATOM 526 CA ASN A 32 7.612 7.092 -5.032 1.00 0.00 C ATOM 527 C ASN A 32 8.321 7.915 -6.110 1.00 0.00 C ATOM 528 O ASN A 32 7.692 8.429 -7.025 1.00 0.00 O ATOM 529 CB ASN A 32 7.126 7.847 -3.776 1.00 0.00 C ATOM 530 CG ASN A 32 5.635 7.597 -3.626 1.00 0.00 C ATOM 531 OD1 ASN A 32 4.769 8.376 -4.014 1.00 0.00 O ATOM 532 ND2 ASN A 32 5.363 6.351 -3.140 1.00 0.00 N ATOM 0 H ASN A 32 8.364 6.022 -3.488 1.00 0.00 H new ATOM 0 HA ASN A 32 6.775 6.785 -5.658 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.661 7.500 -2.892 1.00 0.00 H new ATOM 0 HB3 ASN A 32 7.326 8.914 -3.872 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.398 6.024 -3.085 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.124 5.746 -2.832 1.00 0.00 H new ATOM 539 N GLU A 33 9.672 8.001 -6.094 1.00 0.00 N ATOM 540 CA GLU A 33 10.511 8.577 -7.146 1.00 0.00 C ATOM 541 C GLU A 33 10.612 7.716 -8.413 1.00 0.00 C ATOM 542 O GLU A 33 10.544 8.181 -9.548 1.00 0.00 O ATOM 543 CB GLU A 33 11.918 8.843 -6.542 1.00 0.00 C ATOM 544 CG GLU A 33 11.878 9.711 -5.265 1.00 0.00 C ATOM 545 CD GLU A 33 13.282 10.118 -4.808 1.00 0.00 C ATOM 546 OE1 GLU A 33 14.280 9.730 -5.470 1.00 0.00 O ATOM 547 OE2 GLU A 33 13.366 10.833 -3.772 1.00 0.00 O ATOM 0 H GLU A 33 10.221 7.653 -5.308 1.00 0.00 H new ATOM 0 HA GLU A 33 10.041 9.502 -7.479 1.00 0.00 H new ATOM 0 HB2 GLU A 33 12.393 7.890 -6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 33 12.540 9.336 -7.289 1.00 0.00 H new ATOM 0 HG2 GLU A 33 11.283 10.605 -5.452 1.00 0.00 H new ATOM 0 HG3 GLU A 33 11.382 9.160 -4.466 1.00 0.00 H new ATOM 554 N ALA A 34 10.757 6.390 -8.186 1.00 0.00 N ATOM 555 CA ALA A 34 10.734 5.297 -9.130 1.00 0.00 C ATOM 556 C ALA A 34 9.336 4.981 -9.660 1.00 0.00 C ATOM 557 O ALA A 34 9.158 4.405 -10.724 1.00 0.00 O ATOM 558 CB ALA A 34 11.556 4.115 -8.617 1.00 0.00 C ATOM 0 H ALA A 34 10.907 6.047 -7.237 1.00 0.00 H new ATOM 0 HA ALA A 34 11.245 5.613 -10.039 1.00 0.00 H new ATOM 0 HB1 ALA A 34 11.523 3.305 -9.346 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.590 4.428 -8.469 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.143 3.768 -7.670 1.00 0.00 H new ATOM 564 N CYS A 35 8.246 5.310 -8.901 1.00 0.00 N ATOM 565 CA CYS A 35 6.849 5.103 -9.288 1.00 0.00 C ATOM 566 C CYS A 35 6.425 5.823 -10.581 1.00 0.00 C ATOM 567 O CYS A 35 5.705 5.264 -11.390 1.00 0.00 O ATOM 568 CB CYS A 35 5.815 5.311 -8.123 1.00 0.00 C ATOM 569 SG CYS A 35 5.146 6.999 -7.802 1.00 0.00 S ATOM 0 H CYS A 35 8.338 5.738 -7.980 1.00 0.00 H new ATOM 0 HA CYS A 35 6.819 4.040 -9.526 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.967 4.654 -8.316 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.284 4.964 -7.202 1.00 0.00 H new ATOM 0 HG CYS A 35 6.130 7.834 -7.650 1.00 0.00 H new ATOM 575 N GLN A 36 6.907 7.082 -10.842 1.00 0.00 N ATOM 576 CA GLN A 36 6.665 7.903 -12.059 1.00 0.00 C ATOM 577 C GLN A 36 7.316 7.352 -13.335 1.00 0.00 C ATOM 578 O GLN A 36 7.185 7.849 -14.451 1.00 0.00 O ATOM 579 CB GLN A 36 6.921 9.431 -11.872 1.00 0.00 C ATOM 580 CG GLN A 36 8.310 9.858 -11.346 1.00 0.00 C ATOM 581 CD GLN A 36 9.387 9.883 -12.432 1.00 0.00 C ATOM 582 OE1 GLN A 36 9.414 10.732 -13.331 1.00 0.00 O ATOM 583 NE2 GLN A 36 10.336 8.927 -12.307 1.00 0.00 N ATOM 0 H GLN A 36 7.503 7.567 -10.171 1.00 0.00 H new ATOM 0 HA GLN A 36 5.590 7.805 -12.211 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.759 9.920 -12.833 1.00 0.00 H new ATOM 0 HB3 GLN A 36 6.167 9.818 -11.186 1.00 0.00 H new ATOM 0 HG2 GLN A 36 8.232 10.849 -10.898 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.617 9.174 -10.555 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.277 8.245 -11.551 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.111 8.888 -12.969 1.00 0.00 H new ATOM 592 N GLU A 37 8.173 6.355 -13.092 1.00 0.00 N ATOM 593 CA GLU A 37 9.082 5.716 -14.010 1.00 0.00 C ATOM 594 C GLU A 37 8.649 4.305 -14.285 1.00 0.00 C ATOM 595 O GLU A 37 8.529 3.882 -15.432 1.00 0.00 O ATOM 596 CB GLU A 37 10.503 5.804 -13.374 1.00 0.00 C ATOM 597 CG GLU A 37 11.333 4.543 -13.064 1.00 0.00 C ATOM 598 CD GLU A 37 12.785 4.935 -12.799 1.00 0.00 C ATOM 599 OE1 GLU A 37 13.013 5.810 -11.920 1.00 0.00 O ATOM 600 OE2 GLU A 37 13.687 4.368 -13.469 1.00 0.00 O ATOM 0 H GLU A 37 8.243 5.948 -12.159 1.00 0.00 H new ATOM 0 HA GLU A 37 9.091 6.212 -14.981 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.107 6.424 -14.036 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.396 6.349 -12.436 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.921 4.029 -12.196 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.281 3.847 -13.901 1.00 0.00 H new ATOM 607 N ASN A 38 8.350 3.555 -13.214 1.00 0.00 N ATOM 608 CA ASN A 38 7.877 2.192 -13.293 1.00 0.00 C ATOM 609 C ASN A 38 6.641 2.274 -12.450 1.00 0.00 C ATOM 610 O ASN A 38 6.721 2.470 -11.240 1.00 0.00 O ATOM 611 CB ASN A 38 8.836 1.115 -12.723 1.00 0.00 C ATOM 612 CG ASN A 38 10.272 1.286 -13.232 1.00 0.00 C ATOM 613 OD1 ASN A 38 10.566 1.423 -14.421 1.00 0.00 O ATOM 614 ND2 ASN A 38 11.204 1.251 -12.237 1.00 0.00 N ATOM 0 H ASN A 38 8.437 3.898 -12.257 1.00 0.00 H new ATOM 0 HA ASN A 38 7.750 1.873 -14.328 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.830 1.166 -11.634 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.471 0.125 -12.997 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.195 1.340 -12.463 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.910 1.136 -11.267 1.00 0.00 H new ATOM 621 N LYS A 39 5.470 2.157 -13.123 1.00 0.00 N ATOM 622 CA LYS A 39 4.059 2.279 -12.749 1.00 0.00 C ATOM 623 C LYS A 39 3.712 1.791 -11.362 1.00 0.00 C ATOM 624 O LYS A 39 3.214 2.450 -10.464 1.00 0.00 O ATOM 625 CB LYS A 39 3.179 1.666 -13.887 1.00 0.00 C ATOM 626 CG LYS A 39 3.420 0.188 -14.288 1.00 0.00 C ATOM 627 CD LYS A 39 2.571 -0.816 -13.486 1.00 0.00 C ATOM 628 CE LYS A 39 1.214 -1.159 -14.121 1.00 0.00 C ATOM 629 NZ LYS A 39 0.257 -0.030 -14.050 1.00 0.00 N ATOM 0 H LYS A 39 5.521 1.935 -14.117 1.00 0.00 H new ATOM 0 HA LYS A 39 3.832 3.342 -12.663 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.135 1.763 -13.589 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.314 2.279 -14.778 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.202 0.068 -15.349 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.475 -0.050 -14.150 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.142 -1.736 -13.362 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.398 -0.411 -12.489 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.364 -1.440 -15.163 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.788 -2.026 -13.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.688 -0.358 -14.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.220 0.333 -13.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.567 0.728 -14.691 1.00 0.00 H new ATOM 643 N ASP A 40 4.104 0.552 -11.137 1.00 0.00 N ATOM 644 CA ASP A 40 3.992 -0.080 -9.877 1.00 0.00 C ATOM 645 C ASP A 40 5.245 -0.953 -9.823 1.00 0.00 C ATOM 646 O ASP A 40 5.187 -2.156 -10.044 1.00 0.00 O ATOM 647 CB ASP A 40 2.674 -0.951 -9.681 1.00 0.00 C ATOM 648 CG ASP A 40 1.252 -0.447 -10.046 1.00 0.00 C ATOM 649 OD1 ASP A 40 1.060 0.577 -10.743 1.00 0.00 O ATOM 650 OD2 ASP A 40 0.306 -1.173 -9.629 1.00 0.00 O ATOM 0 H ASP A 40 4.517 -0.041 -11.857 1.00 0.00 H new ATOM 0 HA ASP A 40 3.914 0.655 -9.076 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.828 -1.871 -10.245 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.641 -1.225 -8.627 1.00 0.00 H new ATOM 655 N LEU A 41 6.412 -0.377 -9.399 1.00 0.00 N ATOM 656 CA LEU A 41 7.627 -1.118 -8.973 1.00 0.00 C ATOM 657 C LEU A 41 7.468 -1.965 -7.669 1.00 0.00 C ATOM 658 O LEU A 41 8.165 -2.942 -7.392 1.00 0.00 O ATOM 659 CB LEU A 41 8.855 -0.214 -8.820 1.00 0.00 C ATOM 660 CG LEU A 41 8.857 0.710 -7.591 1.00 0.00 C ATOM 661 CD1 LEU A 41 10.316 1.011 -7.259 1.00 0.00 C ATOM 662 CD2 LEU A 41 7.987 1.932 -7.869 1.00 0.00 C ATOM 0 H LEU A 41 6.529 0.635 -9.346 1.00 0.00 H new ATOM 0 HA LEU A 41 7.778 -1.815 -9.798 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.744 -0.844 -8.779 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.943 0.402 -9.715 1.00 0.00 H new ATOM 0 HG LEU A 41 8.413 0.251 -6.708 1.00 0.00 H new ATOM 0 HD11 LEU A 41 10.364 1.666 -6.389 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.839 0.080 -7.041 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.789 1.502 -8.110 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.989 2.586 -6.997 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.383 2.472 -8.729 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.967 1.612 -8.080 1.00 0.00 H new ATOM 674 N GLN A 42 6.435 -1.562 -6.893 1.00 0.00 N ATOM 675 CA GLN A 42 5.737 -1.948 -5.705 1.00 0.00 C ATOM 676 C GLN A 42 4.451 -2.705 -6.108 1.00 0.00 C ATOM 677 O GLN A 42 3.449 -2.375 -5.463 1.00 0.00 O ATOM 678 CB GLN A 42 5.462 -0.684 -4.828 1.00 0.00 C ATOM 679 CG GLN A 42 5.307 -0.961 -3.312 1.00 0.00 C ATOM 680 CD GLN A 42 5.482 0.265 -2.409 1.00 0.00 C ATOM 681 OE1 GLN A 42 5.744 0.161 -1.211 1.00 0.00 O ATOM 682 NE2 GLN A 42 5.372 1.488 -2.967 1.00 0.00 N ATOM 0 H GLN A 42 5.972 -0.713 -7.218 1.00 0.00 H new ATOM 0 HA GLN A 42 6.335 -2.625 -5.096 1.00 0.00 H new ATOM 0 HB2 GLN A 42 6.278 0.024 -4.971 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.554 -0.201 -5.189 1.00 0.00 H new ATOM 0 HG2 GLN A 42 4.319 -1.386 -3.135 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.036 -1.716 -3.019 1.00 0.00 H new ATOM 0 HE21 GLN A 42 5.155 1.578 -3.960 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.506 2.323 -2.396 1.00 0.00 H new ATOM 691 N PRO A 43 4.280 -3.603 -7.182 1.00 0.00 N ATOM 692 CA PRO A 43 3.001 -4.088 -7.756 1.00 0.00 C ATOM 693 C PRO A 43 2.104 -4.728 -6.691 1.00 0.00 C ATOM 694 O PRO A 43 0.899 -4.536 -6.773 1.00 0.00 O ATOM 695 CB PRO A 43 3.420 -5.103 -8.838 1.00 0.00 C ATOM 696 CG PRO A 43 4.744 -5.664 -8.331 1.00 0.00 C ATOM 697 CD PRO A 43 5.378 -4.405 -7.743 1.00 0.00 C ATOM 0 HA PRO A 43 2.405 -3.274 -8.169 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.674 -5.889 -8.957 1.00 0.00 H new ATOM 0 HB3 PRO A 43 3.537 -4.624 -9.810 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.603 -6.444 -7.583 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.345 -6.095 -9.132 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.104 -4.661 -6.971 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.913 -3.846 -8.511 1.00 0.00 H new ATOM 705 N TYR A 44 2.727 -5.402 -5.676 1.00 0.00 N ATOM 706 CA TYR A 44 2.190 -5.954 -4.450 1.00 0.00 C ATOM 707 C TYR A 44 3.379 -6.130 -3.478 1.00 0.00 C ATOM 708 O TYR A 44 4.432 -6.576 -3.927 1.00 0.00 O ATOM 709 CB TYR A 44 1.537 -7.379 -4.638 1.00 0.00 C ATOM 710 CG TYR A 44 0.544 -7.485 -5.794 1.00 0.00 C ATOM 711 CD1 TYR A 44 -0.649 -6.766 -5.777 1.00 0.00 C ATOM 712 CD2 TYR A 44 0.795 -8.277 -6.918 1.00 0.00 C ATOM 713 CE1 TYR A 44 -1.550 -6.836 -6.825 1.00 0.00 C ATOM 714 CE2 TYR A 44 -0.096 -8.323 -7.971 1.00 0.00 C ATOM 715 CZ TYR A 44 -1.269 -7.615 -7.920 1.00 0.00 C ATOM 716 OH TYR A 44 -2.178 -7.701 -8.990 1.00 0.00 O ATOM 0 H TYR A 44 3.731 -5.576 -5.732 1.00 0.00 H new ATOM 0 HA TYR A 44 1.415 -5.277 -4.091 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.332 -8.109 -4.793 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.027 -7.654 -3.714 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.876 -6.140 -4.927 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.701 -8.863 -6.963 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.474 -6.278 -6.782 1.00 0.00 H new ATOM 0 HE2 TYR A 44 0.132 -8.921 -8.841 1.00 0.00 H new ATOM 0 HH TYR A 44 -1.816 -8.296 -9.680 1.00 0.00 H new ATOM 726 N MET A 45 3.237 -5.813 -2.162 1.00 0.00 N ATOM 727 CA MET A 45 4.234 -5.957 -1.084 1.00 0.00 C ATOM 728 C MET A 45 3.507 -6.364 0.236 1.00 0.00 C ATOM 729 O MET A 45 2.416 -5.847 0.450 1.00 0.00 O ATOM 730 CB MET A 45 5.050 -4.628 -0.911 1.00 0.00 C ATOM 731 CG MET A 45 6.097 -4.388 -2.030 1.00 0.00 C ATOM 732 SD MET A 45 7.793 -3.954 -1.486 1.00 0.00 S ATOM 733 CE MET A 45 7.685 -2.206 -0.988 1.00 0.00 C ATOM 0 H MET A 45 2.362 -5.425 -1.811 1.00 0.00 H new ATOM 0 HA MET A 45 4.946 -6.741 -1.342 1.00 0.00 H new ATOM 0 HB2 MET A 45 4.357 -3.787 -0.888 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.559 -4.648 0.052 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.155 -5.289 -2.641 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.731 -3.589 -2.674 1.00 0.00 H new ATOM 0 HE1 MET A 45 8.334 -2.031 -0.130 1.00 0.00 H new ATOM 0 HE2 MET A 45 8.000 -1.572 -1.816 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.656 -1.967 -0.719 1.00 0.00 H new ATOM 743 N PRO A 46 3.932 -7.256 1.178 1.00 0.00 N ATOM 744 CA PRO A 46 3.162 -7.633 2.397 1.00 0.00 C ATOM 745 C PRO A 46 2.962 -6.510 3.461 1.00 0.00 C ATOM 746 O PRO A 46 3.659 -5.507 3.427 1.00 0.00 O ATOM 747 CB PRO A 46 4.027 -8.796 2.977 1.00 0.00 C ATOM 748 CG PRO A 46 5.460 -8.569 2.456 1.00 0.00 C ATOM 749 CD PRO A 46 5.169 -8.041 1.042 1.00 0.00 C ATOM 0 HA PRO A 46 2.133 -7.882 2.140 1.00 0.00 H new ATOM 0 HB2 PRO A 46 4.004 -8.792 4.067 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.644 -9.764 2.654 1.00 0.00 H new ATOM 0 HG2 PRO A 46 6.011 -7.849 3.061 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.046 -9.488 2.442 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.989 -7.425 0.674 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.042 -8.859 0.333 1.00 0.00 H new ATOM 757 N ILE A 47 2.077 -6.654 4.497 1.00 0.00 N ATOM 758 CA ILE A 47 1.928 -5.699 5.646 1.00 0.00 C ATOM 759 C ILE A 47 3.231 -5.609 6.497 1.00 0.00 C ATOM 760 O ILE A 47 3.734 -4.521 6.771 1.00 0.00 O ATOM 761 CB ILE A 47 0.599 -5.833 6.408 1.00 0.00 C ATOM 762 CG1 ILE A 47 -0.551 -5.620 5.385 1.00 0.00 C ATOM 763 CG2 ILE A 47 0.518 -4.813 7.573 1.00 0.00 C ATOM 764 CD1 ILE A 47 -1.959 -5.710 5.987 1.00 0.00 C ATOM 0 H ILE A 47 1.439 -7.447 4.559 1.00 0.00 H new ATOM 0 HA ILE A 47 1.821 -4.697 5.230 1.00 0.00 H new ATOM 0 HB ILE A 47 0.518 -6.822 6.859 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.430 -4.642 4.919 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.459 -6.364 4.593 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.432 -4.931 8.094 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.338 -4.990 8.269 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.591 -3.801 7.176 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.700 -5.549 5.204 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.104 -6.697 6.427 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.074 -4.948 6.758 1.00 0.00 H new ATOM 776 N PRO A 48 3.861 -6.735 6.875 1.00 0.00 N ATOM 777 CA PRO A 48 5.285 -6.888 7.126 1.00 0.00 C ATOM 778 C PRO A 48 6.313 -6.375 6.057 1.00 0.00 C ATOM 779 O PRO A 48 7.485 -6.398 6.392 1.00 0.00 O ATOM 780 CB PRO A 48 5.512 -8.185 7.920 1.00 0.00 C ATOM 781 CG PRO A 48 4.105 -8.781 8.058 1.00 0.00 C ATOM 782 CD PRO A 48 3.226 -8.039 7.026 1.00 0.00 C ATOM 0 HA PRO A 48 5.628 -6.088 7.782 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.184 -8.863 7.394 1.00 0.00 H new ATOM 0 HB3 PRO A 48 5.959 -7.985 8.894 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.115 -9.853 7.863 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.720 -8.644 9.069 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.190 -8.575 6.078 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.199 -7.942 7.377 1.00 0.00 H new ATOM 790 N HIS A 49 6.047 -6.021 4.746 1.00 0.00 N ATOM 791 CA HIS A 49 7.058 -5.555 3.728 1.00 0.00 C ATOM 792 C HIS A 49 7.905 -4.394 4.166 1.00 0.00 C ATOM 793 O HIS A 49 9.119 -4.364 4.004 1.00 0.00 O ATOM 794 CB HIS A 49 6.427 -5.085 2.369 1.00 0.00 C ATOM 795 CG HIS A 49 5.898 -3.673 2.105 1.00 0.00 C ATOM 796 ND1 HIS A 49 4.634 -3.203 1.885 1.00 0.00 N flip ATOM 797 CD2 HIS A 49 6.727 -2.603 1.849 1.00 0.00 C flip ATOM 798 CE1 HIS A 49 4.663 -1.858 1.554 1.00 0.00 C flip ATOM 799 NE2 HIS A 49 5.944 -1.540 1.554 1.00 0.00 N flip ATOM 0 H HIS A 49 5.102 -6.054 4.364 1.00 0.00 H new ATOM 0 HA HIS A 49 7.659 -6.457 3.609 1.00 0.00 H new ATOM 0 HB2 HIS A 49 7.180 -5.274 1.604 1.00 0.00 H new ATOM 0 HB3 HIS A 49 5.596 -5.762 2.171 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.786 -3.765 1.955 1.00 0.00 H new ATOM 0 HD2 HIS A 49 7.807 -2.611 1.878 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.823 -1.213 1.343 1.00 0.00 H new ATOM 807 N VAL A 50 7.212 -3.438 4.831 1.00 0.00 N ATOM 808 CA VAL A 50 7.734 -2.270 5.530 1.00 0.00 C ATOM 809 C VAL A 50 8.512 -2.664 6.790 1.00 0.00 C ATOM 810 O VAL A 50 9.512 -2.031 7.104 1.00 0.00 O ATOM 811 CB VAL A 50 6.818 -1.054 5.589 1.00 0.00 C ATOM 812 CG1 VAL A 50 5.931 -0.936 4.357 1.00 0.00 C ATOM 813 CG2 VAL A 50 6.063 -0.817 6.873 1.00 0.00 C ATOM 0 H VAL A 50 6.194 -3.480 4.889 1.00 0.00 H new ATOM 0 HA VAL A 50 8.496 -1.831 4.886 1.00 0.00 H new ATOM 0 HB VAL A 50 7.526 -0.226 5.584 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.297 -0.054 4.448 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.554 -0.845 3.467 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.306 -1.825 4.273 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.451 0.080 6.775 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.421 -1.673 7.081 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.770 -0.686 7.692 1.00 0.00 H new ATOM 823 N ARG A 51 8.126 -3.801 7.483 1.00 0.00 N ATOM 824 CA ARG A 51 8.884 -4.532 8.518 1.00 0.00 C ATOM 825 C ARG A 51 10.286 -4.995 8.107 1.00 0.00 C ATOM 826 O ARG A 51 11.166 -5.121 8.953 1.00 0.00 O ATOM 827 CB ARG A 51 8.084 -5.633 9.294 1.00 0.00 C ATOM 828 CG ARG A 51 8.816 -6.810 9.990 1.00 0.00 C ATOM 829 CD ARG A 51 9.072 -8.045 9.105 1.00 0.00 C ATOM 830 NE ARG A 51 9.309 -9.224 10.010 1.00 0.00 N ATOM 831 CZ ARG A 51 9.051 -10.524 9.663 1.00 0.00 C ATOM 832 NH1 ARG A 51 8.553 -10.840 8.434 1.00 0.00 N ATOM 833 NH2 ARG A 51 9.296 -11.517 10.569 1.00 0.00 N ATOM 0 H ARG A 51 7.221 -4.237 7.306 1.00 0.00 H new ATOM 0 HA ARG A 51 9.053 -3.743 9.251 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.499 -5.123 10.060 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.376 -6.069 8.590 1.00 0.00 H new ATOM 0 HG2 ARG A 51 9.773 -6.449 10.366 1.00 0.00 H new ATOM 0 HG3 ARG A 51 8.230 -7.119 10.855 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.218 -8.230 8.453 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.935 -7.880 8.460 1.00 0.00 H new ATOM 0 HE ARG A 51 9.686 -9.044 10.941 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.366 -10.103 7.754 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.367 -11.814 8.194 1.00 0.00 H new ATOM 0 HH21 ARG A 51 9.667 -11.286 11.491 1.00 0.00 H new ATOM 0 HH22 ARG A 51 9.108 -12.489 10.323 1.00 0.00 H new ATOM 847 N ASP A 52 10.609 -5.135 6.783 1.00 0.00 N ATOM 848 CA ASP A 52 12.026 -5.202 6.349 1.00 0.00 C ATOM 849 C ASP A 52 12.849 -3.880 6.618 1.00 0.00 C ATOM 850 O ASP A 52 14.071 -3.906 6.758 1.00 0.00 O ATOM 851 CB ASP A 52 12.113 -5.609 4.844 1.00 0.00 C ATOM 852 CG ASP A 52 13.501 -6.124 4.430 1.00 0.00 C ATOM 853 OD1 ASP A 52 13.955 -7.141 5.020 1.00 0.00 O ATOM 854 OD2 ASP A 52 14.115 -5.506 3.521 1.00 0.00 O ATOM 0 H ASP A 52 9.927 -5.201 6.028 1.00 0.00 H new ATOM 0 HA ASP A 52 12.493 -5.968 6.967 1.00 0.00 H new ATOM 0 HB2 ASP A 52 11.372 -6.382 4.641 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.854 -4.749 4.227 1.00 0.00 H new ATOM 859 N SER A 53 12.155 -2.693 6.671 1.00 0.00 N ATOM 860 CA SER A 53 12.647 -1.383 7.066 1.00 0.00 C ATOM 861 C SER A 53 12.460 -0.968 8.526 1.00 0.00 C ATOM 862 O SER A 53 13.146 -0.034 8.935 1.00 0.00 O ATOM 863 CB SER A 53 12.010 -0.260 6.230 1.00 0.00 C ATOM 864 OG SER A 53 12.728 0.988 6.253 1.00 0.00 O ATOM 0 H SER A 53 11.168 -2.657 6.414 1.00 0.00 H new ATOM 0 HA SER A 53 13.717 -1.506 6.895 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.927 -0.597 5.197 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.996 -0.087 6.591 1.00 0.00 H new ATOM 0 HG SER A 53 13.234 1.059 7.089 1.00 0.00 H new ATOM 870 N LEU A 54 11.459 -1.519 9.327 1.00 0.00 N ATOM 871 CA LEU A 54 10.979 -0.917 10.619 1.00 0.00 C ATOM 872 C LEU A 54 12.069 -0.998 11.690 1.00 0.00 C ATOM 873 O LEU A 54 12.190 -0.167 12.579 1.00 0.00 O ATOM 874 CB LEU A 54 9.519 -1.321 11.094 1.00 0.00 C ATOM 875 CG LEU A 54 9.172 -2.614 11.867 1.00 0.00 C ATOM 876 CD1 LEU A 54 7.707 -2.957 11.564 1.00 0.00 C ATOM 877 CD2 LEU A 54 10.095 -3.755 11.562 1.00 0.00 C ATOM 0 H LEU A 54 10.976 -2.384 9.085 1.00 0.00 H new ATOM 0 HA LEU A 54 10.812 0.140 10.410 1.00 0.00 H new ATOM 0 HB2 LEU A 54 9.165 -0.496 11.712 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.903 -1.333 10.195 1.00 0.00 H new ATOM 0 HG LEU A 54 9.307 -2.438 12.934 1.00 0.00 H new ATOM 0 HD11 LEU A 54 7.429 -3.867 12.096 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.067 -2.137 11.889 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.584 -3.111 10.492 1.00 0.00 H new ATOM 0 HD21 LEU A 54 9.794 -4.630 12.138 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.047 -3.987 10.498 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.115 -3.479 11.828 1.00 0.00 H new ATOM 889 N ILE A 55 12.931 -2.017 11.452 1.00 0.00 N ATOM 890 CA ILE A 55 14.293 -2.304 11.909 1.00 0.00 C ATOM 891 C ILE A 55 14.705 -3.213 10.742 1.00 0.00 C ATOM 892 O ILE A 55 13.807 -3.816 10.153 1.00 0.00 O ATOM 893 CB ILE A 55 14.545 -2.973 13.274 1.00 0.00 C ATOM 894 CG1 ILE A 55 13.703 -2.416 14.430 1.00 0.00 C ATOM 895 CG2 ILE A 55 16.024 -2.841 13.714 1.00 0.00 C ATOM 896 CD1 ILE A 55 12.352 -3.109 14.514 1.00 0.00 C ATOM 0 H ILE A 55 12.624 -2.769 10.835 1.00 0.00 H new ATOM 0 HA ILE A 55 14.843 -1.386 12.115 1.00 0.00 H new ATOM 0 HB ILE A 55 14.260 -4.010 13.096 1.00 0.00 H new ATOM 0 HG12 ILE A 55 14.240 -2.546 15.370 1.00 0.00 H new ATOM 0 HG13 ILE A 55 13.557 -1.345 14.293 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.161 -3.325 14.681 1.00 0.00 H new ATOM 0 HG22 ILE A 55 16.667 -3.318 12.975 1.00 0.00 H new ATOM 0 HG23 ILE A 55 16.286 -1.786 13.796 1.00 0.00 H new ATOM 0 HD11 ILE A 55 11.780 -2.692 15.343 1.00 0.00 H new ATOM 0 HD12 ILE A 55 11.806 -2.956 13.583 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.500 -4.177 14.677 1.00 0.00 H new ATOM 908 N GLN A 56 15.999 -3.349 10.351 1.00 0.00 N ATOM 909 CA GLN A 56 16.447 -4.200 9.241 1.00 0.00 C ATOM 910 C GLN A 56 16.847 -5.678 9.495 1.00 0.00 C ATOM 911 O GLN A 56 16.522 -6.480 8.621 1.00 0.00 O ATOM 912 CB GLN A 56 17.599 -3.543 8.415 1.00 0.00 C ATOM 913 CG GLN A 56 17.367 -2.065 8.014 1.00 0.00 C ATOM 914 CD GLN A 56 17.664 -1.111 9.172 1.00 0.00 C ATOM 915 OE1 GLN A 56 18.696 -1.209 9.836 1.00 0.00 O ATOM 916 NE2 GLN A 56 16.708 -0.192 9.468 1.00 0.00 N ATOM 0 H GLN A 56 16.765 -2.858 10.812 1.00 0.00 H new ATOM 0 HA GLN A 56 15.500 -4.265 8.705 1.00 0.00 H new ATOM 0 HB2 GLN A 56 18.520 -3.605 8.995 1.00 0.00 H new ATOM 0 HB3 GLN A 56 17.753 -4.128 7.508 1.00 0.00 H new ATOM 0 HG2 GLN A 56 18.002 -1.815 7.164 1.00 0.00 H new ATOM 0 HG3 GLN A 56 16.335 -1.934 7.690 1.00 0.00 H new ATOM 0 HE21 GLN A 56 15.863 -0.134 8.900 1.00 0.00 H new ATOM 0 HE22 GLN A 56 16.835 0.440 10.258 1.00 0.00 H new ATOM 925 N PRO A 57 17.564 -6.117 10.567 1.00 0.00 N ATOM 926 CA PRO A 57 18.206 -7.441 10.656 1.00 0.00 C ATOM 927 C PRO A 57 17.336 -8.484 11.382 1.00 0.00 C ATOM 928 O PRO A 57 16.184 -8.686 11.038 1.00 0.00 O ATOM 929 CB PRO A 57 19.446 -7.066 11.500 1.00 0.00 C ATOM 930 CG PRO A 57 18.851 -6.129 12.557 1.00 0.00 C ATOM 931 CD PRO A 57 17.976 -5.245 11.666 1.00 0.00 C ATOM 0 HA PRO A 57 18.406 -7.908 9.692 1.00 0.00 H new ATOM 0 HB2 PRO A 57 19.912 -7.943 11.950 1.00 0.00 H new ATOM 0 HB3 PRO A 57 20.211 -6.571 10.902 1.00 0.00 H new ATOM 0 HG2 PRO A 57 18.272 -6.664 13.310 1.00 0.00 H new ATOM 0 HG3 PRO A 57 19.615 -5.560 13.087 1.00 0.00 H new ATOM 0 HD2 PRO A 57 17.114 -4.862 12.212 1.00 0.00 H new ATOM 0 HD3 PRO A 57 18.530 -4.381 11.299 1.00 0.00 H new ATOM 939 N HIS A 58 17.891 -9.132 12.451 1.00 0.00 N ATOM 940 CA HIS A 58 17.304 -10.120 13.358 1.00 0.00 C ATOM 941 C HIS A 58 16.247 -9.542 14.316 1.00 0.00 C ATOM 942 O HIS A 58 15.343 -10.241 14.763 1.00 0.00 O ATOM 943 CB HIS A 58 18.426 -10.883 14.128 1.00 0.00 C ATOM 944 CG HIS A 58 18.073 -12.298 14.563 1.00 0.00 C ATOM 945 ND1 HIS A 58 16.918 -12.608 15.252 1.00 0.00 N ATOM 946 CD2 HIS A 58 18.736 -13.485 14.420 1.00 0.00 C ATOM 947 CE1 HIS A 58 16.933 -13.942 15.486 1.00 0.00 C ATOM 948 NE2 HIS A 58 18.014 -14.511 15.000 1.00 0.00 N ATOM 0 H HIS A 58 18.860 -8.943 12.709 1.00 0.00 H new ATOM 0 HA HIS A 58 16.758 -10.827 12.733 1.00 0.00 H new ATOM 0 HB2 HIS A 58 19.313 -10.926 13.495 1.00 0.00 H new ATOM 0 HB3 HIS A 58 18.694 -10.305 15.013 1.00 0.00 H new ATOM 0 HD1 HIS A 58 16.188 -11.953 15.533 1.00 0.00 H new ATOM 0 HD2 HIS A 58 19.688 -13.604 13.924 1.00 0.00 H new ATOM 0 HE1 HIS A 58 16.152 -14.474 16.009 1.00 0.00 H new ATOM 956 N ASP A 59 16.341 -8.225 14.653 1.00 0.00 N ATOM 957 CA ASP A 59 15.452 -7.438 15.496 1.00 0.00 C ATOM 958 C ASP A 59 14.320 -6.814 14.694 1.00 0.00 C ATOM 959 O ASP A 59 13.531 -6.060 15.245 1.00 0.00 O ATOM 960 CB ASP A 59 16.219 -6.309 16.241 1.00 0.00 C ATOM 961 CG ASP A 59 17.300 -6.927 17.132 1.00 0.00 C ATOM 962 OD1 ASP A 59 16.930 -7.666 18.082 1.00 0.00 O ATOM 963 OD2 ASP A 59 18.505 -6.667 16.873 1.00 0.00 O ATOM 0 H ASP A 59 17.112 -7.657 14.302 1.00 0.00 H new ATOM 0 HA ASP A 59 15.034 -8.131 16.226 1.00 0.00 H new ATOM 0 HB2 ASP A 59 16.672 -5.627 15.522 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.527 -5.722 16.845 1.00 0.00 H new ATOM 968 N ARG A 60 14.179 -7.139 13.369 1.00 0.00 N ATOM 969 CA ARG A 60 13.118 -6.749 12.427 1.00 0.00 C ATOM 970 C ARG A 60 11.694 -6.902 12.953 1.00 0.00 C ATOM 971 O ARG A 60 10.936 -5.959 12.938 1.00 0.00 O ATOM 972 CB ARG A 60 13.284 -7.323 10.986 1.00 0.00 C ATOM 973 CG ARG A 60 12.769 -8.754 10.721 1.00 0.00 C ATOM 974 CD ARG A 60 13.474 -9.855 11.533 1.00 0.00 C ATOM 975 NE ARG A 60 12.444 -10.830 12.039 1.00 0.00 N ATOM 976 CZ ARG A 60 12.759 -11.996 12.682 1.00 0.00 C ATOM 977 NH1 ARG A 60 14.057 -12.386 12.836 1.00 0.00 N ATOM 978 NH2 ARG A 60 11.753 -12.779 13.174 1.00 0.00 N ATOM 0 H ARG A 60 14.872 -7.731 12.911 1.00 0.00 H new ATOM 0 HA ARG A 60 13.273 -5.674 12.337 1.00 0.00 H new ATOM 0 HB2 ARG A 60 12.775 -6.650 10.296 1.00 0.00 H new ATOM 0 HB3 ARG A 60 14.344 -7.296 10.734 1.00 0.00 H new ATOM 0 HG2 ARG A 60 11.702 -8.787 10.941 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.883 -8.975 9.660 1.00 0.00 H new ATOM 0 HD2 ARG A 60 14.206 -10.370 10.911 1.00 0.00 H new ATOM 0 HD3 ARG A 60 14.018 -9.416 12.369 1.00 0.00 H new ATOM 0 HE ARG A 60 11.459 -10.609 11.895 1.00 0.00 H new ATOM 0 HH11 ARG A 60 14.811 -11.805 12.469 1.00 0.00 H new ATOM 0 HH12 ARG A 60 14.274 -13.258 13.318 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.781 -12.492 13.060 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.974 -13.651 13.655 1.00 0.00 H new ATOM 992 N LYS A 61 11.273 -8.056 13.541 1.00 0.00 N ATOM 993 CA LYS A 61 9.975 -8.212 14.204 1.00 0.00 C ATOM 994 C LYS A 61 9.779 -7.464 15.516 1.00 0.00 C ATOM 995 O LYS A 61 8.661 -7.163 15.913 1.00 0.00 O ATOM 996 CB LYS A 61 9.146 -9.490 13.891 1.00 0.00 C ATOM 997 CG LYS A 61 7.944 -9.873 14.804 1.00 0.00 C ATOM 998 CD LYS A 61 8.336 -10.516 16.146 1.00 0.00 C ATOM 999 CE LYS A 61 7.144 -11.100 16.920 1.00 0.00 C ATOM 1000 NZ LYS A 61 6.150 -10.052 17.253 1.00 0.00 N ATOM 0 H LYS A 61 11.840 -8.904 13.561 1.00 0.00 H new ATOM 0 HA LYS A 61 9.331 -7.567 13.606 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.764 -9.390 12.875 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.836 -10.334 13.890 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.357 -8.977 15.004 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.298 -10.563 14.261 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.062 -11.308 15.962 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.830 -9.769 16.767 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.668 -11.879 16.325 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.499 -11.571 17.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.358 -10.478 17.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.599 -9.322 17.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.794 -9.620 16.376 1.00 0.00 H new ATOM 1014 N LYS A 62 10.850 -7.121 16.269 1.00 0.00 N ATOM 1015 CA LYS A 62 10.797 -6.362 17.523 1.00 0.00 C ATOM 1016 C LYS A 62 10.071 -4.995 17.553 1.00 0.00 C ATOM 1017 O LYS A 62 9.617 -4.581 18.617 1.00 0.00 O ATOM 1018 CB LYS A 62 12.249 -6.270 18.090 1.00 0.00 C ATOM 1019 CG LYS A 62 12.406 -5.631 19.479 1.00 0.00 C ATOM 1020 CD LYS A 62 13.836 -5.150 19.779 1.00 0.00 C ATOM 1021 CE LYS A 62 14.207 -3.880 18.994 1.00 0.00 C ATOM 1022 NZ LYS A 62 15.572 -3.417 19.337 1.00 0.00 N ATOM 0 H LYS A 62 11.801 -7.377 16.005 1.00 0.00 H new ATOM 0 HA LYS A 62 10.125 -6.936 18.162 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.664 -7.277 18.129 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.855 -5.703 17.384 1.00 0.00 H new ATOM 0 HG2 LYS A 62 11.723 -4.785 19.560 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.109 -6.355 20.238 1.00 0.00 H new ATOM 0 HD2 LYS A 62 13.934 -4.955 20.847 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.542 -5.944 19.534 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.146 -4.080 17.924 1.00 0.00 H new ATOM 0 HE3 LYS A 62 13.487 -3.091 19.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.795 -2.559 18.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 15.621 -3.204 20.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 16.260 -4.162 19.106 1.00 0.00 H new ATOM 1036 N MET A 63 9.853 -4.294 16.402 1.00 0.00 N ATOM 1037 CA MET A 63 8.936 -3.155 16.375 1.00 0.00 C ATOM 1038 C MET A 63 7.749 -3.451 15.490 1.00 0.00 C ATOM 1039 O MET A 63 6.902 -2.584 15.368 1.00 0.00 O ATOM 1040 CB MET A 63 9.443 -1.678 16.267 1.00 0.00 C ATOM 1041 CG MET A 63 10.487 -1.253 17.317 1.00 0.00 C ATOM 1042 SD MET A 63 10.809 0.543 17.264 1.00 0.00 S ATOM 1043 CE MET A 63 11.644 0.623 15.649 1.00 0.00 C ATOM 0 H MET A 63 10.297 -4.505 15.508 1.00 0.00 H new ATOM 0 HA MET A 63 8.663 -3.103 17.429 1.00 0.00 H new ATOM 0 HB2 MET A 63 9.871 -1.532 15.275 1.00 0.00 H new ATOM 0 HB3 MET A 63 8.584 -1.012 16.345 1.00 0.00 H new ATOM 0 HG2 MET A 63 10.136 -1.530 18.311 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.417 -1.794 17.145 1.00 0.00 H new ATOM 0 HE1 MET A 63 11.669 1.656 15.303 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.663 0.249 15.747 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.101 0.012 14.928 1.00 0.00 H new ATOM 1053 N LYS A 64 7.577 -4.702 14.921 1.00 0.00 N ATOM 1054 CA LYS A 64 6.400 -5.147 14.171 1.00 0.00 C ATOM 1055 C LYS A 64 5.194 -5.333 15.113 1.00 0.00 C ATOM 1056 O LYS A 64 4.040 -5.098 14.757 1.00 0.00 O ATOM 1057 CB LYS A 64 6.740 -6.430 13.353 1.00 0.00 C ATOM 1058 CG LYS A 64 5.593 -7.412 13.155 1.00 0.00 C ATOM 1059 CD LYS A 64 5.830 -8.504 12.107 1.00 0.00 C ATOM 1060 CE LYS A 64 4.685 -9.522 12.029 1.00 0.00 C ATOM 1061 NZ LYS A 64 4.988 -10.576 11.033 1.00 0.00 N ATOM 0 H LYS A 64 8.291 -5.427 14.991 1.00 0.00 H new ATOM 0 HA LYS A 64 6.113 -4.379 13.453 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.107 -6.127 12.373 1.00 0.00 H new ATOM 0 HB3 LYS A 64 7.557 -6.951 13.852 1.00 0.00 H new ATOM 0 HG2 LYS A 64 5.379 -7.891 14.111 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.702 -6.851 12.874 1.00 0.00 H new ATOM 0 HD2 LYS A 64 5.962 -8.039 11.130 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.758 -9.027 12.339 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.527 -9.975 13.008 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.759 -9.015 11.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.167 -11.206 10.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 5.199 -10.136 10.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 5.811 -11.127 11.350 1.00 0.00 H new ATOM 1075 N LYS A 65 5.483 -5.695 16.386 1.00 0.00 N ATOM 1076 CA LYS A 65 4.463 -5.794 17.454 1.00 0.00 C ATOM 1077 C LYS A 65 3.849 -4.417 17.905 1.00 0.00 C ATOM 1078 O LYS A 65 2.633 -4.260 18.025 1.00 0.00 O ATOM 1079 CB LYS A 65 5.038 -6.621 18.643 1.00 0.00 C ATOM 1080 CG LYS A 65 4.028 -7.435 19.489 1.00 0.00 C ATOM 1081 CD LYS A 65 3.219 -6.664 20.554 1.00 0.00 C ATOM 1082 CE LYS A 65 4.089 -5.964 21.611 1.00 0.00 C ATOM 1083 NZ LYS A 65 3.249 -5.287 22.626 1.00 0.00 N ATOM 0 H LYS A 65 6.426 -5.925 16.699 1.00 0.00 H new ATOM 0 HA LYS A 65 3.607 -6.321 17.033 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.782 -7.312 18.246 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.563 -5.936 19.309 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.323 -7.911 18.808 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.574 -8.233 19.992 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.599 -5.918 20.056 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.543 -7.357 21.055 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.735 -6.695 22.097 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.739 -5.235 21.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.860 -4.822 23.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.650 -4.574 22.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 2.646 -5.988 23.102 1.00 0.00 H new ATOM 1097 N VAL A 66 4.704 -3.345 18.080 1.00 0.00 N ATOM 1098 CA VAL A 66 4.328 -1.932 18.345 1.00 0.00 C ATOM 1099 C VAL A 66 3.819 -1.239 17.085 1.00 0.00 C ATOM 1100 O VAL A 66 2.946 -0.375 17.149 1.00 0.00 O ATOM 1101 CB VAL A 66 5.240 -1.058 19.232 1.00 0.00 C ATOM 1102 CG1 VAL A 66 6.669 -0.914 18.688 1.00 0.00 C ATOM 1103 CG2 VAL A 66 4.607 0.339 19.506 1.00 0.00 C ATOM 0 H VAL A 66 5.716 -3.465 18.035 1.00 0.00 H new ATOM 0 HA VAL A 66 3.499 -2.045 19.043 1.00 0.00 H new ATOM 0 HB VAL A 66 5.324 -1.591 20.179 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.253 -0.287 19.362 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.132 -1.898 18.615 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.638 -0.454 17.700 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.278 0.926 20.134 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.448 0.858 18.561 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.652 0.212 20.016 1.00 0.00 H new ATOM 1113 N TRP A 67 4.311 -1.634 15.875 1.00 0.00 N ATOM 1114 CA TRP A 67 3.891 -1.214 14.533 1.00 0.00 C ATOM 1115 C TRP A 67 2.384 -1.329 14.305 1.00 0.00 C ATOM 1116 O TRP A 67 1.773 -0.414 13.785 1.00 0.00 O ATOM 1117 CB TRP A 67 4.627 -2.072 13.465 1.00 0.00 C ATOM 1118 CG TRP A 67 4.297 -1.860 12.013 1.00 0.00 C ATOM 1119 CD1 TRP A 67 3.402 -2.590 11.291 1.00 0.00 C ATOM 1120 CD2 TRP A 67 4.683 -0.742 11.205 1.00 0.00 C ATOM 1121 NE1 TRP A 67 3.144 -1.965 10.111 1.00 0.00 N ATOM 1122 CE2 TRP A 67 3.882 -0.803 10.065 1.00 0.00 C ATOM 1123 CE3 TRP A 67 5.597 0.265 11.392 1.00 0.00 C ATOM 1124 CZ2 TRP A 67 3.947 0.161 9.120 1.00 0.00 C ATOM 1125 CZ3 TRP A 67 5.700 1.192 10.398 1.00 0.00 C ATOM 1126 CH2 TRP A 67 4.910 1.124 9.273 1.00 0.00 C ATOM 0 H TRP A 67 5.073 -2.310 15.825 1.00 0.00 H new ATOM 0 HA TRP A 67 4.152 -0.160 14.442 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.697 -1.906 13.588 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.439 -3.120 13.697 1.00 0.00 H new ATOM 0 HD1 TRP A 67 2.963 -3.525 11.608 1.00 0.00 H new ATOM 0 HE1 TRP A 67 2.512 -2.300 9.384 1.00 0.00 H new ATOM 0 HE3 TRP A 67 6.205 0.320 12.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 3.269 0.172 8.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 6.415 1.995 10.495 1.00 0.00 H new ATOM 0 HH2 TRP A 67 5.053 1.851 8.487 1.00 0.00 H new ATOM 1137 N ASP A 68 1.757 -2.428 14.792 1.00 0.00 N ATOM 1138 CA ASP A 68 0.319 -2.732 14.802 1.00 0.00 C ATOM 1139 C ASP A 68 -0.556 -1.643 15.468 1.00 0.00 C ATOM 1140 O ASP A 68 -1.623 -1.281 14.982 1.00 0.00 O ATOM 1141 CB ASP A 68 0.166 -4.062 15.597 1.00 0.00 C ATOM 1142 CG ASP A 68 0.924 -5.223 14.941 1.00 0.00 C ATOM 1143 OD1 ASP A 68 1.114 -5.201 13.694 1.00 0.00 O ATOM 1144 OD2 ASP A 68 1.299 -6.167 15.687 1.00 0.00 O ATOM 0 H ASP A 68 2.295 -3.181 15.221 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.028 -2.794 13.771 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.533 -3.919 16.613 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.891 -4.318 15.673 1.00 0.00 H new ATOM 1149 N ARG A 69 -0.024 -1.035 16.563 1.00 0.00 N ATOM 1150 CA ARG A 69 -0.465 0.223 17.162 1.00 0.00 C ATOM 1151 C ARG A 69 0.009 1.493 16.400 1.00 0.00 C ATOM 1152 O ARG A 69 -0.797 2.345 16.023 1.00 0.00 O ATOM 1153 CB ARG A 69 -0.027 0.280 18.648 1.00 0.00 C ATOM 1154 CG ARG A 69 -0.239 1.607 19.416 1.00 0.00 C ATOM 1155 CD ARG A 69 -1.663 2.189 19.332 1.00 0.00 C ATOM 1156 NE ARG A 69 -1.780 3.341 20.299 1.00 0.00 N ATOM 1157 CZ ARG A 69 -2.090 3.210 21.626 1.00 0.00 C ATOM 1158 NH1 ARG A 69 -2.367 1.990 22.171 1.00 0.00 N ATOM 1159 NH2 ARG A 69 -2.123 4.324 22.416 1.00 0.00 N ATOM 0 H ARG A 69 0.764 -1.443 17.066 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.553 0.232 17.090 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.560 -0.505 19.184 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.034 0.033 18.694 1.00 0.00 H new ATOM 0 HG2 ARG A 69 0.010 1.446 20.465 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.463 2.347 19.032 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.873 2.527 18.317 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.399 1.421 19.571 1.00 0.00 H new ATOM 0 HE ARG A 69 -1.617 4.282 19.940 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -2.345 1.154 21.587 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -2.596 1.914 23.162 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -1.918 5.239 22.016 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -2.353 4.240 23.406 1.00 0.00 H new ATOM 1173 N ALA A 70 1.354 1.649 16.146 1.00 0.00 N ATOM 1174 CA ALA A 70 2.018 2.806 15.504 1.00 0.00 C ATOM 1175 C ALA A 70 1.518 3.166 14.093 1.00 0.00 C ATOM 1176 O ALA A 70 1.322 4.329 13.742 1.00 0.00 O ATOM 1177 CB ALA A 70 3.555 2.657 15.501 1.00 0.00 C ATOM 0 H ALA A 70 2.025 0.925 16.403 1.00 0.00 H new ATOM 0 HA ALA A 70 1.729 3.646 16.136 1.00 0.00 H new ATOM 0 HB1 ALA A 70 4.004 3.527 15.021 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.915 2.582 16.527 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.832 1.757 14.953 1.00 0.00 H new ATOM 1183 N VAL A 71 1.191 2.113 13.292 1.00 0.00 N ATOM 1184 CA VAL A 71 0.522 2.060 11.994 1.00 0.00 C ATOM 1185 C VAL A 71 -0.860 2.711 11.976 1.00 0.00 C ATOM 1186 O VAL A 71 -1.294 3.196 10.937 1.00 0.00 O ATOM 1187 CB VAL A 71 0.581 0.680 11.354 1.00 0.00 C ATOM 1188 CG1 VAL A 71 -0.532 -0.281 11.784 1.00 0.00 C ATOM 1189 CG2 VAL A 71 0.584 0.720 9.831 1.00 0.00 C ATOM 0 H VAL A 71 1.428 1.169 13.597 1.00 0.00 H new ATOM 0 HA VAL A 71 1.110 2.700 11.337 1.00 0.00 H new ATOM 0 HB VAL A 71 1.532 0.299 11.726 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.404 -1.236 11.275 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.484 -0.435 12.862 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.501 0.144 11.521 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.627 -0.297 9.440 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.326 1.206 9.478 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.453 1.279 9.483 1.00 0.00 H new ATOM 1199 N ASP A 72 -1.597 2.705 13.137 1.00 0.00 N ATOM 1200 CA ASP A 72 -2.920 3.317 13.367 1.00 0.00 C ATOM 1201 C ASP A 72 -2.951 4.844 13.138 1.00 0.00 C ATOM 1202 O ASP A 72 -3.926 5.359 12.611 1.00 0.00 O ATOM 1203 CB ASP A 72 -3.569 2.844 14.700 1.00 0.00 C ATOM 1204 CG ASP A 72 -5.104 2.772 14.635 1.00 0.00 C ATOM 1205 OD1 ASP A 72 -5.758 3.840 14.497 1.00 0.00 O ATOM 1206 OD2 ASP A 72 -5.638 1.635 14.728 1.00 0.00 O ATOM 0 H ASP A 72 -1.248 2.241 13.976 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.572 2.933 12.583 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.176 1.861 14.959 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.277 3.524 15.500 1.00 0.00 H new ATOM 1211 N PHE A 73 -1.826 5.590 13.382 1.00 0.00 N ATOM 1212 CA PHE A 73 -1.640 6.937 12.774 1.00 0.00 C ATOM 1213 C PHE A 73 -1.514 6.892 11.203 1.00 0.00 C ATOM 1214 O PHE A 73 -2.296 7.516 10.487 1.00 0.00 O ATOM 1215 CB PHE A 73 -0.351 7.685 13.266 1.00 0.00 C ATOM 1216 CG PHE A 73 -0.266 9.102 12.688 1.00 0.00 C ATOM 1217 CD1 PHE A 73 -1.247 10.027 13.000 1.00 0.00 C ATOM 1218 CD2 PHE A 73 0.634 9.416 11.679 1.00 0.00 C ATOM 1219 CE1 PHE A 73 -1.303 11.251 12.369 1.00 0.00 C ATOM 1220 CE2 PHE A 73 0.604 10.653 11.071 1.00 0.00 C ATOM 1221 CZ PHE A 73 -0.355 11.577 11.423 1.00 0.00 C ATOM 0 H PHE A 73 -1.058 5.286 13.980 1.00 0.00 H new ATOM 0 HA PHE A 73 -2.539 7.465 13.092 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.352 7.735 14.355 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.533 7.118 12.974 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.983 9.785 13.753 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.365 8.684 11.367 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -2.087 11.952 12.615 1.00 0.00 H new ATOM 0 HE2 PHE A 73 1.336 10.899 10.315 1.00 0.00 H new ATOM 0 HZ PHE A 73 -0.364 12.553 10.960 1.00 0.00 H new ATOM 1231 N LEU A 74 -0.501 6.134 10.655 1.00 0.00 N ATOM 1232 CA LEU A 74 -0.145 6.017 9.209 1.00 0.00 C ATOM 1233 C LEU A 74 -1.280 5.533 8.287 1.00 0.00 C ATOM 1234 O LEU A 74 -1.615 6.206 7.310 1.00 0.00 O ATOM 1235 CB LEU A 74 1.121 5.116 9.098 1.00 0.00 C ATOM 1236 CG LEU A 74 1.836 5.053 7.733 1.00 0.00 C ATOM 1237 CD1 LEU A 74 2.497 6.391 7.365 1.00 0.00 C ATOM 1238 CD2 LEU A 74 2.891 3.936 7.758 1.00 0.00 C ATOM 0 H LEU A 74 0.110 5.567 11.243 1.00 0.00 H new ATOM 0 HA LEU A 74 0.056 7.023 8.841 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.843 5.458 9.840 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.836 4.101 9.375 1.00 0.00 H new ATOM 0 HG LEU A 74 1.085 4.841 6.972 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.988 6.300 6.396 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.737 7.171 7.314 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.235 6.653 8.123 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.396 3.891 6.793 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.621 4.142 8.541 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.405 2.981 7.958 1.00 0.00 H new ATOM 1250 N ALA A 75 -1.945 4.390 8.630 1.00 0.00 N ATOM 1251 CA ALA A 75 -3.136 3.867 7.963 1.00 0.00 C ATOM 1252 C ALA A 75 -4.455 4.664 8.144 1.00 0.00 C ATOM 1253 O ALA A 75 -5.412 4.443 7.405 1.00 0.00 O ATOM 1254 CB ALA A 75 -3.339 2.403 8.402 1.00 0.00 C ATOM 0 H ALA A 75 -1.642 3.802 9.406 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.929 3.964 6.897 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.224 1.996 7.913 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.466 1.814 8.120 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.470 2.362 9.483 1.00 0.00 H new ATOM 1260 N ALA A 76 -4.542 5.633 9.114 1.00 0.00 N ATOM 1261 CA ALA A 76 -5.675 6.525 9.318 1.00 0.00 C ATOM 1262 C ALA A 76 -5.440 7.864 8.619 1.00 0.00 C ATOM 1263 O ALA A 76 -6.384 8.507 8.170 1.00 0.00 O ATOM 1264 CB ALA A 76 -5.935 6.757 10.821 1.00 0.00 C ATOM 0 H ALA A 76 -3.789 5.798 9.782 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.554 6.048 8.884 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.786 7.427 10.944 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.150 5.804 11.304 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.052 7.204 11.278 1.00 0.00 H new ATOM 1270 N ASN A 77 -4.156 8.308 8.514 1.00 0.00 N ATOM 1271 CA ASN A 77 -3.708 9.554 7.891 1.00 0.00 C ATOM 1272 C ASN A 77 -3.366 9.470 6.399 1.00 0.00 C ATOM 1273 O ASN A 77 -3.724 10.379 5.653 1.00 0.00 O ATOM 1274 CB ASN A 77 -2.475 10.109 8.688 1.00 0.00 C ATOM 1275 CG ASN A 77 -1.864 11.459 8.261 1.00 0.00 C ATOM 1276 OD1 ASN A 77 -0.643 11.623 8.284 1.00 0.00 O ATOM 1277 ND2 ASN A 77 -2.706 12.454 7.887 1.00 0.00 N ATOM 0 H ASN A 77 -3.376 7.766 8.886 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.564 10.227 7.939 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.769 10.195 9.734 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.686 9.359 8.640 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -2.332 13.364 7.616 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.713 12.293 7.876 1.00 0.00 H new ATOM 1284 N GLU A 78 -2.599 8.442 5.941 1.00 0.00 N ATOM 1285 CA GLU A 78 -2.059 8.373 4.576 1.00 0.00 C ATOM 1286 C GLU A 78 -2.895 7.606 3.547 1.00 0.00 C ATOM 1287 O GLU A 78 -3.516 6.580 3.814 1.00 0.00 O ATOM 1288 CB GLU A 78 -0.595 7.844 4.590 1.00 0.00 C ATOM 1289 CG GLU A 78 0.390 8.766 5.338 1.00 0.00 C ATOM 1290 CD GLU A 78 0.515 10.109 4.618 1.00 0.00 C ATOM 1291 OE1 GLU A 78 0.985 10.112 3.448 1.00 0.00 O ATOM 1292 OE2 GLU A 78 0.145 11.147 5.227 1.00 0.00 O ATOM 0 H GLU A 78 -2.344 7.641 6.519 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.094 9.406 4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.579 6.858 5.053 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.253 7.719 3.563 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.045 8.925 6.360 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.368 8.288 5.402 1.00 0.00 H new ATOM 1299 N SER A 79 -2.907 8.133 2.291 1.00 0.00 N ATOM 1300 CA SER A 79 -3.691 7.634 1.158 1.00 0.00 C ATOM 1301 C SER A 79 -2.886 7.579 -0.148 1.00 0.00 C ATOM 1302 O SER A 79 -3.249 8.147 -1.177 1.00 0.00 O ATOM 1303 CB SER A 79 -5.004 8.462 0.987 1.00 0.00 C ATOM 1304 OG SER A 79 -4.791 9.866 1.163 1.00 0.00 O ATOM 0 H SER A 79 -2.345 8.948 2.045 1.00 0.00 H new ATOM 0 HA SER A 79 -3.961 6.603 1.389 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.417 8.282 -0.005 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.745 8.117 1.708 1.00 0.00 H new ATOM 0 HG SER A 79 -5.639 10.343 1.045 1.00 0.00 H new ATOM 1310 N ARG A 80 -1.756 6.833 -0.128 1.00 0.00 N ATOM 1311 CA ARG A 80 -0.877 6.597 -1.271 1.00 0.00 C ATOM 1312 C ARG A 80 -0.936 5.126 -1.620 1.00 0.00 C ATOM 1313 O ARG A 80 -1.758 4.732 -2.445 1.00 0.00 O ATOM 1314 CB ARG A 80 0.564 7.146 -1.009 1.00 0.00 C ATOM 1315 CG ARG A 80 1.081 6.992 0.441 1.00 0.00 C ATOM 1316 CD ARG A 80 2.511 7.529 0.624 1.00 0.00 C ATOM 1317 NE ARG A 80 2.530 9.022 0.429 1.00 0.00 N ATOM 1318 CZ ARG A 80 3.692 9.744 0.343 1.00 0.00 C ATOM 1319 NH1 ARG A 80 4.908 9.130 0.422 1.00 0.00 N ATOM 1320 NH2 ARG A 80 3.629 11.097 0.173 1.00 0.00 N ATOM 0 H ARG A 80 -1.430 6.368 0.719 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.217 7.155 -2.143 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.256 6.636 -1.679 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.585 8.203 -1.274 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.410 7.519 1.119 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.054 5.939 0.721 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.877 7.279 1.620 1.00 0.00 H new ATOM 0 HD3 ARG A 80 3.182 7.052 -0.091 1.00 0.00 H new ATOM 0 HE ARG A 80 1.641 9.517 0.358 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.962 8.119 0.547 1.00 0.00 H new ATOM 0 HH12 ARG A 80 5.763 9.682 0.356 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.723 11.562 0.111 1.00 0.00 H new ATOM 0 HH22 ARG A 80 4.488 11.643 0.108 1.00 0.00 H new ATOM 1334 N VAL A 81 -0.118 4.218 -1.010 1.00 0.00 N ATOM 1335 CA VAL A 81 -0.192 2.771 -1.235 1.00 0.00 C ATOM 1336 C VAL A 81 -1.495 2.188 -0.625 1.00 0.00 C ATOM 1337 O VAL A 81 -1.984 2.666 0.404 1.00 0.00 O ATOM 1338 CB VAL A 81 1.077 2.050 -0.785 1.00 0.00 C ATOM 1339 CG1 VAL A 81 2.270 2.368 -1.735 1.00 0.00 C ATOM 1340 CG2 VAL A 81 1.404 2.357 0.687 1.00 0.00 C ATOM 0 H VAL A 81 0.610 4.487 -0.348 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.246 2.593 -2.309 1.00 0.00 H new ATOM 0 HB VAL A 81 0.896 0.977 -0.849 1.00 0.00 H new ATOM 0 HG11 VAL A 81 3.160 1.841 -1.390 1.00 0.00 H new ATOM 0 HG12 VAL A 81 2.026 2.044 -2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.460 3.441 -1.733 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.313 1.829 0.976 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.553 3.430 0.810 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.578 2.031 1.319 1.00 0.00 H new ATOM 1350 N ARG A 82 -2.141 1.210 -1.310 1.00 0.00 N ATOM 1351 CA ARG A 82 -3.477 0.728 -0.965 1.00 0.00 C ATOM 1352 C ARG A 82 -3.423 -0.661 -0.381 1.00 0.00 C ATOM 1353 O ARG A 82 -2.493 -1.401 -0.689 1.00 0.00 O ATOM 1354 CB ARG A 82 -4.428 0.758 -2.205 1.00 0.00 C ATOM 1355 CG ARG A 82 -4.236 -0.346 -3.275 1.00 0.00 C ATOM 1356 CD ARG A 82 -5.490 -0.649 -4.111 1.00 0.00 C ATOM 1357 NE ARG A 82 -6.569 -1.169 -3.197 1.00 0.00 N ATOM 1358 CZ ARG A 82 -7.834 -1.481 -3.622 1.00 0.00 C ATOM 1359 NH1 ARG A 82 -8.203 -1.289 -4.922 1.00 0.00 N ATOM 1360 NH2 ARG A 82 -8.729 -2.003 -2.733 1.00 0.00 N ATOM 0 H ARG A 82 -1.736 0.740 -2.119 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.879 1.402 -0.209 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -5.455 0.703 -1.844 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.314 1.725 -2.694 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -3.431 -0.047 -3.946 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -3.915 -1.262 -2.780 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.830 0.252 -4.622 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.261 -1.385 -4.882 1.00 0.00 H new ATOM 0 HE ARG A 82 -6.346 -1.296 -2.210 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -7.534 -0.909 -5.591 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.148 -1.526 -5.224 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.454 -2.157 -1.763 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -9.673 -2.239 -3.039 1.00 0.00 H new ATOM 1374 N THR A 83 -4.443 -1.057 0.432 1.00 0.00 N ATOM 1375 CA THR A 83 -4.574 -2.386 1.045 1.00 0.00 C ATOM 1376 C THR A 83 -5.518 -3.225 0.191 1.00 0.00 C ATOM 1377 O THR A 83 -6.720 -2.974 0.140 1.00 0.00 O ATOM 1378 CB THR A 83 -5.075 -2.381 2.495 1.00 0.00 C ATOM 1379 OG1 THR A 83 -4.374 -1.421 3.270 1.00 0.00 O ATOM 1380 CG2 THR A 83 -4.791 -3.734 3.163 1.00 0.00 C ATOM 0 H THR A 83 -5.212 -0.434 0.678 1.00 0.00 H new ATOM 0 HA THR A 83 -3.569 -2.805 1.083 1.00 0.00 H new ATOM 0 HB THR A 83 -6.142 -2.160 2.457 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.411 -1.589 3.206 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.152 -3.715 4.191 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.301 -4.525 2.614 1.00 0.00 H new ATOM 0 HG23 THR A 83 -3.718 -3.924 3.159 1.00 0.00 H new ATOM 1388 N GLU A 84 -5.002 -4.254 -0.517 1.00 0.00 N ATOM 1389 CA GLU A 84 -5.786 -5.049 -1.468 1.00 0.00 C ATOM 1390 C GLU A 84 -5.616 -6.534 -1.180 1.00 0.00 C ATOM 1391 O GLU A 84 -4.570 -6.965 -0.696 1.00 0.00 O ATOM 1392 CB GLU A 84 -5.380 -4.666 -2.936 1.00 0.00 C ATOM 1393 CG GLU A 84 -6.054 -5.507 -4.042 1.00 0.00 C ATOM 1394 CD GLU A 84 -5.751 -4.929 -5.422 1.00 0.00 C ATOM 1395 OE1 GLU A 84 -6.207 -3.789 -5.704 1.00 0.00 O ATOM 1396 OE2 GLU A 84 -5.068 -5.625 -6.220 1.00 0.00 O ATOM 0 H GLU A 84 -4.029 -4.551 -0.440 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.847 -4.827 -1.354 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.622 -3.616 -3.101 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.299 -4.764 -3.035 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.701 -6.537 -3.988 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.132 -5.531 -3.881 1.00 0.00 H new ATOM 1403 N THR A 85 -6.656 -7.370 -1.487 1.00 0.00 N ATOM 1404 CA THR A 85 -6.676 -8.828 -1.315 1.00 0.00 C ATOM 1405 C THR A 85 -6.111 -9.512 -2.572 1.00 0.00 C ATOM 1406 O THR A 85 -6.721 -9.461 -3.642 1.00 0.00 O ATOM 1407 CB THR A 85 -8.080 -9.395 -1.020 1.00 0.00 C ATOM 1408 OG1 THR A 85 -8.902 -8.448 -0.346 1.00 0.00 O ATOM 1409 CG2 THR A 85 -7.936 -10.601 -0.078 1.00 0.00 C ATOM 0 H THR A 85 -7.530 -7.015 -1.875 1.00 0.00 H new ATOM 0 HA THR A 85 -6.056 -9.040 -0.444 1.00 0.00 H new ATOM 0 HB THR A 85 -8.535 -9.660 -1.975 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.784 -8.841 -0.177 1.00 0.00 H new ATOM 0 HG21 THR A 85 -8.922 -11.013 0.139 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.321 -11.364 -0.555 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.463 -10.283 0.851 1.00 0.00 H new ATOM 1417 N ARG A 86 -4.921 -10.157 -2.494 1.00 0.00 N ATOM 1418 CA ARG A 86 -4.235 -10.757 -3.625 1.00 0.00 C ATOM 1419 C ARG A 86 -3.884 -12.203 -3.314 1.00 0.00 C ATOM 1420 O ARG A 86 -3.442 -12.500 -2.206 1.00 0.00 O ATOM 1421 CB ARG A 86 -2.971 -9.888 -3.890 1.00 0.00 C ATOM 1422 CG ARG A 86 -2.417 -9.960 -5.326 1.00 0.00 C ATOM 1423 CD ARG A 86 -1.484 -11.140 -5.649 1.00 0.00 C ATOM 1424 NE ARG A 86 -1.233 -11.202 -7.134 1.00 0.00 N ATOM 1425 CZ ARG A 86 -2.086 -11.795 -8.030 1.00 0.00 C ATOM 1426 NH1 ARG A 86 -3.211 -12.444 -7.610 1.00 0.00 N ATOM 1427 NH2 ARG A 86 -1.808 -11.728 -9.364 1.00 0.00 N ATOM 0 H ARG A 86 -4.415 -10.267 -1.616 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.861 -10.779 -4.517 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.209 -8.849 -3.661 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.186 -10.196 -3.199 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.261 -9.995 -6.015 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.878 -9.035 -5.529 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.540 -11.025 -5.116 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.932 -12.073 -5.307 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.378 -10.778 -7.494 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.429 -12.494 -6.615 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.833 -12.879 -8.291 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.972 -11.240 -9.687 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.436 -12.166 -10.038 1.00 0.00 H new ATOM 1441 N ARG A 87 -4.037 -13.151 -4.287 1.00 0.00 N ATOM 1442 CA ARG A 87 -3.688 -14.567 -4.140 1.00 0.00 C ATOM 1443 C ARG A 87 -2.210 -14.865 -4.442 1.00 0.00 C ATOM 1444 O ARG A 87 -1.760 -14.697 -5.572 1.00 0.00 O ATOM 1445 CB ARG A 87 -4.598 -15.466 -5.015 1.00 0.00 C ATOM 1446 CG ARG A 87 -4.587 -16.956 -4.605 1.00 0.00 C ATOM 1447 CD ARG A 87 -5.478 -17.848 -5.484 1.00 0.00 C ATOM 1448 NE ARG A 87 -6.907 -17.404 -5.324 1.00 0.00 N ATOM 1449 CZ ARG A 87 -7.957 -17.999 -5.969 1.00 0.00 C ATOM 1450 NH1 ARG A 87 -7.755 -19.057 -6.808 1.00 0.00 N ATOM 1451 NH2 ARG A 87 -9.222 -17.525 -5.770 1.00 0.00 N ATOM 0 H ARG A 87 -4.416 -12.930 -5.208 1.00 0.00 H new ATOM 0 HA ARG A 87 -3.854 -14.802 -3.089 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.621 -15.092 -4.962 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.282 -15.383 -6.055 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.563 -17.327 -4.647 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -4.914 -17.040 -3.569 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.174 -17.775 -6.528 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -5.372 -18.893 -5.193 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.103 -16.619 -4.703 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.812 -19.414 -6.961 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.547 -19.491 -7.282 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.378 -16.734 -5.145 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.011 -17.962 -6.246 1.00 0.00 H new ATOM 1465 N ILE A 88 -1.410 -15.316 -3.438 1.00 0.00 N ATOM 1466 CA ILE A 88 0.020 -15.614 -3.576 1.00 0.00 C ATOM 1467 C ILE A 88 0.282 -16.955 -2.918 1.00 0.00 C ATOM 1468 O ILE A 88 -0.051 -17.166 -1.754 1.00 0.00 O ATOM 1469 CB ILE A 88 0.979 -14.524 -3.052 1.00 0.00 C ATOM 1470 CG1 ILE A 88 0.553 -13.862 -1.708 1.00 0.00 C ATOM 1471 CG2 ILE A 88 1.158 -13.495 -4.186 1.00 0.00 C ATOM 1472 CD1 ILE A 88 -0.211 -12.533 -1.847 1.00 0.00 C ATOM 0 H ILE A 88 -1.761 -15.482 -2.495 1.00 0.00 H new ATOM 0 HA ILE A 88 0.242 -15.645 -4.643 1.00 0.00 H new ATOM 0 HB ILE A 88 1.928 -14.995 -2.794 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.071 -14.565 -1.156 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.446 -13.689 -1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.831 -12.704 -3.856 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.579 -13.988 -5.062 1.00 0.00 H new ATOM 0 HG23 ILE A 88 0.190 -13.064 -4.443 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.463 -12.153 -0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 88 0.414 -11.807 -2.367 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.126 -12.697 -2.416 1.00 0.00 H new ATOM 1484 N GLY A 89 0.834 -17.943 -3.698 1.00 0.00 N ATOM 1485 CA GLY A 89 1.093 -19.352 -3.253 1.00 0.00 C ATOM 1486 C GLY A 89 -0.169 -20.164 -3.048 1.00 0.00 C ATOM 1487 O GLY A 89 -0.189 -21.145 -2.312 1.00 0.00 O ATOM 0 H GLY A 89 1.114 -17.778 -4.665 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.719 -19.849 -3.994 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.658 -19.332 -2.321 1.00 0.00 H new ATOM 1491 N GLY A 90 -1.274 -19.701 -3.683 1.00 0.00 N ATOM 1492 CA GLY A 90 -2.643 -20.227 -3.519 1.00 0.00 C ATOM 1493 C GLY A 90 -3.419 -19.649 -2.344 1.00 0.00 C ATOM 1494 O GLY A 90 -4.448 -20.204 -1.973 1.00 0.00 O ATOM 0 H GLY A 90 -1.230 -18.926 -4.344 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -3.202 -20.034 -4.434 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.588 -21.309 -3.401 1.00 0.00 H new ATOM 1498 N ALA A 91 -2.976 -18.530 -1.704 1.00 0.00 N ATOM 1499 CA ALA A 91 -3.639 -17.973 -0.537 1.00 0.00 C ATOM 1500 C ALA A 91 -3.789 -16.467 -0.722 1.00 0.00 C ATOM 1501 O ALA A 91 -2.861 -15.792 -1.158 1.00 0.00 O ATOM 1502 CB ALA A 91 -2.820 -18.301 0.726 1.00 0.00 C ATOM 0 H ALA A 91 -2.151 -18.007 -1.998 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.631 -18.410 -0.420 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.318 -17.883 1.601 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.739 -19.382 0.837 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.823 -17.870 0.635 1.00 0.00 H new ATOM 1508 N ASP A 92 -4.989 -15.909 -0.412 1.00 0.00 N ATOM 1509 CA ASP A 92 -5.389 -14.518 -0.557 1.00 0.00 C ATOM 1510 C ASP A 92 -5.159 -13.694 0.722 1.00 0.00 C ATOM 1511 O ASP A 92 -5.795 -13.928 1.750 1.00 0.00 O ATOM 1512 CB ASP A 92 -6.830 -14.397 -1.157 1.00 0.00 C ATOM 1513 CG ASP A 92 -7.958 -14.934 -0.263 1.00 0.00 C ATOM 1514 OD1 ASP A 92 -7.983 -16.166 -0.001 1.00 0.00 O ATOM 1515 OD2 ASP A 92 -8.814 -14.112 0.158 1.00 0.00 O ATOM 0 H ASP A 92 -5.744 -16.476 -0.028 1.00 0.00 H new ATOM 0 HA ASP A 92 -4.726 -14.058 -1.290 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.029 -13.348 -1.374 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -6.856 -14.930 -2.107 1.00 0.00 H new ATOM 1520 N PHE A 93 -4.215 -12.715 0.694 1.00 0.00 N ATOM 1521 CA PHE A 93 -3.831 -11.897 1.839 1.00 0.00 C ATOM 1522 C PHE A 93 -3.991 -10.430 1.484 1.00 0.00 C ATOM 1523 O PHE A 93 -4.124 -10.070 0.314 1.00 0.00 O ATOM 1524 CB PHE A 93 -2.335 -12.108 2.247 1.00 0.00 C ATOM 1525 CG PHE A 93 -1.996 -13.562 2.470 1.00 0.00 C ATOM 1526 CD1 PHE A 93 -2.657 -14.333 3.412 1.00 0.00 C ATOM 1527 CD2 PHE A 93 -0.982 -14.150 1.732 1.00 0.00 C ATOM 1528 CE1 PHE A 93 -2.321 -15.664 3.591 1.00 0.00 C ATOM 1529 CE2 PHE A 93 -0.651 -15.476 1.898 1.00 0.00 C ATOM 1530 CZ PHE A 93 -1.318 -16.234 2.835 1.00 0.00 C ATOM 0 H PHE A 93 -3.698 -12.480 -0.153 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.473 -12.193 2.668 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -1.689 -11.703 1.468 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.127 -11.546 3.158 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.440 -13.893 4.011 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.440 -13.556 1.011 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -2.846 -16.258 4.325 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.128 -15.920 1.296 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.056 -17.272 2.977 1.00 0.00 H new ATOM 1540 N LEU A 94 -3.904 -9.543 2.511 1.00 0.00 N ATOM 1541 CA LEU A 94 -3.921 -8.096 2.389 1.00 0.00 C ATOM 1542 C LEU A 94 -2.484 -7.614 2.213 1.00 0.00 C ATOM 1543 O LEU A 94 -1.639 -7.823 3.079 1.00 0.00 O ATOM 1544 CB LEU A 94 -4.563 -7.428 3.633 1.00 0.00 C ATOM 1545 CG LEU A 94 -6.080 -7.180 3.502 1.00 0.00 C ATOM 1546 CD1 LEU A 94 -6.871 -8.485 3.393 1.00 0.00 C ATOM 1547 CD2 LEU A 94 -6.584 -6.423 4.749 1.00 0.00 C ATOM 0 H LEU A 94 -3.817 -9.850 3.480 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.525 -7.816 1.526 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.383 -8.058 4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.065 -6.477 3.819 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.235 -6.600 2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.934 -8.260 3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.541 -9.038 2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.702 -9.088 4.285 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.656 -6.246 4.659 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.388 -7.019 5.640 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.065 -5.468 4.830 1.00 0.00 H new ATOM 1559 N VAL A 95 -2.177 -6.967 1.076 1.00 0.00 N ATOM 1560 CA VAL A 95 -0.880 -6.411 0.738 1.00 0.00 C ATOM 1561 C VAL A 95 -1.020 -4.911 0.766 1.00 0.00 C ATOM 1562 O VAL A 95 -2.092 -4.394 0.457 1.00 0.00 O ATOM 1563 CB VAL A 95 -0.407 -6.783 -0.693 1.00 0.00 C ATOM 1564 CG1 VAL A 95 0.171 -8.201 -0.721 1.00 0.00 C ATOM 1565 CG2 VAL A 95 -1.526 -6.713 -1.769 1.00 0.00 C ATOM 0 H VAL A 95 -2.868 -6.817 0.341 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.156 -6.807 1.450 1.00 0.00 H new ATOM 0 HB VAL A 95 0.347 -6.036 -0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 95 0.496 -8.441 -1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 95 1.022 -8.260 -0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.593 -8.912 -0.407 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.114 -6.987 -2.740 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.327 -7.404 -1.506 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.923 -5.699 -1.816 1.00 0.00 H new ATOM 1575 N TRP A 96 0.122 -4.185 0.978 1.00 0.00 N ATOM 1576 CA TRP A 96 0.103 -2.737 0.640 1.00 0.00 C ATOM 1577 C TRP A 96 0.826 -2.733 -0.729 1.00 0.00 C ATOM 1578 O TRP A 96 1.901 -3.318 -0.908 1.00 0.00 O ATOM 1579 CB TRP A 96 0.939 -1.825 1.571 1.00 0.00 C ATOM 1580 CG TRP A 96 0.358 -1.496 2.932 1.00 0.00 C ATOM 1581 CD1 TRP A 96 -0.854 -0.988 3.318 1.00 0.00 C ATOM 1582 CD2 TRP A 96 1.164 -1.568 4.110 1.00 0.00 C ATOM 1583 NE1 TRP A 96 -0.848 -0.742 4.680 1.00 0.00 N ATOM 1584 CE2 TRP A 96 0.382 -1.147 5.180 1.00 0.00 C ATOM 1585 CE3 TRP A 96 2.459 -1.941 4.280 1.00 0.00 C ATOM 1586 CZ2 TRP A 96 0.891 -1.156 6.456 1.00 0.00 C ATOM 1587 CZ3 TRP A 96 2.948 -1.980 5.544 1.00 0.00 C ATOM 1588 CH2 TRP A 96 2.188 -1.618 6.621 1.00 0.00 C ATOM 0 H TRP A 96 0.999 -4.548 1.352 1.00 0.00 H new ATOM 0 HA TRP A 96 -0.916 -2.355 0.696 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.909 -2.299 1.724 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.122 -0.887 1.047 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -1.690 -0.807 2.658 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -1.612 -0.335 5.220 1.00 0.00 H new ATOM 0 HE3 TRP A 96 3.080 -2.198 3.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 0.304 -0.817 7.297 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 3.965 -2.306 5.704 1.00 0.00 H new ATOM 0 HH2 TRP A 96 2.604 -1.693 7.615 1.00 0.00 H new ATOM 1599 N ARG A 97 0.230 -2.097 -1.761 1.00 0.00 N ATOM 1600 CA ARG A 97 0.738 -2.129 -3.103 1.00 0.00 C ATOM 1601 C ARG A 97 0.671 -0.708 -3.573 1.00 0.00 C ATOM 1602 O ARG A 97 -0.203 0.047 -3.128 1.00 0.00 O ATOM 1603 CB ARG A 97 -0.169 -3.061 -3.963 1.00 0.00 C ATOM 1604 CG ARG A 97 -1.592 -2.525 -4.249 1.00 0.00 C ATOM 1605 CD ARG A 97 -2.491 -3.462 -5.062 1.00 0.00 C ATOM 1606 NE ARG A 97 -1.932 -3.571 -6.457 1.00 0.00 N ATOM 1607 CZ ARG A 97 -2.584 -3.199 -7.604 1.00 0.00 C ATOM 1608 NH1 ARG A 97 -3.828 -2.644 -7.568 1.00 0.00 N ATOM 1609 NH2 ARG A 97 -1.966 -3.392 -8.808 1.00 0.00 N ATOM 0 H ARG A 97 -0.624 -1.549 -1.660 1.00 0.00 H new ATOM 0 HA ARG A 97 1.755 -2.516 -3.175 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.329 -3.246 -4.915 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.256 -4.022 -3.457 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -2.081 -2.313 -3.298 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.506 -1.578 -4.781 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -2.535 -4.445 -4.594 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -3.510 -3.077 -5.092 1.00 0.00 H new ATOM 0 HE ARG A 97 -0.991 -3.953 -6.556 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.295 -2.497 -6.673 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -4.292 -2.376 -8.436 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -1.035 -3.807 -8.843 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -2.436 -3.121 -9.672 1.00 0.00 H new ATOM 1623 N TRP A 98 1.551 -0.278 -4.503 1.00 0.00 N ATOM 1624 CA TRP A 98 1.467 1.074 -5.030 1.00 0.00 C ATOM 1625 C TRP A 98 1.064 1.051 -6.449 1.00 0.00 C ATOM 1626 O TRP A 98 1.430 0.152 -7.187 1.00 0.00 O ATOM 1627 CB TRP A 98 2.742 1.877 -4.965 1.00 0.00 C ATOM 1628 CG TRP A 98 2.593 3.395 -5.057 1.00 0.00 C ATOM 1629 CD1 TRP A 98 3.676 4.034 -5.488 1.00 0.00 C ATOM 1630 CD2 TRP A 98 1.539 4.410 -4.976 1.00 0.00 C ATOM 1631 NE1 TRP A 98 3.404 5.340 -5.675 1.00 0.00 N ATOM 1632 CE2 TRP A 98 2.145 5.626 -5.274 1.00 0.00 C ATOM 1633 CE3 TRP A 98 0.191 4.381 -4.738 1.00 0.00 C ATOM 1634 CZ2 TRP A 98 1.470 6.813 -5.314 1.00 0.00 C ATOM 1635 CZ3 TRP A 98 -0.512 5.563 -4.912 1.00 0.00 C ATOM 1636 CH2 TRP A 98 0.109 6.771 -5.154 1.00 0.00 C ATOM 0 H TRP A 98 2.307 -0.844 -4.889 1.00 0.00 H new ATOM 0 HA TRP A 98 0.734 1.555 -4.383 1.00 0.00 H new ATOM 0 HB2 TRP A 98 3.248 1.639 -4.030 1.00 0.00 H new ATOM 0 HB3 TRP A 98 3.395 1.548 -5.773 1.00 0.00 H new ATOM 0 HD1 TRP A 98 4.636 3.572 -5.663 1.00 0.00 H new ATOM 0 HE1 TRP A 98 4.057 6.019 -6.065 1.00 0.00 H new ATOM 0 HE3 TRP A 98 -0.305 3.473 -4.427 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 1.988 7.748 -5.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -1.590 5.537 -4.856 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -0.474 7.678 -5.217 1.00 0.00 H new ATOM 1647 N ILE A 99 0.244 2.052 -6.827 1.00 0.00 N ATOM 1648 CA ILE A 99 -0.338 2.180 -8.136 1.00 0.00 C ATOM 1649 C ILE A 99 -0.007 3.573 -8.685 1.00 0.00 C ATOM 1650 O ILE A 99 -0.592 4.569 -8.262 1.00 0.00 O ATOM 1651 CB ILE A 99 -1.850 1.890 -7.936 1.00 0.00 C ATOM 1652 CG1 ILE A 99 -2.620 2.897 -7.014 1.00 0.00 C ATOM 1653 CG2 ILE A 99 -1.894 0.486 -7.290 1.00 0.00 C ATOM 1654 CD1 ILE A 99 -3.935 2.369 -6.411 1.00 0.00 C ATOM 0 H ILE A 99 -0.026 2.806 -6.195 1.00 0.00 H new ATOM 0 HA ILE A 99 0.049 1.487 -8.882 1.00 0.00 H new ATOM 0 HB ILE A 99 -2.350 1.977 -8.901 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -1.960 3.194 -6.199 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -2.840 3.796 -7.590 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.931 0.199 -7.113 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.427 -0.237 -7.959 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.355 0.504 -6.343 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -4.387 3.143 -5.791 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -4.621 2.100 -7.214 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.728 1.490 -5.801 1.00 0.00 H new ATOM 1666 N GLN A 100 0.940 3.702 -9.652 1.00 0.00 N ATOM 1667 CA GLN A 100 1.284 4.964 -10.302 1.00 0.00 C ATOM 1668 C GLN A 100 0.852 4.855 -11.772 1.00 0.00 C ATOM 1669 O GLN A 100 1.543 4.161 -12.519 1.00 0.00 O ATOM 1670 CB GLN A 100 2.789 5.388 -10.189 1.00 0.00 C ATOM 1671 CG GLN A 100 3.104 6.779 -10.789 1.00 0.00 C ATOM 1672 CD GLN A 100 2.175 7.854 -10.264 1.00 0.00 C ATOM 1673 OE1 GLN A 100 1.176 8.193 -10.895 1.00 0.00 O ATOM 1674 NE2 GLN A 100 2.485 8.391 -9.062 1.00 0.00 N ATOM 0 H GLN A 100 1.485 2.912 -9.996 1.00 0.00 H new ATOM 0 HA GLN A 100 0.754 5.758 -9.776 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.078 5.385 -9.138 1.00 0.00 H new ATOM 0 HB3 GLN A 100 3.404 4.641 -10.691 1.00 0.00 H new ATOM 0 HG2 GLN A 100 4.135 7.047 -10.557 1.00 0.00 H new ATOM 0 HG3 GLN A 100 3.024 6.731 -11.875 1.00 0.00 H new ATOM 0 HE21 GLN A 100 3.323 8.085 -8.567 1.00 0.00 H new ATOM 0 HE22 GLN A 100 1.881 9.102 -8.650 1.00 0.00 H new