USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 564 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 42 ASN : amide:sc= -0.0644 X(o=-0.059,f=0.27) USER MOD Set 1.2: A 99 SER OG : rot -140:sc= 0.00579 USER MOD Single : A 33 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.0584 K(o=-0.058,f=-2) USER MOD Single : A 51 LYS NZ :NH3+ 154:sc= 1.29 (180deg=1.12) USER MOD Single : A 54 THR OG1 : rot -19:sc= 1.13 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -129:sc= 0 (180deg=-0.453) USER MOD Single : A 72 ASN :FLIP amide:sc= -1.66 F(o=-2.8,f=-1.7) USER MOD Single : A 73 ASN : amide:sc= -2.02 X(o=-2,f=-1.7) USER MOD Single : A 74 ASN : amide:sc= -0.228 K(o=-0.23,f=-3.8!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= -0.096 USER MOD Single : A 85 CYS SG : rot -105:sc= -1.6 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0415) USER MOD Single : A 89 HIS : no HE2:sc= -4.88 X(o=-4.9,f=-4.7) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 97 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0176) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 367 N LEU A 29 8.413 -9.226 6.203 1.00 0.00 N ATOM 368 CA LEU A 29 9.031 -7.982 6.646 1.00 0.00 C ATOM 369 C LEU A 29 9.770 -8.183 7.965 1.00 0.00 C ATOM 370 O LEU A 29 9.523 -7.476 8.943 1.00 0.00 O ATOM 371 CB LEU A 29 7.971 -6.888 6.798 1.00 0.00 C ATOM 372 CG LEU A 29 7.475 -6.280 5.485 1.00 0.00 C ATOM 373 CD1 LEU A 29 5.989 -5.969 5.568 1.00 0.00 C ATOM 374 CD2 LEU A 29 8.266 -5.025 5.146 1.00 0.00 C ATOM 0 HA LEU A 29 9.754 -7.673 5.891 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.117 -7.303 7.334 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.380 -6.091 7.418 1.00 0.00 H new ATOM 0 HG LEU A 29 7.629 -7.009 4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.654 -5.537 4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.435 -6.887 5.763 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.810 -5.259 6.376 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.900 -4.606 4.209 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.144 -4.292 5.943 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.321 -5.277 5.043 1.00 0.00 H new ATOM 386 N PHE A 30 10.678 -9.152 7.986 1.00 0.00 N ATOM 387 CA PHE A 30 11.455 -9.447 9.183 1.00 0.00 C ATOM 388 C PHE A 30 12.498 -8.364 9.441 1.00 0.00 C ATOM 389 O PHE A 30 12.892 -8.127 10.582 1.00 0.00 O ATOM 390 CB PHE A 30 12.139 -10.809 9.050 1.00 0.00 C ATOM 391 CG PHE A 30 12.947 -10.955 7.792 1.00 0.00 C ATOM 392 CD1 PHE A 30 14.251 -10.489 7.733 1.00 0.00 C ATOM 393 CD2 PHE A 30 12.403 -11.557 6.670 1.00 0.00 C ATOM 394 CE1 PHE A 30 14.997 -10.622 6.578 1.00 0.00 C ATOM 395 CE2 PHE A 30 13.144 -11.692 5.511 1.00 0.00 C ATOM 396 CZ PHE A 30 14.443 -11.225 5.465 1.00 0.00 C ATOM 0 H PHE A 30 10.894 -9.747 7.186 1.00 0.00 H new ATOM 0 HA PHE A 30 10.770 -9.472 10.030 1.00 0.00 H new ATOM 0 HB2 PHE A 30 12.790 -10.965 9.910 1.00 0.00 H new ATOM 0 HB3 PHE A 30 11.381 -11.592 9.078 1.00 0.00 H new ATOM 0 HD1 PHE A 30 14.689 -10.017 8.600 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.388 -11.925 6.701 1.00 0.00 H new ATOM 0 HE1 PHE A 30 16.012 -10.255 6.545 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.708 -12.162 4.642 1.00 0.00 H new ATOM 0 HZ PHE A 30 15.024 -11.331 4.561 1.00 0.00 H new ATOM 406 N ASP A 31 12.942 -7.710 8.372 1.00 0.00 N ATOM 407 CA ASP A 31 13.940 -6.651 8.484 1.00 0.00 C ATOM 408 C ASP A 31 13.277 -5.277 8.520 1.00 0.00 C ATOM 409 O ASP A 31 13.780 -4.319 7.934 1.00 0.00 O ATOM 410 CB ASP A 31 14.925 -6.726 7.316 1.00 0.00 C ATOM 411 CG ASP A 31 14.232 -6.649 5.970 1.00 0.00 C ATOM 412 OD1 ASP A 31 13.161 -7.273 5.817 1.00 0.00 O ATOM 413 OD2 ASP A 31 14.762 -5.968 5.067 1.00 0.00 O ATOM 0 H ASP A 31 12.627 -7.894 7.419 1.00 0.00 H new ATOM 0 HA ASP A 31 14.483 -6.795 9.418 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.645 -5.911 7.398 1.00 0.00 H new ATOM 0 HB3 ASP A 31 15.489 -7.657 7.379 1.00 0.00 H new ATOM 418 N PHE A 32 12.145 -5.190 9.211 1.00 0.00 N ATOM 419 CA PHE A 32 11.414 -3.934 9.323 1.00 0.00 C ATOM 420 C PHE A 32 10.707 -3.836 10.672 1.00 0.00 C ATOM 421 O PHE A 32 9.941 -4.724 11.048 1.00 0.00 O ATOM 422 CB PHE A 32 10.394 -3.810 8.190 1.00 0.00 C ATOM 423 CG PHE A 32 11.016 -3.538 6.850 1.00 0.00 C ATOM 424 CD1 PHE A 32 11.617 -4.558 6.131 1.00 0.00 C ATOM 425 CD2 PHE A 32 10.998 -2.263 6.309 1.00 0.00 C ATOM 426 CE1 PHE A 32 12.190 -4.312 4.897 1.00 0.00 C ATOM 427 CE2 PHE A 32 11.569 -2.009 5.075 1.00 0.00 C ATOM 428 CZ PHE A 32 12.165 -3.036 4.369 1.00 0.00 C ATOM 0 H PHE A 32 11.715 -5.974 9.701 1.00 0.00 H new ATOM 0 HA PHE A 32 12.131 -3.117 9.247 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.814 -4.731 8.132 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.696 -3.007 8.427 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.638 -5.558 6.539 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.532 -1.457 6.857 1.00 0.00 H new ATOM 0 HE1 PHE A 32 12.656 -5.116 4.347 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.549 -1.010 4.664 1.00 0.00 H new ATOM 0 HZ PHE A 32 12.611 -2.841 3.405 1.00 0.00 H new ATOM 438 N HIS A 33 10.969 -2.753 11.395 1.00 0.00 N ATOM 439 CA HIS A 33 10.359 -2.539 12.702 1.00 0.00 C ATOM 440 C HIS A 33 9.265 -1.479 12.627 1.00 0.00 C ATOM 441 O HIS A 33 9.328 -0.567 11.804 1.00 0.00 O ATOM 442 CB HIS A 33 11.420 -2.123 13.722 1.00 0.00 C ATOM 443 CG HIS A 33 12.033 -3.278 14.452 1.00 0.00 C ATOM 444 ND1 HIS A 33 12.061 -3.391 15.824 1.00 0.00 N ATOM 445 CD2 HIS A 33 12.651 -4.387 13.971 1.00 0.00 C ATOM 446 CE1 HIS A 33 12.682 -4.540 16.129 1.00 0.00 C ATOM 447 NE2 HIS A 33 13.058 -5.182 15.040 1.00 0.00 N ATOM 0 H HIS A 33 11.600 -2.009 11.098 1.00 0.00 H new ATOM 0 HA HIS A 33 9.907 -3.478 13.021 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.207 -1.568 13.210 1.00 0.00 H new ATOM 0 HB3 HIS A 33 10.970 -1.444 14.446 1.00 0.00 H new ATOM 0 HD2 HIS A 33 12.803 -4.616 12.927 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.852 -4.893 17.135 1.00 0.00 H new ATOM 0 HE2 HIS A 33 13.546 -6.076 14.991 1.00 0.00 H new ATOM 455 N ILE A 34 8.264 -1.607 13.491 1.00 0.00 N ATOM 456 CA ILE A 34 7.156 -0.660 13.524 1.00 0.00 C ATOM 457 C ILE A 34 7.581 0.661 14.156 1.00 0.00 C ATOM 458 O ILE A 34 8.264 0.679 15.180 1.00 0.00 O ATOM 459 CB ILE A 34 5.955 -1.226 14.304 1.00 0.00 C ATOM 460 CG1 ILE A 34 5.627 -2.641 13.823 1.00 0.00 C ATOM 461 CG2 ILE A 34 4.747 -0.315 14.151 1.00 0.00 C ATOM 462 CD1 ILE A 34 5.194 -2.702 12.375 1.00 0.00 C ATOM 0 H ILE A 34 8.197 -2.358 14.178 1.00 0.00 H new ATOM 0 HA ILE A 34 6.858 -0.486 12.490 1.00 0.00 H new ATOM 0 HB ILE A 34 6.217 -1.274 15.361 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.504 -3.274 13.959 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.835 -3.054 14.448 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.906 -0.729 14.708 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.987 0.675 14.538 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.481 -0.238 13.097 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.978 -3.735 12.103 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.299 -2.096 12.237 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.993 -2.319 11.740 1.00 0.00 H new ATOM 474 N GLY A 35 7.172 1.765 13.538 1.00 0.00 N ATOM 475 CA GLY A 35 7.520 3.076 14.056 1.00 0.00 C ATOM 476 C GLY A 35 8.550 3.783 13.198 1.00 0.00 C ATOM 477 O GLY A 35 8.560 5.010 13.113 1.00 0.00 O ATOM 0 H GLY A 35 6.607 1.775 12.689 1.00 0.00 H new ATOM 0 HA2 GLY A 35 6.621 3.689 14.118 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.906 2.972 15.070 1.00 0.00 H new ATOM 481 N ASP A 36 9.421 3.006 12.560 1.00 0.00 N ATOM 482 CA ASP A 36 10.461 3.566 11.705 1.00 0.00 C ATOM 483 C ASP A 36 9.881 4.011 10.365 1.00 0.00 C ATOM 484 O ASP A 36 8.760 3.646 10.010 1.00 0.00 O ATOM 485 CB ASP A 36 11.574 2.539 11.481 1.00 0.00 C ATOM 486 CG ASP A 36 12.930 3.047 11.931 1.00 0.00 C ATOM 487 OD1 ASP A 36 12.997 3.693 12.998 1.00 0.00 O ATOM 488 OD2 ASP A 36 13.923 2.800 11.215 1.00 0.00 O ATOM 0 H ASP A 36 9.427 1.988 12.619 1.00 0.00 H new ATOM 0 HA ASP A 36 10.880 4.439 12.206 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.334 1.624 12.022 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.619 2.281 10.423 1.00 0.00 H new ATOM 493 N ARG A 37 10.652 4.802 9.626 1.00 0.00 N ATOM 494 CA ARG A 37 10.216 5.297 8.326 1.00 0.00 C ATOM 495 C ARG A 37 10.420 4.242 7.243 1.00 0.00 C ATOM 496 O ARG A 37 11.311 3.398 7.346 1.00 0.00 O ATOM 497 CB ARG A 37 10.976 6.575 7.964 1.00 0.00 C ATOM 498 CG ARG A 37 10.164 7.844 8.167 1.00 0.00 C ATOM 499 CD ARG A 37 11.055 9.075 8.235 1.00 0.00 C ATOM 500 NE ARG A 37 10.770 9.892 9.413 1.00 0.00 N ATOM 501 CZ ARG A 37 9.707 10.685 9.524 1.00 0.00 C ATOM 502 NH1 ARG A 37 8.828 10.772 8.532 1.00 0.00 N ATOM 503 NH2 ARG A 37 9.522 11.394 10.629 1.00 0.00 N ATOM 0 H ARG A 37 11.582 5.114 9.906 1.00 0.00 H new ATOM 0 HA ARG A 37 9.151 5.522 8.389 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.882 6.633 8.568 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.291 6.518 6.922 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.451 7.955 7.350 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.585 7.762 9.087 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.100 8.766 8.252 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.915 9.674 7.335 1.00 0.00 H new ATOM 0 HE ARG A 37 11.424 9.852 10.195 1.00 0.00 H new ATOM 0 HH11 ARG A 37 8.966 10.229 7.679 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.015 11.381 8.623 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.194 11.332 11.394 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.707 12.002 10.714 1.00 0.00 H new ATOM 517 N VAL A 38 9.591 4.297 6.207 1.00 0.00 N ATOM 518 CA VAL A 38 9.680 3.347 5.105 1.00 0.00 C ATOM 519 C VAL A 38 9.154 3.958 3.810 1.00 0.00 C ATOM 520 O VAL A 38 8.299 4.843 3.831 1.00 0.00 O ATOM 521 CB VAL A 38 8.891 2.060 5.408 1.00 0.00 C ATOM 522 CG1 VAL A 38 9.516 1.311 6.574 1.00 0.00 C ATOM 523 CG2 VAL A 38 7.432 2.383 5.693 1.00 0.00 C ATOM 0 H VAL A 38 8.849 4.990 6.107 1.00 0.00 H new ATOM 0 HA VAL A 38 10.735 3.099 4.986 1.00 0.00 H new ATOM 0 HB VAL A 38 8.932 1.416 4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.944 0.405 6.773 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.544 1.045 6.327 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.509 1.946 7.460 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.890 1.461 5.905 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.368 3.048 6.554 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.991 2.872 4.824 1.00 0.00 H new ATOM 533 N LEU A 39 9.673 3.480 2.683 1.00 0.00 N ATOM 534 CA LEU A 39 9.255 3.978 1.377 1.00 0.00 C ATOM 535 C LEU A 39 8.395 2.948 0.653 1.00 0.00 C ATOM 536 O LEU A 39 8.812 1.807 0.453 1.00 0.00 O ATOM 537 CB LEU A 39 10.478 4.327 0.527 1.00 0.00 C ATOM 538 CG LEU A 39 10.234 5.382 -0.555 1.00 0.00 C ATOM 539 CD1 LEU A 39 9.691 6.662 0.060 1.00 0.00 C ATOM 540 CD2 LEU A 39 11.517 5.660 -1.325 1.00 0.00 C ATOM 0 H LEU A 39 10.383 2.749 2.648 1.00 0.00 H new ATOM 0 HA LEU A 39 8.660 4.878 1.531 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.271 4.681 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.842 3.417 0.050 1.00 0.00 H new ATOM 0 HG LEU A 39 9.491 4.996 -1.252 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.524 7.400 -0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.749 6.451 0.567 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.410 7.054 0.779 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.326 6.412 -2.090 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.281 6.026 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.864 4.741 -1.798 1.00 0.00 H new ATOM 552 N ILE A 40 7.192 3.358 0.263 1.00 0.00 N ATOM 553 CA ILE A 40 6.273 2.468 -0.439 1.00 0.00 C ATOM 554 C ILE A 40 6.547 2.465 -1.939 1.00 0.00 C ATOM 555 O ILE A 40 6.419 3.492 -2.606 1.00 0.00 O ATOM 556 CB ILE A 40 4.806 2.871 -0.199 1.00 0.00 C ATOM 557 CG1 ILE A 40 4.552 3.099 1.293 1.00 0.00 C ATOM 558 CG2 ILE A 40 3.869 1.805 -0.745 1.00 0.00 C ATOM 559 CD1 ILE A 40 3.249 3.811 1.581 1.00 0.00 C ATOM 0 H ILE A 40 6.831 4.299 0.421 1.00 0.00 H new ATOM 0 HA ILE A 40 6.438 1.467 -0.040 1.00 0.00 H new ATOM 0 HB ILE A 40 4.611 3.805 -0.727 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.552 2.137 1.805 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.375 3.681 1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.836 2.104 -0.568 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.035 1.689 -1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.064 0.857 -0.243 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.134 3.939 2.657 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.254 4.788 1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.418 3.220 1.195 1.00 0.00 H new ATOM 571 N GLY A 41 6.925 1.304 -2.463 1.00 0.00 N ATOM 572 CA GLY A 41 7.211 1.187 -3.881 1.00 0.00 C ATOM 573 C GLY A 41 8.303 2.135 -4.339 1.00 0.00 C ATOM 574 O GLY A 41 8.411 2.438 -5.527 1.00 0.00 O ATOM 0 H GLY A 41 7.039 0.441 -1.931 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.508 0.162 -4.104 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.302 1.386 -4.448 1.00 0.00 H new ATOM 578 N ASN A 42 9.116 2.606 -3.397 1.00 0.00 N ATOM 579 CA ASN A 42 10.203 3.525 -3.714 1.00 0.00 C ATOM 580 C ASN A 42 9.673 4.784 -4.397 1.00 0.00 C ATOM 581 O ASN A 42 10.134 5.160 -5.475 1.00 0.00 O ATOM 582 CB ASN A 42 11.233 2.836 -4.612 1.00 0.00 C ATOM 583 CG ASN A 42 11.759 1.550 -4.006 1.00 0.00 C ATOM 584 OD1 ASN A 42 11.390 0.454 -4.428 1.00 0.00 O ATOM 585 ND2 ASN A 42 12.628 1.676 -3.010 1.00 0.00 N ATOM 0 H ASN A 42 9.042 2.366 -2.408 1.00 0.00 H new ATOM 0 HA ASN A 42 10.683 3.818 -2.780 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.781 2.620 -5.580 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.065 3.516 -4.794 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.017 0.845 -2.564 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.907 2.604 -2.691 1.00 0.00 H new ATOM 592 N VAL A 43 8.702 5.433 -3.761 1.00 0.00 N ATOM 593 CA VAL A 43 8.113 6.648 -4.307 1.00 0.00 C ATOM 594 C VAL A 43 7.220 7.339 -3.280 1.00 0.00 C ATOM 595 O VAL A 43 7.246 8.562 -3.143 1.00 0.00 O ATOM 596 CB VAL A 43 7.288 6.351 -5.577 1.00 0.00 C ATOM 597 CG1 VAL A 43 6.136 5.409 -5.260 1.00 0.00 C ATOM 598 CG2 VAL A 43 6.777 7.642 -6.199 1.00 0.00 C ATOM 0 H VAL A 43 8.308 5.137 -2.868 1.00 0.00 H new ATOM 0 HA VAL A 43 8.939 7.311 -4.567 1.00 0.00 H new ATOM 0 HB VAL A 43 7.938 5.860 -6.301 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.567 5.212 -6.168 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.530 4.471 -4.868 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.485 5.868 -4.516 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.198 7.411 -7.093 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.144 8.166 -5.482 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.622 8.276 -6.468 1.00 0.00 H new ATOM 608 N GLN A 44 6.431 6.548 -2.560 1.00 0.00 N ATOM 609 CA GLN A 44 5.531 7.084 -1.545 1.00 0.00 C ATOM 610 C GLN A 44 6.131 6.934 -0.148 1.00 0.00 C ATOM 611 O GLN A 44 6.072 5.858 0.447 1.00 0.00 O ATOM 612 CB GLN A 44 4.179 6.372 -1.609 1.00 0.00 C ATOM 613 CG GLN A 44 3.185 7.039 -2.547 1.00 0.00 C ATOM 614 CD GLN A 44 1.768 7.019 -2.005 1.00 0.00 C ATOM 615 OE1 GLN A 44 1.397 6.131 -1.238 1.00 0.00 O ATOM 616 NE2 GLN A 44 0.970 8.003 -2.402 1.00 0.00 N ATOM 0 H GLN A 44 6.397 5.534 -2.661 1.00 0.00 H new ATOM 0 HA GLN A 44 5.388 8.146 -1.746 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.335 5.342 -1.930 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.751 6.332 -0.607 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.490 8.071 -2.719 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.208 6.535 -3.513 1.00 0.00 H new ATOM 0 HE21 GLN A 44 1.320 8.718 -3.039 1.00 0.00 H new ATOM 0 HE22 GLN A 44 0.006 8.044 -2.070 1.00 0.00 H new ATOM 625 N PRO A 45 6.719 8.015 0.398 1.00 0.00 N ATOM 626 CA PRO A 45 7.327 7.991 1.732 1.00 0.00 C ATOM 627 C PRO A 45 6.285 7.924 2.843 1.00 0.00 C ATOM 628 O PRO A 45 5.148 8.364 2.669 1.00 0.00 O ATOM 629 CB PRO A 45 8.092 9.313 1.796 1.00 0.00 C ATOM 630 CG PRO A 45 7.356 10.217 0.870 1.00 0.00 C ATOM 631 CD PRO A 45 6.837 9.341 -0.238 1.00 0.00 C ATOM 0 HA PRO A 45 7.955 7.112 1.878 1.00 0.00 H new ATOM 0 HB2 PRO A 45 8.109 9.713 2.810 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.129 9.186 1.486 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.538 10.721 1.385 1.00 0.00 H new ATOM 0 HG3 PRO A 45 8.013 10.994 0.478 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.876 9.694 -0.612 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.521 9.320 -1.087 1.00 0.00 H new ATOM 639 N GLY A 46 6.680 7.372 3.986 1.00 0.00 N ATOM 640 CA GLY A 46 5.768 7.259 5.108 1.00 0.00 C ATOM 641 C GLY A 46 6.409 6.594 6.311 1.00 0.00 C ATOM 642 O GLY A 46 7.634 6.533 6.415 1.00 0.00 O ATOM 0 H GLY A 46 7.615 7.001 4.155 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.418 8.252 5.389 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.892 6.686 4.804 1.00 0.00 H new ATOM 646 N ILE A 47 5.579 6.095 7.222 1.00 0.00 N ATOM 647 CA ILE A 47 6.074 5.432 8.423 1.00 0.00 C ATOM 648 C ILE A 47 5.407 4.074 8.615 1.00 0.00 C ATOM 649 O ILE A 47 4.183 3.959 8.560 1.00 0.00 O ATOM 650 CB ILE A 47 5.832 6.290 9.681 1.00 0.00 C ATOM 651 CG1 ILE A 47 6.249 7.742 9.430 1.00 0.00 C ATOM 652 CG2 ILE A 47 6.588 5.712 10.868 1.00 0.00 C ATOM 653 CD1 ILE A 47 5.091 8.716 9.457 1.00 0.00 C ATOM 0 H ILE A 47 4.562 6.137 7.151 1.00 0.00 H new ATOM 0 HA ILE A 47 7.147 5.293 8.287 1.00 0.00 H new ATOM 0 HB ILE A 47 4.767 6.276 9.911 1.00 0.00 H new ATOM 0 HG12 ILE A 47 6.979 8.037 10.183 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.746 7.807 8.462 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.408 6.328 11.749 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.243 4.696 11.059 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.655 5.698 10.648 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.460 9.725 9.272 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.370 8.446 8.685 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.608 8.680 10.433 1.00 0.00 H new ATOM 665 N LEU A 48 6.221 3.047 8.841 1.00 0.00 N ATOM 666 CA LEU A 48 5.709 1.696 9.043 1.00 0.00 C ATOM 667 C LEU A 48 4.890 1.613 10.326 1.00 0.00 C ATOM 668 O LEU A 48 5.416 1.799 11.424 1.00 0.00 O ATOM 669 CB LEU A 48 6.865 0.694 9.096 1.00 0.00 C ATOM 670 CG LEU A 48 6.446 -0.775 9.163 1.00 0.00 C ATOM 671 CD1 LEU A 48 5.635 -1.156 7.934 1.00 0.00 C ATOM 672 CD2 LEU A 48 7.668 -1.671 9.297 1.00 0.00 C ATOM 0 H LEU A 48 7.237 3.125 8.889 1.00 0.00 H new ATOM 0 HA LEU A 48 5.061 1.449 8.202 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.491 0.838 8.215 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.482 0.920 9.966 1.00 0.00 H new ATOM 0 HG LEU A 48 5.819 -0.915 10.043 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.346 -2.205 8.000 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.740 -0.536 7.882 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.237 -1.001 7.039 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.352 -2.713 9.343 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.320 -1.528 8.436 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.209 -1.415 10.208 1.00 0.00 H new ATOM 684 N ARG A 49 3.598 1.334 10.182 1.00 0.00 N ATOM 685 CA ARG A 49 2.706 1.229 11.331 1.00 0.00 C ATOM 686 C ARG A 49 2.281 -0.218 11.563 1.00 0.00 C ATOM 687 O ARG A 49 2.028 -0.626 12.697 1.00 0.00 O ATOM 688 CB ARG A 49 1.471 2.108 11.127 1.00 0.00 C ATOM 689 CG ARG A 49 1.755 3.596 11.255 1.00 0.00 C ATOM 690 CD ARG A 49 2.324 3.944 12.622 1.00 0.00 C ATOM 691 NE ARG A 49 1.500 4.923 13.326 1.00 0.00 N ATOM 692 CZ ARG A 49 1.566 5.142 14.637 1.00 0.00 C ATOM 693 NH1 ARG A 49 2.417 4.456 15.390 1.00 0.00 N ATOM 694 NH2 ARG A 49 0.779 6.050 15.198 1.00 0.00 N ATOM 0 H ARG A 49 3.146 1.177 9.281 1.00 0.00 H new ATOM 0 HA ARG A 49 3.249 1.574 12.211 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.053 1.910 10.140 1.00 0.00 H new ATOM 0 HB3 ARG A 49 0.711 1.828 11.857 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.458 3.900 10.480 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.836 4.158 11.090 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.403 3.038 13.223 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.334 4.338 12.505 1.00 0.00 H new ATOM 0 HE ARG A 49 0.835 5.471 12.781 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.025 3.756 14.964 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.463 4.628 16.394 1.00 0.00 H new ATOM 0 HH21 ARG A 49 0.123 6.581 14.625 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.830 6.218 16.203 1.00 0.00 H new ATOM 708 N PHE A 50 2.204 -0.991 10.484 1.00 0.00 N ATOM 709 CA PHE A 50 1.810 -2.392 10.574 1.00 0.00 C ATOM 710 C PHE A 50 2.472 -3.217 9.476 1.00 0.00 C ATOM 711 O PHE A 50 2.955 -2.673 8.482 1.00 0.00 O ATOM 712 CB PHE A 50 0.288 -2.522 10.478 1.00 0.00 C ATOM 713 CG PHE A 50 -0.203 -3.936 10.603 1.00 0.00 C ATOM 714 CD1 PHE A 50 -0.326 -4.534 11.847 1.00 0.00 C ATOM 715 CD2 PHE A 50 -0.544 -4.667 9.476 1.00 0.00 C ATOM 716 CE1 PHE A 50 -0.777 -5.835 11.965 1.00 0.00 C ATOM 717 CE2 PHE A 50 -0.996 -5.968 9.587 1.00 0.00 C ATOM 718 CZ PHE A 50 -1.113 -6.552 10.833 1.00 0.00 C ATOM 0 H PHE A 50 2.409 -0.671 9.538 1.00 0.00 H new ATOM 0 HA PHE A 50 2.141 -2.775 11.539 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.170 -1.917 11.260 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.044 -2.114 9.523 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.066 -3.977 12.735 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.455 -4.214 8.499 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.867 -6.290 12.940 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.257 -6.527 8.701 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.467 -7.568 10.922 1.00 0.00 H new ATOM 728 N LYS A 51 2.491 -4.533 9.661 1.00 0.00 N ATOM 729 CA LYS A 51 3.093 -5.435 8.687 1.00 0.00 C ATOM 730 C LYS A 51 2.859 -6.891 9.075 1.00 0.00 C ATOM 731 O LYS A 51 3.486 -7.406 9.999 1.00 0.00 O ATOM 732 CB LYS A 51 4.594 -5.163 8.567 1.00 0.00 C ATOM 733 CG LYS A 51 5.322 -5.169 9.902 1.00 0.00 C ATOM 734 CD LYS A 51 6.331 -6.303 9.985 1.00 0.00 C ATOM 735 CE LYS A 51 7.231 -6.161 11.201 1.00 0.00 C ATOM 736 NZ LYS A 51 8.229 -7.263 11.286 1.00 0.00 N ATOM 0 H LYS A 51 2.096 -4.999 10.478 1.00 0.00 H new ATOM 0 HA LYS A 51 2.619 -5.254 7.722 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.040 -5.915 7.916 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.742 -4.196 8.086 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.832 -4.216 10.043 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.598 -5.266 10.711 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.805 -7.257 10.030 1.00 0.00 H new ATOM 0 HD3 LYS A 51 6.939 -6.317 9.081 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.750 -5.204 11.158 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.621 -6.153 12.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 9.063 -6.936 11.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.806 -8.077 11.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.515 -7.547 10.327 1.00 0.00 H new ATOM 750 N GLY A 52 1.948 -7.547 8.364 1.00 0.00 N ATOM 751 CA GLY A 52 1.645 -8.937 8.648 1.00 0.00 C ATOM 752 C GLY A 52 0.451 -9.443 7.863 1.00 0.00 C ATOM 753 O GLY A 52 -0.070 -8.743 6.993 1.00 0.00 O ATOM 0 H GLY A 52 1.414 -7.140 7.596 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.515 -9.550 8.415 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.450 -9.053 9.714 1.00 0.00 H new ATOM 757 N GLU A 53 0.016 -10.661 8.168 1.00 0.00 N ATOM 758 CA GLU A 53 -1.123 -11.260 7.484 1.00 0.00 C ATOM 759 C GLU A 53 -2.434 -10.657 7.981 1.00 0.00 C ATOM 760 O GLU A 53 -2.764 -10.754 9.163 1.00 0.00 O ATOM 761 CB GLU A 53 -1.133 -12.775 7.694 1.00 0.00 C ATOM 762 CG GLU A 53 -0.125 -13.515 6.832 1.00 0.00 C ATOM 763 CD GLU A 53 0.209 -14.891 7.376 1.00 0.00 C ATOM 764 OE1 GLU A 53 -0.653 -15.484 8.059 1.00 0.00 O ATOM 765 OE2 GLU A 53 1.331 -15.375 7.120 1.00 0.00 O ATOM 0 H GLU A 53 0.436 -11.253 8.885 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.027 -11.049 6.419 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.928 -12.989 8.743 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.131 -13.157 7.480 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.520 -13.614 5.821 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.789 -12.925 6.760 1.00 0.00 H new ATOM 772 N THR A 54 -3.175 -10.034 7.071 1.00 0.00 N ATOM 773 CA THR A 54 -4.449 -9.415 7.418 1.00 0.00 C ATOM 774 C THR A 54 -5.589 -10.426 7.328 1.00 0.00 C ATOM 775 O THR A 54 -5.358 -11.621 7.142 1.00 0.00 O ATOM 776 CB THR A 54 -4.732 -8.230 6.494 1.00 0.00 C ATOM 777 OG1 THR A 54 -5.006 -8.674 5.177 1.00 0.00 O ATOM 778 CG2 THR A 54 -3.585 -7.245 6.415 1.00 0.00 C ATOM 0 H THR A 54 -2.916 -9.944 6.089 1.00 0.00 H new ATOM 0 HA THR A 54 -4.382 -9.059 8.446 1.00 0.00 H new ATOM 0 HB THR A 54 -5.595 -7.726 6.929 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.661 -9.584 5.060 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.852 -6.429 5.743 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.380 -6.845 7.408 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.696 -7.751 6.037 1.00 0.00 H new ATOM 786 N SER A 55 -6.818 -9.938 7.463 1.00 0.00 N ATOM 787 CA SER A 55 -7.992 -10.799 7.397 1.00 0.00 C ATOM 788 C SER A 55 -8.707 -10.643 6.059 1.00 0.00 C ATOM 789 O SER A 55 -9.181 -11.620 5.479 1.00 0.00 O ATOM 790 CB SER A 55 -8.954 -10.475 8.542 1.00 0.00 C ATOM 791 OG SER A 55 -9.584 -11.648 9.028 1.00 0.00 O ATOM 0 H SER A 55 -7.026 -8.952 7.619 1.00 0.00 H new ATOM 0 HA SER A 55 -7.659 -11.832 7.493 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.410 -9.989 9.352 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.710 -9.769 8.197 1.00 0.00 H new ATOM 0 HG SER A 55 -10.192 -11.413 9.760 1.00 0.00 H new ATOM 797 N PHE A 56 -8.781 -9.409 5.574 1.00 0.00 N ATOM 798 CA PHE A 56 -9.437 -9.124 4.303 1.00 0.00 C ATOM 799 C PHE A 56 -8.715 -9.815 3.151 1.00 0.00 C ATOM 800 O PHE A 56 -9.334 -10.202 2.159 1.00 0.00 O ATOM 801 CB PHE A 56 -9.487 -7.616 4.057 1.00 0.00 C ATOM 802 CG PHE A 56 -8.153 -6.939 4.199 1.00 0.00 C ATOM 803 CD1 PHE A 56 -7.237 -6.959 3.159 1.00 0.00 C ATOM 804 CD2 PHE A 56 -7.816 -6.284 5.372 1.00 0.00 C ATOM 805 CE1 PHE A 56 -6.010 -6.338 3.287 1.00 0.00 C ATOM 806 CE2 PHE A 56 -6.590 -5.661 5.506 1.00 0.00 C ATOM 807 CZ PHE A 56 -5.686 -5.688 4.463 1.00 0.00 C ATOM 0 H PHE A 56 -8.395 -8.589 6.042 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.455 -9.510 4.354 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -9.873 -7.432 3.054 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.190 -7.165 4.757 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -7.485 -7.466 2.238 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.519 -6.260 6.191 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -5.305 -6.360 2.469 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.339 -5.153 6.426 1.00 0.00 H new ATOM 0 HZ PHE A 56 -4.727 -5.202 4.566 1.00 0.00 H new ATOM 817 N ALA A 57 -7.402 -9.968 3.288 1.00 0.00 N ATOM 818 CA ALA A 57 -6.596 -10.613 2.259 1.00 0.00 C ATOM 819 C ALA A 57 -5.363 -11.276 2.862 1.00 0.00 C ATOM 820 O ALA A 57 -4.768 -10.760 3.808 1.00 0.00 O ATOM 821 CB ALA A 57 -6.187 -9.601 1.198 1.00 0.00 C ATOM 0 H ALA A 57 -6.874 -9.654 4.102 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.202 -11.389 1.792 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.585 -10.096 0.436 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.079 -9.176 0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.603 -8.805 1.660 1.00 0.00 H new ATOM 827 N LYS A 58 -4.984 -12.424 2.308 1.00 0.00 N ATOM 828 CA LYS A 58 -3.820 -13.159 2.792 1.00 0.00 C ATOM 829 C LYS A 58 -2.530 -12.417 2.455 1.00 0.00 C ATOM 830 O LYS A 58 -2.561 -11.295 1.950 1.00 0.00 O ATOM 831 CB LYS A 58 -3.793 -14.564 2.185 1.00 0.00 C ATOM 832 CG LYS A 58 -4.080 -15.666 3.191 1.00 0.00 C ATOM 833 CD LYS A 58 -2.811 -16.397 3.597 1.00 0.00 C ATOM 834 CE LYS A 58 -3.067 -17.366 4.741 1.00 0.00 C ATOM 835 NZ LYS A 58 -1.808 -17.991 5.232 1.00 0.00 N ATOM 0 H LYS A 58 -5.465 -12.865 1.524 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.895 -13.241 3.876 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.527 -14.618 1.381 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -2.815 -14.738 1.737 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.553 -15.238 4.075 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.788 -16.375 2.762 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.413 -16.941 2.740 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.052 -15.673 3.895 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.554 -16.839 5.561 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.754 -18.145 4.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.026 -18.644 6.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.355 -18.516 4.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.162 -17.250 5.572 1.00 0.00 H new ATOM 849 N GLY A 59 -1.398 -13.053 2.740 1.00 0.00 N ATOM 850 CA GLY A 59 -0.113 -12.439 2.462 1.00 0.00 C ATOM 851 C GLY A 59 0.213 -11.309 3.420 1.00 0.00 C ATOM 852 O GLY A 59 -0.650 -10.858 4.172 1.00 0.00 O ATOM 0 H GLY A 59 -1.348 -13.982 3.158 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.668 -13.197 2.521 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.110 -12.057 1.441 1.00 0.00 H new ATOM 856 N PHE A 60 1.461 -10.853 3.390 1.00 0.00 N ATOM 857 CA PHE A 60 1.900 -9.770 4.262 1.00 0.00 C ATOM 858 C PHE A 60 1.391 -8.424 3.754 1.00 0.00 C ATOM 859 O PHE A 60 1.398 -8.160 2.552 1.00 0.00 O ATOM 860 CB PHE A 60 3.427 -9.751 4.356 1.00 0.00 C ATOM 861 CG PHE A 60 3.957 -10.328 5.638 1.00 0.00 C ATOM 862 CD1 PHE A 60 3.998 -11.700 5.829 1.00 0.00 C ATOM 863 CD2 PHE A 60 4.414 -9.500 6.649 1.00 0.00 C ATOM 864 CE1 PHE A 60 4.484 -12.235 7.007 1.00 0.00 C ATOM 865 CE2 PHE A 60 4.902 -10.028 7.830 1.00 0.00 C ATOM 866 CZ PHE A 60 4.936 -11.398 8.009 1.00 0.00 C ATOM 0 H PHE A 60 2.186 -11.217 2.771 1.00 0.00 H new ATOM 0 HA PHE A 60 1.485 -9.943 5.255 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.841 -10.310 3.517 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.776 -8.723 4.258 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.646 -12.359 5.049 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.389 -8.429 6.514 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.510 -13.306 7.144 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.256 -9.371 8.611 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.315 -11.814 8.931 1.00 0.00 H new ATOM 876 N TRP A 61 0.949 -7.578 4.678 1.00 0.00 N ATOM 877 CA TRP A 61 0.437 -6.259 4.324 1.00 0.00 C ATOM 878 C TRP A 61 1.017 -5.186 5.239 1.00 0.00 C ATOM 879 O TRP A 61 0.620 -5.061 6.397 1.00 0.00 O ATOM 880 CB TRP A 61 -1.091 -6.245 4.406 1.00 0.00 C ATOM 881 CG TRP A 61 -1.753 -6.924 3.246 1.00 0.00 C ATOM 882 CD1 TRP A 61 -2.328 -8.161 3.241 1.00 0.00 C ATOM 883 CD2 TRP A 61 -1.907 -6.402 1.921 1.00 0.00 C ATOM 884 NE1 TRP A 61 -2.831 -8.442 1.992 1.00 0.00 N ATOM 885 CE2 TRP A 61 -2.585 -7.378 1.165 1.00 0.00 C ATOM 886 CE3 TRP A 61 -1.539 -5.205 1.300 1.00 0.00 C ATOM 887 CZ2 TRP A 61 -2.901 -7.192 -0.178 1.00 0.00 C ATOM 888 CZ3 TRP A 61 -1.853 -5.023 -0.034 1.00 0.00 C ATOM 889 CH2 TRP A 61 -2.529 -6.011 -0.760 1.00 0.00 C ATOM 0 H TRP A 61 0.935 -7.782 5.677 1.00 0.00 H new ATOM 0 HA TRP A 61 0.742 -6.040 3.301 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.403 -6.733 5.330 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.436 -5.212 4.459 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.381 -8.823 4.093 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.309 -9.302 1.725 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -1.019 -4.436 1.852 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.421 -7.953 -0.741 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -1.572 -4.103 -0.525 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -2.761 -5.837 -1.800 1.00 0.00 H new ATOM 900 N ALA A 62 1.962 -4.415 4.711 1.00 0.00 N ATOM 901 CA ALA A 62 2.600 -3.354 5.479 1.00 0.00 C ATOM 902 C ALA A 62 1.770 -2.074 5.444 1.00 0.00 C ATOM 903 O ALA A 62 1.540 -1.501 4.379 1.00 0.00 O ATOM 904 CB ALA A 62 4.003 -3.092 4.951 1.00 0.00 C ATOM 0 H ALA A 62 2.302 -4.506 3.754 1.00 0.00 H new ATOM 0 HA ALA A 62 2.669 -3.681 6.516 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.468 -2.297 5.534 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.599 -4.001 5.036 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.948 -2.790 3.905 1.00 0.00 H new ATOM 910 N GLY A 63 1.324 -1.632 6.616 1.00 0.00 N ATOM 911 CA GLY A 63 0.526 -0.423 6.696 1.00 0.00 C ATOM 912 C GLY A 63 1.370 0.808 6.963 1.00 0.00 C ATOM 913 O GLY A 63 1.600 1.174 8.115 1.00 0.00 O ATOM 0 H GLY A 63 1.501 -2.089 7.510 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.022 -0.290 5.763 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.215 -0.531 7.488 1.00 0.00 H new ATOM 917 N VAL A 64 1.833 1.448 5.895 1.00 0.00 N ATOM 918 CA VAL A 64 2.657 2.644 6.019 1.00 0.00 C ATOM 919 C VAL A 64 1.797 3.893 6.175 1.00 0.00 C ATOM 920 O VAL A 64 0.743 4.015 5.551 1.00 0.00 O ATOM 921 CB VAL A 64 3.579 2.819 4.797 1.00 0.00 C ATOM 922 CG1 VAL A 64 4.554 3.965 5.020 1.00 0.00 C ATOM 923 CG2 VAL A 64 4.322 1.526 4.500 1.00 0.00 C ATOM 0 H VAL A 64 1.652 1.158 4.934 1.00 0.00 H new ATOM 0 HA VAL A 64 3.268 2.515 6.912 1.00 0.00 H new ATOM 0 HB VAL A 64 2.962 3.064 3.932 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.196 4.072 4.146 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.999 4.890 5.178 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.167 3.756 5.897 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.968 1.668 3.634 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.927 1.248 5.363 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.604 0.734 4.290 1.00 0.00 H new ATOM 933 N GLU A 65 2.253 4.818 7.013 1.00 0.00 N ATOM 934 CA GLU A 65 1.525 6.060 7.251 1.00 0.00 C ATOM 935 C GLU A 65 2.113 7.201 6.429 1.00 0.00 C ATOM 936 O GLU A 65 3.179 7.727 6.751 1.00 0.00 O ATOM 937 CB GLU A 65 1.558 6.417 8.739 1.00 0.00 C ATOM 938 CG GLU A 65 0.610 7.546 9.113 1.00 0.00 C ATOM 939 CD GLU A 65 1.310 8.683 9.830 1.00 0.00 C ATOM 940 OE1 GLU A 65 1.787 8.466 10.964 1.00 0.00 O ATOM 941 OE2 GLU A 65 1.380 9.792 9.259 1.00 0.00 O ATOM 0 H GLU A 65 3.123 4.732 7.539 1.00 0.00 H new ATOM 0 HA GLU A 65 0.490 5.911 6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.305 5.532 9.323 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.574 6.700 9.014 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.134 7.929 8.211 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.183 7.154 9.750 1.00 0.00 H new ATOM 948 N LEU A 66 1.412 7.581 5.366 1.00 0.00 N ATOM 949 CA LEU A 66 1.865 8.661 4.497 1.00 0.00 C ATOM 950 C LEU A 66 1.744 10.011 5.195 1.00 0.00 C ATOM 951 O LEU A 66 0.876 10.205 6.047 1.00 0.00 O ATOM 952 CB LEU A 66 1.056 8.670 3.198 1.00 0.00 C ATOM 953 CG LEU A 66 0.982 7.327 2.471 1.00 0.00 C ATOM 954 CD1 LEU A 66 -0.001 7.401 1.313 1.00 0.00 C ATOM 955 CD2 LEU A 66 2.360 6.912 1.978 1.00 0.00 C ATOM 0 H LEU A 66 0.528 7.157 5.085 1.00 0.00 H new ATOM 0 HA LEU A 66 2.915 8.489 4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.042 9.001 3.422 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.490 9.408 2.523 1.00 0.00 H new ATOM 0 HG LEU A 66 0.627 6.573 3.174 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.041 6.436 0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.991 7.653 1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.324 8.167 0.609 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.289 5.954 1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.743 7.666 1.290 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.037 6.818 2.827 1.00 0.00 H new ATOM 967 N ASP A 67 2.618 10.942 4.828 1.00 0.00 N ATOM 968 CA ASP A 67 2.609 12.276 5.419 1.00 0.00 C ATOM 969 C ASP A 67 1.403 13.076 4.936 1.00 0.00 C ATOM 970 O ASP A 67 0.794 13.821 5.703 1.00 0.00 O ATOM 971 CB ASP A 67 3.900 13.019 5.073 1.00 0.00 C ATOM 972 CG ASP A 67 4.994 12.783 6.096 1.00 0.00 C ATOM 973 OD1 ASP A 67 4.720 12.938 7.305 1.00 0.00 O ATOM 974 OD2 ASP A 67 6.125 12.444 5.687 1.00 0.00 O ATOM 0 H ASP A 67 3.342 10.798 4.124 1.00 0.00 H new ATOM 0 HA ASP A 67 2.541 12.166 6.501 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.249 12.698 4.091 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.694 14.087 5.005 1.00 0.00 H new ATOM 979 N LYS A 68 1.066 12.914 3.661 1.00 0.00 N ATOM 980 CA LYS A 68 -0.068 13.621 3.076 1.00 0.00 C ATOM 981 C LYS A 68 -1.250 12.676 2.868 1.00 0.00 C ATOM 982 O LYS A 68 -1.075 11.461 2.788 1.00 0.00 O ATOM 983 CB LYS A 68 0.334 14.254 1.743 1.00 0.00 C ATOM 984 CG LYS A 68 1.264 15.448 1.893 1.00 0.00 C ATOM 985 CD LYS A 68 2.714 15.059 1.652 1.00 0.00 C ATOM 986 CE LYS A 68 3.671 16.024 2.332 1.00 0.00 C ATOM 987 NZ LYS A 68 4.961 15.372 2.688 1.00 0.00 N ATOM 0 H LYS A 68 1.561 12.300 3.014 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.372 14.407 3.768 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.821 13.500 1.124 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.565 14.569 1.214 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.973 16.227 1.189 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.160 15.868 2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.888 14.050 2.025 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.914 15.042 0.581 1.00 0.00 H new ATOM 0 HE2 LYS A 68 3.862 16.870 1.672 1.00 0.00 H new ATOM 0 HE3 LYS A 68 3.205 16.422 3.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.179 15.557 3.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.886 14.346 2.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.721 15.757 2.091 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.473 13.226 2.778 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.685 12.425 2.579 1.00 0.00 C ATOM 1003 C PRO A 69 -3.747 11.807 1.186 1.00 0.00 C ATOM 1004 O PRO A 69 -4.580 12.189 0.363 1.00 0.00 O ATOM 1005 CB PRO A 69 -4.818 13.435 2.772 1.00 0.00 C ATOM 1006 CG PRO A 69 -4.210 14.753 2.437 1.00 0.00 C ATOM 1007 CD PRO A 69 -2.772 14.668 2.864 1.00 0.00 C ATOM 0 HA PRO A 69 -3.733 11.580 3.266 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -5.663 13.212 2.121 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.192 13.420 3.796 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -4.288 14.958 1.369 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -4.724 15.562 2.956 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.124 15.252 2.211 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -2.630 15.048 3.876 1.00 0.00 H new ATOM 1015 N GLU A 70 -2.861 10.851 0.927 1.00 0.00 N ATOM 1016 CA GLU A 70 -2.814 10.179 -0.366 1.00 0.00 C ATOM 1017 C GLU A 70 -3.331 8.748 -0.256 1.00 0.00 C ATOM 1018 O GLU A 70 -3.894 8.206 -1.205 1.00 0.00 O ATOM 1019 CB GLU A 70 -1.386 10.178 -0.912 1.00 0.00 C ATOM 1020 CG GLU A 70 -0.763 11.563 -0.991 1.00 0.00 C ATOM 1021 CD GLU A 70 -0.778 12.129 -2.397 1.00 0.00 C ATOM 1022 OE1 GLU A 70 -0.417 11.392 -3.339 1.00 0.00 O ATOM 1023 OE2 GLU A 70 -1.149 13.311 -2.558 1.00 0.00 O ATOM 0 H GLU A 70 -2.165 10.524 1.597 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.458 10.726 -1.055 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.764 9.545 -0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.387 9.732 -1.906 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.301 12.238 -0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.266 11.516 -0.633 1.00 0.00 H new ATOM 1030 N GLY A 71 -3.134 8.142 0.911 1.00 0.00 N ATOM 1031 CA GLY A 71 -3.587 6.781 1.125 1.00 0.00 C ATOM 1032 C GLY A 71 -5.087 6.638 0.971 1.00 0.00 C ATOM 1033 O GLY A 71 -5.728 7.441 0.292 1.00 0.00 O ATOM 0 H GLY A 71 -2.669 8.570 1.712 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.088 6.120 0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.295 6.457 2.124 1.00 0.00 H new ATOM 1037 N ASN A 72 -5.651 5.613 1.601 1.00 0.00 N ATOM 1038 CA ASN A 72 -7.086 5.369 1.530 1.00 0.00 C ATOM 1039 C ASN A 72 -7.582 4.654 2.782 1.00 0.00 C ATOM 1040 O ASN A 72 -8.536 3.879 2.731 1.00 0.00 O ATOM 1041 CB ASN A 72 -7.423 4.539 0.289 1.00 0.00 C ATOM 1042 CG ASN A 72 -6.772 5.086 -0.967 1.00 0.00 C ATOM 1043 OD1 ASN A 72 -5.497 4.768 -1.159 1.00 0.00 O flip ATOM 1044 ND2 ASN A 72 -7.408 5.787 -1.754 1.00 0.00 N flip ATOM 0 H ASN A 72 -5.136 4.938 2.166 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.588 6.334 1.462 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.099 3.510 0.444 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.504 4.515 0.154 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.386 6.006 -1.566 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.957 6.149 -2.594 1.00 0.00 H new ATOM 1051 N ASN A 73 -6.927 4.921 3.909 1.00 0.00 N ATOM 1052 CA ASN A 73 -7.301 4.302 5.175 1.00 0.00 C ATOM 1053 C ASN A 73 -6.751 5.098 6.354 1.00 0.00 C ATOM 1054 O ASN A 73 -5.819 5.887 6.204 1.00 0.00 O ATOM 1055 CB ASN A 73 -6.789 2.862 5.235 1.00 0.00 C ATOM 1056 CG ASN A 73 -7.633 1.912 4.408 1.00 0.00 C ATOM 1057 OD1 ASN A 73 -8.692 1.463 4.846 1.00 0.00 O ATOM 1058 ND2 ASN A 73 -7.165 1.600 3.205 1.00 0.00 N ATOM 0 H ASN A 73 -6.135 5.561 3.970 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.389 4.296 5.239 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.759 2.831 4.880 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.779 2.526 6.272 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.689 0.964 2.603 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.282 1.996 2.883 1.00 0.00 H new ATOM 1065 N ASN A 74 -7.337 4.883 7.529 1.00 0.00 N ATOM 1066 CA ASN A 74 -6.906 5.579 8.736 1.00 0.00 C ATOM 1067 C ASN A 74 -6.456 4.586 9.803 1.00 0.00 C ATOM 1068 O ASN A 74 -6.631 4.821 10.998 1.00 0.00 O ATOM 1069 CB ASN A 74 -8.041 6.449 9.280 1.00 0.00 C ATOM 1070 CG ASN A 74 -9.348 5.690 9.393 1.00 0.00 C ATOM 1071 OD1 ASN A 74 -9.817 5.090 8.426 1.00 0.00 O ATOM 1072 ND2 ASN A 74 -9.945 5.714 10.580 1.00 0.00 N ATOM 0 H ASN A 74 -8.110 4.233 7.670 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.061 6.216 8.477 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.762 6.834 10.261 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.180 7.311 8.627 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -10.828 5.222 10.717 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.520 6.224 11.354 1.00 0.00 H new ATOM 1079 N GLY A 75 -5.874 3.475 9.362 1.00 0.00 N ATOM 1080 CA GLY A 75 -5.407 2.464 10.290 1.00 0.00 C ATOM 1081 C GLY A 75 -6.413 1.347 10.487 1.00 0.00 C ATOM 1082 O GLY A 75 -6.037 0.193 10.691 1.00 0.00 O ATOM 0 H GLY A 75 -5.718 3.258 8.378 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.470 2.044 9.924 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.193 2.930 11.252 1.00 0.00 H new ATOM 1086 N THR A 76 -7.696 1.689 10.426 1.00 0.00 N ATOM 1087 CA THR A 76 -8.759 0.707 10.599 1.00 0.00 C ATOM 1088 C THR A 76 -9.265 0.210 9.249 1.00 0.00 C ATOM 1089 O THR A 76 -9.899 0.953 8.501 1.00 0.00 O ATOM 1090 CB THR A 76 -9.914 1.310 11.399 1.00 0.00 C ATOM 1091 OG1 THR A 76 -9.424 2.131 12.444 1.00 0.00 O ATOM 1092 CG2 THR A 76 -10.820 0.269 12.020 1.00 0.00 C ATOM 0 H THR A 76 -8.024 2.640 10.258 1.00 0.00 H new ATOM 0 HA THR A 76 -8.350 -0.141 11.148 1.00 0.00 H new ATOM 0 HB THR A 76 -10.493 1.889 10.679 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.178 2.509 12.944 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.618 0.764 12.573 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.253 -0.351 11.235 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.242 -0.357 12.700 1.00 0.00 H new ATOM 1100 N TYR A 77 -8.982 -1.053 8.945 1.00 0.00 N ATOM 1101 CA TYR A 77 -9.409 -1.650 7.685 1.00 0.00 C ATOM 1102 C TYR A 77 -10.713 -2.422 7.863 1.00 0.00 C ATOM 1103 O TYR A 77 -10.714 -3.556 8.342 1.00 0.00 O ATOM 1104 CB TYR A 77 -8.322 -2.579 7.143 1.00 0.00 C ATOM 1105 CG TYR A 77 -8.386 -2.777 5.645 1.00 0.00 C ATOM 1106 CD1 TYR A 77 -9.526 -3.291 5.041 1.00 0.00 C ATOM 1107 CD2 TYR A 77 -7.306 -2.447 4.836 1.00 0.00 C ATOM 1108 CE1 TYR A 77 -9.587 -3.473 3.672 1.00 0.00 C ATOM 1109 CE2 TYR A 77 -7.360 -2.625 3.466 1.00 0.00 C ATOM 1110 CZ TYR A 77 -8.503 -3.138 2.889 1.00 0.00 C ATOM 1111 OH TYR A 77 -8.561 -3.317 1.526 1.00 0.00 O ATOM 0 H TYR A 77 -8.459 -1.682 9.554 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.579 -0.846 6.969 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.345 -2.174 7.406 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.407 -3.549 7.633 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -10.378 -3.553 5.650 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.410 -2.045 5.285 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.480 -3.876 3.218 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.512 -2.364 2.851 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.715 -3.031 1.122 1.00 0.00 H new ATOM 1121 N ASP A 78 -11.821 -1.800 7.474 1.00 0.00 N ATOM 1122 CA ASP A 78 -13.131 -2.430 7.590 1.00 0.00 C ATOM 1123 C ASP A 78 -13.452 -2.755 9.045 1.00 0.00 C ATOM 1124 O ASP A 78 -14.147 -3.729 9.336 1.00 0.00 O ATOM 1125 CB ASP A 78 -13.185 -3.704 6.746 1.00 0.00 C ATOM 1126 CG ASP A 78 -13.683 -3.445 5.337 1.00 0.00 C ATOM 1127 OD1 ASP A 78 -13.213 -2.472 4.712 1.00 0.00 O ATOM 1128 OD2 ASP A 78 -14.543 -4.215 4.862 1.00 0.00 O ATOM 0 H ASP A 78 -11.838 -0.861 7.076 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.878 -1.727 7.221 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.191 -4.149 6.701 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -13.837 -4.430 7.231 1.00 0.00 H new ATOM 1133 N GLY A 79 -12.940 -1.934 9.957 1.00 0.00 N ATOM 1134 CA GLY A 79 -13.183 -2.152 11.371 1.00 0.00 C ATOM 1135 C GLY A 79 -11.950 -2.644 12.103 1.00 0.00 C ATOM 1136 O GLY A 79 -11.767 -2.359 13.287 1.00 0.00 O ATOM 0 H GLY A 79 -12.361 -1.122 9.742 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.524 -1.222 11.825 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -13.987 -2.879 11.490 1.00 0.00 H new ATOM 1140 N ILE A 80 -11.103 -3.386 11.398 1.00 0.00 N ATOM 1141 CA ILE A 80 -9.880 -3.919 11.988 1.00 0.00 C ATOM 1142 C ILE A 80 -8.850 -2.816 12.205 1.00 0.00 C ATOM 1143 O ILE A 80 -8.197 -2.369 11.263 1.00 0.00 O ATOM 1144 CB ILE A 80 -9.262 -5.018 11.104 1.00 0.00 C ATOM 1145 CG1 ILE A 80 -10.330 -6.032 10.689 1.00 0.00 C ATOM 1146 CG2 ILE A 80 -8.123 -5.710 11.837 1.00 0.00 C ATOM 1147 CD1 ILE A 80 -11.031 -6.683 11.861 1.00 0.00 C ATOM 0 H ILE A 80 -11.241 -3.632 10.418 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.155 -4.351 12.950 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.860 -4.554 10.203 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.071 -5.533 10.064 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.867 -6.806 10.077 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.697 -6.484 11.199 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.353 -4.980 12.085 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -8.502 -6.163 12.753 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.775 -7.390 11.493 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.301 -7.211 12.474 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.523 -5.918 12.461 1.00 0.00 H new ATOM 1159 N ALA A 81 -8.710 -2.381 13.453 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.759 -1.331 13.795 1.00 0.00 C ATOM 1161 C ALA A 81 -6.344 -1.888 13.917 1.00 0.00 C ATOM 1162 O ALA A 81 -5.982 -2.469 14.940 1.00 0.00 O ATOM 1163 CB ALA A 81 -8.173 -0.646 15.089 1.00 0.00 C ATOM 0 H ALA A 81 -9.244 -2.740 14.244 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.762 -0.596 12.990 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.454 0.136 15.333 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.162 -0.204 14.967 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.200 -1.378 15.896 1.00 0.00 H new ATOM 1169 N TYR A 82 -5.549 -1.706 12.868 1.00 0.00 N ATOM 1170 CA TYR A 82 -4.173 -2.189 12.858 1.00 0.00 C ATOM 1171 C TYR A 82 -3.231 -1.159 13.473 1.00 0.00 C ATOM 1172 O TYR A 82 -2.222 -1.512 14.082 1.00 0.00 O ATOM 1173 CB TYR A 82 -3.734 -2.510 11.429 1.00 0.00 C ATOM 1174 CG TYR A 82 -4.456 -3.692 10.823 1.00 0.00 C ATOM 1175 CD1 TYR A 82 -4.028 -4.990 11.067 1.00 0.00 C ATOM 1176 CD2 TYR A 82 -5.566 -3.508 10.008 1.00 0.00 C ATOM 1177 CE1 TYR A 82 -4.686 -6.074 10.515 1.00 0.00 C ATOM 1178 CE2 TYR A 82 -6.228 -4.587 9.452 1.00 0.00 C ATOM 1179 CZ TYR A 82 -5.785 -5.866 9.709 1.00 0.00 C ATOM 1180 OH TYR A 82 -6.442 -6.942 9.159 1.00 0.00 O ATOM 0 H TYR A 82 -5.834 -1.227 12.014 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.129 -3.099 13.457 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.899 -1.634 10.802 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.662 -2.708 11.423 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.167 -5.156 11.698 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.917 -2.507 9.806 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.341 -7.078 10.714 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -7.089 -4.428 8.819 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.195 -6.624 8.618 1.00 0.00 H new ATOM 1190 N PHE A 83 -3.568 0.116 13.308 1.00 0.00 N ATOM 1191 CA PHE A 83 -2.752 1.198 13.845 1.00 0.00 C ATOM 1192 C PHE A 83 -3.533 2.508 13.868 1.00 0.00 C ATOM 1193 O PHE A 83 -4.673 2.570 13.407 1.00 0.00 O ATOM 1194 CB PHE A 83 -1.479 1.365 13.015 1.00 0.00 C ATOM 1195 CG PHE A 83 -1.735 1.469 11.538 1.00 0.00 C ATOM 1196 CD1 PHE A 83 -1.815 0.330 10.753 1.00 0.00 C ATOM 1197 CD2 PHE A 83 -1.897 2.707 10.936 1.00 0.00 C ATOM 1198 CE1 PHE A 83 -2.052 0.424 9.395 1.00 0.00 C ATOM 1199 CE2 PHE A 83 -2.134 2.806 9.578 1.00 0.00 C ATOM 1200 CZ PHE A 83 -2.211 1.663 8.807 1.00 0.00 C ATOM 0 H PHE A 83 -4.401 0.425 12.807 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.479 0.940 14.868 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.952 2.259 13.348 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.819 0.518 13.202 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.691 -0.642 11.208 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.837 3.604 11.535 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.113 -0.471 8.794 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -2.259 3.776 9.120 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.395 1.738 7.746 1.00 0.00 H new ATOM 1210 N GLU A 84 -2.912 3.551 14.408 1.00 0.00 N ATOM 1211 CA GLU A 84 -3.549 4.861 14.491 1.00 0.00 C ATOM 1212 C GLU A 84 -2.847 5.867 13.585 1.00 0.00 C ATOM 1213 O GLU A 84 -1.618 5.916 13.532 1.00 0.00 O ATOM 1214 CB GLU A 84 -3.540 5.365 15.936 1.00 0.00 C ATOM 1215 CG GLU A 84 -4.209 6.719 16.113 1.00 0.00 C ATOM 1216 CD GLU A 84 -3.258 7.776 16.640 1.00 0.00 C ATOM 1217 OE1 GLU A 84 -2.611 8.457 15.816 1.00 0.00 O ATOM 1218 OE2 GLU A 84 -3.160 7.922 17.877 1.00 0.00 O ATOM 0 H GLU A 84 -1.969 3.515 14.795 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.581 4.757 14.156 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.043 4.635 16.570 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.509 5.431 16.283 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.616 7.047 15.156 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.050 6.618 16.799 1.00 0.00 H new ATOM 1225 N CYS A 85 -3.634 6.667 12.873 1.00 0.00 N ATOM 1226 CA CYS A 85 -3.087 7.671 11.970 1.00 0.00 C ATOM 1227 C CYS A 85 -4.166 8.659 11.534 1.00 0.00 C ATOM 1228 O CYS A 85 -5.298 8.608 12.012 1.00 0.00 O ATOM 1229 CB CYS A 85 -2.466 7.001 10.743 1.00 0.00 C ATOM 1230 SG CYS A 85 -3.640 6.054 9.746 1.00 0.00 S ATOM 0 H CYS A 85 -4.653 6.639 12.905 1.00 0.00 H new ATOM 0 HA CYS A 85 -2.313 8.220 12.506 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.009 7.767 10.117 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.666 6.337 11.071 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.457 4.783 9.950 1.00 0.00 H new ATOM 1236 N LYS A 86 -3.803 9.557 10.624 1.00 0.00 N ATOM 1237 CA LYS A 86 -4.735 10.560 10.122 1.00 0.00 C ATOM 1238 C LYS A 86 -5.951 9.905 9.474 1.00 0.00 C ATOM 1239 O LYS A 86 -6.163 8.700 9.602 1.00 0.00 O ATOM 1240 CB LYS A 86 -4.035 11.467 9.108 1.00 0.00 C ATOM 1241 CG LYS A 86 -4.231 12.950 9.383 1.00 0.00 C ATOM 1242 CD LYS A 86 -2.905 13.663 9.602 1.00 0.00 C ATOM 1243 CE LYS A 86 -2.839 14.974 8.833 1.00 0.00 C ATOM 1244 NZ LYS A 86 -2.464 16.116 9.713 1.00 0.00 N ATOM 0 H LYS A 86 -2.869 9.611 10.219 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.076 11.157 10.968 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -2.968 11.244 9.108 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.408 11.238 8.110 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.757 13.409 8.546 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.862 13.076 10.263 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.767 13.857 10.666 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.087 13.015 9.288 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.113 14.885 8.025 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.806 15.173 8.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.430 16.991 9.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.170 16.218 10.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.530 15.938 10.133 1.00 0.00 H new ATOM 1258 N GLU A 87 -6.742 10.712 8.774 1.00 0.00 N ATOM 1259 CA GLU A 87 -7.933 10.218 8.097 1.00 0.00 C ATOM 1260 C GLU A 87 -7.643 9.957 6.624 1.00 0.00 C ATOM 1261 O GLU A 87 -7.718 10.864 5.796 1.00 0.00 O ATOM 1262 CB GLU A 87 -9.080 11.222 8.239 1.00 0.00 C ATOM 1263 CG GLU A 87 -10.292 10.662 8.966 1.00 0.00 C ATOM 1264 CD GLU A 87 -10.142 10.712 10.474 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -9.001 10.576 10.961 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -11.166 10.886 11.168 1.00 0.00 O ATOM 0 H GLU A 87 -6.578 11.712 8.661 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.228 9.278 8.564 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.719 12.100 8.775 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.384 11.556 7.247 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.178 11.225 8.674 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.453 9.630 8.655 1.00 0.00 H new ATOM 1273 N LYS A 88 -7.305 8.708 6.308 1.00 0.00 N ATOM 1274 CA LYS A 88 -6.991 8.306 4.937 1.00 0.00 C ATOM 1275 C LYS A 88 -5.560 8.691 4.575 1.00 0.00 C ATOM 1276 O LYS A 88 -5.283 9.108 3.451 1.00 0.00 O ATOM 1277 CB LYS A 88 -7.972 8.934 3.940 1.00 0.00 C ATOM 1278 CG LYS A 88 -9.415 8.929 4.418 1.00 0.00 C ATOM 1279 CD LYS A 88 -10.388 8.970 3.251 1.00 0.00 C ATOM 1280 CE LYS A 88 -11.827 9.082 3.730 1.00 0.00 C ATOM 1281 NZ LYS A 88 -12.128 10.434 4.273 1.00 0.00 N ATOM 0 H LYS A 88 -7.241 7.951 6.989 1.00 0.00 H new ATOM 0 HA LYS A 88 -7.088 7.222 4.880 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.667 9.962 3.742 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -7.910 8.396 2.994 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.599 8.036 5.015 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.587 9.787 5.067 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -10.151 9.817 2.607 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -10.273 8.069 2.648 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -12.503 8.864 2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -12.013 8.332 4.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -13.148 10.513 4.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -11.599 10.579 5.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -11.848 11.157 3.580 1.00 0.00 H new ATOM 1295 N HIS A 89 -4.656 8.542 5.538 1.00 0.00 N ATOM 1296 CA HIS A 89 -3.251 8.868 5.327 1.00 0.00 C ATOM 1297 C HIS A 89 -2.416 7.597 5.200 1.00 0.00 C ATOM 1298 O HIS A 89 -1.418 7.567 4.482 1.00 0.00 O ATOM 1299 CB HIS A 89 -2.725 9.726 6.480 1.00 0.00 C ATOM 1300 CG HIS A 89 -2.777 11.196 6.204 1.00 0.00 C ATOM 1301 ND1 HIS A 89 -1.694 12.039 6.330 1.00 0.00 N ATOM 1302 CD2 HIS A 89 -3.813 11.975 5.801 1.00 0.00 C ATOM 1303 CE1 HIS A 89 -2.098 13.275 6.007 1.00 0.00 C ATOM 1304 NE2 HIS A 89 -3.375 13.290 5.677 1.00 0.00 N ATOM 0 H HIS A 89 -4.872 8.197 6.473 1.00 0.00 H new ATOM 0 HA HIS A 89 -3.168 9.433 4.399 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.307 9.512 7.376 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.695 9.441 6.694 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -0.753 11.770 6.618 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -4.818 11.629 5.607 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -1.460 14.147 6.016 1.00 0.00 H new ATOM 1312 N GLY A 90 -2.837 6.549 5.901 1.00 0.00 N ATOM 1313 CA GLY A 90 -2.122 5.288 5.854 1.00 0.00 C ATOM 1314 C GLY A 90 -2.520 4.442 4.661 1.00 0.00 C ATOM 1315 O GLY A 90 -3.549 4.689 4.033 1.00 0.00 O ATOM 0 H GLY A 90 -3.662 6.551 6.501 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.050 5.482 5.817 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.313 4.731 6.771 1.00 0.00 H new ATOM 1319 N ILE A 91 -1.702 3.443 4.345 1.00 0.00 N ATOM 1320 CA ILE A 91 -1.977 2.561 3.219 1.00 0.00 C ATOM 1321 C ILE A 91 -1.295 1.208 3.400 1.00 0.00 C ATOM 1322 O ILE A 91 -0.095 1.138 3.668 1.00 0.00 O ATOM 1323 CB ILE A 91 -1.514 3.190 1.889 1.00 0.00 C ATOM 1324 CG1 ILE A 91 -1.909 2.299 0.708 1.00 0.00 C ATOM 1325 CG2 ILE A 91 -0.010 3.422 1.904 1.00 0.00 C ATOM 1326 CD1 ILE A 91 -2.252 3.074 -0.545 1.00 0.00 C ATOM 0 H ILE A 91 -0.845 3.225 4.853 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.057 2.415 3.185 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.009 4.154 1.773 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.089 1.615 0.489 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.766 1.689 0.994 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.299 3.866 0.958 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.246 4.095 2.722 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.504 2.471 2.043 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.522 2.379 -1.340 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.092 3.739 -0.343 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.389 3.663 -0.856 1.00 0.00 H new ATOM 1338 N PHE A 92 -2.066 0.137 3.250 1.00 0.00 N ATOM 1339 CA PHE A 92 -1.536 -1.214 3.396 1.00 0.00 C ATOM 1340 C PHE A 92 -0.936 -1.707 2.084 1.00 0.00 C ATOM 1341 O PHE A 92 -1.659 -2.061 1.152 1.00 0.00 O ATOM 1342 CB PHE A 92 -2.637 -2.171 3.856 1.00 0.00 C ATOM 1343 CG PHE A 92 -3.199 -1.834 5.208 1.00 0.00 C ATOM 1344 CD1 PHE A 92 -4.043 -0.748 5.371 1.00 0.00 C ATOM 1345 CD2 PHE A 92 -2.883 -2.605 6.315 1.00 0.00 C ATOM 1346 CE1 PHE A 92 -4.561 -0.436 6.613 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -3.398 -2.299 7.560 1.00 0.00 C ATOM 1348 CZ PHE A 92 -4.239 -1.212 7.710 1.00 0.00 C ATOM 0 H PHE A 92 -3.061 0.178 3.027 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.749 -1.188 4.149 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.444 -2.162 3.124 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.239 -3.185 3.880 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.299 -0.138 4.517 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.226 -3.455 6.203 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.217 0.414 6.727 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.144 -2.908 8.415 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.643 -0.970 8.682 1.00 0.00 H new ATOM 1358 N ALA A 93 0.391 -1.728 2.017 1.00 0.00 N ATOM 1359 CA ALA A 93 1.088 -2.178 0.819 1.00 0.00 C ATOM 1360 C ALA A 93 1.898 -3.442 1.098 1.00 0.00 C ATOM 1361 O ALA A 93 2.442 -3.611 2.190 1.00 0.00 O ATOM 1362 CB ALA A 93 1.993 -1.076 0.289 1.00 0.00 C ATOM 0 H ALA A 93 1.005 -1.439 2.779 1.00 0.00 H new ATOM 0 HA ALA A 93 0.341 -2.415 0.061 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.507 -1.426 -0.606 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.393 -0.199 0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.728 -0.811 1.049 1.00 0.00 H new ATOM 1368 N PRO A 94 1.992 -4.350 0.111 1.00 0.00 N ATOM 1369 CA PRO A 94 2.741 -5.602 0.259 1.00 0.00 C ATOM 1370 C PRO A 94 4.158 -5.369 0.780 1.00 0.00 C ATOM 1371 O PRO A 94 4.671 -4.252 0.724 1.00 0.00 O ATOM 1372 CB PRO A 94 2.780 -6.162 -1.164 1.00 0.00 C ATOM 1373 CG PRO A 94 1.575 -5.592 -1.827 1.00 0.00 C ATOM 1374 CD PRO A 94 1.375 -4.228 -1.224 1.00 0.00 C ATOM 0 HA PRO A 94 2.277 -6.273 0.982 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.693 -5.867 -1.681 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.753 -7.252 -1.162 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.718 -5.524 -2.905 1.00 0.00 H new ATOM 0 HG3 PRO A 94 0.703 -6.224 -1.660 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.855 -3.451 -1.819 1.00 0.00 H new ATOM 0 HD3 PRO A 94 0.318 -3.970 -1.156 1.00 0.00 H new ATOM 1382 N PRO A 95 4.810 -6.426 1.293 1.00 0.00 N ATOM 1383 CA PRO A 95 6.175 -6.330 1.825 1.00 0.00 C ATOM 1384 C PRO A 95 7.182 -5.924 0.755 1.00 0.00 C ATOM 1385 O PRO A 95 8.050 -5.084 0.992 1.00 0.00 O ATOM 1386 CB PRO A 95 6.471 -7.747 2.329 1.00 0.00 C ATOM 1387 CG PRO A 95 5.506 -8.625 1.609 1.00 0.00 C ATOM 1388 CD PRO A 95 4.274 -7.794 1.395 1.00 0.00 C ATOM 0 HA PRO A 95 6.255 -5.568 2.600 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.501 -8.034 2.115 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.338 -7.817 3.409 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.919 -8.963 0.659 1.00 0.00 H new ATOM 0 HG3 PRO A 95 5.279 -9.517 2.193 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.742 -8.087 0.490 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.572 -7.892 2.223 1.00 0.00 H new ATOM 1396 N GLN A 96 7.060 -6.525 -0.424 1.00 0.00 N ATOM 1397 CA GLN A 96 7.959 -6.225 -1.533 1.00 0.00 C ATOM 1398 C GLN A 96 7.916 -4.742 -1.891 1.00 0.00 C ATOM 1399 O GLN A 96 8.851 -4.211 -2.491 1.00 0.00 O ATOM 1400 CB GLN A 96 7.591 -7.066 -2.756 1.00 0.00 C ATOM 1401 CG GLN A 96 6.138 -6.922 -3.179 1.00 0.00 C ATOM 1402 CD GLN A 96 5.857 -7.554 -4.528 1.00 0.00 C ATOM 1403 OE1 GLN A 96 6.563 -8.466 -4.958 1.00 0.00 O ATOM 1404 NE2 GLN A 96 4.823 -7.069 -5.205 1.00 0.00 N ATOM 0 H GLN A 96 6.347 -7.223 -0.636 1.00 0.00 H new ATOM 0 HA GLN A 96 8.973 -6.473 -1.219 1.00 0.00 H new ATOM 0 HB2 GLN A 96 8.233 -6.781 -3.589 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.796 -8.115 -2.540 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.497 -7.382 -2.426 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.878 -5.864 -3.216 1.00 0.00 H new ATOM 0 HE21 GLN A 96 4.265 -6.312 -4.810 1.00 0.00 H new ATOM 0 HE22 GLN A 96 4.587 -7.453 -6.120 1.00 0.00 H new ATOM 1413 N LYS A 97 6.825 -4.075 -1.522 1.00 0.00 N ATOM 1414 CA LYS A 97 6.664 -2.654 -1.807 1.00 0.00 C ATOM 1415 C LYS A 97 7.046 -1.806 -0.597 1.00 0.00 C ATOM 1416 O LYS A 97 6.448 -0.760 -0.348 1.00 0.00 O ATOM 1417 CB LYS A 97 5.221 -2.356 -2.218 1.00 0.00 C ATOM 1418 CG LYS A 97 4.758 -3.148 -3.429 1.00 0.00 C ATOM 1419 CD LYS A 97 4.479 -2.243 -4.619 1.00 0.00 C ATOM 1420 CE LYS A 97 3.254 -2.701 -5.393 1.00 0.00 C ATOM 1421 NZ LYS A 97 1.989 -2.260 -4.744 1.00 0.00 N ATOM 0 H LYS A 97 6.040 -4.497 -1.025 1.00 0.00 H new ATOM 0 HA LYS A 97 7.331 -2.398 -2.630 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.561 -2.573 -1.378 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.125 -1.292 -2.432 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.520 -3.879 -3.699 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.856 -3.706 -3.176 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.330 -1.220 -4.272 1.00 0.00 H new ATOM 0 HD3 LYS A 97 5.345 -2.233 -5.280 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.298 -2.306 -6.408 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.261 -3.788 -5.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.188 -2.780 -5.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.038 -2.451 -3.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 1.856 -1.240 -4.900 1.00 0.00 H new ATOM 1435 N ILE A 98 8.046 -2.264 0.150 1.00 0.00 N ATOM 1436 CA ILE A 98 8.506 -1.544 1.332 1.00 0.00 C ATOM 1437 C ILE A 98 10.029 -1.521 1.403 1.00 0.00 C ATOM 1438 O ILE A 98 10.667 -2.557 1.586 1.00 0.00 O ATOM 1439 CB ILE A 98 7.952 -2.173 2.625 1.00 0.00 C ATOM 1440 CG1 ILE A 98 6.439 -2.370 2.514 1.00 0.00 C ATOM 1441 CG2 ILE A 98 8.294 -1.304 3.827 1.00 0.00 C ATOM 1442 CD1 ILE A 98 5.663 -1.074 2.430 1.00 0.00 C ATOM 0 H ILE A 98 8.552 -3.129 -0.042 1.00 0.00 H new ATOM 0 HA ILE A 98 8.133 -0.523 1.245 1.00 0.00 H new ATOM 0 HB ILE A 98 8.417 -3.149 2.765 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.223 -2.971 1.630 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.091 -2.937 3.377 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.896 -1.762 4.732 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.377 -1.212 3.913 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.855 -0.315 3.698 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.598 -1.292 2.353 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.848 -0.480 3.325 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.983 -0.515 1.551 1.00 0.00 H new ATOM 1454 N SER A 99 10.604 -0.332 1.259 1.00 0.00 N ATOM 1455 CA SER A 99 12.052 -0.172 1.309 1.00 0.00 C ATOM 1456 C SER A 99 12.440 0.968 2.244 1.00 0.00 C ATOM 1457 O SER A 99 11.776 2.005 2.285 1.00 0.00 O ATOM 1458 CB SER A 99 12.606 0.092 -0.094 1.00 0.00 C ATOM 1459 OG SER A 99 11.820 -0.551 -1.081 1.00 0.00 O ATOM 0 H SER A 99 10.089 0.535 1.107 1.00 0.00 H new ATOM 0 HA SER A 99 12.482 -1.097 1.694 1.00 0.00 H new ATOM 0 HB2 SER A 99 12.628 1.165 -0.284 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.635 -0.263 -0.155 1.00 0.00 H new ATOM 0 HG SER A 99 12.405 -0.928 -1.771 1.00 0.00 H new ATOM 1465 N HIS A 100 13.519 0.770 2.995 1.00 0.00 N ATOM 1466 CA HIS A 100 13.995 1.783 3.932 1.00 0.00 C ATOM 1467 C HIS A 100 14.270 3.101 3.216 1.00 0.00 C ATOM 1468 O HIS A 100 15.010 3.143 2.233 1.00 0.00 O ATOM 1469 CB HIS A 100 15.263 1.299 4.637 1.00 0.00 C ATOM 1470 CG HIS A 100 15.027 0.156 5.575 1.00 0.00 C ATOM 1471 ND1 HIS A 100 15.348 -1.152 5.288 1.00 0.00 N ATOM 1472 CD2 HIS A 100 14.490 0.144 6.822 1.00 0.00 C ATOM 1473 CE1 HIS A 100 15.003 -1.901 6.344 1.00 0.00 C ATOM 1474 NE2 HIS A 100 14.478 -1.162 7.302 1.00 0.00 N ATOM 0 H HIS A 100 14.080 -0.082 2.973 1.00 0.00 H new ATOM 0 HA HIS A 100 13.215 1.950 4.675 1.00 0.00 H new ATOM 0 HB2 HIS A 100 15.994 0.997 3.886 1.00 0.00 H new ATOM 0 HB3 HIS A 100 15.700 2.129 5.192 1.00 0.00 H new ATOM 0 HD2 HIS A 100 14.129 1.010 7.356 1.00 0.00 H new ATOM 0 HE1 HIS A 100 15.137 -2.971 6.403 1.00 0.00 H new ATOM 0 HE2 HIS A 100 14.134 -1.482 8.208 1.00 0.00 H new ATOM 1482 N ILE A 101 13.669 4.177 3.715 1.00 0.00 N ATOM 1483 CA ILE A 101 13.850 5.496 3.123 1.00 0.00 C ATOM 1484 C ILE A 101 15.305 5.952 3.235 1.00 0.00 C ATOM 1485 O ILE A 101 15.889 5.916 4.318 1.00 0.00 O ATOM 1486 CB ILE A 101 12.941 6.545 3.794 1.00 0.00 C ATOM 1487 CG1 ILE A 101 11.491 6.056 3.819 1.00 0.00 C ATOM 1488 CG2 ILE A 101 13.043 7.879 3.069 1.00 0.00 C ATOM 1489 CD1 ILE A 101 10.531 7.040 4.454 1.00 0.00 C ATOM 0 H ILE A 101 13.053 4.160 4.528 1.00 0.00 H new ATOM 0 HA ILE A 101 13.577 5.412 2.071 1.00 0.00 H new ATOM 0 HB ILE A 101 13.275 6.687 4.822 1.00 0.00 H new ATOM 0 HG12 ILE A 101 11.167 5.852 2.798 1.00 0.00 H new ATOM 0 HG13 ILE A 101 11.444 5.112 4.363 1.00 0.00 H new ATOM 0 HG21 ILE A 101 12.395 8.608 3.556 1.00 0.00 H new ATOM 0 HG22 ILE A 101 14.074 8.232 3.100 1.00 0.00 H new ATOM 0 HG23 ILE A 101 12.733 7.754 2.031 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.522 6.627 4.437 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.830 7.226 5.486 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.549 7.977 3.897 1.00 0.00 H new ATOM 1501 N PRO A 102 15.913 6.389 2.117 1.00 0.00 N ATOM 1502 CA PRO A 102 17.305 6.851 2.107 1.00 0.00 C ATOM 1503 C PRO A 102 17.566 7.920 3.163 1.00 0.00 C ATOM 1504 O PRO A 102 16.648 8.618 3.593 1.00 0.00 O ATOM 1505 CB PRO A 102 17.480 7.433 0.704 1.00 0.00 C ATOM 1506 CG PRO A 102 16.465 6.728 -0.129 1.00 0.00 C ATOM 1507 CD PRO A 102 15.296 6.469 0.779 1.00 0.00 C ATOM 0 HA PRO A 102 18.002 6.045 2.337 1.00 0.00 H new ATOM 0 HB2 PRO A 102 17.316 8.511 0.699 1.00 0.00 H new ATOM 0 HB3 PRO A 102 18.489 7.262 0.328 1.00 0.00 H new ATOM 0 HG2 PRO A 102 16.169 7.337 -0.983 1.00 0.00 H new ATOM 0 HG3 PRO A 102 16.865 5.795 -0.526 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.559 7.270 0.724 1.00 0.00 H new ATOM 0 HD3 PRO A 102 14.782 5.544 0.518 1.00 0.00 H new