USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 411 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 55 ASN : amide:sc= -14! C(o=-16!,f=-16!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 160:sc= -1.56 (180deg=-1.54!) USER MOD Set 2.1: A 45 LYS NZ :NH3+ -171:sc= -0.0133 (180deg=0) USER MOD Set 2.2: A 49 MET CE :methyl -132:sc= -0.228 (180deg=0) USER MOD Single : A 32 TYR OH : rot 30:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.758 F(o=-2.3!,f=-0.76) USER MOD Single : A 34 HIS :FLIP no HE2:sc= -14.5! C(o=-16!,f=-14!) USER MOD Single : A 39 ASN : amide:sc= -1.89 K(o=-1.9,f=-9.7!) USER MOD Single : A 47 THR OG1 : rot 89:sc= 0.52 USER MOD Single : A 53 MET CE :methyl -150:sc= -0.866 (180deg=-2.47) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.053) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.1 USER MOD Single : A 73 GLN : amide:sc= -0.356 X(o=-0.36,f=-0.088) USER MOD ----------------------------------------------------------------- ATOM 362 N VAL A 26 6.915 2.928 -1.015 1.00 0.00 N ATOM 363 CA VAL A 26 6.791 4.381 -1.102 1.00 0.00 C ATOM 364 C VAL A 26 5.404 4.844 -0.673 1.00 0.00 C ATOM 365 O VAL A 26 5.263 5.820 0.064 1.00 0.00 O ATOM 366 CB VAL A 26 7.091 4.892 -2.533 1.00 0.00 C ATOM 367 CG1 VAL A 26 5.866 4.785 -3.431 1.00 0.00 C ATOM 368 CG2 VAL A 26 7.602 6.326 -2.491 1.00 0.00 C ATOM 0 HA VAL A 26 7.530 4.803 -0.420 1.00 0.00 H new ATOM 0 HB VAL A 26 7.868 4.257 -2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.112 5.152 -4.427 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.552 3.743 -3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.056 5.383 -3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.808 6.669 -3.505 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.847 6.968 -2.037 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.517 6.369 -1.901 1.00 0.00 H new ATOM 378 N LEU A 27 4.384 4.136 -1.140 1.00 0.00 N ATOM 379 CA LEU A 27 3.007 4.474 -0.807 1.00 0.00 C ATOM 380 C LEU A 27 2.767 4.378 0.693 1.00 0.00 C ATOM 381 O LEU A 27 2.235 5.303 1.301 1.00 0.00 O ATOM 382 CB LEU A 27 2.034 3.549 -1.536 1.00 0.00 C ATOM 383 CG LEU A 27 2.198 3.491 -3.054 1.00 0.00 C ATOM 384 CD1 LEU A 27 1.116 2.621 -3.673 1.00 0.00 C ATOM 385 CD2 LEU A 27 2.178 4.892 -3.654 1.00 0.00 C ATOM 0 H LEU A 27 4.484 3.325 -1.750 1.00 0.00 H new ATOM 0 HA LEU A 27 2.835 5.502 -1.126 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.148 2.541 -1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.017 3.868 -1.309 1.00 0.00 H new ATOM 0 HG LEU A 27 3.166 3.043 -3.278 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.248 2.591 -4.755 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.187 1.611 -3.270 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.136 3.037 -3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.296 4.826 -4.736 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.228 5.374 -3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.995 5.479 -3.235 1.00 0.00 H new ATOM 397 N GLY A 28 3.154 3.248 1.282 1.00 0.00 N ATOM 398 CA GLY A 28 2.950 3.047 2.705 1.00 0.00 C ATOM 399 C GLY A 28 3.660 4.084 3.549 1.00 0.00 C ATOM 400 O GLY A 28 3.105 4.572 4.534 1.00 0.00 O ATOM 0 H GLY A 28 3.604 2.470 0.799 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.882 3.076 2.923 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.305 2.054 2.982 1.00 0.00 H new ATOM 404 N GLU A 29 4.879 4.436 3.163 1.00 0.00 N ATOM 405 CA GLU A 29 5.642 5.440 3.897 1.00 0.00 C ATOM 406 C GLU A 29 4.924 6.783 3.842 1.00 0.00 C ATOM 407 O GLU A 29 4.676 7.411 4.873 1.00 0.00 O ATOM 408 CB GLU A 29 7.048 5.579 3.315 1.00 0.00 C ATOM 409 CG GLU A 29 7.900 4.333 3.483 1.00 0.00 C ATOM 410 CD GLU A 29 8.764 4.382 4.729 1.00 0.00 C ATOM 411 OE1 GLU A 29 9.828 5.032 4.688 1.00 0.00 O ATOM 412 OE2 GLU A 29 8.373 3.770 5.746 1.00 0.00 O ATOM 0 H GLU A 29 5.359 4.045 2.352 1.00 0.00 H new ATOM 0 HA GLU A 29 5.725 5.119 4.935 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.971 5.817 2.254 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.550 6.420 3.795 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.252 3.458 3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.538 4.212 2.607 1.00 0.00 H new ATOM 419 N ARG A 30 4.586 7.209 2.630 1.00 0.00 N ATOM 420 CA ARG A 30 3.888 8.473 2.425 1.00 0.00 C ATOM 421 C ARG A 30 2.444 8.391 2.918 1.00 0.00 C ATOM 422 O ARG A 30 1.780 9.412 3.085 1.00 0.00 O ATOM 423 CB ARG A 30 3.908 8.854 0.944 1.00 0.00 C ATOM 424 CG ARG A 30 5.304 8.902 0.346 1.00 0.00 C ATOM 425 CD ARG A 30 6.148 9.990 0.990 1.00 0.00 C ATOM 426 NE ARG A 30 7.493 10.044 0.423 1.00 0.00 N ATOM 427 CZ ARG A 30 7.767 10.499 -0.798 1.00 0.00 C ATOM 428 NH1 ARG A 30 6.796 10.954 -1.582 1.00 0.00 N ATOM 429 NH2 ARG A 30 9.020 10.501 -1.237 1.00 0.00 N ATOM 0 H ARG A 30 4.785 6.695 1.772 1.00 0.00 H new ATOM 0 HA ARG A 30 4.406 9.239 3.002 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.307 8.137 0.385 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.436 9.829 0.822 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.791 7.936 0.478 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.235 9.080 -0.727 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.659 10.955 0.857 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.213 9.811 2.063 1.00 0.00 H new ATOM 0 HE ARG A 30 8.269 9.713 0.997 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.832 10.957 -1.250 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.015 11.301 -2.516 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.770 10.154 -0.639 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.232 10.849 -2.172 1.00 0.00 H new ATOM 443 N LEU A 31 1.962 7.170 3.148 1.00 0.00 N ATOM 444 CA LEU A 31 0.599 6.963 3.616 1.00 0.00 C ATOM 445 C LEU A 31 0.492 7.252 5.109 1.00 0.00 C ATOM 446 O LEU A 31 -0.249 8.135 5.540 1.00 0.00 O ATOM 447 CB LEU A 31 0.180 5.519 3.346 1.00 0.00 C ATOM 448 CG LEU A 31 -1.087 5.351 2.511 1.00 0.00 C ATOM 449 CD1 LEU A 31 -0.785 4.635 1.205 1.00 0.00 C ATOM 450 CD2 LEU A 31 -2.138 4.589 3.297 1.00 0.00 C ATOM 0 H LEU A 31 2.498 6.312 3.017 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.060 7.646 3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 31 0.999 5.009 2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.034 5.016 4.302 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.473 6.343 2.275 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.704 4.527 0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.062 5.215 0.631 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.373 3.649 1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.036 4.477 2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.752 3.604 3.560 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.382 5.138 4.206 1.00 0.00 H new ATOM 462 N TYR A 32 1.238 6.489 5.891 1.00 0.00 N ATOM 463 CA TYR A 32 1.249 6.630 7.341 1.00 0.00 C ATOM 464 C TYR A 32 1.455 8.087 7.760 1.00 0.00 C ATOM 465 O TYR A 32 0.927 8.528 8.774 1.00 0.00 O ATOM 466 CB TYR A 32 2.362 5.744 7.916 1.00 0.00 C ATOM 467 CG TYR A 32 2.141 5.291 9.344 1.00 0.00 C ATOM 468 CD1 TYR A 32 2.143 6.204 10.385 1.00 0.00 C ATOM 469 CD2 TYR A 32 1.951 3.947 9.649 1.00 0.00 C ATOM 470 CE1 TYR A 32 1.956 5.799 11.694 1.00 0.00 C ATOM 471 CE2 TYR A 32 1.767 3.532 10.956 1.00 0.00 C ATOM 472 CZ TYR A 32 1.770 4.463 11.972 1.00 0.00 C ATOM 473 OH TYR A 32 1.587 4.057 13.275 1.00 0.00 O ATOM 0 H TYR A 32 1.853 5.755 5.541 1.00 0.00 H new ATOM 0 HA TYR A 32 0.282 6.315 7.734 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.469 4.863 7.283 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.304 6.290 7.865 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.293 7.252 10.171 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.947 3.217 8.854 1.00 0.00 H new ATOM 0 HE1 TYR A 32 1.956 6.526 12.493 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.622 2.485 11.179 1.00 0.00 H new ATOM 0 HH TYR A 32 1.152 4.773 13.783 1.00 0.00 H new ATOM 483 N ASN A 33 2.232 8.822 6.970 1.00 0.00 N ATOM 484 CA ASN A 33 2.521 10.230 7.250 1.00 0.00 C ATOM 485 C ASN A 33 1.279 11.103 7.137 1.00 0.00 C ATOM 486 O ASN A 33 1.082 12.022 7.932 1.00 0.00 O ATOM 487 CB ASN A 33 3.604 10.730 6.286 1.00 0.00 C ATOM 488 CG ASN A 33 3.681 12.245 6.195 1.00 0.00 C ATOM 489 OD1 ASN A 33 2.688 12.858 5.552 1.00 0.00 O flip ATOM 490 ND2 ASN A 33 4.621 12.859 6.700 1.00 0.00 N flip ATOM 0 H ASN A 33 2.677 8.465 6.124 1.00 0.00 H new ATOM 0 HA ASN A 33 2.874 10.301 8.279 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.571 10.343 6.607 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.411 10.323 5.293 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.361 12.351 7.184 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.660 13.876 6.635 1.00 0.00 H new ATOM 497 N HIS A 34 0.456 10.836 6.140 1.00 0.00 N ATOM 498 CA HIS A 34 -0.745 11.623 5.940 1.00 0.00 C ATOM 499 C HIS A 34 -1.679 11.476 7.131 1.00 0.00 C ATOM 500 O HIS A 34 -2.318 12.430 7.568 1.00 0.00 O ATOM 501 CB HIS A 34 -1.457 11.193 4.652 1.00 0.00 C ATOM 502 CG HIS A 34 -2.184 9.885 4.737 1.00 0.00 C ATOM 503 ND1 HIS A 34 -3.143 9.469 5.590 1.00 0.00 N flip ATOM 504 CD2 HIS A 34 -1.969 8.834 3.875 1.00 0.00 C flip ATOM 505 CE1 HIS A 34 -3.488 8.192 5.239 1.00 0.00 C flip ATOM 506 NE2 HIS A 34 -2.765 7.829 4.203 1.00 0.00 N flip ATOM 0 H HIS A 34 0.596 10.087 5.462 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.460 12.671 5.848 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -2.169 11.970 4.371 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.721 11.131 3.851 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.540 10.009 6.359 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.262 8.830 3.059 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.231 7.583 5.732 1.00 0.00 H new ATOM 515 N ILE A 35 -1.771 10.249 7.614 1.00 0.00 N ATOM 516 CA ILE A 35 -2.651 9.915 8.730 1.00 0.00 C ATOM 517 C ILE A 35 -1.941 9.900 10.089 1.00 0.00 C ATOM 518 O ILE A 35 -2.601 9.966 11.121 1.00 0.00 O ATOM 519 CB ILE A 35 -3.348 8.553 8.504 1.00 0.00 C ATOM 520 CG1 ILE A 35 -4.067 8.095 9.778 1.00 0.00 C ATOM 521 CG2 ILE A 35 -2.347 7.505 8.040 1.00 0.00 C ATOM 522 CD1 ILE A 35 -5.132 7.050 9.537 1.00 0.00 C ATOM 0 H ILE A 35 -1.242 9.457 7.249 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.393 10.713 8.759 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.094 8.678 7.719 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.331 7.695 10.475 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.523 8.961 10.258 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.859 6.555 7.887 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.892 7.826 7.103 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.572 7.382 8.797 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.595 6.777 10.485 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.890 7.452 8.865 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.680 6.167 9.087 1.00 0.00 H new ATOM 534 N VAL A 36 -0.615 9.792 10.115 1.00 0.00 N ATOM 535 CA VAL A 36 0.086 9.756 11.398 1.00 0.00 C ATOM 536 C VAL A 36 -0.224 11.006 12.214 1.00 0.00 C ATOM 537 O VAL A 36 -0.609 10.921 13.379 1.00 0.00 O ATOM 538 CB VAL A 36 1.619 9.609 11.249 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.230 10.802 10.538 1.00 0.00 C ATOM 540 CG2 VAL A 36 2.260 9.415 12.615 1.00 0.00 C ATOM 0 H VAL A 36 -0.018 9.729 9.290 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.279 8.869 11.917 1.00 0.00 H new ATOM 0 HB VAL A 36 1.814 8.729 10.636 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.308 10.662 10.452 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.796 10.894 9.542 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.026 11.709 11.108 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.339 9.313 12.499 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.043 10.278 13.245 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.858 8.515 13.081 1.00 0.00 H new ATOM 550 N ALA A 37 -0.056 12.166 11.591 1.00 0.00 N ATOM 551 CA ALA A 37 -0.320 13.436 12.251 1.00 0.00 C ATOM 552 C ALA A 37 -1.818 13.660 12.428 1.00 0.00 C ATOM 553 O ALA A 37 -2.244 14.415 13.302 1.00 0.00 O ATOM 554 CB ALA A 37 0.291 14.573 11.450 1.00 0.00 C ATOM 0 H ALA A 37 0.263 12.252 10.626 1.00 0.00 H new ATOM 0 HA ALA A 37 0.136 13.410 13.241 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.089 15.520 11.950 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.368 14.426 11.373 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.145 14.590 10.451 1.00 0.00 H new ATOM 560 N ILE A 38 -2.617 13.010 11.584 1.00 0.00 N ATOM 561 CA ILE A 38 -4.070 13.162 11.652 1.00 0.00 C ATOM 562 C ILE A 38 -4.696 12.129 12.595 1.00 0.00 C ATOM 563 O ILE A 38 -5.285 12.489 13.614 1.00 0.00 O ATOM 564 CB ILE A 38 -4.722 13.071 10.248 1.00 0.00 C ATOM 565 CG1 ILE A 38 -4.574 14.406 9.509 1.00 0.00 C ATOM 566 CG2 ILE A 38 -6.196 12.695 10.348 1.00 0.00 C ATOM 567 CD1 ILE A 38 -3.143 14.770 9.171 1.00 0.00 C ATOM 0 H ILE A 38 -2.288 12.380 10.853 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.266 14.157 12.052 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.207 12.290 9.689 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.155 14.365 8.587 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.004 15.198 10.122 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.626 12.639 9.348 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.292 11.727 10.839 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.726 13.450 10.929 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.124 15.727 8.650 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.560 14.845 10.089 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.713 14.000 8.531 1.00 0.00 H new ATOM 579 N ASN A 39 -4.562 10.854 12.256 1.00 0.00 N ATOM 580 CA ASN A 39 -5.111 9.781 13.079 1.00 0.00 C ATOM 581 C ASN A 39 -4.015 8.797 13.495 1.00 0.00 C ATOM 582 O ASN A 39 -3.853 7.741 12.883 1.00 0.00 O ATOM 583 CB ASN A 39 -6.219 9.044 12.323 1.00 0.00 C ATOM 584 CG ASN A 39 -7.386 8.677 13.219 1.00 0.00 C ATOM 585 OD1 ASN A 39 -8.548 8.850 12.848 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.085 8.165 14.409 1.00 0.00 N ATOM 0 H ASN A 39 -4.078 10.536 11.417 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.533 10.227 13.980 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.575 9.670 11.505 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.809 8.138 11.876 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.830 7.899 15.053 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.109 8.038 14.678 1.00 0.00 H new ATOM 593 N PRO A 40 -3.244 9.136 14.545 1.00 0.00 N ATOM 594 CA PRO A 40 -2.155 8.282 15.038 1.00 0.00 C ATOM 595 C PRO A 40 -2.609 6.853 15.327 1.00 0.00 C ATOM 596 O PRO A 40 -1.865 5.900 15.100 1.00 0.00 O ATOM 597 CB PRO A 40 -1.720 8.973 16.333 1.00 0.00 C ATOM 598 CG PRO A 40 -2.110 10.399 16.150 1.00 0.00 C ATOM 599 CD PRO A 40 -3.369 10.380 15.330 1.00 0.00 C ATOM 0 HA PRO A 40 -1.359 8.180 14.300 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.214 8.536 17.201 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.647 8.874 16.494 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.277 10.885 17.111 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.323 10.957 15.644 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.259 10.371 15.959 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.443 11.256 14.686 1.00 0.00 H new ATOM 607 N ALA A 41 -3.832 6.711 15.823 1.00 0.00 N ATOM 608 CA ALA A 41 -4.374 5.393 16.137 1.00 0.00 C ATOM 609 C ALA A 41 -5.169 4.834 14.961 1.00 0.00 C ATOM 610 O ALA A 41 -6.293 4.358 15.125 1.00 0.00 O ATOM 611 CB ALA A 41 -5.237 5.459 17.389 1.00 0.00 C ATOM 0 H ALA A 41 -4.465 7.487 16.016 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.540 4.718 16.327 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.634 4.468 17.610 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.634 5.804 18.229 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.062 6.152 17.226 1.00 0.00 H new ATOM 617 N ALA A 42 -4.570 4.893 13.774 1.00 0.00 N ATOM 618 CA ALA A 42 -5.205 4.392 12.564 1.00 0.00 C ATOM 619 C ALA A 42 -4.171 4.113 11.483 1.00 0.00 C ATOM 620 O ALA A 42 -4.223 3.079 10.817 1.00 0.00 O ATOM 621 CB ALA A 42 -6.241 5.376 12.050 1.00 0.00 C ATOM 0 H ALA A 42 -3.640 5.286 13.627 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.706 3.457 12.815 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.702 4.980 11.145 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.007 5.528 12.810 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.759 6.327 11.825 1.00 0.00 H new ATOM 627 N ALA A 43 -3.234 5.047 11.311 1.00 0.00 N ATOM 628 CA ALA A 43 -2.179 4.916 10.308 1.00 0.00 C ATOM 629 C ALA A 43 -1.706 3.471 10.191 1.00 0.00 C ATOM 630 O ALA A 43 -1.632 2.919 9.094 1.00 0.00 O ATOM 631 CB ALA A 43 -1.012 5.830 10.648 1.00 0.00 C ATOM 0 H ALA A 43 -3.186 5.907 11.858 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.591 5.213 9.344 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.233 5.722 9.893 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.355 6.864 10.671 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.610 5.559 11.624 1.00 0.00 H new ATOM 637 N ALA A 44 -1.391 2.861 11.329 1.00 0.00 N ATOM 638 CA ALA A 44 -0.934 1.479 11.349 1.00 0.00 C ATOM 639 C ALA A 44 -1.906 0.571 10.605 1.00 0.00 C ATOM 640 O ALA A 44 -1.497 -0.286 9.822 1.00 0.00 O ATOM 641 CB ALA A 44 -0.753 1.003 12.781 1.00 0.00 C ATOM 0 H ALA A 44 -1.444 3.302 12.247 1.00 0.00 H new ATOM 0 HA ALA A 44 0.029 1.432 10.840 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.411 -0.032 12.780 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.014 1.629 13.282 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.704 1.070 13.310 1.00 0.00 H new ATOM 647 N LYS A 45 -3.195 0.770 10.852 1.00 0.00 N ATOM 648 CA LYS A 45 -4.228 -0.023 10.200 1.00 0.00 C ATOM 649 C LYS A 45 -4.313 0.326 8.720 1.00 0.00 C ATOM 650 O LYS A 45 -4.363 -0.555 7.863 1.00 0.00 O ATOM 651 CB LYS A 45 -5.586 0.217 10.863 1.00 0.00 C ATOM 652 CG LYS A 45 -6.074 -0.949 11.703 1.00 0.00 C ATOM 653 CD LYS A 45 -6.208 -2.223 10.882 1.00 0.00 C ATOM 654 CE LYS A 45 -6.032 -3.454 11.755 1.00 0.00 C ATOM 655 NZ LYS A 45 -5.366 -4.570 11.028 1.00 0.00 N ATOM 0 H LYS A 45 -3.549 1.474 11.499 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.963 -1.075 10.303 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.520 1.104 11.493 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.324 0.430 10.090 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.380 -1.119 12.526 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.038 -0.699 12.145 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.186 -2.250 10.402 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.463 -2.227 10.086 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.443 -3.193 12.634 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.007 -3.786 12.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.404 -5.433 11.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.855 -4.737 10.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.374 -4.320 10.843 1.00 0.00 H new ATOM 669 N VAL A 46 -4.327 1.620 8.433 1.00 0.00 N ATOM 670 CA VAL A 46 -4.410 2.103 7.062 1.00 0.00 C ATOM 671 C VAL A 46 -3.203 1.650 6.242 1.00 0.00 C ATOM 672 O VAL A 46 -3.355 1.028 5.197 1.00 0.00 O ATOM 673 CB VAL A 46 -4.503 3.644 7.034 1.00 0.00 C ATOM 674 CG1 VAL A 46 -4.275 4.187 5.632 1.00 0.00 C ATOM 675 CG2 VAL A 46 -5.848 4.101 7.570 1.00 0.00 C ATOM 0 H VAL A 46 -4.282 2.358 9.136 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.311 1.679 6.619 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.716 4.040 7.676 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.347 5.275 5.647 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.284 3.894 5.285 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.030 3.782 4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.899 5.189 7.544 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.645 3.686 6.954 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.966 3.756 8.597 1.00 0.00 H new ATOM 685 N THR A 47 -2.012 1.971 6.724 1.00 0.00 N ATOM 686 CA THR A 47 -0.776 1.608 6.038 1.00 0.00 C ATOM 687 C THR A 47 -0.715 0.111 5.732 1.00 0.00 C ATOM 688 O THR A 47 -0.473 -0.292 4.594 1.00 0.00 O ATOM 689 CB THR A 47 0.427 2.008 6.893 1.00 0.00 C ATOM 690 OG1 THR A 47 0.314 3.352 7.319 1.00 0.00 O ATOM 691 CG2 THR A 47 1.753 1.860 6.175 1.00 0.00 C ATOM 0 H THR A 47 -1.872 2.486 7.593 1.00 0.00 H new ATOM 0 HA THR A 47 -0.753 2.144 5.089 1.00 0.00 H new ATOM 0 HB THR A 47 0.417 1.323 7.741 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.169 3.386 8.171 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.562 2.161 6.840 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.893 0.820 5.880 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.759 2.492 5.287 1.00 0.00 H new ATOM 699 N GLY A 48 -0.908 -0.703 6.763 1.00 0.00 N ATOM 700 CA GLY A 48 -0.841 -2.144 6.600 1.00 0.00 C ATOM 701 C GLY A 48 -2.003 -2.706 5.819 1.00 0.00 C ATOM 702 O GLY A 48 -1.810 -3.388 4.813 1.00 0.00 O ATOM 0 H GLY A 48 -1.110 -0.390 7.712 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.089 -2.404 6.094 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.811 -2.614 7.583 1.00 0.00 H new ATOM 706 N MET A 49 -3.215 -2.427 6.275 1.00 0.00 N ATOM 707 CA MET A 49 -4.399 -2.924 5.596 1.00 0.00 C ATOM 708 C MET A 49 -4.574 -2.248 4.246 1.00 0.00 C ATOM 709 O MET A 49 -4.823 -2.922 3.252 1.00 0.00 O ATOM 710 CB MET A 49 -5.659 -2.710 6.441 1.00 0.00 C ATOM 711 CG MET A 49 -5.723 -3.574 7.691 1.00 0.00 C ATOM 712 SD MET A 49 -5.441 -5.323 7.352 1.00 0.00 S ATOM 713 CE MET A 49 -3.964 -5.613 8.323 1.00 0.00 C ATOM 0 H MET A 49 -3.402 -1.864 7.105 1.00 0.00 H new ATOM 0 HA MET A 49 -4.258 -3.994 5.445 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.713 -1.662 6.734 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.535 -2.915 5.826 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.980 -3.224 8.407 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.699 -3.453 8.160 1.00 0.00 H new ATOM 0 HE1 MET A 49 -3.229 -6.143 7.718 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.548 -4.659 8.646 1.00 0.00 H new ATOM 0 HE3 MET A 49 -4.215 -6.214 9.197 1.00 0.00 H new ATOM 723 N LEU A 50 -4.483 -0.910 4.240 1.00 0.00 N ATOM 724 CA LEU A 50 -4.671 -0.089 3.029 1.00 0.00 C ATOM 725 C LEU A 50 -5.403 -0.837 1.919 1.00 0.00 C ATOM 726 O LEU A 50 -6.537 -0.502 1.579 1.00 0.00 O ATOM 727 CB LEU A 50 -3.327 0.407 2.492 1.00 0.00 C ATOM 728 CG LEU A 50 -3.419 1.240 1.208 1.00 0.00 C ATOM 729 CD1 LEU A 50 -3.918 2.649 1.511 1.00 0.00 C ATOM 730 CD2 LEU A 50 -2.073 1.282 0.495 1.00 0.00 C ATOM 0 H LEU A 50 -4.277 -0.363 5.076 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.287 0.758 3.331 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.841 1.005 3.263 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.685 -0.454 2.305 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.139 0.763 0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.975 3.222 0.585 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.907 2.595 1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.229 3.139 2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.161 1.878 -0.413 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.327 1.729 1.152 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.767 0.269 0.236 1.00 0.00 H new ATOM 742 N LEU A 51 -4.754 -1.853 1.364 1.00 0.00 N ATOM 743 CA LEU A 51 -5.343 -2.643 0.299 1.00 0.00 C ATOM 744 C LEU A 51 -6.457 -3.536 0.829 1.00 0.00 C ATOM 745 O LEU A 51 -6.360 -4.763 0.793 1.00 0.00 O ATOM 746 CB LEU A 51 -4.257 -3.474 -0.387 1.00 0.00 C ATOM 747 CG LEU A 51 -2.991 -2.690 -0.744 1.00 0.00 C ATOM 748 CD1 LEU A 51 -1.749 -3.545 -0.533 1.00 0.00 C ATOM 749 CD2 LEU A 51 -3.065 -2.187 -2.181 1.00 0.00 C ATOM 0 H LEU A 51 -3.816 -2.147 1.638 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.787 -1.968 -0.432 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.984 -4.303 0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.670 -3.908 -1.298 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.922 -1.827 -0.081 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.862 -2.968 -0.793 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.690 -3.850 0.512 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.805 -4.430 -1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.158 -1.632 -2.419 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.160 -3.035 -2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.930 -1.534 -2.294 1.00 0.00 H new ATOM 761 N GLU A 52 -7.523 -2.905 1.315 1.00 0.00 N ATOM 762 CA GLU A 52 -8.667 -3.632 1.848 1.00 0.00 C ATOM 763 C GLU A 52 -9.636 -3.977 0.722 1.00 0.00 C ATOM 764 O GLU A 52 -9.411 -3.611 -0.432 1.00 0.00 O ATOM 765 CB GLU A 52 -9.383 -2.800 2.916 1.00 0.00 C ATOM 766 CG GLU A 52 -8.447 -2.003 3.814 1.00 0.00 C ATOM 767 CD GLU A 52 -9.193 -1.091 4.766 1.00 0.00 C ATOM 768 OE1 GLU A 52 -10.339 -1.426 5.131 1.00 0.00 O ATOM 769 OE2 GLU A 52 -8.635 -0.040 5.144 1.00 0.00 O ATOM 0 H GLU A 52 -7.616 -1.890 1.350 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.309 -4.553 2.307 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.071 -2.112 2.425 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.985 -3.464 3.536 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.825 -2.691 4.387 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.776 -1.407 3.196 1.00 0.00 H new ATOM 776 N MET A 53 -10.706 -4.688 1.052 1.00 0.00 N ATOM 777 CA MET A 53 -11.686 -5.082 0.047 1.00 0.00 C ATOM 778 C MET A 53 -12.357 -3.859 -0.580 1.00 0.00 C ATOM 779 O MET A 53 -12.243 -3.624 -1.783 1.00 0.00 O ATOM 780 CB MET A 53 -12.743 -5.993 0.678 1.00 0.00 C ATOM 781 CG MET A 53 -12.515 -7.476 0.429 1.00 0.00 C ATOM 782 SD MET A 53 -12.268 -7.886 -1.316 1.00 0.00 S ATOM 783 CE MET A 53 -13.464 -6.822 -2.125 1.00 0.00 C ATOM 0 H MET A 53 -10.917 -5.002 1.999 1.00 0.00 H new ATOM 0 HA MET A 53 -11.165 -5.624 -0.742 1.00 0.00 H new ATOM 0 HB2 MET A 53 -12.765 -5.815 1.753 1.00 0.00 H new ATOM 0 HB3 MET A 53 -13.723 -5.717 0.290 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.644 -7.802 0.997 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.370 -8.036 0.808 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.810 -7.296 -3.044 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.312 -6.657 -1.461 1.00 0.00 H new ATOM 0 HE3 MET A 53 -12.998 -5.866 -2.363 1.00 0.00 H new ATOM 793 N ASP A 54 -13.046 -3.073 0.241 1.00 0.00 N ATOM 794 CA ASP A 54 -13.724 -1.879 -0.248 1.00 0.00 C ATOM 795 C ASP A 54 -12.832 -0.659 -0.116 1.00 0.00 C ATOM 796 O ASP A 54 -12.321 -0.139 -1.110 1.00 0.00 O ATOM 797 CB ASP A 54 -15.029 -1.662 0.518 1.00 0.00 C ATOM 798 CG ASP A 54 -15.731 -0.369 0.135 1.00 0.00 C ATOM 799 OD1 ASP A 54 -15.347 0.233 -0.889 1.00 0.00 O ATOM 800 OD2 ASP A 54 -16.661 0.037 0.862 1.00 0.00 O ATOM 0 H ASP A 54 -13.149 -3.240 1.242 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.952 -2.024 -1.304 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.698 -2.502 0.331 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.820 -1.653 1.588 1.00 0.00 H new ATOM 805 N ASN A 55 -12.648 -0.205 1.119 1.00 0.00 N ATOM 806 CA ASN A 55 -11.819 0.959 1.394 1.00 0.00 C ATOM 807 C ASN A 55 -10.517 0.898 0.604 1.00 0.00 C ATOM 808 O ASN A 55 -9.958 1.929 0.225 1.00 0.00 O ATOM 809 CB ASN A 55 -11.521 1.042 2.892 1.00 0.00 C ATOM 810 CG ASN A 55 -10.749 2.289 3.277 1.00 0.00 C ATOM 811 OD1 ASN A 55 -9.997 2.283 4.251 1.00 0.00 O ATOM 812 ND2 ASN A 55 -10.931 3.367 2.518 1.00 0.00 N ATOM 0 H ASN A 55 -13.065 -0.629 1.948 1.00 0.00 H new ATOM 0 HA ASN A 55 -12.363 1.851 1.085 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.460 1.018 3.445 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.952 0.162 3.192 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.437 4.233 2.735 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -11.564 3.327 1.719 1.00 0.00 H new ATOM 819 N GLY A 56 -10.046 -0.316 0.349 1.00 0.00 N ATOM 820 CA GLY A 56 -8.826 -0.493 -0.405 1.00 0.00 C ATOM 821 C GLY A 56 -8.976 -0.059 -1.848 1.00 0.00 C ATOM 822 O GLY A 56 -8.234 0.802 -2.318 1.00 0.00 O ATOM 0 H GLY A 56 -10.491 -1.182 0.653 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.025 0.080 0.063 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.530 -1.541 -0.372 1.00 0.00 H new ATOM 826 N GLU A 57 -9.928 -0.662 -2.564 1.00 0.00 N ATOM 827 CA GLU A 57 -10.152 -0.331 -3.974 1.00 0.00 C ATOM 828 C GLU A 57 -9.875 1.145 -4.265 1.00 0.00 C ATOM 829 O GLU A 57 -9.073 1.472 -5.139 1.00 0.00 O ATOM 830 CB GLU A 57 -11.581 -0.667 -4.381 1.00 0.00 C ATOM 831 CG GLU A 57 -11.934 -2.132 -4.196 1.00 0.00 C ATOM 832 CD GLU A 57 -11.815 -2.930 -5.482 1.00 0.00 C ATOM 833 OE1 GLU A 57 -12.159 -2.389 -6.552 1.00 0.00 O ATOM 834 OE2 GLU A 57 -11.378 -4.099 -5.416 1.00 0.00 O ATOM 0 H GLU A 57 -10.553 -1.378 -2.194 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.453 -0.931 -4.558 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.270 -0.059 -3.795 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.726 -0.396 -5.427 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.279 -2.567 -3.441 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.953 -2.211 -3.817 1.00 0.00 H new ATOM 841 N ILE A 58 -10.536 2.025 -3.523 1.00 0.00 N ATOM 842 CA ILE A 58 -10.358 3.465 -3.695 1.00 0.00 C ATOM 843 C ILE A 58 -8.880 3.840 -3.600 1.00 0.00 C ATOM 844 O ILE A 58 -8.374 4.615 -4.412 1.00 0.00 O ATOM 845 CB ILE A 58 -11.165 4.250 -2.637 1.00 0.00 C ATOM 846 CG1 ILE A 58 -12.660 3.975 -2.814 1.00 0.00 C ATOM 847 CG2 ILE A 58 -10.886 5.748 -2.722 1.00 0.00 C ATOM 848 CD1 ILE A 58 -13.416 3.898 -1.505 1.00 0.00 C ATOM 0 H ILE A 58 -11.202 1.768 -2.794 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.728 3.731 -4.685 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.852 3.911 -1.650 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -13.096 4.761 -3.431 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.788 3.037 -3.355 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -11.470 6.270 -1.964 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.825 5.931 -2.553 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -11.164 6.114 -3.710 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.469 3.701 -1.704 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -13.006 3.094 -0.895 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -13.318 4.844 -0.972 1.00 0.00 H new ATOM 860 N LEU A 59 -8.201 3.286 -2.599 1.00 0.00 N ATOM 861 CA LEU A 59 -6.783 3.551 -2.374 1.00 0.00 C ATOM 862 C LEU A 59 -6.012 3.668 -3.685 1.00 0.00 C ATOM 863 O LEU A 59 -5.058 4.440 -3.789 1.00 0.00 O ATOM 864 CB LEU A 59 -6.182 2.446 -1.509 1.00 0.00 C ATOM 865 CG LEU A 59 -5.656 1.226 -2.270 1.00 0.00 C ATOM 866 CD1 LEU A 59 -4.215 1.442 -2.713 1.00 0.00 C ATOM 867 CD2 LEU A 59 -5.760 -0.012 -1.399 1.00 0.00 C ATOM 0 H LEU A 59 -8.616 2.644 -1.924 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.700 4.508 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.364 2.869 -0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.939 2.111 -0.800 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.267 1.086 -3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.864 0.562 -3.251 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.162 2.312 -3.367 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.586 1.607 -1.838 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.384 -0.876 -1.948 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.169 0.129 -0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.802 -0.180 -1.128 1.00 0.00 H new ATOM 879 N ASN A 60 -6.429 2.894 -4.679 1.00 0.00 N ATOM 880 CA ASN A 60 -5.776 2.904 -5.984 1.00 0.00 C ATOM 881 C ASN A 60 -5.518 4.331 -6.478 1.00 0.00 C ATOM 882 O ASN A 60 -4.629 4.557 -7.298 1.00 0.00 O ATOM 883 CB ASN A 60 -6.620 2.144 -7.006 1.00 0.00 C ATOM 884 CG ASN A 60 -5.771 1.295 -7.932 1.00 0.00 C ATOM 885 OD1 ASN A 60 -4.979 1.818 -8.719 1.00 0.00 O ATOM 886 ND2 ASN A 60 -5.927 -0.018 -7.842 1.00 0.00 N ATOM 0 H ASN A 60 -7.217 2.250 -4.607 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.812 2.409 -5.871 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.333 1.507 -6.484 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.199 2.854 -7.596 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.380 -0.639 -8.438 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.594 -0.408 -7.176 1.00 0.00 H new ATOM 893 N LEU A 61 -6.306 5.285 -5.988 1.00 0.00 N ATOM 894 CA LEU A 61 -6.156 6.679 -6.395 1.00 0.00 C ATOM 895 C LEU A 61 -5.686 7.563 -5.237 1.00 0.00 C ATOM 896 O LEU A 61 -6.340 8.551 -4.903 1.00 0.00 O ATOM 897 CB LEU A 61 -7.481 7.208 -6.942 1.00 0.00 C ATOM 898 CG LEU A 61 -8.050 6.429 -8.130 1.00 0.00 C ATOM 899 CD1 LEU A 61 -9.554 6.248 -7.983 1.00 0.00 C ATOM 900 CD2 LEU A 61 -7.719 7.138 -9.433 1.00 0.00 C ATOM 0 H LEU A 61 -7.051 5.119 -5.312 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.394 6.715 -7.174 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.217 7.202 -6.138 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.344 8.247 -7.241 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.590 5.441 -8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.939 5.692 -8.838 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.766 5.697 -7.067 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.035 7.225 -7.939 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.130 6.573 -10.269 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.152 8.138 -9.423 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.637 7.212 -9.542 1.00 0.00 H new ATOM 912 N LEU A 62 -4.554 7.195 -4.629 1.00 0.00 N ATOM 913 CA LEU A 62 -3.982 7.943 -3.500 1.00 0.00 C ATOM 914 C LEU A 62 -4.339 9.430 -3.555 1.00 0.00 C ATOM 915 O LEU A 62 -3.654 10.224 -4.200 1.00 0.00 O ATOM 916 CB LEU A 62 -2.463 7.778 -3.492 1.00 0.00 C ATOM 917 CG LEU A 62 -1.968 6.395 -3.087 1.00 0.00 C ATOM 918 CD1 LEU A 62 -0.739 6.004 -3.895 1.00 0.00 C ATOM 919 CD2 LEU A 62 -1.665 6.352 -1.601 1.00 0.00 C ATOM 0 H LEU A 62 -4.010 6.376 -4.901 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.409 7.536 -2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.082 8.007 -4.488 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.036 8.514 -2.811 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.758 5.674 -3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.403 5.013 -3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.990 5.991 -4.956 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.057 6.728 -3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.313 5.357 -1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.895 7.086 -1.365 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.570 6.582 -1.038 1.00 0.00 H new ATOM 931 N ASP A 63 -5.429 9.788 -2.879 1.00 0.00 N ATOM 932 CA ASP A 63 -5.902 11.170 -2.852 1.00 0.00 C ATOM 933 C ASP A 63 -5.831 11.760 -1.447 1.00 0.00 C ATOM 934 O ASP A 63 -5.736 11.038 -0.464 1.00 0.00 O ATOM 935 CB ASP A 63 -7.341 11.237 -3.373 1.00 0.00 C ATOM 936 CG ASP A 63 -7.479 12.130 -4.591 1.00 0.00 C ATOM 937 OD1 ASP A 63 -7.486 13.367 -4.421 1.00 0.00 O ATOM 938 OD2 ASP A 63 -7.580 11.592 -5.712 1.00 0.00 O ATOM 0 H ASP A 63 -6.002 9.138 -2.341 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.250 11.760 -3.496 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.680 10.232 -3.624 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.993 11.605 -2.581 1.00 0.00 H new ATOM 943 N THR A 64 -5.891 13.082 -1.359 1.00 0.00 N ATOM 944 CA THR A 64 -5.847 13.750 -0.066 1.00 0.00 C ATOM 945 C THR A 64 -7.175 13.591 0.667 1.00 0.00 C ATOM 946 O THR A 64 -7.202 13.232 1.837 1.00 0.00 O ATOM 947 CB THR A 64 -5.510 15.232 -0.226 1.00 0.00 C ATOM 948 OG1 THR A 64 -5.146 15.525 -1.570 1.00 0.00 O ATOM 949 CG2 THR A 64 -4.382 15.680 0.682 1.00 0.00 C ATOM 0 H THR A 64 -5.970 13.708 -2.160 1.00 0.00 H new ATOM 0 HA THR A 64 -5.061 13.280 0.525 1.00 0.00 H new ATOM 0 HB THR A 64 -6.413 15.775 0.053 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.936 16.479 -1.651 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.187 16.741 0.524 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.664 15.514 1.722 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.482 15.108 0.454 1.00 0.00 H new ATOM 957 N PRO A 65 -8.306 13.859 -0.012 1.00 0.00 N ATOM 958 CA PRO A 65 -9.625 13.736 0.600 1.00 0.00 C ATOM 959 C PRO A 65 -10.084 12.283 0.717 1.00 0.00 C ATOM 960 O PRO A 65 -10.188 11.742 1.816 1.00 0.00 O ATOM 961 CB PRO A 65 -10.539 14.520 -0.341 1.00 0.00 C ATOM 962 CG PRO A 65 -9.847 14.543 -1.665 1.00 0.00 C ATOM 963 CD PRO A 65 -8.380 14.298 -1.417 1.00 0.00 C ATOM 0 HA PRO A 65 -9.631 14.113 1.623 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.517 14.045 -0.420 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.705 15.531 0.030 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -10.257 13.778 -2.325 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.997 15.503 -2.159 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.986 13.537 -2.091 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.794 15.203 -1.581 1.00 0.00 H new ATOM 971 N GLY A 66 -10.368 11.663 -0.424 1.00 0.00 N ATOM 972 CA GLY A 66 -10.827 10.285 -0.438 1.00 0.00 C ATOM 973 C GLY A 66 -10.011 9.373 0.457 1.00 0.00 C ATOM 974 O GLY A 66 -10.553 8.719 1.348 1.00 0.00 O ATOM 0 H GLY A 66 -10.288 12.093 -1.345 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.870 10.253 -0.123 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.791 9.907 -1.460 1.00 0.00 H new ATOM 978 N LEU A 67 -8.707 9.324 0.213 1.00 0.00 N ATOM 979 CA LEU A 67 -7.811 8.483 0.992 1.00 0.00 C ATOM 980 C LEU A 67 -7.887 8.813 2.480 1.00 0.00 C ATOM 981 O LEU A 67 -8.393 8.027 3.276 1.00 0.00 O ATOM 982 CB LEU A 67 -6.380 8.673 0.487 1.00 0.00 C ATOM 983 CG LEU A 67 -5.700 7.429 -0.078 1.00 0.00 C ATOM 984 CD1 LEU A 67 -5.231 6.516 1.041 1.00 0.00 C ATOM 985 CD2 LEU A 67 -6.638 6.693 -1.022 1.00 0.00 C ATOM 0 H LEU A 67 -8.246 9.860 -0.522 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.116 7.444 0.868 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.387 9.442 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.773 9.053 1.309 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.823 7.743 -0.644 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.749 5.636 0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.520 7.049 1.672 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.087 6.207 1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.137 5.809 -1.416 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.535 6.392 -0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.915 7.351 -1.846 1.00 0.00 H new ATOM 997 N LEU A 68 -7.370 9.979 2.853 1.00 0.00 N ATOM 998 CA LEU A 68 -7.365 10.401 4.256 1.00 0.00 C ATOM 999 C LEU A 68 -8.743 10.268 4.899 1.00 0.00 C ATOM 1000 O LEU A 68 -8.848 10.134 6.117 1.00 0.00 O ATOM 1001 CB LEU A 68 -6.877 11.843 4.387 1.00 0.00 C ATOM 1002 CG LEU A 68 -5.358 12.018 4.405 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -4.764 11.695 3.042 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -4.994 13.433 4.824 1.00 0.00 C ATOM 0 H LEU A 68 -6.950 10.649 2.209 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.680 9.737 4.782 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.284 12.424 3.559 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.286 12.266 5.304 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.940 11.322 5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.682 11.826 3.076 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.997 10.663 2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.187 12.364 2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.910 13.542 4.832 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.425 14.144 4.119 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.386 13.629 5.822 1.00 0.00 H new ATOM 1016 N ASP A 69 -9.795 10.307 4.089 1.00 0.00 N ATOM 1017 CA ASP A 69 -11.148 10.189 4.619 1.00 0.00 C ATOM 1018 C ASP A 69 -11.539 8.727 4.786 1.00 0.00 C ATOM 1019 O ASP A 69 -11.822 8.275 5.894 1.00 0.00 O ATOM 1020 CB ASP A 69 -12.150 10.899 3.707 1.00 0.00 C ATOM 1021 CG ASP A 69 -13.450 11.218 4.416 1.00 0.00 C ATOM 1022 OD1 ASP A 69 -13.780 10.515 5.396 1.00 0.00 O ATOM 1023 OD2 ASP A 69 -14.139 12.169 3.995 1.00 0.00 O ATOM 0 H ASP A 69 -9.739 10.418 3.077 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.167 10.667 5.598 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.707 11.822 3.334 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.356 10.271 2.840 1.00 0.00 H new ATOM 1028 N ALA A 70 -11.542 7.984 3.690 1.00 0.00 N ATOM 1029 CA ALA A 70 -11.890 6.570 3.737 1.00 0.00 C ATOM 1030 C ALA A 70 -10.845 5.768 4.512 1.00 0.00 C ATOM 1031 O ALA A 70 -11.076 4.611 4.865 1.00 0.00 O ATOM 1032 CB ALA A 70 -12.046 6.022 2.327 1.00 0.00 C ATOM 0 H ALA A 70 -11.309 8.333 2.761 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.840 6.471 4.261 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.306 4.965 2.374 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.836 6.567 1.810 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -11.108 6.141 1.785 1.00 0.00 H new ATOM 1038 N LYS A 71 -9.693 6.385 4.772 1.00 0.00 N ATOM 1039 CA LYS A 71 -8.616 5.723 5.498 1.00 0.00 C ATOM 1040 C LYS A 71 -8.808 5.842 7.008 1.00 0.00 C ATOM 1041 O LYS A 71 -8.845 4.837 7.714 1.00 0.00 O ATOM 1042 CB LYS A 71 -7.273 6.340 5.113 1.00 0.00 C ATOM 1043 CG LYS A 71 -6.761 5.914 3.742 1.00 0.00 C ATOM 1044 CD LYS A 71 -6.738 4.401 3.589 1.00 0.00 C ATOM 1045 CE LYS A 71 -7.998 3.878 2.910 1.00 0.00 C ATOM 1046 NZ LYS A 71 -8.414 4.714 1.748 1.00 0.00 N ATOM 0 H LYS A 71 -9.484 7.343 4.490 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.633 4.667 5.228 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.366 7.426 5.133 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.532 6.069 5.865 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.394 6.347 2.968 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.756 6.309 3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.864 4.108 3.007 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.636 3.939 4.571 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -7.827 2.855 2.574 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.810 3.843 3.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.041 4.161 1.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -8.920 5.556 2.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.572 5.009 1.213 1.00 0.00 H new ATOM 1060 N VAL A 72 -8.932 7.073 7.494 1.00 0.00 N ATOM 1061 CA VAL A 72 -9.122 7.311 8.921 1.00 0.00 C ATOM 1062 C VAL A 72 -10.410 6.669 9.408 1.00 0.00 C ATOM 1063 O VAL A 72 -10.441 6.032 10.459 1.00 0.00 O ATOM 1064 CB VAL A 72 -9.154 8.816 9.255 1.00 0.00 C ATOM 1065 CG1 VAL A 72 -7.777 9.436 9.079 1.00 0.00 C ATOM 1066 CG2 VAL A 72 -10.185 9.538 8.399 1.00 0.00 C ATOM 0 H VAL A 72 -8.905 7.918 6.924 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.270 6.860 9.430 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.445 8.926 10.300 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.823 10.498 9.320 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.068 8.943 9.745 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.451 9.312 8.046 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.190 10.598 8.652 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.932 9.417 7.346 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -11.173 9.116 8.585 1.00 0.00 H new ATOM 1076 N GLN A 73 -11.473 6.846 8.637 1.00 0.00 N ATOM 1077 CA GLN A 73 -12.772 6.292 8.984 1.00 0.00 C ATOM 1078 C GLN A 73 -12.727 4.768 9.023 1.00 0.00 C ATOM 1079 O GLN A 73 -13.101 4.154 10.019 1.00 0.00 O ATOM 1080 CB GLN A 73 -13.819 6.768 7.979 1.00 0.00 C ATOM 1081 CG GLN A 73 -13.825 8.276 7.784 1.00 0.00 C ATOM 1082 CD GLN A 73 -14.333 9.024 9.002 1.00 0.00 C ATOM 1083 OE1 GLN A 73 -13.703 9.974 9.469 1.00 0.00 O ATOM 1084 NE2 GLN A 73 -15.478 8.599 9.523 1.00 0.00 N ATOM 0 H GLN A 73 -11.460 7.372 7.763 1.00 0.00 H new ATOM 0 HA GLN A 73 -13.043 6.643 9.980 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.636 6.285 7.019 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -14.806 6.448 8.314 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.814 8.612 7.552 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.448 8.524 6.925 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -15.967 7.808 9.104 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.869 9.064 10.343 1.00 0.00 H new ATOM 1093 N GLU A 74 -12.273 4.160 7.931 1.00 0.00 N ATOM 1094 CA GLU A 74 -12.188 2.708 7.846 1.00 0.00 C ATOM 1095 C GLU A 74 -11.298 2.130 8.945 1.00 0.00 C ATOM 1096 O GLU A 74 -11.638 1.124 9.566 1.00 0.00 O ATOM 1097 CB GLU A 74 -11.664 2.281 6.479 1.00 0.00 C ATOM 1098 CG GLU A 74 -11.557 0.772 6.313 1.00 0.00 C ATOM 1099 CD GLU A 74 -12.746 0.026 6.889 1.00 0.00 C ATOM 1100 OE1 GLU A 74 -13.818 0.033 6.250 1.00 0.00 O ATOM 1101 OE2 GLU A 74 -12.601 -0.566 7.979 1.00 0.00 O ATOM 0 H GLU A 74 -11.959 4.651 7.094 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.195 2.315 7.984 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.323 2.678 5.706 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.682 2.726 6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.465 0.534 5.253 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.646 0.422 6.799 1.00 0.00 H new ATOM 1108 N ALA A 75 -10.155 2.769 9.177 1.00 0.00 N ATOM 1109 CA ALA A 75 -9.225 2.306 10.200 1.00 0.00 C ATOM 1110 C ALA A 75 -9.803 2.493 11.596 1.00 0.00 C ATOM 1111 O ALA A 75 -9.708 1.606 12.441 1.00 0.00 O ATOM 1112 CB ALA A 75 -7.892 3.026 10.079 1.00 0.00 C ATOM 0 H ALA A 75 -9.853 3.603 8.674 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.061 1.240 10.042 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.213 2.666 10.851 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.461 2.831 9.097 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.045 4.098 10.202 1.00 0.00 H new ATOM 1118 N LEU A 76 -10.403 3.654 11.839 1.00 0.00 N ATOM 1119 CA LEU A 76 -10.992 3.942 13.139 1.00 0.00 C ATOM 1120 C LEU A 76 -12.271 3.131 13.341 1.00 0.00 C ATOM 1121 O LEU A 76 -12.615 2.765 14.465 1.00 0.00 O ATOM 1122 CB LEU A 76 -11.290 5.439 13.276 1.00 0.00 C ATOM 1123 CG LEU A 76 -10.165 6.283 13.885 1.00 0.00 C ATOM 1124 CD1 LEU A 76 -10.677 7.671 14.242 1.00 0.00 C ATOM 1125 CD2 LEU A 76 -9.581 5.598 15.116 1.00 0.00 C ATOM 0 H LEU A 76 -10.493 4.406 11.156 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.274 3.658 13.908 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.525 5.837 12.289 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.183 5.559 13.889 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.373 6.384 13.143 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.866 8.258 14.673 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.045 8.166 13.343 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -11.487 7.585 14.966 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.784 6.215 15.532 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -10.363 5.464 15.863 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.177 4.625 14.834 1.00 0.00 H new ATOM 1137 N GLU A 77 -12.968 2.852 12.243 1.00 0.00 N ATOM 1138 CA GLU A 77 -14.208 2.083 12.293 1.00 0.00 C ATOM 1139 C GLU A 77 -13.929 0.608 12.574 1.00 0.00 C ATOM 1140 O GLU A 77 -14.608 -0.014 13.391 1.00 0.00 O ATOM 1141 CB GLU A 77 -14.975 2.234 10.976 1.00 0.00 C ATOM 1142 CG GLU A 77 -16.429 1.795 11.059 1.00 0.00 C ATOM 1143 CD GLU A 77 -17.393 2.966 11.063 1.00 0.00 C ATOM 1144 OE1 GLU A 77 -17.680 3.496 12.158 1.00 0.00 O ATOM 1145 OE2 GLU A 77 -17.860 3.355 9.972 1.00 0.00 O ATOM 0 H GLU A 77 -12.694 3.148 11.306 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.818 2.474 13.108 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.937 3.277 10.662 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.472 1.651 10.205 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.657 1.145 10.215 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.576 1.206 11.964 1.00 0.00 H new ATOM 1152 N VAL A 78 -12.929 0.051 11.897 1.00 0.00 N ATOM 1153 CA VAL A 78 -12.574 -1.353 12.087 1.00 0.00 C ATOM 1154 C VAL A 78 -11.494 -1.515 13.157 1.00 0.00 C ATOM 1155 O VAL A 78 -11.568 -2.414 13.996 1.00 0.00 O ATOM 1156 CB VAL A 78 -12.107 -2.008 10.768 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -10.676 -1.613 10.426 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -12.242 -3.519 10.851 1.00 0.00 C ATOM 0 H VAL A 78 -12.353 0.546 11.216 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.478 -1.862 12.422 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.749 -1.643 9.967 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.380 -2.091 9.492 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.614 -0.530 10.315 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.009 -1.934 11.226 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.909 -3.966 9.914 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.629 -3.895 11.670 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -13.285 -3.782 11.028 1.00 0.00 H new