USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=7 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 Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.564 F(o=-2.4!,f=-0.56) USER MOD Single : A 34 HIS : no HE2:sc= -21.8! C(o=-22!,f=-23!) USER MOD Single : A 39 ASN : amide:sc= -1.19 X(o=-1.2,f=-0.95) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 81:sc= 1.01 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -162:sc= -0.208 (180deg=-0.896) USER MOD Single : A 55 ASN : amide:sc= -9.89! C(o=-9.9!,f=-14!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0.068) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0899 USER MOD Single : A 71 LYS NZ :NH3+ -116:sc= -1.5 (180deg=-4.16!) USER MOD Single : A 73 GLN : amide:sc= -0.198 K(o=-0.2,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 362 N VAL A 26 6.997 2.662 -1.038 1.00 0.00 N ATOM 363 CA VAL A 26 6.809 4.106 -0.938 1.00 0.00 C ATOM 364 C VAL A 26 5.409 4.441 -0.431 1.00 0.00 C ATOM 365 O VAL A 26 5.242 5.314 0.422 1.00 0.00 O ATOM 366 CB VAL A 26 7.064 4.815 -2.290 1.00 0.00 C ATOM 367 CG1 VAL A 26 5.805 4.871 -3.144 1.00 0.00 C ATOM 368 CG2 VAL A 26 7.614 6.213 -2.056 1.00 0.00 C ATOM 0 HA VAL A 26 7.543 4.473 -0.220 1.00 0.00 H new ATOM 0 HB VAL A 26 7.803 4.230 -2.837 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.025 5.376 -4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.459 3.858 -3.349 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.028 5.419 -2.611 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.789 6.700 -3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.895 6.795 -1.479 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.553 6.147 -1.506 1.00 0.00 H new ATOM 378 N LEU A 27 4.410 3.742 -0.958 1.00 0.00 N ATOM 379 CA LEU A 27 3.027 3.962 -0.556 1.00 0.00 C ATOM 380 C LEU A 27 2.870 3.825 0.952 1.00 0.00 C ATOM 381 O LEU A 27 2.342 4.717 1.609 1.00 0.00 O ATOM 382 CB LEU A 27 2.103 2.960 -1.257 1.00 0.00 C ATOM 383 CG LEU A 27 1.726 3.269 -2.718 1.00 0.00 C ATOM 384 CD1 LEU A 27 2.236 4.634 -3.162 1.00 0.00 C ATOM 385 CD2 LEU A 27 2.250 2.182 -3.646 1.00 0.00 C ATOM 0 H LEU A 27 4.533 3.018 -1.665 1.00 0.00 H new ATOM 0 HA LEU A 27 2.751 4.976 -0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.580 1.980 -1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.183 2.883 -0.678 1.00 0.00 H new ATOM 0 HG LEU A 27 0.638 3.291 -2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.948 4.811 -4.198 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.803 5.408 -2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.322 4.661 -3.078 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.974 2.417 -4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.336 2.127 -3.565 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.816 1.223 -3.364 1.00 0.00 H new ATOM 397 N GLY A 28 3.316 2.692 1.489 1.00 0.00 N ATOM 398 CA GLY A 28 3.191 2.442 2.915 1.00 0.00 C ATOM 399 C GLY A 28 3.916 3.467 3.762 1.00 0.00 C ATOM 400 O GLY A 28 3.355 3.978 4.731 1.00 0.00 O ATOM 0 H GLY A 28 3.762 1.942 0.961 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.135 2.436 3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.583 1.450 3.140 1.00 0.00 H new ATOM 404 N GLU A 29 5.153 3.780 3.404 1.00 0.00 N ATOM 405 CA GLU A 29 5.924 4.765 4.153 1.00 0.00 C ATOM 406 C GLU A 29 5.251 6.129 4.063 1.00 0.00 C ATOM 407 O GLU A 29 5.002 6.781 5.076 1.00 0.00 O ATOM 408 CB GLU A 29 7.358 4.840 3.625 1.00 0.00 C ATOM 409 CG GLU A 29 8.242 3.707 4.119 1.00 0.00 C ATOM 410 CD GLU A 29 8.641 3.868 5.574 1.00 0.00 C ATOM 411 OE1 GLU A 29 7.733 3.952 6.429 1.00 0.00 O ATOM 412 OE2 GLU A 29 9.855 3.913 5.856 1.00 0.00 O ATOM 0 H GLU A 29 5.642 3.371 2.607 1.00 0.00 H new ATOM 0 HA GLU A 29 5.962 4.459 5.198 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.337 4.826 2.535 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.798 5.791 3.924 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.717 2.760 3.993 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.140 3.657 3.503 1.00 0.00 H new ATOM 419 N ARG A 30 4.948 6.546 2.840 1.00 0.00 N ATOM 420 CA ARG A 30 4.292 7.826 2.606 1.00 0.00 C ATOM 421 C ARG A 30 2.846 7.796 3.096 1.00 0.00 C ATOM 422 O ARG A 30 2.203 8.838 3.223 1.00 0.00 O ATOM 423 CB ARG A 30 4.324 8.174 1.118 1.00 0.00 C ATOM 424 CG ARG A 30 5.720 8.150 0.518 1.00 0.00 C ATOM 425 CD ARG A 30 6.294 9.552 0.386 1.00 0.00 C ATOM 426 NE ARG A 30 7.731 9.582 0.639 1.00 0.00 N ATOM 427 CZ ARG A 30 8.524 10.596 0.297 1.00 0.00 C ATOM 428 NH1 ARG A 30 8.022 11.661 -0.315 1.00 0.00 N ATOM 429 NH2 ARG A 30 9.822 10.544 0.567 1.00 0.00 N ATOM 0 H ARG A 30 5.147 6.014 1.993 1.00 0.00 H new ATOM 0 HA ARG A 30 4.833 8.589 3.166 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.692 7.471 0.575 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.893 9.165 0.976 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.376 7.545 1.144 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.688 7.675 -0.463 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.095 9.932 -0.616 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.789 10.218 1.086 1.00 0.00 H new ATOM 0 HE ARG A 30 8.153 8.779 1.105 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.025 11.706 -0.525 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.633 12.435 -0.575 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.213 9.727 1.037 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.429 11.321 0.305 1.00 0.00 H new ATOM 443 N LEU A 31 2.331 6.596 3.370 1.00 0.00 N ATOM 444 CA LEU A 31 0.964 6.444 3.842 1.00 0.00 C ATOM 445 C LEU A 31 0.858 6.816 5.314 1.00 0.00 C ATOM 446 O LEU A 31 0.141 7.739 5.692 1.00 0.00 O ATOM 447 CB LEU A 31 0.517 4.992 3.657 1.00 0.00 C ATOM 448 CG LEU A 31 -0.732 4.800 2.805 1.00 0.00 C ATOM 449 CD1 LEU A 31 -0.372 4.202 1.454 1.00 0.00 C ATOM 450 CD2 LEU A 31 -1.746 3.921 3.527 1.00 0.00 C ATOM 0 H LEU A 31 2.843 5.720 3.272 1.00 0.00 H new ATOM 0 HA LEU A 31 0.323 7.109 3.264 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.335 4.432 3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.337 4.556 4.640 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.185 5.777 2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.277 4.073 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.312 4.870 0.931 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.107 3.234 1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.630 3.796 2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.304 2.945 3.728 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.031 4.392 4.468 1.00 0.00 H new ATOM 462 N TYR A 32 1.583 6.080 6.138 1.00 0.00 N ATOM 463 CA TYR A 32 1.590 6.303 7.574 1.00 0.00 C ATOM 464 C TYR A 32 1.840 7.772 7.907 1.00 0.00 C ATOM 465 O TYR A 32 1.321 8.287 8.889 1.00 0.00 O ATOM 466 CB TYR A 32 2.665 5.414 8.205 1.00 0.00 C ATOM 467 CG TYR A 32 2.430 5.060 9.657 1.00 0.00 C ATOM 468 CD1 TYR A 32 2.721 5.965 10.668 1.00 0.00 C ATOM 469 CD2 TYR A 32 1.937 3.811 10.014 1.00 0.00 C ATOM 470 CE1 TYR A 32 2.525 5.635 11.997 1.00 0.00 C ATOM 471 CE2 TYR A 32 1.734 3.476 11.340 1.00 0.00 C ATOM 472 CZ TYR A 32 2.032 4.392 12.326 1.00 0.00 C ATOM 473 OH TYR A 32 1.836 4.059 13.647 1.00 0.00 O ATOM 0 H TYR A 32 2.182 5.313 5.832 1.00 0.00 H new ATOM 0 HA TYR A 32 0.612 6.044 7.980 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.737 4.492 7.629 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.628 5.918 8.121 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.106 6.941 10.413 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.709 3.090 9.243 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.758 6.349 12.773 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.345 2.503 11.601 1.00 0.00 H new ATOM 0 HH TYR A 32 1.483 3.147 13.705 1.00 0.00 H new ATOM 483 N ASN A 33 2.642 8.435 7.084 1.00 0.00 N ATOM 484 CA ASN A 33 2.970 9.844 7.292 1.00 0.00 C ATOM 485 C ASN A 33 1.752 10.737 7.085 1.00 0.00 C ATOM 486 O ASN A 33 1.563 11.713 7.809 1.00 0.00 O ATOM 487 CB ASN A 33 4.116 10.242 6.345 1.00 0.00 C ATOM 488 CG ASN A 33 4.058 11.688 5.880 1.00 0.00 C ATOM 489 OD1 ASN A 33 3.099 11.998 5.013 1.00 0.00 O flip ATOM 490 ND2 ASN A 33 4.870 12.515 6.294 1.00 0.00 N flip ATOM 0 H ASN A 33 3.080 8.020 6.262 1.00 0.00 H new ATOM 0 HA ASN A 33 3.292 9.982 8.324 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.067 10.071 6.850 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.096 9.589 5.472 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.590 12.234 6.959 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.823 13.482 5.972 1.00 0.00 H new ATOM 497 N HIS A 34 0.930 10.410 6.100 1.00 0.00 N ATOM 498 CA HIS A 34 -0.255 11.208 5.829 1.00 0.00 C ATOM 499 C HIS A 34 -1.212 11.164 7.010 1.00 0.00 C ATOM 500 O HIS A 34 -1.819 12.168 7.378 1.00 0.00 O ATOM 501 CB HIS A 34 -0.965 10.714 4.557 1.00 0.00 C ATOM 502 CG HIS A 34 -1.719 9.424 4.708 1.00 0.00 C ATOM 503 ND1 HIS A 34 -1.488 8.309 3.933 1.00 0.00 N ATOM 504 CD2 HIS A 34 -2.708 9.079 5.557 1.00 0.00 C ATOM 505 CE1 HIS A 34 -2.302 7.336 4.312 1.00 0.00 C ATOM 506 NE2 HIS A 34 -3.052 7.783 5.295 1.00 0.00 N ATOM 0 H HIS A 34 1.059 9.609 5.482 1.00 0.00 H new ATOM 0 HA HIS A 34 0.062 12.239 5.673 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.659 11.486 4.224 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.222 10.592 3.769 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -0.798 8.243 3.185 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.150 9.714 6.310 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.343 6.344 3.886 1.00 0.00 H new ATOM 515 N ILE A 35 -1.367 9.974 7.565 1.00 0.00 N ATOM 516 CA ILE A 35 -2.283 9.743 8.680 1.00 0.00 C ATOM 517 C ILE A 35 -1.605 9.776 10.059 1.00 0.00 C ATOM 518 O ILE A 35 -2.293 9.878 11.071 1.00 0.00 O ATOM 519 CB ILE A 35 -3.029 8.398 8.508 1.00 0.00 C ATOM 520 CG1 ILE A 35 -3.821 8.043 9.767 1.00 0.00 C ATOM 521 CG2 ILE A 35 -2.054 7.286 8.152 1.00 0.00 C ATOM 522 CD1 ILE A 35 -5.062 7.228 9.477 1.00 0.00 C ATOM 0 H ILE A 35 -0.865 9.140 7.260 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.989 10.573 8.652 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.738 8.508 7.687 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.178 7.485 10.448 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.108 8.961 10.279 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.598 6.349 8.035 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.548 7.531 7.218 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.316 7.181 8.947 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.580 7.009 10.411 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.723 7.793 8.820 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.779 6.294 8.991 1.00 0.00 H new ATOM 534 N VAL A 36 -0.279 9.664 10.123 1.00 0.00 N ATOM 535 CA VAL A 36 0.391 9.665 11.427 1.00 0.00 C ATOM 536 C VAL A 36 0.106 10.953 12.194 1.00 0.00 C ATOM 537 O VAL A 36 -0.309 10.913 13.351 1.00 0.00 O ATOM 538 CB VAL A 36 1.922 9.454 11.329 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.605 10.623 10.637 1.00 0.00 C ATOM 540 CG2 VAL A 36 2.507 9.241 12.719 1.00 0.00 C ATOM 0 H VAL A 36 0.338 9.574 9.316 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.024 8.815 11.968 1.00 0.00 H new ATOM 0 HB VAL A 36 2.102 8.565 10.724 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.678 10.439 10.587 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.208 10.731 9.628 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.419 11.538 11.200 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.584 9.093 12.642 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.304 10.116 13.337 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.052 8.361 13.174 1.00 0.00 H new ATOM 550 N ALA A 37 0.325 12.092 11.545 1.00 0.00 N ATOM 551 CA ALA A 37 0.080 13.383 12.175 1.00 0.00 C ATOM 552 C ALA A 37 -1.415 13.654 12.284 1.00 0.00 C ATOM 553 O ALA A 37 -1.859 14.416 13.142 1.00 0.00 O ATOM 554 CB ALA A 37 0.762 14.492 11.390 1.00 0.00 C ATOM 0 H ALA A 37 0.670 12.147 10.587 1.00 0.00 H new ATOM 0 HA ALA A 37 0.498 13.358 13.181 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.570 15.450 11.873 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.836 14.309 11.360 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.369 14.513 10.373 1.00 0.00 H new ATOM 560 N ILE A 38 -2.189 13.031 11.400 1.00 0.00 N ATOM 561 CA ILE A 38 -3.639 13.216 11.393 1.00 0.00 C ATOM 562 C ILE A 38 -4.342 12.256 12.354 1.00 0.00 C ATOM 563 O ILE A 38 -4.896 12.680 13.367 1.00 0.00 O ATOM 564 CB ILE A 38 -4.217 13.035 9.978 1.00 0.00 C ATOM 565 CG1 ILE A 38 -3.377 13.821 8.969 1.00 0.00 C ATOM 566 CG2 ILE A 38 -5.667 13.489 9.934 1.00 0.00 C ATOM 567 CD1 ILE A 38 -3.287 15.297 9.282 1.00 0.00 C ATOM 0 H ILE A 38 -1.840 12.396 10.682 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.823 14.237 11.728 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.184 11.978 9.715 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.371 13.402 8.940 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.804 13.694 7.974 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.060 13.354 8.926 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.255 12.897 10.635 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.727 14.542 10.209 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.677 15.793 8.527 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.287 15.730 9.282 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.832 15.434 10.263 1.00 0.00 H new ATOM 579 N ASN A 39 -4.310 10.967 12.038 1.00 0.00 N ATOM 580 CA ASN A 39 -4.937 9.955 12.886 1.00 0.00 C ATOM 581 C ASN A 39 -3.918 8.899 13.311 1.00 0.00 C ATOM 582 O ASN A 39 -3.868 7.805 12.748 1.00 0.00 O ATOM 583 CB ASN A 39 -6.116 9.299 12.162 1.00 0.00 C ATOM 584 CG ASN A 39 -7.357 9.219 13.033 1.00 0.00 C ATOM 585 OD1 ASN A 39 -8.195 10.122 13.021 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.480 8.139 13.796 1.00 0.00 N ATOM 0 H ASN A 39 -3.858 10.596 11.202 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.314 10.449 13.782 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.345 9.865 11.259 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.832 8.295 11.846 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.293 8.033 14.403 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.762 7.415 13.775 1.00 0.00 H new ATOM 593 N PRO A 40 -3.087 9.220 14.319 1.00 0.00 N ATOM 594 CA PRO A 40 -2.061 8.301 14.822 1.00 0.00 C ATOM 595 C PRO A 40 -2.629 6.931 15.174 1.00 0.00 C ATOM 596 O PRO A 40 -2.081 5.900 14.783 1.00 0.00 O ATOM 597 CB PRO A 40 -1.540 8.992 16.082 1.00 0.00 C ATOM 598 CG PRO A 40 -1.855 10.436 15.900 1.00 0.00 C ATOM 599 CD PRO A 40 -3.086 10.505 15.040 1.00 0.00 C ATOM 0 HA PRO A 40 -1.292 8.112 14.073 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.021 8.594 16.976 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.468 8.836 16.201 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.028 10.919 16.862 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.023 10.957 15.427 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.987 10.626 15.641 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.046 11.349 14.352 1.00 0.00 H new ATOM 607 N ALA A 41 -3.730 6.927 15.918 1.00 0.00 N ATOM 608 CA ALA A 41 -4.372 5.682 16.329 1.00 0.00 C ATOM 609 C ALA A 41 -5.170 5.063 15.182 1.00 0.00 C ATOM 610 O ALA A 41 -6.303 4.618 15.365 1.00 0.00 O ATOM 611 CB ALA A 41 -5.264 5.926 17.538 1.00 0.00 C ATOM 0 H ALA A 41 -4.197 7.771 16.249 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.592 4.973 16.606 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.738 4.990 17.836 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.662 6.307 18.363 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.032 6.656 17.282 1.00 0.00 H new ATOM 617 N ALA A 42 -4.562 5.028 14.000 1.00 0.00 N ATOM 618 CA ALA A 42 -5.197 4.457 12.821 1.00 0.00 C ATOM 619 C ALA A 42 -4.148 4.088 11.778 1.00 0.00 C ATOM 620 O ALA A 42 -4.217 3.023 11.167 1.00 0.00 O ATOM 621 CB ALA A 42 -6.210 5.421 12.233 1.00 0.00 C ATOM 0 H ALA A 42 -3.623 5.392 13.835 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.723 3.551 13.123 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.671 4.972 11.353 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.979 5.638 12.975 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.709 6.346 11.948 1.00 0.00 H new ATOM 627 N ALA A 43 -3.177 4.985 11.586 1.00 0.00 N ATOM 628 CA ALA A 43 -2.096 4.774 10.622 1.00 0.00 C ATOM 629 C ALA A 43 -1.684 3.307 10.568 1.00 0.00 C ATOM 630 O ALA A 43 -1.596 2.715 9.492 1.00 0.00 O ATOM 631 CB ALA A 43 -0.900 5.644 10.975 1.00 0.00 C ATOM 0 H ALA A 43 -3.119 5.870 12.090 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.463 5.057 9.636 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.103 5.478 10.251 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.195 6.693 10.956 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.544 5.386 11.972 1.00 0.00 H new ATOM 637 N ALA A 44 -1.428 2.726 11.737 1.00 0.00 N ATOM 638 CA ALA A 44 -1.024 1.329 11.826 1.00 0.00 C ATOM 639 C ALA A 44 -2.011 0.417 11.102 1.00 0.00 C ATOM 640 O ALA A 44 -1.613 -0.519 10.408 1.00 0.00 O ATOM 641 CB ALA A 44 -0.882 0.911 13.284 1.00 0.00 C ATOM 0 H ALA A 44 -1.494 3.203 12.636 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.056 1.228 11.335 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.580 -0.135 13.335 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.127 1.531 13.768 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.837 1.038 13.794 1.00 0.00 H new ATOM 647 N LYS A 45 -3.298 0.698 11.268 1.00 0.00 N ATOM 648 CA LYS A 45 -4.342 -0.091 10.627 1.00 0.00 C ATOM 649 C LYS A 45 -4.450 0.254 9.148 1.00 0.00 C ATOM 650 O LYS A 45 -4.500 -0.628 8.293 1.00 0.00 O ATOM 651 CB LYS A 45 -5.689 0.161 11.308 1.00 0.00 C ATOM 652 CG LYS A 45 -5.787 -0.433 12.702 1.00 0.00 C ATOM 653 CD LYS A 45 -6.673 -1.670 12.720 1.00 0.00 C ATOM 654 CE LYS A 45 -6.266 -2.633 13.822 1.00 0.00 C ATOM 655 NZ LYS A 45 -5.959 -3.992 13.293 1.00 0.00 N ATOM 0 H LYS A 45 -3.644 1.467 11.842 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.077 -1.144 10.725 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.861 1.236 11.367 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.483 -0.255 10.688 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.790 -0.693 13.059 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.187 0.313 13.389 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.712 -1.372 12.862 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.615 -2.174 11.755 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -5.392 -2.240 14.341 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.068 -2.703 14.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.686 -4.617 14.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.800 -4.379 12.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.176 -3.930 12.611 1.00 0.00 H new ATOM 669 N VAL A 46 -4.489 1.547 8.863 1.00 0.00 N ATOM 670 CA VAL A 46 -4.598 2.033 7.494 1.00 0.00 C ATOM 671 C VAL A 46 -3.407 1.604 6.646 1.00 0.00 C ATOM 672 O VAL A 46 -3.576 1.004 5.588 1.00 0.00 O ATOM 673 CB VAL A 46 -4.702 3.567 7.464 1.00 0.00 C ATOM 674 CG1 VAL A 46 -5.109 4.048 6.081 1.00 0.00 C ATOM 675 CG2 VAL A 46 -5.682 4.059 8.518 1.00 0.00 C ATOM 0 H VAL A 46 -4.446 2.284 9.567 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.504 1.594 7.076 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.721 3.982 7.694 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.177 5.136 6.080 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.364 3.730 5.351 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.078 3.623 5.819 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.741 5.147 8.480 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.667 3.635 8.325 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.341 3.748 9.505 1.00 0.00 H new ATOM 685 N THR A 47 -2.208 1.926 7.110 1.00 0.00 N ATOM 686 CA THR A 47 -0.984 1.584 6.390 1.00 0.00 C ATOM 687 C THR A 47 -0.885 0.082 6.134 1.00 0.00 C ATOM 688 O THR A 47 -0.648 -0.351 5.007 1.00 0.00 O ATOM 689 CB THR A 47 0.236 2.054 7.181 1.00 0.00 C ATOM 690 OG1 THR A 47 0.118 3.425 7.517 1.00 0.00 O ATOM 691 CG2 THR A 47 1.541 1.871 6.437 1.00 0.00 C ATOM 0 H THR A 47 -2.054 2.426 7.986 1.00 0.00 H new ATOM 0 HA THR A 47 -1.013 2.090 5.425 1.00 0.00 H new ATOM 0 HB THR A 47 0.258 1.430 8.074 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.459 3.521 8.303 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.365 2.225 7.056 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.685 0.815 6.210 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.514 2.441 5.508 1.00 0.00 H new ATOM 699 N GLY A 48 -1.043 -0.706 7.192 1.00 0.00 N ATOM 700 CA GLY A 48 -0.942 -2.147 7.067 1.00 0.00 C ATOM 701 C GLY A 48 -2.102 -2.753 6.315 1.00 0.00 C ATOM 702 O GLY A 48 -1.909 -3.455 5.321 1.00 0.00 O ATOM 0 H GLY A 48 -1.240 -0.371 8.135 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.013 -2.398 6.556 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.889 -2.590 8.061 1.00 0.00 H new ATOM 706 N MET A 49 -3.311 -2.481 6.783 1.00 0.00 N ATOM 707 CA MET A 49 -4.503 -3.004 6.138 1.00 0.00 C ATOM 708 C MET A 49 -4.657 -2.405 4.749 1.00 0.00 C ATOM 709 O MET A 49 -4.860 -3.135 3.783 1.00 0.00 O ATOM 710 CB MET A 49 -5.748 -2.701 6.974 1.00 0.00 C ATOM 711 CG MET A 49 -5.648 -3.174 8.414 1.00 0.00 C ATOM 712 SD MET A 49 -5.649 -4.970 8.554 1.00 0.00 S ATOM 713 CE MET A 49 -3.953 -5.271 9.047 1.00 0.00 C ATOM 0 H MET A 49 -3.491 -1.903 7.604 1.00 0.00 H new ATOM 0 HA MET A 49 -4.396 -4.085 6.051 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.927 -1.626 6.966 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.612 -3.172 6.506 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.735 -2.779 8.860 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.483 -2.768 8.985 1.00 0.00 H new ATOM 0 HE1 MET A 49 -3.796 -6.342 9.174 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.278 -4.894 8.278 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.752 -4.760 9.989 1.00 0.00 H new ATOM 723 N LEU A 50 -4.583 -1.070 4.682 1.00 0.00 N ATOM 724 CA LEU A 50 -4.736 -0.303 3.432 1.00 0.00 C ATOM 725 C LEU A 50 -5.509 -1.059 2.352 1.00 0.00 C ATOM 726 O LEU A 50 -6.618 -0.668 1.987 1.00 0.00 O ATOM 727 CB LEU A 50 -3.372 0.097 2.879 1.00 0.00 C ATOM 728 CG LEU A 50 -3.427 0.927 1.591 1.00 0.00 C ATOM 729 CD1 LEU A 50 -4.185 2.235 1.821 1.00 0.00 C ATOM 730 CD2 LEU A 50 -2.023 1.194 1.070 1.00 0.00 C ATOM 0 H LEU A 50 -4.414 -0.483 5.499 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.315 0.583 3.693 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.838 0.666 3.640 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.792 -0.806 2.690 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.967 0.356 0.836 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.212 2.808 0.894 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.203 2.014 2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.681 2.817 2.593 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.080 1.784 0.155 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.454 1.743 1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.527 0.247 0.860 1.00 0.00 H new ATOM 742 N LEU A 51 -4.922 -2.135 1.846 1.00 0.00 N ATOM 743 CA LEU A 51 -5.552 -2.936 0.809 1.00 0.00 C ATOM 744 C LEU A 51 -6.756 -3.697 1.354 1.00 0.00 C ATOM 745 O LEU A 51 -6.758 -4.926 1.402 1.00 0.00 O ATOM 746 CB LEU A 51 -4.530 -3.903 0.203 1.00 0.00 C ATOM 747 CG LEU A 51 -3.124 -3.320 0.017 1.00 0.00 C ATOM 748 CD1 LEU A 51 -2.164 -3.882 1.055 1.00 0.00 C ATOM 749 CD2 LEU A 51 -2.609 -3.595 -1.390 1.00 0.00 C ATOM 0 H LEU A 51 -4.006 -2.473 2.140 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.912 -2.266 0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.461 -4.784 0.842 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.899 -4.240 -0.766 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.184 -2.241 0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.173 -3.454 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.519 -3.629 2.054 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.111 -4.966 0.952 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.610 -3.173 -1.501 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.569 -4.671 -1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.279 -3.138 -2.118 1.00 0.00 H new ATOM 761 N GLU A 52 -7.788 -2.955 1.755 1.00 0.00 N ATOM 762 CA GLU A 52 -9.004 -3.555 2.285 1.00 0.00 C ATOM 763 C GLU A 52 -9.974 -3.870 1.152 1.00 0.00 C ATOM 764 O GLU A 52 -9.713 -3.550 -0.008 1.00 0.00 O ATOM 765 CB GLU A 52 -9.675 -2.611 3.288 1.00 0.00 C ATOM 766 CG GLU A 52 -9.073 -2.666 4.681 1.00 0.00 C ATOM 767 CD GLU A 52 -9.369 -3.970 5.396 1.00 0.00 C ATOM 768 OE1 GLU A 52 -8.870 -5.022 4.944 1.00 0.00 O ATOM 769 OE2 GLU A 52 -10.100 -3.940 6.409 1.00 0.00 O ATOM 0 H GLU A 52 -7.802 -1.936 1.721 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.735 -4.480 2.795 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.606 -1.590 2.913 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.735 -2.857 3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.994 -2.532 4.611 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.460 -1.836 5.272 1.00 0.00 H new ATOM 776 N MET A 53 -11.086 -4.509 1.489 1.00 0.00 N ATOM 777 CA MET A 53 -12.079 -4.873 0.488 1.00 0.00 C ATOM 778 C MET A 53 -12.679 -3.636 -0.183 1.00 0.00 C ATOM 779 O MET A 53 -12.552 -3.460 -1.393 1.00 0.00 O ATOM 780 CB MET A 53 -13.189 -5.709 1.129 1.00 0.00 C ATOM 781 CG MET A 53 -12.740 -7.099 1.551 1.00 0.00 C ATOM 782 SD MET A 53 -12.027 -8.045 0.189 1.00 0.00 S ATOM 783 CE MET A 53 -13.236 -7.753 -1.099 1.00 0.00 C ATOM 0 H MET A 53 -11.322 -4.785 2.442 1.00 0.00 H new ATOM 0 HA MET A 53 -11.578 -5.462 -0.280 1.00 0.00 H new ATOM 0 HB2 MET A 53 -13.572 -5.180 2.001 1.00 0.00 H new ATOM 0 HB3 MET A 53 -14.015 -5.802 0.424 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.005 -7.011 2.351 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.592 -7.643 1.959 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.122 -8.503 -1.882 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.239 -7.817 -0.678 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.084 -6.760 -1.523 1.00 0.00 H new ATOM 793 N ASP A 54 -13.326 -2.783 0.602 1.00 0.00 N ATOM 794 CA ASP A 54 -13.938 -1.572 0.063 1.00 0.00 C ATOM 795 C ASP A 54 -12.992 -0.384 0.167 1.00 0.00 C ATOM 796 O ASP A 54 -12.445 0.072 -0.835 1.00 0.00 O ATOM 797 CB ASP A 54 -15.248 -1.276 0.794 1.00 0.00 C ATOM 798 CG ASP A 54 -15.879 0.037 0.366 1.00 0.00 C ATOM 799 OD1 ASP A 54 -16.603 0.047 -0.652 1.00 0.00 O ATOM 800 OD2 ASP A 54 -15.649 1.056 1.051 1.00 0.00 O ATOM 0 H ASP A 54 -13.441 -2.905 1.608 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.150 -1.739 -0.993 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.952 -2.088 0.611 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.062 -1.251 1.868 1.00 0.00 H new ATOM 805 N ASN A 55 -12.799 0.113 1.386 1.00 0.00 N ATOM 806 CA ASN A 55 -11.909 1.251 1.615 1.00 0.00 C ATOM 807 C ASN A 55 -10.596 1.062 0.866 1.00 0.00 C ATOM 808 O ASN A 55 -9.953 2.031 0.460 1.00 0.00 O ATOM 809 CB ASN A 55 -11.628 1.412 3.108 1.00 0.00 C ATOM 810 CG ASN A 55 -11.052 2.774 3.440 1.00 0.00 C ATOM 811 OD1 ASN A 55 -11.789 3.719 3.721 1.00 0.00 O ATOM 812 ND2 ASN A 55 -9.729 2.877 3.415 1.00 0.00 N ATOM 0 H ASN A 55 -13.244 -0.252 2.228 1.00 0.00 H new ATOM 0 HA ASN A 55 -12.402 2.149 1.244 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.552 1.264 3.668 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.932 0.637 3.430 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.283 3.767 3.635 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.159 2.066 3.176 1.00 0.00 H new ATOM 819 N GLY A 56 -10.207 -0.195 0.689 1.00 0.00 N ATOM 820 CA GLY A 56 -8.976 -0.502 -0.006 1.00 0.00 C ATOM 821 C GLY A 56 -9.025 -0.144 -1.478 1.00 0.00 C ATOM 822 O GLY A 56 -8.190 0.624 -1.953 1.00 0.00 O ATOM 0 H GLY A 56 -10.727 -1.009 1.017 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.154 0.036 0.466 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.762 -1.566 0.097 1.00 0.00 H new ATOM 826 N GLU A 57 -9.984 -0.710 -2.212 1.00 0.00 N ATOM 827 CA GLU A 57 -10.099 -0.439 -3.650 1.00 0.00 C ATOM 828 C GLU A 57 -9.757 1.009 -3.988 1.00 0.00 C ATOM 829 O GLU A 57 -8.941 1.275 -4.869 1.00 0.00 O ATOM 830 CB GLU A 57 -11.502 -0.748 -4.146 1.00 0.00 C ATOM 831 CG GLU A 57 -11.945 -2.169 -3.859 1.00 0.00 C ATOM 832 CD GLU A 57 -11.124 -3.206 -4.603 1.00 0.00 C ATOM 833 OE1 GLU A 57 -10.242 -2.812 -5.395 1.00 0.00 O ATOM 834 OE2 GLU A 57 -11.363 -4.413 -4.395 1.00 0.00 O ATOM 0 H GLU A 57 -10.686 -1.352 -1.843 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.381 -1.089 -4.150 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.204 -0.056 -3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.546 -0.572 -5.221 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.874 -2.357 -2.788 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.994 -2.279 -4.133 1.00 0.00 H new ATOM 841 N ILE A 58 -10.388 1.938 -3.282 1.00 0.00 N ATOM 842 CA ILE A 58 -10.151 3.359 -3.500 1.00 0.00 C ATOM 843 C ILE A 58 -8.662 3.679 -3.398 1.00 0.00 C ATOM 844 O ILE A 58 -8.112 4.405 -4.226 1.00 0.00 O ATOM 845 CB ILE A 58 -10.945 4.205 -2.480 1.00 0.00 C ATOM 846 CG1 ILE A 58 -12.447 4.012 -2.697 1.00 0.00 C ATOM 847 CG2 ILE A 58 -10.579 5.683 -2.579 1.00 0.00 C ATOM 848 CD1 ILE A 58 -13.299 4.598 -1.593 1.00 0.00 C ATOM 0 H ILE A 58 -11.070 1.732 -2.552 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.493 3.609 -4.504 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.682 3.864 -1.479 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.730 4.470 -3.645 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.659 2.946 -2.781 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -11.155 6.250 -1.848 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.515 5.809 -2.379 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.805 6.047 -3.581 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.352 4.423 -1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -13.044 4.123 -0.646 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -13.116 5.670 -1.522 1.00 0.00 H new ATOM 860 N LEU A 59 -8.021 3.130 -2.367 1.00 0.00 N ATOM 861 CA LEU A 59 -6.597 3.345 -2.129 1.00 0.00 C ATOM 862 C LEU A 59 -5.792 3.327 -3.428 1.00 0.00 C ATOM 863 O LEU A 59 -4.813 4.060 -3.575 1.00 0.00 O ATOM 864 CB LEU A 59 -6.068 2.276 -1.173 1.00 0.00 C ATOM 865 CG LEU A 59 -5.570 0.990 -1.840 1.00 0.00 C ATOM 866 CD1 LEU A 59 -4.120 1.139 -2.277 1.00 0.00 C ATOM 867 CD2 LEU A 59 -5.727 -0.184 -0.893 1.00 0.00 C ATOM 0 H LEU A 59 -8.472 2.528 -1.678 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.479 4.333 -1.683 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.251 2.704 -0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.859 2.018 -0.469 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.173 0.802 -2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.785 0.215 -2.748 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.037 1.960 -2.989 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.498 1.349 -1.407 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.370 -1.093 -1.378 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.146 -0.002 0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.778 -0.302 -0.631 1.00 0.00 H new ATOM 879 N ASN A 60 -6.210 2.480 -4.361 1.00 0.00 N ATOM 880 CA ASN A 60 -5.527 2.356 -5.648 1.00 0.00 C ATOM 881 C ASN A 60 -5.265 3.723 -6.282 1.00 0.00 C ATOM 882 O ASN A 60 -4.371 3.865 -7.117 1.00 0.00 O ATOM 883 CB ASN A 60 -6.352 1.490 -6.602 1.00 0.00 C ATOM 884 CG ASN A 60 -5.502 0.476 -7.343 1.00 0.00 C ATOM 885 OD1 ASN A 60 -4.530 0.833 -8.010 1.00 0.00 O ATOM 886 ND2 ASN A 60 -5.868 -0.796 -7.234 1.00 0.00 N ATOM 0 H ASN A 60 -7.019 1.868 -4.253 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.564 1.880 -5.466 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.126 0.969 -6.038 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.860 2.131 -7.323 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.337 -1.522 -7.714 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.680 -1.046 -6.670 1.00 0.00 H new ATOM 893 N LEU A 61 -6.049 4.726 -5.891 1.00 0.00 N ATOM 894 CA LEU A 61 -5.893 6.071 -6.437 1.00 0.00 C ATOM 895 C LEU A 61 -5.557 7.088 -5.349 1.00 0.00 C ATOM 896 O LEU A 61 -6.243 8.101 -5.209 1.00 0.00 O ATOM 897 CB LEU A 61 -7.174 6.493 -7.160 1.00 0.00 C ATOM 898 CG LEU A 61 -7.528 5.652 -8.386 1.00 0.00 C ATOM 899 CD1 LEU A 61 -8.836 4.906 -8.164 1.00 0.00 C ATOM 900 CD2 LEU A 61 -7.610 6.522 -9.634 1.00 0.00 C ATOM 0 H LEU A 61 -6.795 4.633 -5.202 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.062 6.047 -7.142 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.004 6.448 -6.455 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.074 7.534 -7.468 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.736 4.918 -8.536 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.071 4.313 -9.048 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.737 4.248 -7.301 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.637 5.622 -7.984 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.863 5.902 -10.494 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.378 7.283 -9.497 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.648 7.004 -9.805 1.00 0.00 H new ATOM 912 N LEU A 62 -4.506 6.807 -4.577 1.00 0.00 N ATOM 913 CA LEU A 62 -4.064 7.685 -3.483 1.00 0.00 C ATOM 914 C LEU A 62 -4.405 9.155 -3.750 1.00 0.00 C ATOM 915 O LEU A 62 -3.624 9.886 -4.358 1.00 0.00 O ATOM 916 CB LEU A 62 -2.557 7.530 -3.269 1.00 0.00 C ATOM 917 CG LEU A 62 -2.110 6.131 -2.850 1.00 0.00 C ATOM 918 CD1 LEU A 62 -0.772 5.783 -3.486 1.00 0.00 C ATOM 919 CD2 LEU A 62 -2.028 6.026 -1.333 1.00 0.00 C ATOM 0 H LEU A 62 -3.936 5.968 -4.689 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.599 7.383 -2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.044 7.799 -4.192 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.237 8.242 -2.508 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.852 5.414 -3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.471 4.783 -3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.866 5.813 -4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.019 6.504 -3.167 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.708 5.022 -1.055 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.309 6.754 -0.956 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.008 6.227 -0.901 1.00 0.00 H new ATOM 931 N ASP A 63 -5.589 9.566 -3.297 1.00 0.00 N ATOM 932 CA ASP A 63 -6.057 10.936 -3.492 1.00 0.00 C ATOM 933 C ASP A 63 -6.141 11.691 -2.167 1.00 0.00 C ATOM 934 O ASP A 63 -6.001 11.108 -1.099 1.00 0.00 O ATOM 935 CB ASP A 63 -7.426 10.925 -4.175 1.00 0.00 C ATOM 936 CG ASP A 63 -7.353 11.337 -5.632 1.00 0.00 C ATOM 937 OD1 ASP A 63 -6.231 11.401 -6.176 1.00 0.00 O ATOM 938 OD2 ASP A 63 -8.419 11.594 -6.230 1.00 0.00 O ATOM 0 H ASP A 63 -6.242 8.968 -2.791 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.337 11.452 -4.127 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.855 9.925 -4.105 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.099 11.599 -3.644 1.00 0.00 H new ATOM 943 N THR A 64 -6.376 12.994 -2.244 1.00 0.00 N ATOM 944 CA THR A 64 -6.480 13.813 -1.043 1.00 0.00 C ATOM 945 C THR A 64 -7.805 13.565 -0.328 1.00 0.00 C ATOM 946 O THR A 64 -7.822 13.230 0.850 1.00 0.00 O ATOM 947 CB THR A 64 -6.336 15.298 -1.383 1.00 0.00 C ATOM 948 OG1 THR A 64 -6.125 15.480 -2.772 1.00 0.00 O ATOM 949 CG2 THR A 64 -5.190 15.963 -0.653 1.00 0.00 C ATOM 0 H THR A 64 -6.498 13.504 -3.119 1.00 0.00 H new ATOM 0 HA THR A 64 -5.667 13.529 -0.375 1.00 0.00 H new ATOM 0 HB THR A 64 -7.270 15.761 -1.066 1.00 0.00 H new ATOM 0 HG1 THR A 64 -6.037 16.436 -2.967 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.140 17.014 -0.936 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.349 15.884 0.422 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.255 15.471 -0.919 1.00 0.00 H new ATOM 957 N PRO A 65 -8.940 13.718 -1.029 1.00 0.00 N ATOM 958 CA PRO A 65 -10.254 13.498 -0.428 1.00 0.00 C ATOM 959 C PRO A 65 -10.507 12.026 -0.118 1.00 0.00 C ATOM 960 O PRO A 65 -10.597 11.633 1.046 1.00 0.00 O ATOM 961 CB PRO A 65 -11.237 14.007 -1.486 1.00 0.00 C ATOM 962 CG PRO A 65 -10.488 13.986 -2.778 1.00 0.00 C ATOM 963 CD PRO A 65 -9.025 14.112 -2.446 1.00 0.00 C ATOM 0 HA PRO A 65 -10.351 14.011 0.529 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.122 13.372 -1.536 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.580 15.014 -1.249 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -10.681 13.060 -3.320 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -10.808 14.805 -3.422 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.416 13.464 -3.077 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.669 15.131 -2.598 1.00 0.00 H new ATOM 971 N GLY A 66 -10.631 11.219 -1.166 1.00 0.00 N ATOM 972 CA GLY A 66 -10.882 9.799 -0.996 1.00 0.00 C ATOM 973 C GLY A 66 -9.982 9.154 0.041 1.00 0.00 C ATOM 974 O GLY A 66 -10.456 8.689 1.077 1.00 0.00 O ATOM 0 H GLY A 66 -10.562 11.525 -2.136 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.923 9.652 -0.706 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.743 9.295 -1.952 1.00 0.00 H new ATOM 978 N LEU A 67 -8.681 9.118 -0.237 1.00 0.00 N ATOM 979 CA LEU A 67 -7.717 8.519 0.679 1.00 0.00 C ATOM 980 C LEU A 67 -7.900 9.045 2.101 1.00 0.00 C ATOM 981 O LEU A 67 -8.363 8.319 2.979 1.00 0.00 O ATOM 982 CB LEU A 67 -6.300 8.822 0.189 1.00 0.00 C ATOM 983 CG LEU A 67 -5.401 7.611 -0.059 1.00 0.00 C ATOM 984 CD1 LEU A 67 -4.774 7.135 1.239 1.00 0.00 C ATOM 985 CD2 LEU A 67 -6.182 6.488 -0.725 1.00 0.00 C ATOM 0 H LEU A 67 -8.271 9.497 -1.090 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.882 7.442 0.699 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.372 9.391 -0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.814 9.466 0.922 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.600 7.913 -0.733 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.138 6.272 1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.174 7.937 1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.559 6.853 1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.523 5.636 -0.892 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.008 6.187 -0.080 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.576 6.835 -1.680 1.00 0.00 H new ATOM 997 N LEU A 68 -7.531 10.308 2.321 1.00 0.00 N ATOM 998 CA LEU A 68 -7.640 10.925 3.650 1.00 0.00 C ATOM 999 C LEU A 68 -8.971 10.602 4.318 1.00 0.00 C ATOM 1000 O LEU A 68 -9.005 10.176 5.473 1.00 0.00 O ATOM 1001 CB LEU A 68 -7.449 12.442 3.567 1.00 0.00 C ATOM 1002 CG LEU A 68 -6.102 12.958 4.088 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -4.950 12.161 3.490 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -5.944 14.437 3.772 1.00 0.00 C ATOM 0 H LEU A 68 -7.155 10.924 1.601 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.845 10.502 4.264 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.561 12.750 2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.248 12.924 4.130 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.081 12.828 5.170 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.005 12.544 3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.053 11.111 3.763 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.966 12.256 2.404 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.983 14.789 4.148 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.988 14.585 2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.748 14.999 4.248 1.00 0.00 H new ATOM 1016 N ASP A 69 -10.067 10.790 3.594 1.00 0.00 N ATOM 1017 CA ASP A 69 -11.382 10.495 4.144 1.00 0.00 C ATOM 1018 C ASP A 69 -11.471 9.018 4.510 1.00 0.00 C ATOM 1019 O ASP A 69 -11.829 8.662 5.630 1.00 0.00 O ATOM 1020 CB ASP A 69 -12.477 10.866 3.142 1.00 0.00 C ATOM 1021 CG ASP A 69 -13.848 10.945 3.788 1.00 0.00 C ATOM 1022 OD1 ASP A 69 -14.084 10.211 4.770 1.00 0.00 O ATOM 1023 OD2 ASP A 69 -14.684 11.741 3.312 1.00 0.00 O ATOM 0 H ASP A 69 -10.072 11.141 2.636 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.529 11.090 5.045 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.238 11.826 2.685 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.498 10.128 2.340 1.00 0.00 H new ATOM 1028 N ALA A 70 -11.138 8.164 3.551 1.00 0.00 N ATOM 1029 CA ALA A 70 -11.176 6.717 3.754 1.00 0.00 C ATOM 1030 C ALA A 70 -10.075 6.231 4.700 1.00 0.00 C ATOM 1031 O ALA A 70 -10.024 5.047 5.034 1.00 0.00 O ATOM 1032 CB ALA A 70 -11.066 6.003 2.416 1.00 0.00 C ATOM 0 H ALA A 70 -10.837 8.448 2.619 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.131 6.480 4.222 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.095 4.925 2.575 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.898 6.298 1.777 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.126 6.274 1.935 1.00 0.00 H new ATOM 1038 N LYS A 71 -9.190 7.133 5.127 1.00 0.00 N ATOM 1039 CA LYS A 71 -8.101 6.761 6.028 1.00 0.00 C ATOM 1040 C LYS A 71 -8.593 6.578 7.459 1.00 0.00 C ATOM 1041 O LYS A 71 -8.374 5.533 8.073 1.00 0.00 O ATOM 1042 CB LYS A 71 -6.997 7.823 6.014 1.00 0.00 C ATOM 1043 CG LYS A 71 -6.210 7.899 4.714 1.00 0.00 C ATOM 1044 CD LYS A 71 -5.504 6.593 4.393 1.00 0.00 C ATOM 1045 CE LYS A 71 -6.428 5.598 3.702 1.00 0.00 C ATOM 1046 NZ LYS A 71 -5.679 4.649 2.835 1.00 0.00 N ATOM 0 H LYS A 71 -9.206 8.119 4.865 1.00 0.00 H new ATOM 0 HA LYS A 71 -7.703 5.812 5.669 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.445 8.797 6.210 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.305 7.620 6.831 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.885 8.155 3.897 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.474 8.700 4.783 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.644 6.794 3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -5.121 6.153 5.313 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.986 5.039 4.454 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.158 6.139 3.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -5.960 4.789 1.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.658 4.821 2.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -5.895 3.673 3.121 1.00 0.00 H new ATOM 1060 N VAL A 72 -9.240 7.606 7.989 1.00 0.00 N ATOM 1061 CA VAL A 72 -9.741 7.568 9.356 1.00 0.00 C ATOM 1062 C VAL A 72 -11.009 6.726 9.476 1.00 0.00 C ATOM 1063 O VAL A 72 -11.151 5.940 10.412 1.00 0.00 O ATOM 1064 CB VAL A 72 -10.019 8.987 9.881 1.00 0.00 C ATOM 1065 CG1 VAL A 72 -8.732 9.794 9.928 1.00 0.00 C ATOM 1066 CG2 VAL A 72 -11.061 9.685 9.019 1.00 0.00 C ATOM 0 H VAL A 72 -9.431 8.477 7.493 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.962 7.105 9.962 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.415 8.909 10.894 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.944 10.796 10.301 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.019 9.303 10.590 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.309 9.862 8.926 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -11.243 10.687 9.408 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.698 9.754 7.994 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -11.990 9.115 9.037 1.00 0.00 H new ATOM 1076 N GLN A 73 -11.933 6.903 8.539 1.00 0.00 N ATOM 1077 CA GLN A 73 -13.193 6.164 8.561 1.00 0.00 C ATOM 1078 C GLN A 73 -12.962 4.661 8.679 1.00 0.00 C ATOM 1079 O GLN A 73 -13.486 4.017 9.587 1.00 0.00 O ATOM 1080 CB GLN A 73 -14.002 6.469 7.300 1.00 0.00 C ATOM 1081 CG GLN A 73 -14.339 7.942 7.137 1.00 0.00 C ATOM 1082 CD GLN A 73 -14.942 8.546 8.389 1.00 0.00 C ATOM 1083 OE1 GLN A 73 -15.712 7.897 9.098 1.00 0.00 O ATOM 1084 NE2 GLN A 73 -14.595 9.798 8.667 1.00 0.00 N ATOM 0 H GLN A 73 -11.836 7.549 7.756 1.00 0.00 H new ATOM 0 HA GLN A 73 -13.752 6.487 9.440 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.440 6.134 6.428 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -14.927 5.893 7.323 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.435 8.490 6.873 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -15.037 8.061 6.308 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.954 10.298 8.051 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.970 10.259 9.496 1.00 0.00 H new ATOM 1093 N GLU A 74 -12.181 4.106 7.761 1.00 0.00 N ATOM 1094 CA GLU A 74 -11.893 2.677 7.764 1.00 0.00 C ATOM 1095 C GLU A 74 -11.148 2.262 9.031 1.00 0.00 C ATOM 1096 O GLU A 74 -11.480 1.252 9.651 1.00 0.00 O ATOM 1097 CB GLU A 74 -11.077 2.305 6.526 1.00 0.00 C ATOM 1098 CG GLU A 74 -10.592 0.862 6.508 1.00 0.00 C ATOM 1099 CD GLU A 74 -9.119 0.746 6.159 1.00 0.00 C ATOM 1100 OE1 GLU A 74 -8.738 1.162 5.046 1.00 0.00 O ATOM 1101 OE2 GLU A 74 -8.349 0.237 7.001 1.00 0.00 O ATOM 0 H GLU A 74 -11.735 4.624 7.004 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.842 2.141 7.744 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.683 2.484 5.638 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.214 2.967 6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.767 0.412 7.485 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.179 0.294 5.786 1.00 0.00 H new ATOM 1108 N ALA A 75 -10.143 3.040 9.411 1.00 0.00 N ATOM 1109 CA ALA A 75 -9.360 2.740 10.603 1.00 0.00 C ATOM 1110 C ALA A 75 -10.207 2.872 11.865 1.00 0.00 C ATOM 1111 O ALA A 75 -9.994 2.159 12.845 1.00 0.00 O ATOM 1112 CB ALA A 75 -8.145 3.648 10.680 1.00 0.00 C ATOM 0 H ALA A 75 -9.851 3.881 8.913 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.020 1.707 10.533 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.570 3.412 11.576 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.522 3.497 9.799 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.470 4.688 10.721 1.00 0.00 H new ATOM 1118 N LEU A 76 -11.168 3.786 11.837 1.00 0.00 N ATOM 1119 CA LEU A 76 -12.044 4.002 12.982 1.00 0.00 C ATOM 1120 C LEU A 76 -13.188 2.990 12.980 1.00 0.00 C ATOM 1121 O LEU A 76 -13.668 2.582 14.036 1.00 0.00 O ATOM 1122 CB LEU A 76 -12.589 5.430 12.977 1.00 0.00 C ATOM 1123 CG LEU A 76 -11.570 6.510 13.338 1.00 0.00 C ATOM 1124 CD1 LEU A 76 -12.212 7.889 13.306 1.00 0.00 C ATOM 1125 CD2 LEU A 76 -10.961 6.236 14.709 1.00 0.00 C ATOM 0 H LEU A 76 -11.361 4.388 11.037 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.462 3.860 13.893 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -12.990 5.646 11.987 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.422 5.488 13.678 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.772 6.487 12.596 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.469 8.643 13.566 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -12.596 8.088 12.306 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -13.032 7.925 14.023 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.238 7.016 14.948 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.749 6.228 15.462 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.460 5.268 14.698 1.00 0.00 H new ATOM 1137 N GLU A 77 -13.608 2.583 11.787 1.00 0.00 N ATOM 1138 CA GLU A 77 -14.683 1.607 11.652 1.00 0.00 C ATOM 1139 C GLU A 77 -14.241 0.258 12.204 1.00 0.00 C ATOM 1140 O GLU A 77 -14.960 -0.379 12.973 1.00 0.00 O ATOM 1141 CB GLU A 77 -15.087 1.453 10.183 1.00 0.00 C ATOM 1142 CG GLU A 77 -16.587 1.347 9.968 1.00 0.00 C ATOM 1143 CD GLU A 77 -16.943 1.013 8.532 1.00 0.00 C ATOM 1144 OE1 GLU A 77 -16.130 1.318 7.633 1.00 0.00 O ATOM 1145 OE2 GLU A 77 -18.034 0.448 8.306 1.00 0.00 O ATOM 0 H GLU A 77 -13.222 2.913 10.902 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.542 1.964 12.220 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.708 2.306 9.620 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.607 0.563 9.775 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.993 0.580 10.628 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.059 2.289 10.247 1.00 0.00 H new ATOM 1152 N VAL A 78 -13.048 -0.171 11.801 1.00 0.00 N ATOM 1153 CA VAL A 78 -12.502 -1.442 12.250 1.00 0.00 C ATOM 1154 C VAL A 78 -12.404 -1.493 13.772 1.00 0.00 C ATOM 1155 O VAL A 78 -12.590 -2.548 14.378 1.00 0.00 O ATOM 1156 CB VAL A 78 -11.120 -1.716 11.627 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -10.117 -0.654 12.046 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -10.628 -3.105 12.000 1.00 0.00 C ATOM 0 H VAL A 78 -12.443 0.346 11.163 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.189 -2.219 11.917 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.221 -1.673 10.543 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.149 -0.869 11.594 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.463 0.325 11.714 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.018 -0.655 13.132 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.651 -3.278 11.550 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.547 -3.183 13.084 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.333 -3.851 11.634 1.00 0.00 H new