USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=6 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= -9.74! C(o=-10!,f=-16!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 152:sc= -0.432 (180deg=-0.297!) USER MOD Set 2.1: A 45 LYS NZ :NH3+ -127:sc= 0.148 (180deg=-0.0511) USER MOD Set 2.2: A 49 MET CE :methyl 157:sc= -0.106 (180deg=-0.676) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.55! K(o=-2.5!,f=-1.1) USER MOD Single : A 34 HIS : no HD1:sc= -15.9! C(o=-16!,f=-14!) USER MOD Single : A 39 ASN : amide:sc= -3.83! C(o=-3.8!,f=-3.2!) USER MOD Single : A 47 THR OG1 : rot 88:sc= -0.449 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.507 K(o=-0.51,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0556 USER MOD Single : A 73 GLN : amide:sc= -0.0233 K(o=-0.023,f=-0.76) USER MOD ----------------------------------------------------------------- ATOM 362 N VAL A 26 7.028 2.844 -1.152 1.00 0.00 N ATOM 363 CA VAL A 26 6.972 4.301 -1.150 1.00 0.00 C ATOM 364 C VAL A 26 5.583 4.791 -0.752 1.00 0.00 C ATOM 365 O VAL A 26 5.443 5.708 0.056 1.00 0.00 O ATOM 366 CB VAL A 26 7.362 4.888 -2.526 1.00 0.00 C ATOM 367 CG1 VAL A 26 6.174 4.921 -3.479 1.00 0.00 C ATOM 368 CG2 VAL A 26 7.958 6.277 -2.360 1.00 0.00 C ATOM 0 HA VAL A 26 7.696 4.650 -0.413 1.00 0.00 H new ATOM 0 HB VAL A 26 8.115 4.234 -2.966 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.486 5.340 -4.436 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.801 3.908 -3.631 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.383 5.539 -3.053 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.227 6.677 -3.338 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.226 6.933 -1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.848 6.218 -1.734 1.00 0.00 H new ATOM 378 N LEU A 27 4.559 4.168 -1.328 1.00 0.00 N ATOM 379 CA LEU A 27 3.180 4.532 -1.036 1.00 0.00 C ATOM 380 C LEU A 27 2.896 4.420 0.458 1.00 0.00 C ATOM 381 O LEU A 27 2.345 5.340 1.060 1.00 0.00 O ATOM 382 CB LEU A 27 2.220 3.636 -1.819 1.00 0.00 C ATOM 383 CG LEU A 27 2.410 3.653 -3.335 1.00 0.00 C ATOM 384 CD1 LEU A 27 1.505 2.626 -3.997 1.00 0.00 C ATOM 385 CD2 LEU A 27 2.143 5.045 -3.893 1.00 0.00 C ATOM 0 H LEU A 27 4.661 3.408 -2.000 1.00 0.00 H new ATOM 0 HA LEU A 27 3.028 5.568 -1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.334 2.611 -1.465 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.198 3.940 -1.593 1.00 0.00 H new ATOM 0 HG LEU A 27 3.445 3.390 -3.555 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.654 2.652 -5.076 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.747 1.632 -3.621 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.465 2.857 -3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.283 5.037 -4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.119 5.339 -3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.835 5.756 -3.443 1.00 0.00 H new ATOM 397 N GLY A 28 3.274 3.287 1.049 1.00 0.00 N ATOM 398 CA GLY A 28 3.044 3.073 2.467 1.00 0.00 C ATOM 399 C GLY A 28 3.758 4.089 3.337 1.00 0.00 C ATOM 400 O GLY A 28 3.167 4.639 4.266 1.00 0.00 O ATOM 0 H GLY A 28 3.736 2.514 0.569 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.974 3.118 2.668 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.378 2.071 2.738 1.00 0.00 H new ATOM 404 N GLU A 29 5.027 4.349 3.035 1.00 0.00 N ATOM 405 CA GLU A 29 5.806 5.315 3.805 1.00 0.00 C ATOM 406 C GLU A 29 5.119 6.676 3.787 1.00 0.00 C ATOM 407 O GLU A 29 4.827 7.249 4.836 1.00 0.00 O ATOM 408 CB GLU A 29 7.222 5.433 3.237 1.00 0.00 C ATOM 409 CG GLU A 29 7.988 4.120 3.233 1.00 0.00 C ATOM 410 CD GLU A 29 9.163 4.124 4.191 1.00 0.00 C ATOM 411 OE1 GLU A 29 8.930 4.207 5.416 1.00 0.00 O ATOM 412 OE2 GLU A 29 10.316 4.042 3.718 1.00 0.00 O ATOM 0 H GLU A 29 5.535 3.908 2.268 1.00 0.00 H new ATOM 0 HA GLU A 29 5.872 4.966 4.835 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.165 5.814 2.217 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.778 6.167 3.820 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.311 3.308 3.499 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.348 3.917 2.224 1.00 0.00 H new ATOM 419 N ARG A 30 4.862 7.180 2.587 1.00 0.00 N ATOM 420 CA ARG A 30 4.201 8.468 2.423 1.00 0.00 C ATOM 421 C ARG A 30 2.744 8.400 2.876 1.00 0.00 C ATOM 422 O ARG A 30 2.088 9.429 3.041 1.00 0.00 O ATOM 423 CB ARG A 30 4.267 8.911 0.962 1.00 0.00 C ATOM 424 CG ARG A 30 5.684 9.073 0.438 1.00 0.00 C ATOM 425 CD ARG A 30 6.376 10.272 1.067 1.00 0.00 C ATOM 426 NE ARG A 30 6.282 11.463 0.224 1.00 0.00 N ATOM 427 CZ ARG A 30 7.116 11.731 -0.779 1.00 0.00 C ATOM 428 NH1 ARG A 30 8.095 10.888 -1.081 1.00 0.00 N ATOM 429 NH2 ARG A 30 6.964 12.842 -1.487 1.00 0.00 N ATOM 0 H ARG A 30 5.102 6.715 1.711 1.00 0.00 H new ATOM 0 HA ARG A 30 4.722 9.195 3.046 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.742 8.181 0.346 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.738 9.858 0.854 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.256 8.169 0.648 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.661 9.191 -0.645 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.929 10.480 2.039 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.425 10.034 1.243 1.00 0.00 H new ATOM 0 HE ARG A 30 5.533 12.128 0.416 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.212 10.029 -0.544 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.730 11.099 -1.850 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.209 13.490 -1.263 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.602 13.048 -2.255 1.00 0.00 H new ATOM 443 N LEU A 31 2.238 7.181 3.071 1.00 0.00 N ATOM 444 CA LEU A 31 0.858 6.984 3.496 1.00 0.00 C ATOM 445 C LEU A 31 0.699 7.276 4.984 1.00 0.00 C ATOM 446 O LEU A 31 -0.050 8.165 5.383 1.00 0.00 O ATOM 447 CB LEU A 31 0.433 5.545 3.211 1.00 0.00 C ATOM 448 CG LEU A 31 -0.828 5.389 2.364 1.00 0.00 C ATOM 449 CD1 LEU A 31 -0.510 4.674 1.061 1.00 0.00 C ATOM 450 CD2 LEU A 31 -1.902 4.642 3.141 1.00 0.00 C ATOM 0 H LEU A 31 2.766 6.318 2.941 1.00 0.00 H new ATOM 0 HA LEU A 31 0.225 7.674 2.938 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.254 5.035 2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.277 5.035 4.162 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.208 6.382 2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.420 4.572 0.470 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.224 5.251 0.499 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.105 3.685 1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.794 4.540 2.523 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.533 3.653 3.412 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.150 5.198 4.045 1.00 0.00 H new ATOM 462 N TYR A 32 1.410 6.508 5.796 1.00 0.00 N ATOM 463 CA TYR A 32 1.362 6.653 7.245 1.00 0.00 C ATOM 464 C TYR A 32 1.557 8.108 7.667 1.00 0.00 C ATOM 465 O TYR A 32 1.006 8.546 8.672 1.00 0.00 O ATOM 466 CB TYR A 32 2.446 5.760 7.868 1.00 0.00 C ATOM 467 CG TYR A 32 2.318 5.546 9.359 1.00 0.00 C ATOM 468 CD1 TYR A 32 2.741 6.516 10.257 1.00 0.00 C ATOM 469 CD2 TYR A 32 1.789 4.366 9.869 1.00 0.00 C ATOM 470 CE1 TYR A 32 2.643 6.319 11.621 1.00 0.00 C ATOM 471 CE2 TYR A 32 1.684 4.161 11.231 1.00 0.00 C ATOM 472 CZ TYR A 32 2.112 5.139 12.103 1.00 0.00 C ATOM 473 OH TYR A 32 2.015 4.938 13.459 1.00 0.00 O ATOM 0 H TYR A 32 2.034 5.769 5.472 1.00 0.00 H new ATOM 0 HA TYR A 32 0.379 6.344 7.600 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.424 4.789 7.374 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.421 6.201 7.662 1.00 0.00 H new ATOM 0 HD1 TYR A 32 3.154 7.441 9.883 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.454 3.597 9.189 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.980 7.083 12.306 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.269 3.239 11.611 1.00 0.00 H new ATOM 0 HH TYR A 32 1.619 4.058 13.632 1.00 0.00 H new ATOM 483 N ASN A 33 2.350 8.845 6.898 1.00 0.00 N ATOM 484 CA ASN A 33 2.626 10.249 7.197 1.00 0.00 C ATOM 485 C ASN A 33 1.396 11.123 7.007 1.00 0.00 C ATOM 486 O ASN A 33 1.165 12.058 7.776 1.00 0.00 O ATOM 487 CB ASN A 33 3.759 10.759 6.300 1.00 0.00 C ATOM 488 CG ASN A 33 3.931 12.265 6.363 1.00 0.00 C ATOM 489 OD1 ASN A 33 4.913 12.763 6.915 1.00 0.00 O ATOM 490 ND2 ASN A 33 2.973 13.002 5.800 1.00 0.00 N ATOM 0 H ASN A 33 2.815 8.495 6.061 1.00 0.00 H new ATOM 0 HA ASN A 33 2.922 10.310 8.244 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.692 10.279 6.595 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.560 10.464 5.270 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.037 14.020 5.816 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.176 12.548 5.353 1.00 0.00 H new ATOM 497 N HIS A 34 0.621 10.845 5.974 1.00 0.00 N ATOM 498 CA HIS A 34 -0.560 11.640 5.698 1.00 0.00 C ATOM 499 C HIS A 34 -1.549 11.541 6.851 1.00 0.00 C ATOM 500 O HIS A 34 -2.202 12.515 7.219 1.00 0.00 O ATOM 501 CB HIS A 34 -1.221 11.182 4.391 1.00 0.00 C ATOM 502 CG HIS A 34 -1.965 9.883 4.484 1.00 0.00 C ATOM 503 ND1 HIS A 34 -1.746 8.812 3.643 1.00 0.00 N ATOM 504 CD2 HIS A 34 -2.943 9.498 5.323 1.00 0.00 C ATOM 505 CE1 HIS A 34 -2.561 7.823 3.978 1.00 0.00 C ATOM 506 NE2 HIS A 34 -3.298 8.218 4.994 1.00 0.00 N ATOM 0 H HIS A 34 0.787 10.082 5.318 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.256 12.681 5.588 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.912 11.957 4.059 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.452 11.090 3.624 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.372 10.093 6.116 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.612 6.857 3.499 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -4.015 7.662 5.459 1.00 0.00 H new ATOM 515 N ILE A 35 -1.669 10.335 7.381 1.00 0.00 N ATOM 516 CA ILE A 35 -2.602 10.045 8.469 1.00 0.00 C ATOM 517 C ILE A 35 -1.953 10.081 9.859 1.00 0.00 C ATOM 518 O ILE A 35 -2.642 10.322 10.845 1.00 0.00 O ATOM 519 CB ILE A 35 -3.288 8.673 8.260 1.00 0.00 C ATOM 520 CG1 ILE A 35 -4.096 8.268 9.499 1.00 0.00 C ATOM 521 CG2 ILE A 35 -2.258 7.607 7.917 1.00 0.00 C ATOM 522 CD1 ILE A 35 -5.155 7.224 9.211 1.00 0.00 C ATOM 0 H ILE A 35 -1.126 9.528 7.074 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.344 10.843 8.437 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.980 8.765 7.423 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.415 7.884 10.258 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.574 9.154 9.918 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.759 6.650 7.774 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.738 7.885 7.000 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.538 7.521 8.731 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.689 6.984 10.131 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.858 7.613 8.474 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.681 6.323 8.820 1.00 0.00 H new ATOM 534 N VAL A 36 -0.651 9.820 9.964 1.00 0.00 N ATOM 535 CA VAL A 36 -0.005 9.816 11.279 1.00 0.00 C ATOM 536 C VAL A 36 -0.338 11.087 12.061 1.00 0.00 C ATOM 537 O VAL A 36 -0.782 11.021 13.205 1.00 0.00 O ATOM 538 CB VAL A 36 1.532 9.656 11.206 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.168 10.797 10.431 1.00 0.00 C ATOM 540 CG2 VAL A 36 2.119 9.573 12.608 1.00 0.00 C ATOM 0 H VAL A 36 -0.035 9.613 9.178 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.405 8.944 11.796 1.00 0.00 H new ATOM 0 HB VAL A 36 1.751 8.729 10.676 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.248 10.656 10.397 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.772 10.812 9.416 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.941 11.743 10.923 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.201 9.461 12.543 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.881 10.484 13.157 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.696 8.715 13.129 1.00 0.00 H new ATOM 550 N ALA A 37 -0.124 12.240 11.437 1.00 0.00 N ATOM 551 CA ALA A 37 -0.409 13.517 12.079 1.00 0.00 C ATOM 552 C ALA A 37 -1.913 13.726 12.221 1.00 0.00 C ATOM 553 O ALA A 37 -2.372 14.444 13.109 1.00 0.00 O ATOM 554 CB ALA A 37 0.205 14.657 11.281 1.00 0.00 C ATOM 0 H ALA A 37 0.245 12.316 10.489 1.00 0.00 H new ATOM 0 HA ALA A 37 0.033 13.505 13.075 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -0.016 15.605 11.772 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.285 14.521 11.224 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.214 14.663 10.275 1.00 0.00 H new ATOM 560 N ILE A 38 -2.671 13.103 11.326 1.00 0.00 N ATOM 561 CA ILE A 38 -4.127 13.233 11.335 1.00 0.00 C ATOM 562 C ILE A 38 -4.796 12.220 12.268 1.00 0.00 C ATOM 563 O ILE A 38 -5.380 12.597 13.284 1.00 0.00 O ATOM 564 CB ILE A 38 -4.701 13.086 9.914 1.00 0.00 C ATOM 565 CG1 ILE A 38 -3.881 13.935 8.941 1.00 0.00 C ATOM 566 CG2 ILE A 38 -6.166 13.497 9.887 1.00 0.00 C ATOM 567 CD1 ILE A 38 -3.854 15.403 9.299 1.00 0.00 C ATOM 0 H ILE A 38 -2.305 12.504 10.586 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.347 14.232 11.712 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.640 12.041 9.609 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.859 13.557 8.913 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.291 13.821 7.937 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.556 13.387 8.875 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.735 12.862 10.566 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.258 14.537 10.200 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.255 15.945 8.567 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.871 15.796 9.299 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.417 15.528 10.290 1.00 0.00 H new ATOM 579 N ASN A 39 -4.699 10.939 11.931 1.00 0.00 N ATOM 580 CA ASN A 39 -5.286 9.883 12.755 1.00 0.00 C ATOM 581 C ASN A 39 -4.226 8.866 13.172 1.00 0.00 C ATOM 582 O ASN A 39 -4.116 7.790 12.581 1.00 0.00 O ATOM 583 CB ASN A 39 -6.425 9.188 12.008 1.00 0.00 C ATOM 584 CG ASN A 39 -7.702 9.128 12.826 1.00 0.00 C ATOM 585 OD1 ASN A 39 -8.771 9.530 12.364 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.598 8.626 14.052 1.00 0.00 N ATOM 0 H ASN A 39 -4.221 10.604 11.095 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.692 10.344 13.656 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.619 9.716 11.075 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.118 8.176 11.744 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.423 8.563 14.649 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.693 8.304 14.396 1.00 0.00 H new ATOM 593 N PRO A 40 -3.424 9.196 14.200 1.00 0.00 N ATOM 594 CA PRO A 40 -2.365 8.310 14.695 1.00 0.00 C ATOM 595 C PRO A 40 -2.873 6.909 15.017 1.00 0.00 C ATOM 596 O PRO A 40 -2.128 5.934 14.928 1.00 0.00 O ATOM 597 CB PRO A 40 -1.881 9.002 15.971 1.00 0.00 C ATOM 598 CG PRO A 40 -2.241 10.437 15.796 1.00 0.00 C ATOM 599 CD PRO A 40 -3.487 10.461 14.954 1.00 0.00 C ATOM 0 HA PRO A 40 -1.585 8.165 13.948 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.361 8.580 16.854 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.806 8.879 16.103 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.414 10.915 16.760 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.433 10.984 15.310 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.385 10.516 15.569 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.504 11.324 14.288 1.00 0.00 H new ATOM 607 N ALA A 41 -4.141 6.814 15.401 1.00 0.00 N ATOM 608 CA ALA A 41 -4.739 5.527 15.744 1.00 0.00 C ATOM 609 C ALA A 41 -5.427 4.898 14.537 1.00 0.00 C ATOM 610 O ALA A 41 -6.532 4.366 14.649 1.00 0.00 O ATOM 611 CB ALA A 41 -5.723 5.695 16.890 1.00 0.00 C ATOM 0 H ALA A 41 -4.774 7.610 15.483 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.941 4.855 16.060 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.163 4.729 17.137 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.202 6.090 17.762 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.511 6.387 16.594 1.00 0.00 H new ATOM 617 N ALA A 42 -4.763 4.955 13.389 1.00 0.00 N ATOM 618 CA ALA A 42 -5.306 4.385 12.162 1.00 0.00 C ATOM 619 C ALA A 42 -4.198 4.121 11.152 1.00 0.00 C ATOM 620 O ALA A 42 -4.209 3.099 10.471 1.00 0.00 O ATOM 621 CB ALA A 42 -6.362 5.302 11.567 1.00 0.00 C ATOM 0 H ALA A 42 -3.847 5.391 13.282 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.776 3.433 12.409 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.755 4.859 10.652 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.173 5.436 12.283 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.916 6.270 11.339 1.00 0.00 H new ATOM 627 N ALA A 43 -3.243 5.051 11.064 1.00 0.00 N ATOM 628 CA ALA A 43 -2.121 4.914 10.137 1.00 0.00 C ATOM 629 C ALA A 43 -1.625 3.472 10.101 1.00 0.00 C ATOM 630 O ALA A 43 -1.496 2.873 9.034 1.00 0.00 O ATOM 631 CB ALA A 43 -0.990 5.851 10.533 1.00 0.00 C ATOM 0 H ALA A 43 -3.226 5.904 11.623 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.466 5.184 9.139 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.162 5.738 9.834 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.346 6.881 10.510 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.651 5.607 11.540 1.00 0.00 H new ATOM 637 N ALA A 44 -1.352 2.922 11.280 1.00 0.00 N ATOM 638 CA ALA A 44 -0.877 1.551 11.392 1.00 0.00 C ATOM 639 C ALA A 44 -1.784 0.585 10.633 1.00 0.00 C ATOM 640 O ALA A 44 -1.318 -0.395 10.054 1.00 0.00 O ATOM 641 CB ALA A 44 -0.782 1.147 12.856 1.00 0.00 C ATOM 0 H ALA A 44 -1.452 3.407 12.172 1.00 0.00 H new ATOM 0 HA ALA A 44 0.115 1.500 10.943 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.426 0.119 12.927 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.086 1.809 13.372 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.766 1.223 13.319 1.00 0.00 H new ATOM 647 N LYS A 45 -3.081 0.875 10.639 1.00 0.00 N ATOM 648 CA LYS A 45 -4.060 0.039 9.952 1.00 0.00 C ATOM 649 C LYS A 45 -4.209 0.461 8.496 1.00 0.00 C ATOM 650 O LYS A 45 -4.187 -0.372 7.591 1.00 0.00 O ATOM 651 CB LYS A 45 -5.416 0.131 10.654 1.00 0.00 C ATOM 652 CG LYS A 45 -5.522 -0.749 11.886 1.00 0.00 C ATOM 653 CD LYS A 45 -5.899 -2.173 11.512 1.00 0.00 C ATOM 654 CE LYS A 45 -4.678 -3.072 11.425 1.00 0.00 C ATOM 655 NZ LYS A 45 -5.049 -4.479 11.113 1.00 0.00 N ATOM 0 H LYS A 45 -3.480 1.685 11.113 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.705 -0.991 9.982 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.598 1.167 10.941 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.200 -0.148 9.950 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.571 -0.750 12.419 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.268 -0.339 12.566 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.593 -2.572 12.252 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.420 -2.172 10.554 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.003 -2.695 10.657 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -4.135 -3.040 12.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.625 -5.114 11.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.084 -4.578 11.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.698 -4.729 10.167 1.00 0.00 H new ATOM 669 N VAL A 46 -4.352 1.761 8.281 1.00 0.00 N ATOM 670 CA VAL A 46 -4.501 2.303 6.938 1.00 0.00 C ATOM 671 C VAL A 46 -3.294 1.960 6.074 1.00 0.00 C ATOM 672 O VAL A 46 -3.437 1.488 4.949 1.00 0.00 O ATOM 673 CB VAL A 46 -4.665 3.837 6.979 1.00 0.00 C ATOM 674 CG1 VAL A 46 -4.623 4.423 5.575 1.00 0.00 C ATOM 675 CG2 VAL A 46 -5.957 4.217 7.682 1.00 0.00 C ATOM 0 H VAL A 46 -4.368 2.462 9.022 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.395 1.853 6.505 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.832 4.254 7.544 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.741 5.505 5.629 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.667 4.185 5.110 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.432 3.999 4.980 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.055 5.302 7.701 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.803 3.786 7.147 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.941 3.836 8.703 1.00 0.00 H new ATOM 685 N THR A 47 -2.111 2.224 6.611 1.00 0.00 N ATOM 686 CA THR A 47 -0.862 1.973 5.904 1.00 0.00 C ATOM 687 C THR A 47 -0.647 0.482 5.638 1.00 0.00 C ATOM 688 O THR A 47 -0.347 0.084 4.512 1.00 0.00 O ATOM 689 CB THR A 47 0.308 2.534 6.721 1.00 0.00 C ATOM 690 OG1 THR A 47 0.241 3.948 6.780 1.00 0.00 O ATOM 691 CG2 THR A 47 1.667 2.164 6.168 1.00 0.00 C ATOM 0 H THR A 47 -1.990 2.616 7.545 1.00 0.00 H new ATOM 0 HA THR A 47 -0.915 2.473 4.937 1.00 0.00 H new ATOM 0 HB THR A 47 0.207 2.087 7.710 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.316 4.218 7.540 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.446 2.595 6.797 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.771 1.079 6.154 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.765 2.551 5.154 1.00 0.00 H new ATOM 699 N GLY A 48 -0.770 -0.327 6.681 1.00 0.00 N ATOM 700 CA GLY A 48 -0.551 -1.756 6.543 1.00 0.00 C ATOM 701 C GLY A 48 -1.650 -2.454 5.777 1.00 0.00 C ATOM 702 O GLY A 48 -1.388 -3.124 4.778 1.00 0.00 O ATOM 0 H GLY A 48 -1.018 -0.021 7.622 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.400 -1.924 6.037 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.468 -2.202 7.534 1.00 0.00 H new ATOM 706 N MET A 49 -2.881 -2.295 6.238 1.00 0.00 N ATOM 707 CA MET A 49 -4.012 -2.919 5.574 1.00 0.00 C ATOM 708 C MET A 49 -4.275 -2.249 4.233 1.00 0.00 C ATOM 709 O MET A 49 -4.378 -2.924 3.215 1.00 0.00 O ATOM 710 CB MET A 49 -5.263 -2.856 6.455 1.00 0.00 C ATOM 711 CG MET A 49 -5.106 -3.562 7.794 1.00 0.00 C ATOM 712 SD MET A 49 -4.483 -5.248 7.631 1.00 0.00 S ATOM 713 CE MET A 49 -2.807 -5.048 8.224 1.00 0.00 C ATOM 0 H MET A 49 -3.120 -1.744 7.062 1.00 0.00 H new ATOM 0 HA MET A 49 -3.769 -3.967 5.400 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.519 -1.811 6.633 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.099 -3.301 5.916 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.426 -2.988 8.424 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.070 -3.584 8.303 1.00 0.00 H new ATOM 0 HE1 MET A 49 -2.427 -6.009 8.571 1.00 0.00 H new ATOM 0 HE2 MET A 49 -2.177 -4.679 7.415 1.00 0.00 H new ATOM 0 HE3 MET A 49 -2.795 -4.334 9.048 1.00 0.00 H new ATOM 723 N LEU A 50 -4.387 -0.915 4.260 1.00 0.00 N ATOM 724 CA LEU A 50 -4.653 -0.103 3.060 1.00 0.00 C ATOM 725 C LEU A 50 -5.458 -0.850 1.993 1.00 0.00 C ATOM 726 O LEU A 50 -6.593 -0.484 1.689 1.00 0.00 O ATOM 727 CB LEU A 50 -3.346 0.388 2.439 1.00 0.00 C ATOM 728 CG LEU A 50 -3.498 1.590 1.503 1.00 0.00 C ATOM 729 CD1 LEU A 50 -4.197 2.744 2.216 1.00 0.00 C ATOM 730 CD2 LEU A 50 -2.141 2.026 0.972 1.00 0.00 C ATOM 0 H LEU A 50 -4.296 -0.365 5.114 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.253 0.741 3.400 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.655 0.653 3.240 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.892 -0.433 1.884 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.117 1.291 0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.295 3.588 1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.187 2.424 2.542 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.609 3.045 3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.268 2.881 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.497 2.306 1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.685 1.204 0.421 1.00 0.00 H new ATOM 742 N LEU A 51 -4.856 -1.887 1.425 1.00 0.00 N ATOM 743 CA LEU A 51 -5.497 -2.681 0.386 1.00 0.00 C ATOM 744 C LEU A 51 -6.671 -3.480 0.939 1.00 0.00 C ATOM 745 O LEU A 51 -6.632 -4.711 0.989 1.00 0.00 O ATOM 746 CB LEU A 51 -4.468 -3.610 -0.264 1.00 0.00 C ATOM 747 CG LEU A 51 -3.254 -2.891 -0.866 1.00 0.00 C ATOM 748 CD1 LEU A 51 -1.956 -3.437 -0.286 1.00 0.00 C ATOM 749 CD2 LEU A 51 -3.256 -3.014 -2.383 1.00 0.00 C ATOM 0 H LEU A 51 -3.916 -2.199 1.670 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.893 -2.002 -0.369 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.119 -4.324 0.482 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.960 -4.185 -1.049 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.323 -1.835 -0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.110 -2.911 -0.729 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.950 -3.290 0.794 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.878 -4.501 -0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.387 -2.498 -2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.217 -4.067 -2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.165 -2.566 -2.783 1.00 0.00 H new ATOM 761 N GLU A 52 -7.728 -2.771 1.335 1.00 0.00 N ATOM 762 CA GLU A 52 -8.924 -3.409 1.868 1.00 0.00 C ATOM 763 C GLU A 52 -9.907 -3.710 0.738 1.00 0.00 C ATOM 764 O GLU A 52 -9.615 -3.461 -0.432 1.00 0.00 O ATOM 765 CB GLU A 52 -9.599 -2.515 2.917 1.00 0.00 C ATOM 766 CG GLU A 52 -8.629 -1.717 3.777 1.00 0.00 C ATOM 767 CD GLU A 52 -8.321 -2.397 5.095 1.00 0.00 C ATOM 768 OE1 GLU A 52 -8.489 -3.631 5.180 1.00 0.00 O ATOM 769 OE2 GLU A 52 -7.909 -1.695 6.044 1.00 0.00 O ATOM 0 H GLU A 52 -7.777 -1.753 1.295 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.627 -4.342 2.346 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.271 -1.823 2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.214 -3.138 3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.701 -1.565 3.226 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.049 -0.730 3.971 1.00 0.00 H new ATOM 776 N MET A 53 -11.063 -4.259 1.090 1.00 0.00 N ATOM 777 CA MET A 53 -12.069 -4.603 0.088 1.00 0.00 C ATOM 778 C MET A 53 -12.711 -3.356 -0.518 1.00 0.00 C ATOM 779 O MET A 53 -12.595 -3.112 -1.721 1.00 0.00 O ATOM 780 CB MET A 53 -13.150 -5.487 0.713 1.00 0.00 C ATOM 781 CG MET A 53 -12.797 -6.964 0.713 1.00 0.00 C ATOM 782 SD MET A 53 -12.891 -7.698 -0.930 1.00 0.00 S ATOM 783 CE MET A 53 -14.634 -8.089 -1.023 1.00 0.00 C ATOM 0 H MET A 53 -11.327 -4.475 2.051 1.00 0.00 H new ATOM 0 HA MET A 53 -11.566 -5.146 -0.712 1.00 0.00 H new ATOM 0 HB2 MET A 53 -13.325 -5.163 1.739 1.00 0.00 H new ATOM 0 HB3 MET A 53 -14.084 -5.344 0.170 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.789 -7.093 1.108 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.472 -7.495 1.384 1.00 0.00 H new ATOM 0 HE1 MET A 53 -14.852 -8.552 -1.985 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.895 -8.779 -0.221 1.00 0.00 H new ATOM 0 HE3 MET A 53 -15.218 -7.175 -0.919 1.00 0.00 H new ATOM 793 N ASP A 54 -13.373 -2.561 0.315 1.00 0.00 N ATOM 794 CA ASP A 54 -14.021 -1.344 -0.156 1.00 0.00 C ATOM 795 C ASP A 54 -13.070 -0.157 -0.057 1.00 0.00 C ATOM 796 O ASP A 54 -12.572 0.335 -1.069 1.00 0.00 O ATOM 797 CB ASP A 54 -15.309 -1.078 0.622 1.00 0.00 C ATOM 798 CG ASP A 54 -15.141 -1.176 2.128 1.00 0.00 C ATOM 799 OD1 ASP A 54 -14.271 -1.946 2.585 1.00 0.00 O ATOM 800 OD2 ASP A 54 -15.884 -0.479 2.852 1.00 0.00 O ATOM 0 H ASP A 54 -13.475 -2.736 1.315 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.285 -1.481 -1.205 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.677 -0.083 0.370 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -16.070 -1.790 0.303 1.00 0.00 H new ATOM 805 N ASN A 55 -12.815 0.294 1.164 1.00 0.00 N ATOM 806 CA ASN A 55 -11.915 1.415 1.396 1.00 0.00 C ATOM 807 C ASN A 55 -10.592 1.213 0.654 1.00 0.00 C ATOM 808 O ASN A 55 -9.901 2.180 0.327 1.00 0.00 O ATOM 809 CB ASN A 55 -11.670 1.557 2.898 1.00 0.00 C ATOM 810 CG ASN A 55 -10.617 2.593 3.227 1.00 0.00 C ATOM 811 OD1 ASN A 55 -10.743 3.755 2.851 1.00 0.00 O ATOM 812 ND2 ASN A 55 -9.574 2.169 3.931 1.00 0.00 N ATOM 0 H ASN A 55 -13.221 -0.101 2.012 1.00 0.00 H new ATOM 0 HA ASN A 55 -12.374 2.327 1.014 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.605 1.827 3.390 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -11.363 0.593 3.304 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.830 2.820 4.183 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.516 1.192 4.220 1.00 0.00 H new ATOM 819 N GLY A 56 -10.246 -0.045 0.389 1.00 0.00 N ATOM 820 CA GLY A 56 -9.013 -0.351 -0.310 1.00 0.00 C ATOM 821 C GLY A 56 -9.034 0.095 -1.760 1.00 0.00 C ATOM 822 O GLY A 56 -8.223 0.923 -2.170 1.00 0.00 O ATOM 0 H GLY A 56 -10.802 -0.860 0.648 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.181 0.132 0.202 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.833 -1.425 -0.267 1.00 0.00 H new ATOM 826 N GLU A 57 -9.952 -0.469 -2.548 1.00 0.00 N ATOM 827 CA GLU A 57 -10.058 -0.125 -3.968 1.00 0.00 C ATOM 828 C GLU A 57 -9.762 1.352 -4.215 1.00 0.00 C ATOM 829 O GLU A 57 -8.928 1.697 -5.052 1.00 0.00 O ATOM 830 CB GLU A 57 -11.453 -0.447 -4.495 1.00 0.00 C ATOM 831 CG GLU A 57 -11.843 -1.910 -4.353 1.00 0.00 C ATOM 832 CD GLU A 57 -11.554 -2.720 -5.602 1.00 0.00 C ATOM 833 OE1 GLU A 57 -10.937 -2.168 -6.539 1.00 0.00 O ATOM 834 OE2 GLU A 57 -11.945 -3.905 -5.644 1.00 0.00 O ATOM 0 H GLU A 57 -10.629 -1.162 -2.229 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.316 -0.722 -4.497 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.182 0.166 -3.965 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.507 -0.167 -5.547 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.304 -2.345 -3.511 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.906 -1.977 -4.120 1.00 0.00 H new ATOM 841 N ILE A 58 -10.450 2.218 -3.479 1.00 0.00 N ATOM 842 CA ILE A 58 -10.261 3.658 -3.612 1.00 0.00 C ATOM 843 C ILE A 58 -8.792 4.024 -3.420 1.00 0.00 C ATOM 844 O ILE A 58 -8.239 4.827 -4.171 1.00 0.00 O ATOM 845 CB ILE A 58 -11.126 4.426 -2.589 1.00 0.00 C ATOM 846 CG1 ILE A 58 -12.610 4.191 -2.870 1.00 0.00 C ATOM 847 CG2 ILE A 58 -10.809 5.918 -2.617 1.00 0.00 C ATOM 848 CD1 ILE A 58 -13.180 2.988 -2.150 1.00 0.00 C ATOM 0 H ILE A 58 -11.145 1.947 -2.783 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.573 3.944 -4.617 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.892 4.049 -1.593 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -13.171 5.078 -2.578 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.752 4.063 -3.943 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -11.432 6.436 -1.888 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.758 6.071 -2.371 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -11.010 6.314 -3.612 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.237 2.883 -2.397 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.644 2.091 -2.460 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -13.070 3.122 -1.074 1.00 0.00 H new ATOM 860 N LEU A 59 -8.174 3.422 -2.406 1.00 0.00 N ATOM 861 CA LEU A 59 -6.770 3.660 -2.089 1.00 0.00 C ATOM 862 C LEU A 59 -5.934 3.842 -3.353 1.00 0.00 C ATOM 863 O LEU A 59 -5.011 4.655 -3.394 1.00 0.00 O ATOM 864 CB LEU A 59 -6.221 2.488 -1.269 1.00 0.00 C ATOM 865 CG LEU A 59 -5.579 1.359 -2.086 1.00 0.00 C ATOM 866 CD1 LEU A 59 -4.159 1.733 -2.489 1.00 0.00 C ATOM 867 CD2 LEU A 59 -5.578 0.062 -1.298 1.00 0.00 C ATOM 0 H LEU A 59 -8.632 2.757 -1.783 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.706 4.580 -1.508 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.481 2.872 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.034 2.068 -0.677 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.170 1.213 -2.990 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.719 0.921 -3.068 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.179 2.640 -3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.561 1.907 -1.595 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.119 -0.726 -1.895 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.011 0.196 -0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.603 -0.217 -1.056 1.00 0.00 H new ATOM 879 N ASN A 60 -6.263 3.062 -4.375 1.00 0.00 N ATOM 880 CA ASN A 60 -5.547 3.112 -5.647 1.00 0.00 C ATOM 881 C ASN A 60 -5.314 4.550 -6.113 1.00 0.00 C ATOM 882 O ASN A 60 -4.359 4.825 -6.839 1.00 0.00 O ATOM 883 CB ASN A 60 -6.317 2.336 -6.717 1.00 0.00 C ATOM 884 CG ASN A 60 -5.566 2.257 -8.032 1.00 0.00 C ATOM 885 OD1 ASN A 60 -6.145 2.435 -9.102 1.00 0.00 O ATOM 886 ND2 ASN A 60 -4.267 1.986 -7.955 1.00 0.00 N ATOM 0 H ASN A 60 -7.024 2.384 -4.349 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.572 2.650 -5.493 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.517 1.327 -6.356 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.283 2.813 -6.882 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.709 1.918 -8.806 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.828 1.846 -7.045 1.00 0.00 H new ATOM 893 N LEU A 61 -6.186 5.463 -5.694 1.00 0.00 N ATOM 894 CA LEU A 61 -6.060 6.866 -6.078 1.00 0.00 C ATOM 895 C LEU A 61 -5.626 7.731 -4.897 1.00 0.00 C ATOM 896 O LEU A 61 -6.289 8.713 -4.564 1.00 0.00 O ATOM 897 CB LEU A 61 -7.390 7.382 -6.634 1.00 0.00 C ATOM 898 CG LEU A 61 -8.122 6.422 -7.576 1.00 0.00 C ATOM 899 CD1 LEU A 61 -9.594 6.321 -7.204 1.00 0.00 C ATOM 900 CD2 LEU A 61 -7.968 6.876 -9.019 1.00 0.00 C ATOM 0 H LEU A 61 -6.983 5.258 -5.092 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.292 6.932 -6.849 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.048 7.616 -5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.205 8.316 -7.165 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.675 5.433 -7.473 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -10.095 5.634 -7.886 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.687 5.951 -6.183 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.056 7.306 -7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.494 6.184 -9.676 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.389 7.875 -9.133 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.911 6.895 -9.283 1.00 0.00 H new ATOM 912 N LEU A 62 -4.515 7.346 -4.261 1.00 0.00 N ATOM 913 CA LEU A 62 -3.977 8.067 -3.099 1.00 0.00 C ATOM 914 C LEU A 62 -4.330 9.558 -3.133 1.00 0.00 C ATOM 915 O LEU A 62 -3.611 10.369 -3.714 1.00 0.00 O ATOM 916 CB LEU A 62 -2.458 7.891 -3.032 1.00 0.00 C ATOM 917 CG LEU A 62 -1.980 6.448 -2.896 1.00 0.00 C ATOM 918 CD1 LEU A 62 -0.708 6.223 -3.699 1.00 0.00 C ATOM 919 CD2 LEU A 62 -1.764 6.088 -1.433 1.00 0.00 C ATOM 0 H LEU A 62 -3.965 6.531 -4.534 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.436 7.641 -2.207 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.018 8.320 -3.932 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.078 8.465 -2.187 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.755 5.794 -3.297 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.386 5.188 -3.587 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.900 6.432 -4.751 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.075 6.888 -3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.423 5.055 -1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.012 6.750 -1.003 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.701 6.201 -0.888 1.00 0.00 H new ATOM 931 N ASP A 63 -5.458 9.899 -2.508 1.00 0.00 N ATOM 932 CA ASP A 63 -5.935 11.281 -2.464 1.00 0.00 C ATOM 933 C ASP A 63 -5.894 11.836 -1.045 1.00 0.00 C ATOM 934 O ASP A 63 -5.853 11.085 -0.078 1.00 0.00 O ATOM 935 CB ASP A 63 -7.364 11.355 -3.010 1.00 0.00 C ATOM 936 CG ASP A 63 -7.538 12.429 -4.069 1.00 0.00 C ATOM 937 OD1 ASP A 63 -6.521 13.007 -4.505 1.00 0.00 O ATOM 938 OD2 ASP A 63 -8.695 12.689 -4.463 1.00 0.00 O ATOM 0 H ASP A 63 -6.060 9.233 -2.023 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.275 11.887 -3.084 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.636 10.388 -3.433 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.052 11.549 -2.187 1.00 0.00 H new ATOM 943 N THR A 64 -5.921 13.156 -0.919 1.00 0.00 N ATOM 944 CA THR A 64 -5.895 13.783 0.396 1.00 0.00 C ATOM 945 C THR A 64 -7.243 13.628 1.093 1.00 0.00 C ATOM 946 O THR A 64 -7.301 13.223 2.248 1.00 0.00 O ATOM 947 CB THR A 64 -5.523 15.261 0.293 1.00 0.00 C ATOM 948 OG1 THR A 64 -4.992 15.561 -0.986 1.00 0.00 O ATOM 949 CG2 THR A 64 -4.504 15.684 1.328 1.00 0.00 C ATOM 0 H THR A 64 -5.960 13.808 -1.702 1.00 0.00 H new ATOM 0 HA THR A 64 -5.133 13.279 0.990 1.00 0.00 H new ATOM 0 HB THR A 64 -6.449 15.809 0.467 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.762 16.513 -1.030 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.279 16.743 1.205 1.00 0.00 H new ATOM 0 HG22 THR A 64 -4.906 15.512 2.326 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.591 15.102 1.199 1.00 0.00 H new ATOM 957 N PRO A 65 -8.351 13.950 0.403 1.00 0.00 N ATOM 958 CA PRO A 65 -9.687 13.836 0.981 1.00 0.00 C ATOM 959 C PRO A 65 -10.190 12.394 1.028 1.00 0.00 C ATOM 960 O PRO A 65 -10.315 11.805 2.101 1.00 0.00 O ATOM 961 CB PRO A 65 -10.559 14.685 0.056 1.00 0.00 C ATOM 962 CG PRO A 65 -9.839 14.738 -1.253 1.00 0.00 C ATOM 963 CD PRO A 65 -8.382 14.445 -0.985 1.00 0.00 C ATOM 0 HA PRO A 65 -9.703 14.168 2.019 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.549 14.244 -0.061 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.702 15.686 0.464 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -10.255 14.009 -1.948 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.954 15.719 -1.714 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.993 13.701 -1.680 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.770 15.340 -1.101 1.00 0.00 H new ATOM 971 N GLY A 66 -10.489 11.834 -0.144 1.00 0.00 N ATOM 972 CA GLY A 66 -10.990 10.472 -0.224 1.00 0.00 C ATOM 973 C GLY A 66 -10.212 9.501 0.639 1.00 0.00 C ATOM 974 O GLY A 66 -10.783 8.830 1.500 1.00 0.00 O ATOM 0 H GLY A 66 -10.392 12.304 -1.044 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.037 10.458 0.078 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.953 10.138 -1.261 1.00 0.00 H new ATOM 978 N LEU A 67 -8.905 9.421 0.412 1.00 0.00 N ATOM 979 CA LEU A 67 -8.051 8.524 1.174 1.00 0.00 C ATOM 980 C LEU A 67 -8.191 8.794 2.668 1.00 0.00 C ATOM 981 O LEU A 67 -8.772 8.001 3.403 1.00 0.00 O ATOM 982 CB LEU A 67 -6.600 8.734 0.740 1.00 0.00 C ATOM 983 CG LEU A 67 -5.905 7.538 0.090 1.00 0.00 C ATOM 984 CD1 LEU A 67 -5.380 6.577 1.142 1.00 0.00 C ATOM 985 CD2 LEU A 67 -6.847 6.827 -0.871 1.00 0.00 C ATOM 0 H LEU A 67 -8.415 9.969 -0.296 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.350 7.493 0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.570 9.568 0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.021 9.031 1.615 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.053 7.910 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.890 5.735 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.663 7.093 1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.209 6.212 1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.333 5.979 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.723 6.473 -0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.161 7.520 -1.652 1.00 0.00 H new ATOM 997 N LEU A 68 -7.666 9.924 3.114 1.00 0.00 N ATOM 998 CA LEU A 68 -7.734 10.283 4.528 1.00 0.00 C ATOM 999 C LEU A 68 -9.148 10.142 5.087 1.00 0.00 C ATOM 1000 O LEU A 68 -9.323 9.893 6.277 1.00 0.00 O ATOM 1001 CB LEU A 68 -7.221 11.701 4.751 1.00 0.00 C ATOM 1002 CG LEU A 68 -5.728 11.796 5.058 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -4.920 11.868 3.772 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -5.440 12.997 5.943 1.00 0.00 C ATOM 0 H LEU A 68 -7.190 10.607 2.524 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.093 9.584 5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.434 12.294 3.862 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.777 12.149 5.574 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.430 10.896 5.597 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.859 11.935 4.012 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.101 10.972 3.178 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.220 12.748 3.203 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.371 13.048 6.151 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.754 13.908 5.434 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.988 12.898 6.880 1.00 0.00 H new ATOM 1016 N ASP A 69 -10.157 10.297 4.235 1.00 0.00 N ATOM 1017 CA ASP A 69 -11.535 10.175 4.693 1.00 0.00 C ATOM 1018 C ASP A 69 -11.925 8.710 4.859 1.00 0.00 C ATOM 1019 O ASP A 69 -12.263 8.273 5.953 1.00 0.00 O ATOM 1020 CB ASP A 69 -12.491 10.864 3.718 1.00 0.00 C ATOM 1021 CG ASP A 69 -13.852 11.123 4.338 1.00 0.00 C ATOM 1022 OD1 ASP A 69 -13.902 11.468 5.537 1.00 0.00 O ATOM 1023 OD2 ASP A 69 -14.867 10.981 3.623 1.00 0.00 O ATOM 0 H ASP A 69 -10.050 10.504 3.242 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.610 10.666 5.663 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.056 11.809 3.392 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.610 10.244 2.829 1.00 0.00 H new ATOM 1028 N ALA A 70 -11.876 7.951 3.772 1.00 0.00 N ATOM 1029 CA ALA A 70 -12.230 6.539 3.819 1.00 0.00 C ATOM 1030 C ALA A 70 -11.200 5.727 4.604 1.00 0.00 C ATOM 1031 O ALA A 70 -11.475 4.601 5.019 1.00 0.00 O ATOM 1032 CB ALA A 70 -12.374 5.985 2.410 1.00 0.00 C ATOM 0 H ALA A 70 -11.596 8.288 2.851 1.00 0.00 H new ATOM 0 HA ALA A 70 -13.186 6.453 4.336 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.639 4.929 2.460 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -13.156 6.531 1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -11.430 6.098 1.876 1.00 0.00 H new ATOM 1038 N LYS A 71 -10.011 6.291 4.788 1.00 0.00 N ATOM 1039 CA LYS A 71 -8.940 5.604 5.502 1.00 0.00 C ATOM 1040 C LYS A 71 -9.113 5.690 7.023 1.00 0.00 C ATOM 1041 O LYS A 71 -9.145 4.667 7.705 1.00 0.00 O ATOM 1042 CB LYS A 71 -7.588 6.196 5.108 1.00 0.00 C ATOM 1043 CG LYS A 71 -7.195 5.945 3.657 1.00 0.00 C ATOM 1044 CD LYS A 71 -7.018 4.469 3.356 1.00 0.00 C ATOM 1045 CE LYS A 71 -7.834 4.050 2.143 1.00 0.00 C ATOM 1046 NZ LYS A 71 -7.674 2.606 1.829 1.00 0.00 N ATOM 0 H LYS A 71 -9.764 7.222 4.453 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.984 4.552 5.220 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.609 7.271 5.286 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.818 5.780 5.758 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.959 6.359 2.999 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.266 6.472 3.438 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.964 4.256 3.179 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.321 3.880 4.222 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.887 4.266 2.324 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.530 4.643 1.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.533 2.256 1.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.857 2.476 1.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -7.520 2.074 2.709 1.00 0.00 H new ATOM 1060 N VAL A 72 -9.220 6.910 7.546 1.00 0.00 N ATOM 1061 CA VAL A 72 -9.384 7.112 8.988 1.00 0.00 C ATOM 1062 C VAL A 72 -10.639 6.429 9.501 1.00 0.00 C ATOM 1063 O VAL A 72 -10.642 5.837 10.580 1.00 0.00 O ATOM 1064 CB VAL A 72 -9.456 8.608 9.352 1.00 0.00 C ATOM 1065 CG1 VAL A 72 -8.150 9.314 9.022 1.00 0.00 C ATOM 1066 CG2 VAL A 72 -10.628 9.272 8.643 1.00 0.00 C ATOM 0 H VAL A 72 -9.197 7.770 6.998 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.506 6.671 9.461 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.615 8.690 10.427 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.229 10.368 9.289 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.337 8.857 9.585 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.947 9.224 7.955 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.664 10.328 8.911 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.503 9.175 7.565 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -11.557 8.789 8.945 1.00 0.00 H new ATOM 1076 N GLN A 73 -11.708 6.525 8.727 1.00 0.00 N ATOM 1077 CA GLN A 73 -12.977 5.926 9.103 1.00 0.00 C ATOM 1078 C GLN A 73 -12.891 4.406 9.096 1.00 0.00 C ATOM 1079 O GLN A 73 -13.230 3.755 10.080 1.00 0.00 O ATOM 1080 CB GLN A 73 -14.075 6.403 8.156 1.00 0.00 C ATOM 1081 CG GLN A 73 -14.088 7.912 7.968 1.00 0.00 C ATOM 1082 CD GLN A 73 -14.415 8.661 9.245 1.00 0.00 C ATOM 1083 OE1 GLN A 73 -15.073 8.130 10.141 1.00 0.00 O ATOM 1084 NE2 GLN A 73 -13.955 9.904 9.332 1.00 0.00 N ATOM 0 H GLN A 73 -11.721 7.014 7.832 1.00 0.00 H new ATOM 0 HA GLN A 73 -13.219 6.240 10.118 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.943 5.923 7.186 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -15.043 6.083 8.541 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.114 8.236 7.601 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.819 8.172 7.203 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.414 10.303 8.565 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.143 10.460 10.166 1.00 0.00 H new ATOM 1093 N GLU A 74 -12.422 3.845 7.986 1.00 0.00 N ATOM 1094 CA GLU A 74 -12.288 2.397 7.868 1.00 0.00 C ATOM 1095 C GLU A 74 -11.324 1.855 8.918 1.00 0.00 C ATOM 1096 O GLU A 74 -11.603 0.849 9.572 1.00 0.00 O ATOM 1097 CB GLU A 74 -11.804 2.019 6.473 1.00 0.00 C ATOM 1098 CG GLU A 74 -11.678 0.520 6.259 1.00 0.00 C ATOM 1099 CD GLU A 74 -12.847 -0.258 6.830 1.00 0.00 C ATOM 1100 OE1 GLU A 74 -13.992 0.234 6.736 1.00 0.00 O ATOM 1101 OE2 GLU A 74 -12.619 -1.362 7.370 1.00 0.00 O ATOM 0 H GLU A 74 -12.130 4.367 7.160 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.269 1.952 8.035 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.495 2.426 5.735 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.835 2.486 6.295 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.599 0.316 5.191 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.755 0.169 6.720 1.00 0.00 H new ATOM 1108 N ALA A 75 -10.193 2.530 9.070 1.00 0.00 N ATOM 1109 CA ALA A 75 -9.183 2.124 10.040 1.00 0.00 C ATOM 1110 C ALA A 75 -9.732 2.172 11.458 1.00 0.00 C ATOM 1111 O ALA A 75 -9.613 1.210 12.215 1.00 0.00 O ATOM 1112 CB ALA A 75 -7.959 3.013 9.924 1.00 0.00 C ATOM 0 H ALA A 75 -9.951 3.363 8.533 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.899 1.095 9.821 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.212 2.700 10.653 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.543 2.930 8.920 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.242 4.048 10.115 1.00 0.00 H new ATOM 1118 N LEU A 76 -10.328 3.302 11.814 1.00 0.00 N ATOM 1119 CA LEU A 76 -10.895 3.480 13.145 1.00 0.00 C ATOM 1120 C LEU A 76 -12.127 2.600 13.337 1.00 0.00 C ATOM 1121 O LEU A 76 -12.466 2.229 14.462 1.00 0.00 O ATOM 1122 CB LEU A 76 -11.264 4.950 13.366 1.00 0.00 C ATOM 1123 CG LEU A 76 -10.111 5.872 13.770 1.00 0.00 C ATOM 1124 CD1 LEU A 76 -10.614 7.296 13.969 1.00 0.00 C ATOM 1125 CD2 LEU A 76 -9.428 5.368 15.035 1.00 0.00 C ATOM 0 H LEU A 76 -10.432 4.110 11.200 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.144 3.183 13.877 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.708 5.336 12.448 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.032 5.000 14.138 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.377 5.870 12.964 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -9.782 7.939 14.256 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.051 7.661 13.039 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -11.370 7.308 14.754 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -8.612 6.041 15.301 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -10.151 5.334 15.850 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -9.031 4.368 14.860 1.00 0.00 H new ATOM 1137 N GLU A 77 -12.793 2.267 12.236 1.00 0.00 N ATOM 1138 CA GLU A 77 -13.989 1.432 12.287 1.00 0.00 C ATOM 1139 C GLU A 77 -13.635 -0.018 12.613 1.00 0.00 C ATOM 1140 O GLU A 77 -14.231 -0.627 13.502 1.00 0.00 O ATOM 1141 CB GLU A 77 -14.741 1.497 10.955 1.00 0.00 C ATOM 1142 CG GLU A 77 -16.159 0.956 11.026 1.00 0.00 C ATOM 1143 CD GLU A 77 -17.196 2.055 11.161 1.00 0.00 C ATOM 1144 OE1 GLU A 77 -16.948 3.013 11.925 1.00 0.00 O ATOM 1145 OE2 GLU A 77 -18.254 1.958 10.503 1.00 0.00 O ATOM 0 H GLU A 77 -12.525 2.562 11.297 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.631 1.816 13.080 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.773 2.533 10.617 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.184 0.934 10.206 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.367 0.373 10.129 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.243 0.276 11.874 1.00 0.00 H new ATOM 1152 N VAL A 78 -12.664 -0.565 11.889 1.00 0.00 N ATOM 1153 CA VAL A 78 -12.232 -1.943 12.099 1.00 0.00 C ATOM 1154 C VAL A 78 -11.064 -2.020 13.077 1.00 0.00 C ATOM 1155 O VAL A 78 -10.791 -3.079 13.645 1.00 0.00 O ATOM 1156 CB VAL A 78 -11.828 -2.613 10.770 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -10.621 -1.914 10.153 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -11.546 -4.094 10.979 1.00 0.00 C ATOM 0 H VAL A 78 -12.160 -0.074 11.150 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.083 -2.477 12.523 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.663 -2.519 10.076 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.356 -2.405 9.217 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.865 -0.870 9.959 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.778 -1.967 10.842 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.263 -4.548 10.029 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.732 -4.212 11.695 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.441 -4.584 11.363 1.00 0.00 H new