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 34 HIS :FLIP no HE2:sc= -23.8! C(o=-32!,f=-28!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -149:sc= -3.88! (180deg=-4.53!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.66 F(o=-2.2!,f=-0.66) USER MOD Single : A 39 ASN : amide:sc= -0.987 K(o=-0.99,f=-1.5!) USER MOD Single : A 45 LYS NZ :NH3+ -118:sc= 0.124 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 84:sc=-0.00241 USER MOD Single : A 49 MET CE :methyl -108:sc= -2.44! (180deg=-5.22!) USER MOD Single : A 53 MET CE :methyl -145:sc= -0.202 (180deg=-0.793) USER MOD Single : A 55 ASN : amide:sc= -3.22 K(o=-3.2,f=-6!) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc=0.000466 USER MOD Single : A 73 GLN : amide:sc= -0.0675 X(o=-0.068,f=-0.015) USER MOD ----------------------------------------------------------------- ATOM 362 N VAL A 26 7.013 2.088 -0.843 1.00 0.00 N ATOM 363 CA VAL A 26 7.110 3.534 -0.669 1.00 0.00 C ATOM 364 C VAL A 26 5.784 4.123 -0.209 1.00 0.00 C ATOM 365 O VAL A 26 5.737 4.948 0.702 1.00 0.00 O ATOM 366 CB VAL A 26 7.557 4.232 -1.974 1.00 0.00 C ATOM 367 CG1 VAL A 26 6.421 4.317 -2.981 1.00 0.00 C ATOM 368 CG2 VAL A 26 8.113 5.614 -1.672 1.00 0.00 C ATOM 0 HA VAL A 26 7.863 3.711 0.099 1.00 0.00 H new ATOM 0 HB VAL A 26 8.346 3.628 -2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.773 4.814 -3.885 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.078 3.312 -3.229 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.596 4.886 -2.552 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.423 6.092 -2.601 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.344 6.219 -1.192 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.971 5.523 -1.006 1.00 0.00 H new ATOM 378 N LEU A 27 4.709 3.690 -0.853 1.00 0.00 N ATOM 379 CA LEU A 27 3.371 4.170 -0.522 1.00 0.00 C ATOM 380 C LEU A 27 3.061 3.951 0.954 1.00 0.00 C ATOM 381 O LEU A 27 2.559 4.850 1.624 1.00 0.00 O ATOM 382 CB LEU A 27 2.319 3.474 -1.386 1.00 0.00 C ATOM 383 CG LEU A 27 2.505 3.627 -2.900 1.00 0.00 C ATOM 384 CD1 LEU A 27 1.322 3.026 -3.642 1.00 0.00 C ATOM 385 CD2 LEU A 27 2.691 5.088 -3.282 1.00 0.00 C ATOM 0 H LEU A 27 4.736 3.006 -1.609 1.00 0.00 H new ATOM 0 HA LEU A 27 3.342 5.240 -0.726 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.319 2.412 -1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.337 3.863 -1.117 1.00 0.00 H new ATOM 0 HG LEU A 27 3.407 3.087 -3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.469 3.142 -4.716 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.241 1.966 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.407 3.538 -3.343 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.821 5.168 -4.361 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.813 5.658 -2.979 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.573 5.486 -2.780 1.00 0.00 H new ATOM 397 N GLY A 28 3.351 2.750 1.454 1.00 0.00 N ATOM 398 CA GLY A 28 3.078 2.443 2.847 1.00 0.00 C ATOM 399 C GLY A 28 3.826 3.349 3.804 1.00 0.00 C ATOM 400 O GLY A 28 3.285 3.752 4.834 1.00 0.00 O ATOM 0 H GLY A 28 3.769 1.988 0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.007 2.532 3.031 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.351 1.407 3.046 1.00 0.00 H new ATOM 404 N GLU A 29 5.066 3.687 3.462 1.00 0.00 N ATOM 405 CA GLU A 29 5.867 4.569 4.304 1.00 0.00 C ATOM 406 C GLU A 29 5.320 5.991 4.233 1.00 0.00 C ATOM 407 O GLU A 29 5.073 6.624 5.259 1.00 0.00 O ATOM 408 CB GLU A 29 7.331 4.546 3.866 1.00 0.00 C ATOM 409 CG GLU A 29 8.081 3.298 4.300 1.00 0.00 C ATOM 410 CD GLU A 29 8.413 3.300 5.780 1.00 0.00 C ATOM 411 OE1 GLU A 29 7.519 2.983 6.591 1.00 0.00 O ATOM 412 OE2 GLU A 29 9.570 3.619 6.128 1.00 0.00 O ATOM 0 H GLU A 29 5.535 3.366 2.615 1.00 0.00 H new ATOM 0 HA GLU A 29 5.810 4.215 5.333 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.377 4.627 2.780 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.836 5.422 4.273 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.480 2.419 4.068 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.003 3.215 3.725 1.00 0.00 H new ATOM 419 N ARG A 30 5.125 6.477 3.012 1.00 0.00 N ATOM 420 CA ARG A 30 4.590 7.817 2.799 1.00 0.00 C ATOM 421 C ARG A 30 3.136 7.897 3.258 1.00 0.00 C ATOM 422 O ARG A 30 2.591 8.985 3.440 1.00 0.00 O ATOM 423 CB ARG A 30 4.683 8.200 1.320 1.00 0.00 C ATOM 424 CG ARG A 30 6.089 8.088 0.750 1.00 0.00 C ATOM 425 CD ARG A 30 6.460 9.317 -0.064 1.00 0.00 C ATOM 426 NE ARG A 30 7.183 8.966 -1.284 1.00 0.00 N ATOM 427 CZ ARG A 30 7.230 9.735 -2.371 1.00 0.00 C ATOM 428 NH1 ARG A 30 6.617 10.911 -2.387 1.00 0.00 N ATOM 429 NH2 ARG A 30 7.897 9.327 -3.441 1.00 0.00 N ATOM 0 H ARG A 30 5.329 5.963 2.155 1.00 0.00 H new ATOM 0 HA ARG A 30 5.185 8.515 3.388 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.014 7.560 0.745 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.330 9.224 1.195 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.803 7.960 1.563 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.158 7.200 0.122 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.555 9.867 -0.324 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.074 9.982 0.543 1.00 0.00 H new ATOM 0 HE ARG A 30 7.683 8.077 -1.305 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.106 11.231 -1.564 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.656 11.495 -3.222 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.374 8.425 -3.432 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.934 9.915 -4.274 1.00 0.00 H new ATOM 443 N LEU A 31 2.512 6.734 3.443 1.00 0.00 N ATOM 444 CA LEU A 31 1.126 6.671 3.877 1.00 0.00 C ATOM 445 C LEU A 31 1.003 7.055 5.346 1.00 0.00 C ATOM 446 O LEU A 31 0.336 8.023 5.703 1.00 0.00 O ATOM 447 CB LEU A 31 0.602 5.246 3.676 1.00 0.00 C ATOM 448 CG LEU A 31 -0.622 5.119 2.772 1.00 0.00 C ATOM 449 CD1 LEU A 31 -0.265 4.404 1.481 1.00 0.00 C ATOM 450 CD2 LEU A 31 -1.746 4.385 3.493 1.00 0.00 C ATOM 0 H LEU A 31 2.949 5.824 3.298 1.00 0.00 H new ATOM 0 HA LEU A 31 0.539 7.374 3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.405 4.637 3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.357 4.826 4.652 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.967 6.123 2.524 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.152 4.324 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.505 4.968 0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.109 3.406 1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.610 4.304 2.833 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.408 3.387 3.773 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.025 4.938 4.390 1.00 0.00 H new ATOM 462 N TYR A 32 1.659 6.280 6.192 1.00 0.00 N ATOM 463 CA TYR A 32 1.637 6.507 7.628 1.00 0.00 C ATOM 464 C TYR A 32 1.905 7.970 7.978 1.00 0.00 C ATOM 465 O TYR A 32 1.442 8.461 9.000 1.00 0.00 O ATOM 466 CB TYR A 32 2.677 5.596 8.291 1.00 0.00 C ATOM 467 CG TYR A 32 2.423 5.318 9.754 1.00 0.00 C ATOM 468 CD1 TYR A 32 2.536 6.325 10.698 1.00 0.00 C ATOM 469 CD2 TYR A 32 2.076 4.046 10.186 1.00 0.00 C ATOM 470 CE1 TYR A 32 2.309 6.074 12.039 1.00 0.00 C ATOM 471 CE2 TYR A 32 1.845 3.787 11.523 1.00 0.00 C ATOM 472 CZ TYR A 32 1.963 4.803 12.447 1.00 0.00 C ATOM 473 OH TYR A 32 1.736 4.549 13.779 1.00 0.00 O ATOM 0 H TYR A 32 2.220 5.478 5.905 1.00 0.00 H new ATOM 0 HA TYR A 32 0.641 6.269 8.002 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.707 4.648 7.754 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.661 6.053 8.186 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.806 7.322 10.382 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.985 3.246 9.466 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.402 6.870 12.763 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.573 2.792 11.843 1.00 0.00 H new ATOM 0 HH TYR A 32 1.501 3.605 13.897 1.00 0.00 H new ATOM 483 N ASN A 33 2.671 8.652 7.141 1.00 0.00 N ATOM 484 CA ASN A 33 3.021 10.052 7.385 1.00 0.00 C ATOM 485 C ASN A 33 1.828 10.990 7.211 1.00 0.00 C ATOM 486 O ASN A 33 1.663 11.937 7.978 1.00 0.00 O ATOM 487 CB ASN A 33 4.175 10.460 6.457 1.00 0.00 C ATOM 488 CG ASN A 33 4.281 11.959 6.241 1.00 0.00 C ATOM 489 OD1 ASN A 33 3.350 12.516 5.476 1.00 0.00 O flip ATOM 490 ND2 ASN A 33 5.195 12.608 6.752 1.00 0.00 N flip ATOM 0 H ASN A 33 3.065 8.263 6.284 1.00 0.00 H new ATOM 0 HA ASN A 33 3.337 10.142 8.424 1.00 0.00 H new ATOM 0 HB2 ASN A 33 5.113 10.095 6.875 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.044 9.971 5.492 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.890 12.140 7.334 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.257 13.614 6.594 1.00 0.00 H new ATOM 497 N HIS A 34 1.009 10.743 6.205 1.00 0.00 N ATOM 498 CA HIS A 34 -0.143 11.595 5.961 1.00 0.00 C ATOM 499 C HIS A 34 -1.122 11.530 7.131 1.00 0.00 C ATOM 500 O HIS A 34 -1.733 12.527 7.509 1.00 0.00 O ATOM 501 CB HIS A 34 -0.854 11.176 4.671 1.00 0.00 C ATOM 502 CG HIS A 34 -1.528 9.847 4.767 1.00 0.00 C ATOM 503 ND1 HIS A 34 -2.494 9.433 5.599 1.00 0.00 N flip ATOM 504 CD2 HIS A 34 -1.207 8.763 3.988 1.00 0.00 C flip ATOM 505 CE1 HIS A 34 -2.740 8.117 5.334 1.00 0.00 C flip ATOM 506 NE2 HIS A 34 -1.948 7.735 4.358 1.00 0.00 N flip ATOM 0 H HIS A 34 1.117 9.969 5.550 1.00 0.00 H new ATOM 0 HA HIS A 34 0.212 12.620 5.857 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.595 11.932 4.412 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.128 11.149 3.858 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -2.962 10.001 6.305 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.468 8.753 3.200 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -3.463 7.495 5.841 1.00 0.00 H new ATOM 515 N ILE A 35 -1.291 10.328 7.664 1.00 0.00 N ATOM 516 CA ILE A 35 -2.226 10.082 8.764 1.00 0.00 C ATOM 517 C ILE A 35 -1.553 10.103 10.140 1.00 0.00 C ATOM 518 O ILE A 35 -2.219 10.340 11.142 1.00 0.00 O ATOM 519 CB ILE A 35 -2.977 8.742 8.571 1.00 0.00 C ATOM 520 CG1 ILE A 35 -3.887 8.442 9.764 1.00 0.00 C ATOM 521 CG2 ILE A 35 -2.003 7.600 8.339 1.00 0.00 C ATOM 522 CD1 ILE A 35 -5.259 7.964 9.342 1.00 0.00 C ATOM 0 H ILE A 35 -0.789 9.497 7.351 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.940 10.905 8.737 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.604 8.839 7.685 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.419 7.684 10.392 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.990 9.340 10.373 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.557 6.671 8.207 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.413 7.801 7.445 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.339 7.507 9.199 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.863 7.766 10.227 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.742 8.732 8.737 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.162 7.049 8.757 1.00 0.00 H new ATOM 534 N VAL A 36 -0.246 9.861 10.212 1.00 0.00 N ATOM 535 CA VAL A 36 0.433 9.874 11.511 1.00 0.00 C ATOM 536 C VAL A 36 0.165 11.185 12.237 1.00 0.00 C ATOM 537 O VAL A 36 -0.200 11.194 13.410 1.00 0.00 O ATOM 538 CB VAL A 36 1.963 9.678 11.394 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.603 10.788 10.573 1.00 0.00 C ATOM 540 CG2 VAL A 36 2.610 9.606 12.773 1.00 0.00 C ATOM 0 H VAL A 36 0.353 9.658 9.412 1.00 0.00 H new ATOM 0 HA VAL A 36 0.027 9.033 12.073 1.00 0.00 H new ATOM 0 HB VAL A 36 2.132 8.732 10.879 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.678 10.620 10.510 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.177 10.790 9.570 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.413 11.749 11.050 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.686 9.468 12.663 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.416 10.532 13.315 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.191 8.767 13.328 1.00 0.00 H new ATOM 550 N ALA A 37 0.355 12.289 11.529 1.00 0.00 N ATOM 551 CA ALA A 37 0.142 13.608 12.098 1.00 0.00 C ATOM 552 C ALA A 37 -1.345 13.935 12.178 1.00 0.00 C ATOM 553 O ALA A 37 -1.765 14.772 12.977 1.00 0.00 O ATOM 554 CB ALA A 37 0.877 14.658 11.275 1.00 0.00 C ATOM 0 H ALA A 37 0.658 12.295 10.555 1.00 0.00 H new ATOM 0 HA ALA A 37 0.541 13.613 13.112 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.711 15.643 11.710 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.944 14.437 11.274 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.503 14.646 10.251 1.00 0.00 H new ATOM 560 N ILE A 38 -2.136 13.274 11.343 1.00 0.00 N ATOM 561 CA ILE A 38 -3.576 13.513 11.324 1.00 0.00 C ATOM 562 C ILE A 38 -4.305 12.566 12.284 1.00 0.00 C ATOM 563 O ILE A 38 -4.883 13.001 13.280 1.00 0.00 O ATOM 564 CB ILE A 38 -4.162 13.387 9.889 1.00 0.00 C ATOM 565 CG1 ILE A 38 -3.759 14.594 9.029 1.00 0.00 C ATOM 566 CG2 ILE A 38 -5.684 13.279 9.920 1.00 0.00 C ATOM 567 CD1 ILE A 38 -2.265 14.838 8.943 1.00 0.00 C ATOM 0 H ILE A 38 -1.811 12.575 10.676 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.735 14.537 11.661 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.753 12.477 9.451 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.149 14.452 8.021 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.237 15.487 9.433 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.063 13.192 8.902 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -5.975 12.398 10.492 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.103 14.170 10.388 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.074 15.709 8.316 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.867 15.016 9.942 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.778 13.965 8.509 1.00 0.00 H new ATOM 579 N ASN A 39 -4.268 11.273 11.981 1.00 0.00 N ATOM 580 CA ASN A 39 -4.916 10.267 12.818 1.00 0.00 C ATOM 581 C ASN A 39 -3.914 9.208 13.277 1.00 0.00 C ATOM 582 O ASN A 39 -3.897 8.093 12.761 1.00 0.00 O ATOM 583 CB ASN A 39 -6.065 9.605 12.054 1.00 0.00 C ATOM 584 CG ASN A 39 -7.259 9.316 12.940 1.00 0.00 C ATOM 585 OD1 ASN A 39 -7.523 10.036 13.904 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.988 8.253 12.620 1.00 0.00 N ATOM 0 H ASN A 39 -3.795 10.895 11.160 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.315 10.766 13.701 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.373 10.254 11.234 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.713 8.674 11.609 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.803 8.006 13.182 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.733 7.684 11.813 1.00 0.00 H new ATOM 593 N PRO A 40 -3.056 9.546 14.261 1.00 0.00 N ATOM 594 CA PRO A 40 -2.052 8.613 14.781 1.00 0.00 C ATOM 595 C PRO A 40 -2.654 7.270 15.182 1.00 0.00 C ATOM 596 O PRO A 40 -2.000 6.232 15.076 1.00 0.00 O ATOM 597 CB PRO A 40 -1.494 9.321 16.017 1.00 0.00 C ATOM 598 CG PRO A 40 -1.779 10.770 15.812 1.00 0.00 C ATOM 599 CD PRO A 40 -3.003 10.857 14.937 1.00 0.00 C ATOM 0 HA PRO A 40 -1.299 8.383 14.027 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.968 8.953 16.927 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.424 9.143 16.121 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.950 11.268 16.766 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.931 11.267 15.340 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.902 11.038 15.526 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.922 11.673 14.219 1.00 0.00 H new ATOM 607 N ALA A 41 -3.898 7.296 15.649 1.00 0.00 N ATOM 608 CA ALA A 41 -4.580 6.079 16.073 1.00 0.00 C ATOM 609 C ALA A 41 -5.306 5.411 14.908 1.00 0.00 C ATOM 610 O ALA A 41 -6.449 4.976 15.043 1.00 0.00 O ATOM 611 CB ALA A 41 -5.556 6.389 17.200 1.00 0.00 C ATOM 0 H ALA A 41 -4.454 8.146 15.743 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.826 5.381 16.438 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.059 5.472 17.508 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.012 6.807 18.047 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.296 7.110 16.852 1.00 0.00 H new ATOM 617 N ALA A 42 -4.632 5.325 13.767 1.00 0.00 N ATOM 618 CA ALA A 42 -5.200 4.703 12.578 1.00 0.00 C ATOM 619 C ALA A 42 -4.089 4.300 11.623 1.00 0.00 C ATOM 620 O ALA A 42 -4.131 3.228 11.024 1.00 0.00 O ATOM 621 CB ALA A 42 -6.176 5.646 11.889 1.00 0.00 C ATOM 0 H ALA A 42 -3.685 5.681 13.641 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.748 3.811 12.881 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.588 5.161 11.004 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.985 5.897 12.575 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.655 6.557 11.594 1.00 0.00 H new ATOM 627 N ALA A 43 -3.094 5.181 11.496 1.00 0.00 N ATOM 628 CA ALA A 43 -1.941 4.956 10.628 1.00 0.00 C ATOM 629 C ALA A 43 -1.537 3.487 10.616 1.00 0.00 C ATOM 630 O ALA A 43 -1.471 2.854 9.560 1.00 0.00 O ATOM 631 CB ALA A 43 -0.775 5.809 11.099 1.00 0.00 C ATOM 0 H ALA A 43 -3.067 6.071 11.994 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.217 5.238 9.612 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.085 5.640 10.450 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.056 6.862 11.062 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.516 5.538 12.123 1.00 0.00 H new ATOM 637 N ALA A 44 -1.260 2.954 11.804 1.00 0.00 N ATOM 638 CA ALA A 44 -0.857 1.564 11.946 1.00 0.00 C ATOM 639 C ALA A 44 -1.801 0.629 11.196 1.00 0.00 C ATOM 640 O ALA A 44 -1.382 -0.395 10.657 1.00 0.00 O ATOM 641 CB ALA A 44 -0.794 1.184 13.420 1.00 0.00 C ATOM 0 H ALA A 44 -1.309 3.469 12.683 1.00 0.00 H new ATOM 0 HA ALA A 44 0.135 1.455 11.507 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.491 0.141 13.514 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.069 1.820 13.929 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.776 1.319 13.873 1.00 0.00 H new ATOM 647 N LYS A 45 -3.077 0.993 11.173 1.00 0.00 N ATOM 648 CA LYS A 45 -4.093 0.199 10.496 1.00 0.00 C ATOM 649 C LYS A 45 -4.227 0.603 9.032 1.00 0.00 C ATOM 650 O LYS A 45 -4.257 -0.247 8.146 1.00 0.00 O ATOM 651 CB LYS A 45 -5.444 0.357 11.200 1.00 0.00 C ATOM 652 CG LYS A 45 -5.760 -0.762 12.180 1.00 0.00 C ATOM 653 CD LYS A 45 -5.879 -2.106 11.481 1.00 0.00 C ATOM 654 CE LYS A 45 -5.584 -3.253 12.433 1.00 0.00 C ATOM 655 NZ LYS A 45 -5.443 -4.553 11.720 1.00 0.00 N ATOM 0 H LYS A 45 -3.434 1.838 11.618 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.782 -0.845 10.537 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.457 1.308 11.732 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.232 0.402 10.448 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.978 -0.814 12.937 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.692 -0.538 12.699 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.884 -2.218 11.074 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.188 -2.143 10.639 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.667 -3.040 12.982 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.386 -3.328 13.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.180 -5.210 12.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.544 -4.400 10.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.506 -4.958 11.919 1.00 0.00 H new ATOM 669 N VAL A 46 -4.305 1.905 8.785 1.00 0.00 N ATOM 670 CA VAL A 46 -4.441 2.417 7.428 1.00 0.00 C ATOM 671 C VAL A 46 -3.260 1.998 6.560 1.00 0.00 C ATOM 672 O VAL A 46 -3.440 1.566 5.425 1.00 0.00 O ATOM 673 CB VAL A 46 -4.555 3.955 7.408 1.00 0.00 C ATOM 674 CG1 VAL A 46 -4.942 4.444 6.021 1.00 0.00 C ATOM 675 CG2 VAL A 46 -5.559 4.436 8.445 1.00 0.00 C ATOM 0 H VAL A 46 -4.276 2.625 9.507 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.359 1.989 7.025 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.580 4.372 7.660 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.018 5.531 6.027 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.183 4.137 5.302 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.903 4.015 5.739 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.623 5.524 8.413 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.538 4.009 8.229 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.236 4.121 9.437 1.00 0.00 H new ATOM 685 N THR A 47 -2.056 2.130 7.101 1.00 0.00 N ATOM 686 CA THR A 47 -0.842 1.770 6.378 1.00 0.00 C ATOM 687 C THR A 47 -0.745 0.263 6.169 1.00 0.00 C ATOM 688 O THR A 47 -0.556 -0.207 5.048 1.00 0.00 O ATOM 689 CB THR A 47 0.390 2.269 7.140 1.00 0.00 C ATOM 690 OG1 THR A 47 0.412 3.685 7.189 1.00 0.00 O ATOM 691 CG2 THR A 47 1.699 1.810 6.533 1.00 0.00 C ATOM 0 H THR A 47 -1.893 2.486 8.043 1.00 0.00 H new ATOM 0 HA THR A 47 -0.882 2.246 5.398 1.00 0.00 H new ATOM 0 HB THR A 47 0.302 1.841 8.138 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.140 3.995 7.937 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.529 2.199 7.122 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.736 0.721 6.529 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.775 2.179 5.510 1.00 0.00 H new ATOM 699 N GLY A 48 -0.857 -0.487 7.256 1.00 0.00 N ATOM 700 CA GLY A 48 -0.760 -1.930 7.175 1.00 0.00 C ATOM 701 C GLY A 48 -1.912 -2.542 6.416 1.00 0.00 C ATOM 702 O GLY A 48 -1.710 -3.334 5.498 1.00 0.00 O ATOM 0 H GLY A 48 -1.014 -0.121 8.195 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.177 -2.202 6.689 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.729 -2.347 8.182 1.00 0.00 H new ATOM 706 N MET A 49 -3.124 -2.171 6.800 1.00 0.00 N ATOM 707 CA MET A 49 -4.312 -2.685 6.144 1.00 0.00 C ATOM 708 C MET A 49 -4.468 -2.076 4.763 1.00 0.00 C ATOM 709 O MET A 49 -4.721 -2.797 3.803 1.00 0.00 O ATOM 710 CB MET A 49 -5.565 -2.411 6.979 1.00 0.00 C ATOM 711 CG MET A 49 -5.570 -3.131 8.314 1.00 0.00 C ATOM 712 SD MET A 49 -5.629 -4.924 8.131 1.00 0.00 S ATOM 713 CE MET A 49 -3.898 -5.294 7.864 1.00 0.00 C ATOM 0 H MET A 49 -3.308 -1.517 7.561 1.00 0.00 H new ATOM 0 HA MET A 49 -4.193 -3.764 6.043 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.649 -1.338 7.153 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.445 -2.711 6.410 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.677 -2.855 8.875 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.429 -2.800 8.898 1.00 0.00 H new ATOM 0 HE1 MET A 49 -3.743 -5.575 6.823 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.298 -4.414 8.096 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.598 -6.118 8.511 1.00 0.00 H new ATOM 723 N LEU A 50 -4.354 -0.741 4.690 1.00 0.00 N ATOM 724 CA LEU A 50 -4.519 0.017 3.439 1.00 0.00 C ATOM 725 C LEU A 50 -5.249 -0.781 2.361 1.00 0.00 C ATOM 726 O LEU A 50 -6.371 -0.446 1.986 1.00 0.00 O ATOM 727 CB LEU A 50 -3.164 0.461 2.895 1.00 0.00 C ATOM 728 CG LEU A 50 -3.225 1.173 1.544 1.00 0.00 C ATOM 729 CD1 LEU A 50 -3.936 2.516 1.667 1.00 0.00 C ATOM 730 CD2 LEU A 50 -1.826 1.346 0.974 1.00 0.00 C ATOM 0 H LEU A 50 -4.144 -0.155 5.498 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.127 0.887 3.687 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.696 1.126 3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.520 -0.413 2.802 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.801 0.555 0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.966 3.002 0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.953 2.358 2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.398 3.149 2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.885 1.855 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.224 1.940 1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.364 0.368 0.839 1.00 0.00 H new ATOM 742 N LEU A 51 -4.606 -1.836 1.872 1.00 0.00 N ATOM 743 CA LEU A 51 -5.193 -2.679 0.844 1.00 0.00 C ATOM 744 C LEU A 51 -6.352 -3.496 1.401 1.00 0.00 C ATOM 745 O LEU A 51 -6.283 -4.724 1.468 1.00 0.00 O ATOM 746 CB LEU A 51 -4.128 -3.610 0.262 1.00 0.00 C ATOM 747 CG LEU A 51 -2.987 -2.905 -0.480 1.00 0.00 C ATOM 748 CD1 LEU A 51 -1.701 -2.967 0.330 1.00 0.00 C ATOM 749 CD2 LEU A 51 -2.778 -3.526 -1.852 1.00 0.00 C ATOM 0 H LEU A 51 -3.676 -2.126 2.174 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.580 -2.035 0.054 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.703 -4.203 1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.611 -4.307 -0.423 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.262 -1.858 -0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.904 -2.461 -0.214 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.852 -2.476 1.291 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.424 -4.008 0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.964 -3.012 -2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.528 -4.581 -1.740 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.692 -3.431 -2.438 1.00 0.00 H new ATOM 761 N GLU A 52 -7.417 -2.810 1.797 1.00 0.00 N ATOM 762 CA GLU A 52 -8.590 -3.476 2.342 1.00 0.00 C ATOM 763 C GLU A 52 -9.675 -3.598 1.281 1.00 0.00 C ATOM 764 O GLU A 52 -9.481 -3.199 0.134 1.00 0.00 O ATOM 765 CB GLU A 52 -9.127 -2.706 3.548 1.00 0.00 C ATOM 766 CG GLU A 52 -8.212 -2.755 4.757 1.00 0.00 C ATOM 767 CD GLU A 52 -8.583 -3.859 5.726 1.00 0.00 C ATOM 768 OE1 GLU A 52 -8.925 -4.967 5.262 1.00 0.00 O ATOM 769 OE2 GLU A 52 -8.531 -3.617 6.951 1.00 0.00 O ATOM 0 H GLU A 52 -7.491 -1.794 1.750 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.298 -4.476 2.662 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.284 -1.666 3.264 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.101 -3.111 3.823 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.184 -2.899 4.424 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.248 -1.796 5.274 1.00 0.00 H new ATOM 776 N MET A 53 -10.819 -4.145 1.670 1.00 0.00 N ATOM 777 CA MET A 53 -11.931 -4.310 0.746 1.00 0.00 C ATOM 778 C MET A 53 -12.340 -2.965 0.147 1.00 0.00 C ATOM 779 O MET A 53 -12.287 -2.773 -1.068 1.00 0.00 O ATOM 780 CB MET A 53 -13.123 -4.944 1.468 1.00 0.00 C ATOM 781 CG MET A 53 -13.277 -6.432 1.202 1.00 0.00 C ATOM 782 SD MET A 53 -13.564 -6.798 -0.541 1.00 0.00 S ATOM 783 CE MET A 53 -15.064 -5.871 -0.841 1.00 0.00 C ATOM 0 H MET A 53 -11.000 -4.481 2.616 1.00 0.00 H new ATOM 0 HA MET A 53 -11.612 -4.966 -0.063 1.00 0.00 H new ATOM 0 HB2 MET A 53 -13.013 -4.785 2.541 1.00 0.00 H new ATOM 0 HB3 MET A 53 -14.036 -4.433 1.162 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.379 -6.952 1.536 1.00 0.00 H new ATOM 0 HG3 MET A 53 -14.107 -6.819 1.792 1.00 0.00 H new ATOM 0 HE1 MET A 53 -15.690 -6.411 -1.551 1.00 0.00 H new ATOM 0 HE2 MET A 53 -15.606 -5.743 0.096 1.00 0.00 H new ATOM 0 HE3 MET A 53 -14.812 -4.893 -1.251 1.00 0.00 H new ATOM 793 N ASP A 54 -12.740 -2.038 1.010 1.00 0.00 N ATOM 794 CA ASP A 54 -13.154 -0.711 0.569 1.00 0.00 C ATOM 795 C ASP A 54 -11.989 0.271 0.622 1.00 0.00 C ATOM 796 O ASP A 54 -11.489 0.705 -0.416 1.00 0.00 O ATOM 797 CB ASP A 54 -14.313 -0.208 1.429 1.00 0.00 C ATOM 798 CG ASP A 54 -14.702 1.225 1.109 1.00 0.00 C ATOM 799 OD1 ASP A 54 -15.276 1.453 0.024 1.00 0.00 O ATOM 800 OD2 ASP A 54 -14.433 2.113 1.942 1.00 0.00 O ATOM 0 H ASP A 54 -12.786 -2.181 2.019 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.487 -0.784 -0.466 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.177 -0.856 1.282 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.037 -0.279 2.481 1.00 0.00 H new ATOM 805 N ASN A 55 -11.561 0.620 1.836 1.00 0.00 N ATOM 806 CA ASN A 55 -10.447 1.551 2.016 1.00 0.00 C ATOM 807 C ASN A 55 -9.312 1.231 1.049 1.00 0.00 C ATOM 808 O ASN A 55 -8.562 2.118 0.641 1.00 0.00 O ATOM 809 CB ASN A 55 -9.931 1.502 3.456 1.00 0.00 C ATOM 810 CG ASN A 55 -8.900 2.582 3.737 1.00 0.00 C ATOM 811 OD1 ASN A 55 -9.000 3.698 3.227 1.00 0.00 O ATOM 812 ND2 ASN A 55 -7.904 2.251 4.550 1.00 0.00 N ATOM 0 H ASN A 55 -11.967 0.274 2.705 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.813 2.556 1.806 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -10.769 1.615 4.144 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.491 0.524 3.649 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.181 2.934 4.775 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -7.862 1.314 4.950 1.00 0.00 H new ATOM 819 N GLY A 56 -9.199 -0.042 0.680 1.00 0.00 N ATOM 820 CA GLY A 56 -8.162 -0.454 -0.244 1.00 0.00 C ATOM 821 C GLY A 56 -8.437 0.001 -1.661 1.00 0.00 C ATOM 822 O GLY A 56 -7.644 0.741 -2.234 1.00 0.00 O ATOM 0 H GLY A 56 -9.807 -0.793 1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.205 -0.050 0.085 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.073 -1.540 -0.225 1.00 0.00 H new ATOM 826 N GLU A 57 -9.550 -0.451 -2.237 1.00 0.00 N ATOM 827 CA GLU A 57 -9.904 -0.083 -3.610 1.00 0.00 C ATOM 828 C GLU A 57 -9.490 1.348 -3.937 1.00 0.00 C ATOM 829 O GLU A 57 -8.864 1.606 -4.967 1.00 0.00 O ATOM 830 CB GLU A 57 -11.401 -0.234 -3.829 1.00 0.00 C ATOM 831 CG GLU A 57 -11.926 -1.631 -3.534 1.00 0.00 C ATOM 832 CD GLU A 57 -12.384 -2.354 -4.785 1.00 0.00 C ATOM 833 OE1 GLU A 57 -11.677 -2.273 -5.810 1.00 0.00 O ATOM 834 OE2 GLU A 57 -13.452 -3.001 -4.738 1.00 0.00 O ATOM 0 H GLU A 57 -10.220 -1.069 -1.779 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.363 -0.757 -4.274 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.925 0.482 -3.197 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.635 0.022 -4.862 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.145 -2.214 -3.047 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.757 -1.563 -2.832 1.00 0.00 H new ATOM 841 N ILE A 58 -9.837 2.274 -3.052 1.00 0.00 N ATOM 842 CA ILE A 58 -9.497 3.678 -3.240 1.00 0.00 C ATOM 843 C ILE A 58 -7.980 3.854 -3.314 1.00 0.00 C ATOM 844 O ILE A 58 -7.476 4.601 -4.150 1.00 0.00 O ATOM 845 CB ILE A 58 -10.084 4.541 -2.101 1.00 0.00 C ATOM 846 CG1 ILE A 58 -11.613 4.492 -2.147 1.00 0.00 C ATOM 847 CG2 ILE A 58 -9.596 5.983 -2.190 1.00 0.00 C ATOM 848 CD1 ILE A 58 -12.263 4.482 -0.781 1.00 0.00 C ATOM 0 H ILE A 58 -10.355 2.077 -2.195 1.00 0.00 H new ATOM 0 HA ILE A 58 -9.933 4.012 -4.182 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.740 4.133 -1.151 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -11.978 5.353 -2.707 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -11.923 3.601 -2.693 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.027 6.564 -1.375 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.509 6.004 -2.116 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -9.903 6.413 -3.143 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -13.347 4.447 -0.894 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -11.927 3.607 -0.225 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -11.984 5.385 -0.239 1.00 0.00 H new ATOM 860 N LEU A 59 -7.267 3.156 -2.431 1.00 0.00 N ATOM 861 CA LEU A 59 -5.808 3.213 -2.383 1.00 0.00 C ATOM 862 C LEU A 59 -5.203 3.299 -3.783 1.00 0.00 C ATOM 863 O LEU A 59 -4.185 3.960 -3.994 1.00 0.00 O ATOM 864 CB LEU A 59 -5.271 1.980 -1.647 1.00 0.00 C ATOM 865 CG LEU A 59 -5.025 0.739 -2.515 1.00 0.00 C ATOM 866 CD1 LEU A 59 -3.653 0.804 -3.169 1.00 0.00 C ATOM 867 CD2 LEU A 59 -5.146 -0.524 -1.679 1.00 0.00 C ATOM 0 H LEU A 59 -7.682 2.539 -1.733 1.00 0.00 H new ATOM 0 HA LEU A 59 -5.519 4.116 -1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.334 2.251 -1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.976 1.715 -0.859 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.782 0.716 -3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.499 -0.085 -3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.592 1.692 -3.798 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.884 0.852 -2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.969 -1.396 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.409 -0.501 -0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.147 -0.583 -1.251 1.00 0.00 H new ATOM 879 N ASN A 60 -5.838 2.620 -4.735 1.00 0.00 N ATOM 880 CA ASN A 60 -5.368 2.605 -6.120 1.00 0.00 C ATOM 881 C ASN A 60 -5.011 4.006 -6.611 1.00 0.00 C ATOM 882 O ASN A 60 -4.124 4.170 -7.450 1.00 0.00 O ATOM 883 CB ASN A 60 -6.437 1.997 -7.030 1.00 0.00 C ATOM 884 CG ASN A 60 -5.846 1.314 -8.249 1.00 0.00 C ATOM 885 OD1 ASN A 60 -5.591 1.954 -9.270 1.00 0.00 O ATOM 886 ND2 ASN A 60 -5.629 0.007 -8.150 1.00 0.00 N ATOM 0 H ASN A 60 -6.682 2.071 -4.573 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.465 1.996 -6.155 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.024 1.275 -6.462 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.122 2.781 -7.354 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.236 -0.506 -8.939 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.855 -0.483 -7.285 1.00 0.00 H new ATOM 893 N LEU A 61 -5.705 5.013 -6.087 1.00 0.00 N ATOM 894 CA LEU A 61 -5.459 6.398 -6.481 1.00 0.00 C ATOM 895 C LEU A 61 -5.217 7.283 -5.263 1.00 0.00 C ATOM 896 O LEU A 61 -5.922 8.273 -5.060 1.00 0.00 O ATOM 897 CB LEU A 61 -6.647 6.941 -7.272 1.00 0.00 C ATOM 898 CG LEU A 61 -7.188 6.013 -8.353 1.00 0.00 C ATOM 899 CD1 LEU A 61 -8.471 5.342 -7.886 1.00 0.00 C ATOM 900 CD2 LEU A 61 -7.420 6.774 -9.650 1.00 0.00 C ATOM 0 H LEU A 61 -6.441 4.897 -5.390 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.566 6.412 -7.105 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.453 7.169 -6.575 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.353 7.882 -7.737 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.445 5.238 -8.543 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.843 4.683 -8.670 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -8.270 4.759 -6.987 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.220 6.103 -7.665 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.806 6.092 -10.408 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.142 7.573 -9.479 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.479 7.203 -9.994 1.00 0.00 H new ATOM 912 N LEU A 62 -4.225 6.910 -4.447 1.00 0.00 N ATOM 913 CA LEU A 62 -3.879 7.649 -3.228 1.00 0.00 C ATOM 914 C LEU A 62 -4.229 9.132 -3.346 1.00 0.00 C ATOM 915 O LEU A 62 -3.428 9.934 -3.828 1.00 0.00 O ATOM 916 CB LEU A 62 -2.384 7.493 -2.932 1.00 0.00 C ATOM 917 CG LEU A 62 -1.953 6.098 -2.487 1.00 0.00 C ATOM 918 CD1 LEU A 62 -0.606 5.731 -3.090 1.00 0.00 C ATOM 919 CD2 LEU A 62 -1.900 6.008 -0.969 1.00 0.00 C ATOM 0 H LEU A 62 -3.641 6.090 -4.612 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.464 7.231 -2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.823 7.761 -3.827 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.107 8.207 -2.156 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.695 5.385 -2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.319 4.733 -2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.678 5.746 -4.178 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.146 6.451 -2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.591 5.005 -0.675 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.184 6.736 -0.586 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.887 6.219 -0.557 1.00 0.00 H new ATOM 931 N ASP A 63 -5.437 9.479 -2.906 1.00 0.00 N ATOM 932 CA ASP A 63 -5.912 10.856 -2.964 1.00 0.00 C ATOM 933 C ASP A 63 -6.029 11.450 -1.567 1.00 0.00 C ATOM 934 O ASP A 63 -5.967 10.737 -0.572 1.00 0.00 O ATOM 935 CB ASP A 63 -7.266 10.928 -3.680 1.00 0.00 C ATOM 936 CG ASP A 63 -7.328 12.059 -4.689 1.00 0.00 C ATOM 937 OD1 ASP A 63 -7.101 13.221 -4.290 1.00 0.00 O ATOM 938 OD2 ASP A 63 -7.601 11.781 -5.876 1.00 0.00 O ATOM 0 H ASP A 63 -6.105 8.821 -2.504 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.184 11.439 -3.527 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.457 9.982 -4.187 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.057 11.059 -2.942 1.00 0.00 H new ATOM 943 N THR A 64 -6.196 12.765 -1.499 1.00 0.00 N ATOM 944 CA THR A 64 -6.309 13.441 -0.219 1.00 0.00 C ATOM 945 C THR A 64 -7.669 13.179 0.420 1.00 0.00 C ATOM 946 O THR A 64 -7.738 12.752 1.566 1.00 0.00 O ATOM 947 CB THR A 64 -6.068 14.945 -0.382 1.00 0.00 C ATOM 948 OG1 THR A 64 -5.051 15.185 -1.345 1.00 0.00 O ATOM 949 CG2 THR A 64 -5.660 15.623 0.908 1.00 0.00 C ATOM 0 H THR A 64 -6.256 13.379 -2.312 1.00 0.00 H new ATOM 0 HA THR A 64 -5.543 13.039 0.445 1.00 0.00 H new ATOM 0 HB THR A 64 -7.021 15.365 -0.705 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.910 16.150 -1.439 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.504 16.686 0.727 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.446 15.493 1.652 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.735 15.178 1.276 1.00 0.00 H new ATOM 957 N PRO A 65 -8.773 13.419 -0.306 1.00 0.00 N ATOM 958 CA PRO A 65 -10.113 13.187 0.226 1.00 0.00 C ATOM 959 C PRO A 65 -10.497 11.707 0.237 1.00 0.00 C ATOM 960 O PRO A 65 -10.721 11.124 1.297 1.00 0.00 O ATOM 961 CB PRO A 65 -11.017 13.978 -0.717 1.00 0.00 C ATOM 962 CG PRO A 65 -10.271 14.065 -2.008 1.00 0.00 C ATOM 963 CD PRO A 65 -8.801 13.921 -1.692 1.00 0.00 C ATOM 0 HA PRO A 65 -10.193 13.498 1.268 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.976 13.478 -0.851 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.227 14.970 -0.318 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -10.595 13.281 -2.692 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -10.466 15.018 -2.500 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.313 13.227 -2.376 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.280 14.874 -1.780 1.00 0.00 H new ATOM 971 N GLY A 66 -10.588 11.110 -0.954 1.00 0.00 N ATOM 972 CA GLY A 66 -10.965 9.709 -1.069 1.00 0.00 C ATOM 973 C GLY A 66 -10.243 8.828 -0.072 1.00 0.00 C ATOM 974 O GLY A 66 -10.875 8.174 0.756 1.00 0.00 O ATOM 0 H GLY A 66 -10.406 11.575 -1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.041 9.613 -0.921 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.750 9.360 -2.079 1.00 0.00 H new ATOM 978 N LEU A 67 -8.921 8.814 -0.147 1.00 0.00 N ATOM 979 CA LEU A 67 -8.118 8.015 0.759 1.00 0.00 C ATOM 980 C LEU A 67 -8.390 8.394 2.211 1.00 0.00 C ATOM 981 O LEU A 67 -8.964 7.609 2.967 1.00 0.00 O ATOM 982 CB LEU A 67 -6.643 8.208 0.423 1.00 0.00 C ATOM 983 CG LEU A 67 -5.902 6.947 -0.010 1.00 0.00 C ATOM 984 CD1 LEU A 67 -5.609 6.053 1.184 1.00 0.00 C ATOM 985 CD2 LEU A 67 -6.709 6.202 -1.060 1.00 0.00 C ATOM 0 H LEU A 67 -8.383 9.349 -0.828 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.385 6.965 0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.563 8.948 -0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.140 8.623 1.296 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.947 7.239 -0.448 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.080 5.161 0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.991 6.594 1.900 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.546 5.763 1.660 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.171 5.303 -1.362 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.677 5.923 -0.644 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.858 6.845 -1.928 1.00 0.00 H new ATOM 997 N LEU A 68 -7.965 9.597 2.603 1.00 0.00 N ATOM 998 CA LEU A 68 -8.156 10.065 3.984 1.00 0.00 C ATOM 999 C LEU A 68 -9.542 9.710 4.513 1.00 0.00 C ATOM 1000 O LEU A 68 -9.676 9.196 5.624 1.00 0.00 O ATOM 1001 CB LEU A 68 -7.933 11.569 4.083 1.00 0.00 C ATOM 1002 CG LEU A 68 -6.518 11.987 4.500 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -5.493 11.557 3.460 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -6.450 13.490 4.730 1.00 0.00 C ATOM 0 H LEU A 68 -7.490 10.262 1.993 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.416 9.555 4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.159 12.019 3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.644 11.980 4.800 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.279 11.483 5.437 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.498 11.866 3.780 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.519 10.473 3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.727 12.024 2.503 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.438 13.767 5.025 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.715 14.011 3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.148 13.769 5.520 1.00 0.00 H new ATOM 1016 N ASP A 69 -10.571 9.977 3.719 1.00 0.00 N ATOM 1017 CA ASP A 69 -11.935 9.670 4.130 1.00 0.00 C ATOM 1018 C ASP A 69 -12.070 8.184 4.441 1.00 0.00 C ATOM 1019 O ASP A 69 -12.394 7.801 5.562 1.00 0.00 O ATOM 1020 CB ASP A 69 -12.926 10.070 3.034 1.00 0.00 C ATOM 1021 CG ASP A 69 -14.368 9.954 3.487 1.00 0.00 C ATOM 1022 OD1 ASP A 69 -14.946 8.855 3.352 1.00 0.00 O ATOM 1023 OD2 ASP A 69 -14.919 10.962 3.976 1.00 0.00 O ATOM 0 H ASP A 69 -10.489 10.402 2.795 1.00 0.00 H new ATOM 0 HA ASP A 69 -12.162 10.241 5.031 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.727 11.096 2.725 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.771 9.438 2.160 1.00 0.00 H new ATOM 1028 N ALA A 70 -11.807 7.347 3.441 1.00 0.00 N ATOM 1029 CA ALA A 70 -11.893 5.901 3.615 1.00 0.00 C ATOM 1030 C ALA A 70 -10.780 5.377 4.524 1.00 0.00 C ATOM 1031 O ALA A 70 -10.773 4.203 4.891 1.00 0.00 O ATOM 1032 CB ALA A 70 -11.841 5.206 2.263 1.00 0.00 C ATOM 0 H ALA A 70 -11.533 7.645 2.505 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.846 5.679 4.095 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -11.906 4.127 2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.677 5.542 1.649 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.903 5.450 1.764 1.00 0.00 H new ATOM 1038 N LYS A 71 -9.844 6.250 4.889 1.00 0.00 N ATOM 1039 CA LYS A 71 -8.734 5.867 5.753 1.00 0.00 C ATOM 1040 C LYS A 71 -9.156 5.886 7.218 1.00 0.00 C ATOM 1041 O LYS A 71 -9.019 4.889 7.924 1.00 0.00 O ATOM 1042 CB LYS A 71 -7.555 6.815 5.537 1.00 0.00 C ATOM 1043 CG LYS A 71 -6.668 6.432 4.358 1.00 0.00 C ATOM 1044 CD LYS A 71 -5.268 7.008 4.496 1.00 0.00 C ATOM 1045 CE LYS A 71 -5.202 8.442 3.996 1.00 0.00 C ATOM 1046 NZ LYS A 71 -4.191 8.619 2.913 1.00 0.00 N ATOM 0 H LYS A 71 -9.834 7.228 4.599 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.432 4.852 5.496 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.936 7.824 5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.949 6.839 6.443 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.609 5.346 4.285 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.119 6.790 3.432 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.960 6.972 5.541 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.564 6.393 3.935 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.183 8.741 3.626 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.960 9.103 4.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.798 9.581 2.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.426 7.926 3.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.644 8.474 1.988 1.00 0.00 H new ATOM 1060 N VAL A 72 -9.679 7.024 7.667 1.00 0.00 N ATOM 1061 CA VAL A 72 -10.126 7.165 9.050 1.00 0.00 C ATOM 1062 C VAL A 72 -11.452 6.453 9.271 1.00 0.00 C ATOM 1063 O VAL A 72 -11.609 5.701 10.230 1.00 0.00 O ATOM 1064 CB VAL A 72 -10.278 8.643 9.461 1.00 0.00 C ATOM 1065 CG1 VAL A 72 -8.927 9.344 9.465 1.00 0.00 C ATOM 1066 CG2 VAL A 72 -11.257 9.365 8.546 1.00 0.00 C ATOM 0 H VAL A 72 -9.803 7.860 7.095 1.00 0.00 H new ATOM 0 HA VAL A 72 -9.356 6.708 9.671 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.680 8.671 10.474 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -9.058 10.386 9.758 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -8.262 8.849 10.173 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.491 9.300 8.467 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -11.346 10.406 8.857 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.894 9.323 7.519 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -12.233 8.884 8.605 1.00 0.00 H new ATOM 1076 N GLN A 73 -12.411 6.698 8.384 1.00 0.00 N ATOM 1077 CA GLN A 73 -13.726 6.078 8.494 1.00 0.00 C ATOM 1078 C GLN A 73 -13.604 4.569 8.645 1.00 0.00 C ATOM 1079 O GLN A 73 -14.110 3.994 9.605 1.00 0.00 O ATOM 1080 CB GLN A 73 -14.570 6.413 7.267 1.00 0.00 C ATOM 1081 CG GLN A 73 -14.738 7.905 7.037 1.00 0.00 C ATOM 1082 CD GLN A 73 -15.552 8.570 8.129 1.00 0.00 C ATOM 1083 OE1 GLN A 73 -16.679 8.163 8.413 1.00 0.00 O ATOM 1084 NE2 GLN A 73 -14.983 9.595 8.748 1.00 0.00 N ATOM 0 H GLN A 73 -12.302 7.320 7.583 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.216 6.474 9.384 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -14.109 5.967 6.386 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -15.554 5.957 7.377 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.756 8.374 6.983 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -15.223 8.069 6.075 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -14.047 9.897 8.479 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.481 10.081 9.493 1.00 0.00 H new ATOM 1093 N GLU A 74 -12.921 3.934 7.699 1.00 0.00 N ATOM 1094 CA GLU A 74 -12.734 2.491 7.739 1.00 0.00 C ATOM 1095 C GLU A 74 -11.874 2.091 8.931 1.00 0.00 C ATOM 1096 O GLU A 74 -12.172 1.122 9.623 1.00 0.00 O ATOM 1097 CB GLU A 74 -12.095 1.999 6.443 1.00 0.00 C ATOM 1098 CG GLU A 74 -11.864 0.498 6.416 1.00 0.00 C ATOM 1099 CD GLU A 74 -12.373 -0.156 5.146 1.00 0.00 C ATOM 1100 OE1 GLU A 74 -12.725 0.578 4.199 1.00 0.00 O ATOM 1101 OE2 GLU A 74 -12.423 -1.403 5.101 1.00 0.00 O ATOM 0 H GLU A 74 -12.489 4.395 6.898 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.714 2.025 7.847 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.733 2.276 5.604 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.142 2.508 6.300 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.797 0.298 6.519 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -12.358 0.044 7.275 1.00 0.00 H new ATOM 1108 N ALA A 75 -10.811 2.849 9.169 1.00 0.00 N ATOM 1109 CA ALA A 75 -9.914 2.572 10.282 1.00 0.00 C ATOM 1110 C ALA A 75 -10.655 2.638 11.610 1.00 0.00 C ATOM 1111 O ALA A 75 -10.432 1.818 12.498 1.00 0.00 O ATOM 1112 CB ALA A 75 -8.750 3.553 10.278 1.00 0.00 C ATOM 0 H ALA A 75 -10.550 3.659 8.607 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.525 1.561 10.161 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -8.087 3.335 11.115 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.197 3.458 9.343 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -9.131 4.570 10.373 1.00 0.00 H new ATOM 1118 N LEU A 76 -11.535 3.624 11.743 1.00 0.00 N ATOM 1119 CA LEU A 76 -12.305 3.804 12.965 1.00 0.00 C ATOM 1120 C LEU A 76 -13.538 2.902 12.988 1.00 0.00 C ATOM 1121 O LEU A 76 -13.956 2.439 14.051 1.00 0.00 O ATOM 1122 CB LEU A 76 -12.714 5.269 13.122 1.00 0.00 C ATOM 1123 CG LEU A 76 -11.593 6.207 13.571 1.00 0.00 C ATOM 1124 CD1 LEU A 76 -12.093 7.641 13.645 1.00 0.00 C ATOM 1125 CD2 LEU A 76 -11.027 5.763 14.915 1.00 0.00 C ATOM 0 H LEU A 76 -11.732 4.312 11.016 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.671 3.520 13.805 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -13.106 5.625 12.170 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.528 5.328 13.844 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.792 6.162 12.833 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.281 8.293 13.966 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -12.444 7.955 12.662 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -12.913 7.704 14.360 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.231 6.443 15.217 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.818 5.775 15.665 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.627 4.753 14.826 1.00 0.00 H new ATOM 1137 N GLU A 77 -14.119 2.648 11.817 1.00 0.00 N ATOM 1138 CA GLU A 77 -15.303 1.797 11.724 1.00 0.00 C ATOM 1139 C GLU A 77 -15.013 0.406 12.276 1.00 0.00 C ATOM 1140 O GLU A 77 -15.707 -0.078 13.171 1.00 0.00 O ATOM 1141 CB GLU A 77 -15.774 1.684 10.272 1.00 0.00 C ATOM 1142 CG GLU A 77 -17.276 1.833 10.101 1.00 0.00 C ATOM 1143 CD GLU A 77 -17.758 3.240 10.388 1.00 0.00 C ATOM 1144 OE1 GLU A 77 -17.016 3.998 11.050 1.00 0.00 O ATOM 1145 OE2 GLU A 77 -18.875 3.587 9.952 1.00 0.00 O ATOM 0 H GLU A 77 -13.791 3.017 10.924 1.00 0.00 H new ATOM 0 HA GLU A 77 -16.092 2.257 12.319 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.273 2.447 9.677 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -15.467 0.717 9.874 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -17.551 1.559 9.082 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.785 1.136 10.767 1.00 0.00 H new ATOM 1152 N VAL A 78 -13.984 -0.231 11.728 1.00 0.00 N ATOM 1153 CA VAL A 78 -13.603 -1.570 12.158 1.00 0.00 C ATOM 1154 C VAL A 78 -12.525 -1.525 13.241 1.00 0.00 C ATOM 1155 O VAL A 78 -12.644 -2.191 14.270 1.00 0.00 O ATOM 1156 CB VAL A 78 -13.124 -2.428 10.967 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -11.800 -1.919 10.419 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -13.023 -3.892 11.364 1.00 0.00 C ATOM 0 H VAL A 78 -13.401 0.158 10.987 1.00 0.00 H new ATOM 0 HA VAL A 78 -14.494 -2.034 12.581 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.865 -2.342 10.172 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.489 -2.543 9.581 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.918 -0.890 10.080 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.043 -1.959 11.202 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -12.684 -4.478 10.510 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -12.311 -3.999 12.183 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -14.001 -4.250 11.684 1.00 0.00 H new