USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=8 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 : no HE2:sc= -29.6! C(o=-40!,f=-38!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 138:sc= -10.5! (180deg=-8.36!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -2.38! K(o=-2.4!,f=-0.65) USER MOD Single : A 39 ASN : amide:sc= -0.0164 X(o=-0.016,f=-0.016) USER MOD Single : A 45 LYS NZ :NH3+ 152:sc= -0.037 (180deg=-0.32) USER MOD Single : A 47 THR OG1 : rot 62:sc= -0.123 USER MOD Single : A 49 MET CE :methyl 152:sc= -0.116 (180deg=-1.98) USER MOD Single : A 53 MET CE :methyl -167:sc= -0.0123 (180deg=-0.231) USER MOD Single : A 55 ASN : amide:sc= -1.09 K(o=-1.1,f=-2.5) USER MOD Single : A 60 ASN : amide:sc= -0.073 K(o=-0.073,f=-0.59) USER MOD Single : A 64 THR OG1 : rot 180:sc=0.000685 USER MOD Single : A 73 GLN : amide:sc= -0.438 X(o=-0.44,f=0) USER MOD ----------------------------------------------------------------- ATOM 362 N VAL A 26 6.573 2.781 -1.115 1.00 0.00 N ATOM 363 CA VAL A 26 6.455 4.233 -1.245 1.00 0.00 C ATOM 364 C VAL A 26 5.092 4.723 -0.768 1.00 0.00 C ATOM 365 O VAL A 26 5.001 5.682 -0.001 1.00 0.00 O ATOM 366 CB VAL A 26 6.699 4.696 -2.699 1.00 0.00 C ATOM 367 CG1 VAL A 26 5.472 4.483 -3.574 1.00 0.00 C ATOM 368 CG2 VAL A 26 7.132 6.155 -2.726 1.00 0.00 C ATOM 0 HA VAL A 26 7.226 4.670 -0.611 1.00 0.00 H new ATOM 0 HB VAL A 26 7.501 4.083 -3.110 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.685 4.821 -4.588 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.217 3.423 -3.591 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.634 5.052 -3.170 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.300 6.466 -3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 26 6.352 6.774 -2.283 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.055 6.271 -2.157 1.00 0.00 H new ATOM 378 N LEU A 27 4.035 4.060 -1.220 1.00 0.00 N ATOM 379 CA LEU A 27 2.681 4.433 -0.832 1.00 0.00 C ATOM 380 C LEU A 27 2.491 4.277 0.673 1.00 0.00 C ATOM 381 O LEU A 27 1.977 5.178 1.333 1.00 0.00 O ATOM 382 CB LEU A 27 1.651 3.582 -1.576 1.00 0.00 C ATOM 383 CG LEU A 27 1.786 3.573 -3.101 1.00 0.00 C ATOM 384 CD1 LEU A 27 0.628 2.816 -3.732 1.00 0.00 C ATOM 385 CD2 LEU A 27 1.865 4.992 -3.650 1.00 0.00 C ATOM 0 H LEU A 27 4.089 3.263 -1.854 1.00 0.00 H new ATOM 0 HA LEU A 27 2.531 5.479 -1.100 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.724 2.556 -1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.654 3.940 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 27 2.714 3.062 -3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.739 2.819 -4.816 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.625 1.788 -3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.312 3.298 -3.462 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.960 4.957 -4.735 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.959 5.537 -3.383 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.732 5.499 -3.225 1.00 0.00 H new ATOM 397 N GLY A 28 2.906 3.128 1.203 1.00 0.00 N ATOM 398 CA GLY A 28 2.772 2.873 2.626 1.00 0.00 C ATOM 399 C GLY A 28 3.540 3.866 3.471 1.00 0.00 C ATOM 400 O GLY A 28 2.990 4.458 4.399 1.00 0.00 O ATOM 0 H GLY A 28 3.333 2.370 0.671 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.717 2.908 2.900 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.125 1.865 2.845 1.00 0.00 H new ATOM 404 N GLU A 29 4.815 4.062 3.148 1.00 0.00 N ATOM 405 CA GLU A 29 5.644 5.002 3.893 1.00 0.00 C ATOM 406 C GLU A 29 5.000 6.382 3.889 1.00 0.00 C ATOM 407 O GLU A 29 4.758 6.970 4.943 1.00 0.00 O ATOM 408 CB GLU A 29 7.048 5.069 3.286 1.00 0.00 C ATOM 409 CG GLU A 29 7.811 3.756 3.366 1.00 0.00 C ATOM 410 CD GLU A 29 8.758 3.696 4.550 1.00 0.00 C ATOM 411 OE1 GLU A 29 8.676 4.585 5.423 1.00 0.00 O ATOM 412 OE2 GLU A 29 9.580 2.757 4.605 1.00 0.00 O ATOM 0 H GLU A 29 5.293 3.587 2.382 1.00 0.00 H new ATOM 0 HA GLU A 29 5.728 4.656 4.923 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.969 5.370 2.241 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.619 5.843 3.798 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.101 2.932 3.433 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.378 3.614 2.446 1.00 0.00 H new ATOM 419 N ARG A 30 4.712 6.886 2.695 1.00 0.00 N ATOM 420 CA ARG A 30 4.079 8.188 2.549 1.00 0.00 C ATOM 421 C ARG A 30 2.657 8.176 3.119 1.00 0.00 C ATOM 422 O ARG A 30 2.059 9.229 3.331 1.00 0.00 O ATOM 423 CB ARG A 30 4.041 8.601 1.075 1.00 0.00 C ATOM 424 CG ARG A 30 5.394 8.529 0.382 1.00 0.00 C ATOM 425 CD ARG A 30 6.134 9.855 0.461 1.00 0.00 C ATOM 426 NE ARG A 30 5.324 10.967 -0.036 1.00 0.00 N ATOM 427 CZ ARG A 30 5.472 11.525 -1.239 1.00 0.00 C ATOM 428 NH1 ARG A 30 6.387 11.068 -2.088 1.00 0.00 N ATOM 429 NH2 ARG A 30 4.700 12.541 -1.596 1.00 0.00 N ATOM 0 H ARG A 30 4.908 6.411 1.814 1.00 0.00 H new ATOM 0 HA ARG A 30 4.671 8.912 3.109 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.337 7.959 0.545 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.660 9.620 1.002 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.998 7.747 0.842 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.254 8.251 -0.663 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.420 10.049 1.495 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.055 9.791 -0.118 1.00 0.00 H new ATOM 0 HE ARG A 30 4.599 11.340 0.577 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.983 10.284 -1.822 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.493 11.501 -3.005 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.994 12.896 -0.951 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.812 12.968 -2.515 1.00 0.00 H new ATOM 443 N LEU A 31 2.116 6.977 3.354 1.00 0.00 N ATOM 444 CA LEU A 31 0.768 6.836 3.888 1.00 0.00 C ATOM 445 C LEU A 31 0.727 7.128 5.388 1.00 0.00 C ATOM 446 O LEU A 31 0.032 8.036 5.839 1.00 0.00 O ATOM 447 CB LEU A 31 0.253 5.422 3.615 1.00 0.00 C ATOM 448 CG LEU A 31 -1.034 5.344 2.794 1.00 0.00 C ATOM 449 CD1 LEU A 31 -0.774 4.709 1.438 1.00 0.00 C ATOM 450 CD2 LEU A 31 -2.110 4.576 3.552 1.00 0.00 C ATOM 0 H LEU A 31 2.595 6.093 3.181 1.00 0.00 H new ATOM 0 HA LEU A 31 0.127 7.563 3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.031 4.864 3.095 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.087 4.923 4.570 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.392 6.360 2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.705 4.665 0.873 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.045 5.306 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.386 3.700 1.577 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.018 4.532 2.950 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.760 3.564 3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.323 5.082 4.494 1.00 0.00 H new ATOM 462 N TYR A 32 1.472 6.336 6.154 1.00 0.00 N ATOM 463 CA TYR A 32 1.531 6.487 7.606 1.00 0.00 C ATOM 464 C TYR A 32 1.770 7.943 8.013 1.00 0.00 C ATOM 465 O TYR A 32 1.248 8.405 9.022 1.00 0.00 O ATOM 466 CB TYR A 32 2.647 5.594 8.166 1.00 0.00 C ATOM 467 CG TYR A 32 2.539 5.300 9.649 1.00 0.00 C ATOM 468 CD1 TYR A 32 2.598 6.326 10.583 1.00 0.00 C ATOM 469 CD2 TYR A 32 2.396 3.999 10.115 1.00 0.00 C ATOM 470 CE1 TYR A 32 2.513 6.065 11.939 1.00 0.00 C ATOM 471 CE2 TYR A 32 2.311 3.729 11.469 1.00 0.00 C ATOM 472 CZ TYR A 32 2.370 4.765 12.378 1.00 0.00 C ATOM 473 OH TYR A 32 2.284 4.499 13.726 1.00 0.00 O ATOM 0 H TYR A 32 2.048 5.577 5.790 1.00 0.00 H new ATOM 0 HA TYR A 32 0.570 6.183 8.020 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.646 4.650 7.621 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.607 6.072 7.973 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.712 7.345 10.245 1.00 0.00 H new ATOM 0 HD2 TYR A 32 2.350 3.184 9.408 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.558 6.876 12.651 1.00 0.00 H new ATOM 0 HE2 TYR A 32 2.199 2.711 11.813 1.00 0.00 H new ATOM 0 HH TYR A 32 2.185 3.534 13.863 1.00 0.00 H new ATOM 483 N ASN A 33 2.573 8.650 7.228 1.00 0.00 N ATOM 484 CA ASN A 33 2.909 10.048 7.511 1.00 0.00 C ATOM 485 C ASN A 33 1.723 10.988 7.332 1.00 0.00 C ATOM 486 O ASN A 33 1.563 11.935 8.100 1.00 0.00 O ATOM 487 CB ASN A 33 4.064 10.489 6.608 1.00 0.00 C ATOM 488 CG ASN A 33 4.308 11.987 6.638 1.00 0.00 C ATOM 489 OD1 ASN A 33 5.294 12.453 7.204 1.00 0.00 O ATOM 490 ND2 ASN A 33 3.401 12.750 6.028 1.00 0.00 N ATOM 0 H ASN A 33 3.009 8.279 6.384 1.00 0.00 H new ATOM 0 HA ASN A 33 3.204 10.105 8.559 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.974 9.973 6.915 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.853 10.182 5.584 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.511 13.764 6.019 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.597 12.320 5.570 1.00 0.00 H new ATOM 497 N HIS A 34 0.909 10.758 6.321 1.00 0.00 N ATOM 498 CA HIS A 34 -0.223 11.635 6.085 1.00 0.00 C ATOM 499 C HIS A 34 -1.177 11.591 7.273 1.00 0.00 C ATOM 500 O HIS A 34 -1.771 12.597 7.649 1.00 0.00 O ATOM 501 CB HIS A 34 -0.967 11.237 4.806 1.00 0.00 C ATOM 502 CG HIS A 34 -1.686 9.931 4.890 1.00 0.00 C ATOM 503 ND1 HIS A 34 -1.544 8.917 3.972 1.00 0.00 N ATOM 504 CD2 HIS A 34 -2.552 9.476 5.812 1.00 0.00 C ATOM 505 CE1 HIS A 34 -2.293 7.893 4.342 1.00 0.00 C ATOM 506 NE2 HIS A 34 -2.910 8.205 5.459 1.00 0.00 N ATOM 0 H HIS A 34 1.005 9.987 5.660 1.00 0.00 H new ATOM 0 HA HIS A 34 0.154 12.650 5.963 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.686 12.018 4.561 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.253 11.192 3.984 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -0.955 8.950 3.140 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -2.903 10.018 6.678 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -2.383 6.955 3.814 1.00 0.00 H new ATOM 515 N ILE A 35 -1.332 10.398 7.827 1.00 0.00 N ATOM 516 CA ILE A 35 -2.232 10.171 8.951 1.00 0.00 C ATOM 517 C ILE A 35 -1.518 10.205 10.300 1.00 0.00 C ATOM 518 O ILE A 35 -2.135 10.524 11.312 1.00 0.00 O ATOM 519 CB ILE A 35 -2.985 8.824 8.793 1.00 0.00 C ATOM 520 CG1 ILE A 35 -4.497 9.042 8.860 1.00 0.00 C ATOM 521 CG2 ILE A 35 -2.546 7.815 9.843 1.00 0.00 C ATOM 522 CD1 ILE A 35 -5.297 7.930 8.215 1.00 0.00 C ATOM 0 H ILE A 35 -0.840 9.562 7.513 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.947 10.994 8.938 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.733 8.417 7.814 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.797 9.136 9.904 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.742 9.985 8.372 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.093 6.883 9.703 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.477 7.627 9.742 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -2.753 8.211 10.837 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.361 8.151 8.300 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.026 7.850 7.162 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.081 6.987 8.718 1.00 0.00 H new ATOM 534 N VAL A 36 -0.236 9.851 10.339 1.00 0.00 N ATOM 535 CA VAL A 36 0.488 9.835 11.608 1.00 0.00 C ATOM 536 C VAL A 36 0.185 11.089 12.424 1.00 0.00 C ATOM 537 O VAL A 36 -0.164 11.007 13.600 1.00 0.00 O ATOM 538 CB VAL A 36 2.017 9.697 11.431 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.616 10.923 10.763 1.00 0.00 C ATOM 540 CG2 VAL A 36 2.677 9.446 12.779 1.00 0.00 C ATOM 0 H VAL A 36 0.314 9.577 9.525 1.00 0.00 H new ATOM 0 HA VAL A 36 0.137 8.952 12.141 1.00 0.00 H new ATOM 0 HB VAL A 36 2.205 8.845 10.778 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.692 10.789 10.655 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.167 11.057 9.779 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.419 11.803 11.375 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.754 9.350 12.644 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.468 10.281 13.448 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.282 8.527 13.212 1.00 0.00 H new ATOM 550 N ALA A 37 0.311 12.248 11.785 1.00 0.00 N ATOM 551 CA ALA A 37 0.042 13.519 12.442 1.00 0.00 C ATOM 552 C ALA A 37 -1.459 13.736 12.614 1.00 0.00 C ATOM 553 O ALA A 37 -1.891 14.490 13.484 1.00 0.00 O ATOM 554 CB ALA A 37 0.647 14.662 11.639 1.00 0.00 C ATOM 0 H ALA A 37 0.599 12.331 10.810 1.00 0.00 H new ATOM 0 HA ALA A 37 0.500 13.496 13.431 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.440 15.608 12.139 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.725 14.521 11.561 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.210 14.676 10.641 1.00 0.00 H new ATOM 560 N ILE A 38 -2.248 13.081 11.766 1.00 0.00 N ATOM 561 CA ILE A 38 -3.704 13.223 11.827 1.00 0.00 C ATOM 562 C ILE A 38 -4.348 12.176 12.732 1.00 0.00 C ATOM 563 O ILE A 38 -4.928 12.509 13.764 1.00 0.00 O ATOM 564 CB ILE A 38 -4.349 13.139 10.429 1.00 0.00 C ATOM 565 CG1 ILE A 38 -3.612 14.051 9.442 1.00 0.00 C ATOM 566 CG2 ILE A 38 -5.822 13.511 10.502 1.00 0.00 C ATOM 567 CD1 ILE A 38 -3.269 15.414 10.003 1.00 0.00 C ATOM 0 H ILE A 38 -1.911 12.453 11.036 1.00 0.00 H new ATOM 0 HA ILE A 38 -3.886 14.212 12.247 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.269 12.112 10.072 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.693 13.558 9.124 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.228 14.180 8.552 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.263 13.447 9.507 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.338 12.824 11.173 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.922 14.529 10.878 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.749 15.999 9.244 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.185 15.929 10.294 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.626 15.297 10.875 1.00 0.00 H new ATOM 579 N ASN A 39 -4.245 10.913 12.339 1.00 0.00 N ATOM 580 CA ASN A 39 -4.816 9.819 13.113 1.00 0.00 C ATOM 581 C ASN A 39 -3.739 8.798 13.483 1.00 0.00 C ATOM 582 O ASN A 39 -3.636 7.737 12.865 1.00 0.00 O ATOM 583 CB ASN A 39 -5.943 9.146 12.327 1.00 0.00 C ATOM 584 CG ASN A 39 -7.186 8.923 13.166 1.00 0.00 C ATOM 585 OD1 ASN A 39 -8.158 9.672 13.064 1.00 0.00 O ATOM 586 ND2 ASN A 39 -7.162 7.889 13.999 1.00 0.00 N ATOM 0 H ASN A 39 -3.769 10.620 11.485 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.229 10.228 14.035 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.197 9.762 11.464 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.592 8.188 11.943 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.971 7.689 14.587 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -6.335 7.295 14.050 1.00 0.00 H new ATOM 593 N PRO A 40 -2.918 9.112 14.500 1.00 0.00 N ATOM 594 CA PRO A 40 -1.842 8.222 14.952 1.00 0.00 C ATOM 595 C PRO A 40 -2.332 6.802 15.219 1.00 0.00 C ATOM 596 O PRO A 40 -1.592 5.836 15.035 1.00 0.00 O ATOM 597 CB PRO A 40 -1.363 8.873 16.249 1.00 0.00 C ATOM 598 CG PRO A 40 -1.723 10.311 16.119 1.00 0.00 C ATOM 599 CD PRO A 40 -2.975 10.357 15.286 1.00 0.00 C ATOM 0 HA PRO A 40 -1.062 8.115 14.198 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -1.845 8.423 17.117 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.288 8.746 16.380 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -1.890 10.760 17.098 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.918 10.872 15.644 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.869 10.397 15.909 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.995 11.236 14.642 1.00 0.00 H new ATOM 607 N ALA A 41 -3.581 6.684 15.655 1.00 0.00 N ATOM 608 CA ALA A 41 -4.169 5.381 15.949 1.00 0.00 C ATOM 609 C ALA A 41 -4.909 4.827 14.737 1.00 0.00 C ATOM 610 O ALA A 41 -6.038 4.348 14.847 1.00 0.00 O ATOM 611 CB ALA A 41 -5.103 5.483 17.146 1.00 0.00 C ATOM 0 H ALA A 41 -4.206 7.474 15.813 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.362 4.690 16.192 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.535 4.504 17.355 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.543 5.826 18.016 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.901 6.192 16.926 1.00 0.00 H new ATOM 617 N ALA A 42 -4.258 4.890 13.581 1.00 0.00 N ATOM 618 CA ALA A 42 -4.840 4.392 12.343 1.00 0.00 C ATOM 619 C ALA A 42 -3.753 4.120 11.318 1.00 0.00 C ATOM 620 O ALA A 42 -3.804 3.128 10.596 1.00 0.00 O ATOM 621 CB ALA A 42 -5.854 5.378 11.790 1.00 0.00 C ATOM 0 H ALA A 42 -3.323 5.283 13.477 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.356 3.457 12.560 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.276 4.985 10.865 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -6.651 5.527 12.518 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.363 6.330 11.589 1.00 0.00 H new ATOM 627 N ALA A 43 -2.756 5.009 11.270 1.00 0.00 N ATOM 628 CA ALA A 43 -1.636 4.871 10.343 1.00 0.00 C ATOM 629 C ALA A 43 -1.213 3.411 10.216 1.00 0.00 C ATOM 630 O ALA A 43 -1.138 2.870 9.117 1.00 0.00 O ATOM 631 CB ALA A 43 -0.464 5.717 10.813 1.00 0.00 C ATOM 0 H ALA A 43 -2.705 5.835 11.867 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.957 5.220 9.362 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.366 5.608 10.116 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.765 6.764 10.857 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.151 5.387 11.804 1.00 0.00 H new ATOM 637 N ALA A 44 -0.940 2.781 11.352 1.00 0.00 N ATOM 638 CA ALA A 44 -0.525 1.385 11.375 1.00 0.00 C ATOM 639 C ALA A 44 -1.487 0.500 10.582 1.00 0.00 C ATOM 640 O ALA A 44 -1.075 -0.464 9.938 1.00 0.00 O ATOM 641 CB ALA A 44 -0.411 0.892 12.808 1.00 0.00 C ATOM 0 H ALA A 44 -0.999 3.217 12.272 1.00 0.00 H new ATOM 0 HA ALA A 44 0.453 1.321 10.899 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.100 -0.153 12.810 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.327 1.491 13.341 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.378 0.984 13.302 1.00 0.00 H new ATOM 647 N LYS A 45 -2.772 0.833 10.645 1.00 0.00 N ATOM 648 CA LYS A 45 -3.800 0.071 9.944 1.00 0.00 C ATOM 649 C LYS A 45 -3.991 0.579 8.520 1.00 0.00 C ATOM 650 O LYS A 45 -4.020 -0.200 7.569 1.00 0.00 O ATOM 651 CB LYS A 45 -5.125 0.160 10.704 1.00 0.00 C ATOM 652 CG LYS A 45 -5.457 -1.093 11.495 1.00 0.00 C ATOM 653 CD LYS A 45 -6.036 -2.177 10.602 1.00 0.00 C ATOM 654 CE LYS A 45 -5.383 -3.523 10.864 1.00 0.00 C ATOM 655 NZ LYS A 45 -6.315 -4.653 10.600 1.00 0.00 N ATOM 0 H LYS A 45 -3.127 1.628 11.176 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.474 -0.968 9.895 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.087 1.010 11.385 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.929 0.355 9.994 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.557 -1.465 11.984 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.170 -0.849 12.283 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.110 -2.254 10.771 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.897 -1.901 9.557 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.499 -3.627 10.234 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.044 -3.567 11.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.770 -5.495 10.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -6.861 -4.861 11.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.966 -4.394 9.831 1.00 0.00 H new ATOM 669 N VAL A 46 -4.128 1.890 8.382 1.00 0.00 N ATOM 670 CA VAL A 46 -4.322 2.508 7.079 1.00 0.00 C ATOM 671 C VAL A 46 -3.089 2.355 6.198 1.00 0.00 C ATOM 672 O VAL A 46 -3.189 2.346 4.974 1.00 0.00 O ATOM 673 CB VAL A 46 -4.649 4.005 7.214 1.00 0.00 C ATOM 674 CG1 VAL A 46 -5.042 4.588 5.869 1.00 0.00 C ATOM 675 CG2 VAL A 46 -5.756 4.224 8.234 1.00 0.00 C ATOM 0 H VAL A 46 -4.108 2.549 9.161 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.162 1.993 6.613 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.754 4.519 7.565 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.270 5.648 5.984 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.218 4.468 5.166 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.921 4.067 5.490 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.972 5.289 8.314 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.654 3.695 7.915 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.437 3.845 9.205 1.00 0.00 H new ATOM 685 N THR A 47 -1.927 2.245 6.830 1.00 0.00 N ATOM 686 CA THR A 47 -0.667 2.101 6.108 1.00 0.00 C ATOM 687 C THR A 47 -0.462 0.665 5.628 1.00 0.00 C ATOM 688 O THR A 47 -0.226 0.422 4.446 1.00 0.00 O ATOM 689 CB THR A 47 0.499 2.521 7.009 1.00 0.00 C ATOM 690 OG1 THR A 47 0.374 3.881 7.387 1.00 0.00 O ATOM 691 CG2 THR A 47 1.856 2.354 6.361 1.00 0.00 C ATOM 0 H THR A 47 -1.830 2.253 7.845 1.00 0.00 H new ATOM 0 HA THR A 47 -0.703 2.748 5.231 1.00 0.00 H new ATOM 0 HB THR A 47 0.444 1.858 7.873 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.450 4.003 7.903 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.633 2.671 7.057 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.008 1.307 6.100 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.906 2.964 5.459 1.00 0.00 H new ATOM 699 N GLY A 48 -0.533 -0.276 6.562 1.00 0.00 N ATOM 700 CA GLY A 48 -0.328 -1.673 6.236 1.00 0.00 C ATOM 701 C GLY A 48 -1.500 -2.283 5.506 1.00 0.00 C ATOM 702 O GLY A 48 -1.340 -2.848 4.424 1.00 0.00 O ATOM 0 H GLY A 48 -0.730 -0.093 7.546 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.567 -1.770 5.621 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.147 -2.232 7.154 1.00 0.00 H new ATOM 706 N MET A 49 -2.681 -2.177 6.096 1.00 0.00 N ATOM 707 CA MET A 49 -3.876 -2.731 5.486 1.00 0.00 C ATOM 708 C MET A 49 -4.200 -2.001 4.195 1.00 0.00 C ATOM 709 O MET A 49 -4.419 -2.639 3.171 1.00 0.00 O ATOM 710 CB MET A 49 -5.065 -2.663 6.447 1.00 0.00 C ATOM 711 CG MET A 49 -4.838 -3.412 7.752 1.00 0.00 C ATOM 712 SD MET A 49 -4.348 -5.130 7.497 1.00 0.00 S ATOM 713 CE MET A 49 -2.569 -5.006 7.665 1.00 0.00 C ATOM 0 H MET A 49 -2.835 -1.715 6.992 1.00 0.00 H new ATOM 0 HA MET A 49 -3.683 -3.779 5.257 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.281 -1.618 6.670 1.00 0.00 H new ATOM 0 HB3 MET A 49 -5.946 -3.072 5.952 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.067 -2.901 8.329 1.00 0.00 H new ATOM 0 HG3 MET A 49 -5.752 -3.384 8.345 1.00 0.00 H new ATOM 0 HE1 MET A 49 -2.171 -5.954 8.026 1.00 0.00 H new ATOM 0 HE2 MET A 49 -2.127 -4.772 6.696 1.00 0.00 H new ATOM 0 HE3 MET A 49 -2.325 -4.216 8.375 1.00 0.00 H new ATOM 723 N LEU A 50 -4.250 -0.661 4.266 1.00 0.00 N ATOM 724 CA LEU A 50 -4.574 0.201 3.114 1.00 0.00 C ATOM 725 C LEU A 50 -5.274 -0.554 1.986 1.00 0.00 C ATOM 726 O LEU A 50 -6.444 -0.306 1.694 1.00 0.00 O ATOM 727 CB LEU A 50 -3.302 0.851 2.566 1.00 0.00 C ATOM 728 CG LEU A 50 -3.488 1.674 1.285 1.00 0.00 C ATOM 729 CD1 LEU A 50 -4.196 2.992 1.580 1.00 0.00 C ATOM 730 CD2 LEU A 50 -2.145 1.925 0.614 1.00 0.00 C ATOM 0 H LEU A 50 -4.067 -0.142 5.125 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.263 0.961 3.481 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.883 1.498 3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.568 0.069 2.373 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.115 1.101 0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.315 3.556 0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.177 2.790 2.011 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.603 3.574 2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.295 2.510 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.494 2.473 1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.682 0.972 0.358 1.00 0.00 H new ATOM 742 N LEU A 51 -4.550 -1.469 1.352 1.00 0.00 N ATOM 743 CA LEU A 51 -5.094 -2.253 0.256 1.00 0.00 C ATOM 744 C LEU A 51 -6.157 -3.227 0.750 1.00 0.00 C ATOM 745 O LEU A 51 -5.947 -4.441 0.765 1.00 0.00 O ATOM 746 CB LEU A 51 -3.966 -3.004 -0.455 1.00 0.00 C ATOM 747 CG LEU A 51 -3.009 -2.114 -1.258 1.00 0.00 C ATOM 748 CD1 LEU A 51 -1.620 -2.113 -0.637 1.00 0.00 C ATOM 749 CD2 LEU A 51 -2.947 -2.568 -2.711 1.00 0.00 C ATOM 0 H LEU A 51 -3.580 -1.685 1.582 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.571 -1.573 -0.451 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.390 -3.555 0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.406 -3.740 -1.128 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.392 -1.094 -1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.959 -1.475 -1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.678 -1.734 0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.226 -3.129 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.263 -1.924 -3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.592 -3.598 -2.756 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.941 -2.507 -3.154 1.00 0.00 H new ATOM 761 N GLU A 52 -7.304 -2.684 1.148 1.00 0.00 N ATOM 762 CA GLU A 52 -8.407 -3.495 1.637 1.00 0.00 C ATOM 763 C GLU A 52 -9.364 -3.839 0.500 1.00 0.00 C ATOM 764 O GLU A 52 -9.126 -3.485 -0.654 1.00 0.00 O ATOM 765 CB GLU A 52 -9.167 -2.755 2.738 1.00 0.00 C ATOM 766 CG GLU A 52 -8.421 -2.691 4.061 1.00 0.00 C ATOM 767 CD GLU A 52 -7.968 -4.055 4.542 1.00 0.00 C ATOM 768 OE1 GLU A 52 -8.779 -4.761 5.176 1.00 0.00 O ATOM 769 OE2 GLU A 52 -6.802 -4.419 4.279 1.00 0.00 O ATOM 0 H GLU A 52 -7.491 -1.681 1.140 1.00 0.00 H new ATOM 0 HA GLU A 52 -7.994 -4.417 2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.379 -1.740 2.401 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.128 -3.245 2.896 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.553 -2.041 3.953 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.065 -2.239 4.815 1.00 0.00 H new ATOM 776 N MET A 53 -10.441 -4.538 0.828 1.00 0.00 N ATOM 777 CA MET A 53 -11.420 -4.930 -0.175 1.00 0.00 C ATOM 778 C MET A 53 -12.140 -3.708 -0.743 1.00 0.00 C ATOM 779 O MET A 53 -12.061 -3.427 -1.941 1.00 0.00 O ATOM 780 CB MET A 53 -12.438 -5.902 0.426 1.00 0.00 C ATOM 781 CG MET A 53 -11.816 -6.964 1.321 1.00 0.00 C ATOM 782 SD MET A 53 -10.534 -7.914 0.484 1.00 0.00 S ATOM 783 CE MET A 53 -11.503 -8.777 -0.749 1.00 0.00 C ATOM 0 H MET A 53 -10.658 -4.844 1.776 1.00 0.00 H new ATOM 0 HA MET A 53 -10.889 -5.427 -0.987 1.00 0.00 H new ATOM 0 HB2 MET A 53 -13.170 -5.337 1.003 1.00 0.00 H new ATOM 0 HB3 MET A 53 -12.980 -6.393 -0.383 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.391 -6.486 2.204 1.00 0.00 H new ATOM 0 HG3 MET A 53 -12.595 -7.641 1.670 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.903 -9.572 -1.192 1.00 0.00 H new ATOM 0 HE2 MET A 53 -12.387 -9.209 -0.280 1.00 0.00 H new ATOM 0 HE3 MET A 53 -11.810 -8.077 -1.526 1.00 0.00 H new ATOM 793 N ASP A 54 -12.835 -2.976 0.123 1.00 0.00 N ATOM 794 CA ASP A 54 -13.564 -1.786 -0.304 1.00 0.00 C ATOM 795 C ASP A 54 -12.668 -0.548 -0.300 1.00 0.00 C ATOM 796 O ASP A 54 -12.233 -0.093 -1.357 1.00 0.00 O ATOM 797 CB ASP A 54 -14.800 -1.569 0.565 1.00 0.00 C ATOM 798 CG ASP A 54 -14.530 -1.733 2.050 1.00 0.00 C ATOM 799 OD1 ASP A 54 -13.935 -2.760 2.436 1.00 0.00 O ATOM 800 OD2 ASP A 54 -14.915 -0.832 2.825 1.00 0.00 O ATOM 0 H ASP A 54 -12.909 -3.184 1.119 1.00 0.00 H new ATOM 0 HA ASP A 54 -13.892 -1.949 -1.331 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.192 -0.568 0.383 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.575 -2.274 0.264 1.00 0.00 H new ATOM 805 N ASN A 55 -12.400 0.006 0.880 1.00 0.00 N ATOM 806 CA ASN A 55 -11.557 1.196 0.993 1.00 0.00 C ATOM 807 C ASN A 55 -10.284 1.046 0.168 1.00 0.00 C ATOM 808 O ASN A 55 -9.724 2.031 -0.312 1.00 0.00 O ATOM 809 CB ASN A 55 -11.198 1.461 2.459 1.00 0.00 C ATOM 810 CG ASN A 55 -10.150 2.547 2.615 1.00 0.00 C ATOM 811 OD1 ASN A 55 -10.169 3.551 1.902 1.00 0.00 O ATOM 812 ND2 ASN A 55 -9.224 2.350 3.547 1.00 0.00 N ATOM 0 H ASN A 55 -12.752 -0.348 1.769 1.00 0.00 H new ATOM 0 HA ASN A 55 -12.122 2.043 0.605 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.098 1.748 3.003 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.832 0.540 2.912 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -8.492 3.045 3.694 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.245 1.504 4.116 1.00 0.00 H new ATOM 819 N GLY A 56 -9.829 -0.193 0.009 1.00 0.00 N ATOM 820 CA GLY A 56 -8.626 -0.440 -0.757 1.00 0.00 C ATOM 821 C GLY A 56 -8.749 0.012 -2.197 1.00 0.00 C ATOM 822 O GLY A 56 -8.015 0.894 -2.642 1.00 0.00 O ATOM 0 H GLY A 56 -10.272 -1.026 0.396 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.789 0.077 -0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.397 -1.505 -0.733 1.00 0.00 H new ATOM 826 N GLU A 57 -9.673 -0.602 -2.936 1.00 0.00 N ATOM 827 CA GLU A 57 -9.879 -0.258 -4.344 1.00 0.00 C ATOM 828 C GLU A 57 -9.695 1.237 -4.593 1.00 0.00 C ATOM 829 O GLU A 57 -8.958 1.641 -5.489 1.00 0.00 O ATOM 830 CB GLU A 57 -11.275 -0.668 -4.792 1.00 0.00 C ATOM 831 CG GLU A 57 -11.586 -2.141 -4.580 1.00 0.00 C ATOM 832 CD GLU A 57 -11.386 -2.969 -5.835 1.00 0.00 C ATOM 833 OE1 GLU A 57 -12.335 -3.063 -6.640 1.00 0.00 O ATOM 834 OE2 GLU A 57 -10.278 -3.521 -6.011 1.00 0.00 O ATOM 0 H GLU A 57 -10.288 -1.336 -2.586 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.130 -0.801 -4.920 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.009 -0.071 -4.251 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.390 -0.432 -5.850 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.949 -2.532 -3.787 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.617 -2.245 -4.242 1.00 0.00 H new ATOM 841 N ILE A 58 -10.368 2.052 -3.787 1.00 0.00 N ATOM 842 CA ILE A 58 -10.273 3.499 -3.916 1.00 0.00 C ATOM 843 C ILE A 58 -8.816 3.951 -3.812 1.00 0.00 C ATOM 844 O ILE A 58 -8.355 4.781 -4.594 1.00 0.00 O ATOM 845 CB ILE A 58 -11.124 4.205 -2.837 1.00 0.00 C ATOM 846 CG1 ILE A 58 -12.603 3.859 -3.031 1.00 0.00 C ATOM 847 CG2 ILE A 58 -10.918 5.715 -2.872 1.00 0.00 C ATOM 848 CD1 ILE A 58 -13.479 4.262 -1.868 1.00 0.00 C ATOM 0 H ILE A 58 -10.984 1.734 -3.039 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.659 3.776 -4.897 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.801 3.850 -1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.966 4.349 -3.935 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.698 2.785 -3.191 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -11.530 6.184 -2.101 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.868 5.943 -2.690 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -11.209 6.099 -3.850 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.512 3.985 -2.078 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -13.143 3.752 -0.965 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -13.415 5.340 -1.721 1.00 0.00 H new ATOM 860 N LEU A 59 -8.105 3.392 -2.834 1.00 0.00 N ATOM 861 CA LEU A 59 -6.699 3.714 -2.601 1.00 0.00 C ATOM 862 C LEU A 59 -5.945 3.936 -3.910 1.00 0.00 C ATOM 863 O LEU A 59 -5.050 4.775 -3.989 1.00 0.00 O ATOM 864 CB LEU A 59 -6.037 2.580 -1.811 1.00 0.00 C ATOM 865 CG LEU A 59 -5.408 1.466 -2.662 1.00 0.00 C ATOM 866 CD1 LEU A 59 -3.994 1.843 -3.082 1.00 0.00 C ATOM 867 CD2 LEU A 59 -5.389 0.159 -1.896 1.00 0.00 C ATOM 0 H LEU A 59 -8.486 2.705 -2.183 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.657 4.642 -2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.264 3.007 -1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.783 2.134 -1.153 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.016 1.340 -3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.567 1.041 -3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.021 2.761 -3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.380 1.997 -2.195 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.940 -0.619 -2.514 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.804 0.280 -0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.409 -0.126 -1.638 1.00 0.00 H new ATOM 879 N ASN A 60 -6.310 3.166 -4.932 1.00 0.00 N ATOM 880 CA ASN A 60 -5.660 3.265 -6.239 1.00 0.00 C ATOM 881 C ASN A 60 -5.483 4.719 -6.674 1.00 0.00 C ATOM 882 O ASN A 60 -4.580 5.037 -7.448 1.00 0.00 O ATOM 883 CB ASN A 60 -6.465 2.497 -7.291 1.00 0.00 C ATOM 884 CG ASN A 60 -5.616 1.496 -8.050 1.00 0.00 C ATOM 885 OD1 ASN A 60 -4.425 1.718 -8.270 1.00 0.00 O ATOM 886 ND2 ASN A 60 -6.226 0.389 -8.453 1.00 0.00 N ATOM 0 H ASN A 60 -7.051 2.467 -4.882 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.669 2.821 -6.148 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.289 1.975 -6.805 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.906 3.203 -7.995 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.706 -0.321 -8.968 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.215 0.248 -8.248 1.00 0.00 H new ATOM 893 N LEU A 61 -6.348 5.600 -6.180 1.00 0.00 N ATOM 894 CA LEU A 61 -6.276 7.013 -6.529 1.00 0.00 C ATOM 895 C LEU A 61 -5.944 7.868 -5.309 1.00 0.00 C ATOM 896 O LEU A 61 -6.620 8.860 -5.044 1.00 0.00 O ATOM 897 CB LEU A 61 -7.604 7.476 -7.135 1.00 0.00 C ATOM 898 CG LEU A 61 -8.274 6.472 -8.080 1.00 0.00 C ATOM 899 CD1 LEU A 61 -9.695 6.170 -7.622 1.00 0.00 C ATOM 900 CD2 LEU A 61 -8.273 6.997 -9.508 1.00 0.00 C ATOM 0 H LEU A 61 -7.104 5.360 -5.539 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.479 7.135 -7.262 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.295 7.705 -6.324 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.433 8.405 -7.679 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.701 5.545 -8.055 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -10.154 5.456 -8.306 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.671 5.747 -6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -10.278 7.091 -7.615 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.753 6.270 -10.163 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.819 7.939 -9.550 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.246 7.158 -9.836 1.00 0.00 H new ATOM 912 N LEU A 62 -4.906 7.464 -4.565 1.00 0.00 N ATOM 913 CA LEU A 62 -4.474 8.173 -3.354 1.00 0.00 C ATOM 914 C LEU A 62 -4.789 9.673 -3.410 1.00 0.00 C ATOM 915 O LEU A 62 -3.953 10.479 -3.816 1.00 0.00 O ATOM 916 CB LEU A 62 -2.972 7.965 -3.133 1.00 0.00 C ATOM 917 CG LEU A 62 -2.554 6.522 -2.853 1.00 0.00 C ATOM 918 CD1 LEU A 62 -1.214 6.214 -3.502 1.00 0.00 C ATOM 919 CD2 LEU A 62 -2.500 6.261 -1.356 1.00 0.00 C ATOM 0 H LEU A 62 -4.345 6.641 -4.784 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.034 7.754 -2.518 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.438 8.317 -4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.653 8.588 -2.298 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.302 5.859 -3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.936 5.182 -3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.291 6.355 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.453 6.884 -3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.201 5.228 -1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.776 6.934 -0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.484 6.434 -0.921 1.00 0.00 H new ATOM 931 N ASP A 63 -6.011 10.027 -3.014 1.00 0.00 N ATOM 932 CA ASP A 63 -6.460 11.419 -3.032 1.00 0.00 C ATOM 933 C ASP A 63 -6.422 12.038 -1.637 1.00 0.00 C ATOM 934 O ASP A 63 -6.255 11.340 -0.641 1.00 0.00 O ATOM 935 CB ASP A 63 -7.876 11.507 -3.605 1.00 0.00 C ATOM 936 CG ASP A 63 -7.906 12.144 -4.981 1.00 0.00 C ATOM 937 OD1 ASP A 63 -7.485 13.313 -5.103 1.00 0.00 O ATOM 938 OD2 ASP A 63 -8.352 11.472 -5.935 1.00 0.00 O ATOM 0 H ASP A 63 -6.710 9.366 -2.675 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.776 11.982 -3.667 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -8.305 10.506 -3.662 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -8.504 12.085 -2.927 1.00 0.00 H new ATOM 943 N THR A 64 -6.580 13.356 -1.574 1.00 0.00 N ATOM 944 CA THR A 64 -6.560 14.056 -0.299 1.00 0.00 C ATOM 945 C THR A 64 -7.850 13.807 0.476 1.00 0.00 C ATOM 946 O THR A 64 -7.810 13.386 1.623 1.00 0.00 O ATOM 947 CB THR A 64 -6.345 15.558 -0.503 1.00 0.00 C ATOM 948 OG1 THR A 64 -5.509 15.802 -1.620 1.00 0.00 O ATOM 949 CG2 THR A 64 -5.719 16.236 0.697 1.00 0.00 C ATOM 0 H THR A 64 -6.722 13.956 -2.387 1.00 0.00 H new ATOM 0 HA THR A 64 -5.725 13.665 0.283 1.00 0.00 H new ATOM 0 HB THR A 64 -7.340 15.974 -0.661 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.387 16.768 -1.732 1.00 0.00 H new ATOM 0 HG21 THR A 64 -5.593 17.299 0.490 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.366 16.110 1.565 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.747 15.788 0.902 1.00 0.00 H new ATOM 957 N PRO A 65 -9.020 14.063 -0.136 1.00 0.00 N ATOM 958 CA PRO A 65 -10.303 13.850 0.528 1.00 0.00 C ATOM 959 C PRO A 65 -10.698 12.373 0.590 1.00 0.00 C ATOM 960 O PRO A 65 -10.827 11.802 1.673 1.00 0.00 O ATOM 961 CB PRO A 65 -11.290 14.640 -0.330 1.00 0.00 C ATOM 962 CG PRO A 65 -10.671 14.722 -1.686 1.00 0.00 C ATOM 963 CD PRO A 65 -9.179 14.571 -1.513 1.00 0.00 C ATOM 0 HA PRO A 65 -10.276 14.173 1.569 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -12.259 14.142 -0.371 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.460 15.634 0.084 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.063 13.939 -2.335 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -10.908 15.675 -2.159 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.762 13.877 -2.243 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.665 15.523 -1.648 1.00 0.00 H new ATOM 971 N GLY A 66 -10.904 11.768 -0.577 1.00 0.00 N ATOM 972 CA GLY A 66 -11.301 10.372 -0.641 1.00 0.00 C ATOM 973 C GLY A 66 -10.481 9.476 0.264 1.00 0.00 C ATOM 974 O GLY A 66 -11.028 8.794 1.132 1.00 0.00 O ATOM 0 H GLY A 66 -10.802 12.223 -1.484 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -12.353 10.287 -0.369 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.209 10.022 -1.669 1.00 0.00 H new ATOM 978 N LEU A 67 -9.172 9.475 0.060 1.00 0.00 N ATOM 979 CA LEU A 67 -8.275 8.656 0.861 1.00 0.00 C ATOM 980 C LEU A 67 -8.380 9.023 2.342 1.00 0.00 C ATOM 981 O LEU A 67 -8.841 8.224 3.154 1.00 0.00 O ATOM 982 CB LEU A 67 -6.846 8.831 0.344 1.00 0.00 C ATOM 983 CG LEU A 67 -6.193 7.575 -0.249 1.00 0.00 C ATOM 984 CD1 LEU A 67 -5.672 6.654 0.843 1.00 0.00 C ATOM 985 CD2 LEU A 67 -7.173 6.834 -1.149 1.00 0.00 C ATOM 0 H LEU A 67 -8.707 10.034 -0.655 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.560 7.608 0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.848 9.611 -0.418 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -6.224 9.188 1.165 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.342 7.896 -0.850 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.216 5.774 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.928 7.182 1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -6.498 6.345 1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.691 5.947 -1.559 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.046 6.537 -0.569 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.484 7.488 -1.964 1.00 0.00 H new ATOM 997 N LEU A 68 -7.952 10.236 2.696 1.00 0.00 N ATOM 998 CA LEU A 68 -8.004 10.688 4.093 1.00 0.00 C ATOM 999 C LEU A 68 -9.366 10.419 4.730 1.00 0.00 C ATOM 1000 O LEU A 68 -9.464 10.259 5.948 1.00 0.00 O ATOM 1001 CB LEU A 68 -7.660 12.180 4.199 1.00 0.00 C ATOM 1002 CG LEU A 68 -6.310 12.496 4.854 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -5.206 12.540 3.804 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -6.376 13.812 5.614 1.00 0.00 C ATOM 0 H LEU A 68 -7.568 10.920 2.044 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.258 10.112 4.641 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.669 12.610 3.197 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.446 12.678 4.767 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.080 11.702 5.565 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.255 12.765 4.286 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.140 11.573 3.305 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -5.433 13.313 3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.408 14.017 6.071 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.630 14.618 4.925 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.137 13.746 6.391 1.00 0.00 H new ATOM 1016 N ASP A 69 -10.409 10.360 3.914 1.00 0.00 N ATOM 1017 CA ASP A 69 -11.753 10.101 4.423 1.00 0.00 C ATOM 1018 C ASP A 69 -11.950 8.611 4.682 1.00 0.00 C ATOM 1019 O ASP A 69 -12.234 8.196 5.806 1.00 0.00 O ATOM 1020 CB ASP A 69 -12.805 10.605 3.435 1.00 0.00 C ATOM 1021 CG ASP A 69 -13.126 12.075 3.634 1.00 0.00 C ATOM 1022 OD1 ASP A 69 -12.257 12.919 3.335 1.00 0.00 O ATOM 1023 OD2 ASP A 69 -14.248 12.379 4.090 1.00 0.00 O ATOM 0 H ASP A 69 -10.354 10.487 2.903 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.871 10.637 5.365 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -12.449 10.448 2.417 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -13.717 10.018 3.548 1.00 0.00 H new ATOM 1028 N ALA A 70 -11.793 7.812 3.630 1.00 0.00 N ATOM 1029 CA ALA A 70 -11.948 6.364 3.729 1.00 0.00 C ATOM 1030 C ALA A 70 -10.774 5.714 4.466 1.00 0.00 C ATOM 1031 O ALA A 70 -10.782 4.509 4.711 1.00 0.00 O ATOM 1032 CB ALA A 70 -12.097 5.757 2.342 1.00 0.00 C ATOM 0 H ALA A 70 -11.557 8.145 2.695 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.850 6.168 4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.212 4.677 2.428 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.976 6.178 1.853 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -11.210 5.981 1.749 1.00 0.00 H new ATOM 1038 N LYS A 71 -9.766 6.512 4.811 1.00 0.00 N ATOM 1039 CA LYS A 71 -8.594 6.000 5.512 1.00 0.00 C ATOM 1040 C LYS A 71 -8.850 5.889 7.009 1.00 0.00 C ATOM 1041 O LYS A 71 -8.688 4.821 7.601 1.00 0.00 O ATOM 1042 CB LYS A 71 -7.404 6.925 5.265 1.00 0.00 C ATOM 1043 CG LYS A 71 -6.612 6.574 4.021 1.00 0.00 C ATOM 1044 CD LYS A 71 -5.195 7.120 4.092 1.00 0.00 C ATOM 1045 CE LYS A 71 -5.098 8.507 3.481 1.00 0.00 C ATOM 1046 NZ LYS A 71 -4.980 9.568 4.513 1.00 0.00 N ATOM 0 H LYS A 71 -9.738 7.513 4.617 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.377 5.003 5.128 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.763 7.951 5.180 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.741 6.890 6.130 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.580 5.491 3.902 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -7.115 6.977 3.142 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.870 7.157 5.132 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.518 6.444 3.570 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.234 8.550 2.818 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -5.980 8.695 2.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -4.272 10.268 4.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -5.900 10.037 4.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.685 9.143 5.415 1.00 0.00 H new ATOM 1060 N VAL A 72 -9.247 7.002 7.619 1.00 0.00 N ATOM 1061 CA VAL A 72 -9.524 7.035 9.050 1.00 0.00 C ATOM 1062 C VAL A 72 -10.777 6.242 9.387 1.00 0.00 C ATOM 1063 O VAL A 72 -10.803 5.485 10.356 1.00 0.00 O ATOM 1064 CB VAL A 72 -9.710 8.478 9.564 1.00 0.00 C ATOM 1065 CG1 VAL A 72 -8.367 9.180 9.705 1.00 0.00 C ATOM 1066 CG2 VAL A 72 -10.647 9.265 8.653 1.00 0.00 C ATOM 0 H VAL A 72 -9.384 7.894 7.143 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.659 6.587 9.539 1.00 0.00 H new ATOM 0 HB VAL A 72 -10.168 8.428 10.552 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.524 10.196 10.069 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.743 8.633 10.412 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.871 9.214 8.735 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.761 10.279 9.037 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.229 9.303 7.647 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -11.621 8.776 8.623 1.00 0.00 H new ATOM 1076 N GLN A 73 -11.817 6.433 8.588 1.00 0.00 N ATOM 1077 CA GLN A 73 -13.088 5.758 8.801 1.00 0.00 C ATOM 1078 C GLN A 73 -12.962 4.246 8.618 1.00 0.00 C ATOM 1079 O GLN A 73 -13.738 3.481 9.187 1.00 0.00 O ATOM 1080 CB GLN A 73 -14.135 6.331 7.848 1.00 0.00 C ATOM 1081 CG GLN A 73 -14.166 7.854 7.831 1.00 0.00 C ATOM 1082 CD GLN A 73 -14.920 8.439 9.010 1.00 0.00 C ATOM 1083 OE1 GLN A 73 -16.008 8.990 8.853 1.00 0.00 O ATOM 1084 NE2 GLN A 73 -14.343 8.323 10.200 1.00 0.00 N ATOM 0 H GLN A 73 -11.804 7.055 7.780 1.00 0.00 H new ATOM 0 HA GLN A 73 -13.401 5.932 9.831 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.936 5.967 6.840 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -15.119 5.958 8.133 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.144 8.234 7.834 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.629 8.193 6.905 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -13.439 7.858 10.285 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -14.804 8.699 11.029 1.00 0.00 H new ATOM 1093 N GLU A 74 -11.980 3.817 7.829 1.00 0.00 N ATOM 1094 CA GLU A 74 -11.765 2.396 7.593 1.00 0.00 C ATOM 1095 C GLU A 74 -10.977 1.774 8.739 1.00 0.00 C ATOM 1096 O GLU A 74 -11.233 0.638 9.140 1.00 0.00 O ATOM 1097 CB GLU A 74 -11.025 2.185 6.278 1.00 0.00 C ATOM 1098 CG GLU A 74 -10.823 0.721 5.920 1.00 0.00 C ATOM 1099 CD GLU A 74 -9.417 0.235 6.221 1.00 0.00 C ATOM 1100 OE1 GLU A 74 -8.457 0.984 5.946 1.00 0.00 O ATOM 1101 OE2 GLU A 74 -9.278 -0.897 6.731 1.00 0.00 O ATOM 0 H GLU A 74 -11.325 4.431 7.345 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.738 1.908 7.535 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -11.580 2.673 5.477 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.052 2.674 6.336 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.540 0.113 6.473 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.034 0.577 4.860 1.00 0.00 H new ATOM 1108 N ALA A 75 -10.023 2.532 9.266 1.00 0.00 N ATOM 1109 CA ALA A 75 -9.197 2.064 10.372 1.00 0.00 C ATOM 1110 C ALA A 75 -9.926 2.237 11.700 1.00 0.00 C ATOM 1111 O ALA A 75 -9.801 1.408 12.601 1.00 0.00 O ATOM 1112 CB ALA A 75 -7.870 2.807 10.390 1.00 0.00 C ATOM 0 H ALA A 75 -9.802 3.475 8.945 1.00 0.00 H new ATOM 0 HA ALA A 75 -8.999 1.002 10.229 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.263 2.448 11.221 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.342 2.632 9.453 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.053 3.875 10.509 1.00 0.00 H new ATOM 1118 N LEU A 76 -10.694 3.316 11.812 1.00 0.00 N ATOM 1119 CA LEU A 76 -11.446 3.593 13.031 1.00 0.00 C ATOM 1120 C LEU A 76 -12.592 2.600 13.190 1.00 0.00 C ATOM 1121 O LEU A 76 -12.902 2.166 14.299 1.00 0.00 O ATOM 1122 CB LEU A 76 -11.989 5.025 13.015 1.00 0.00 C ATOM 1123 CG LEU A 76 -11.064 6.078 13.630 1.00 0.00 C ATOM 1124 CD1 LEU A 76 -11.762 7.430 13.688 1.00 0.00 C ATOM 1125 CD2 LEU A 76 -10.615 5.649 15.020 1.00 0.00 C ATOM 0 H LEU A 76 -10.812 4.012 11.075 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.770 3.486 13.880 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -12.198 5.306 11.983 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.939 5.043 13.549 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.181 6.172 12.998 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.091 8.167 14.128 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -12.034 7.743 12.680 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -12.662 7.349 14.298 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.958 6.410 15.441 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.487 5.526 15.662 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.078 4.703 14.953 1.00 0.00 H new ATOM 1137 N GLU A 77 -13.212 2.238 12.070 1.00 0.00 N ATOM 1138 CA GLU A 77 -14.318 1.289 12.086 1.00 0.00 C ATOM 1139 C GLU A 77 -13.814 -0.106 12.438 1.00 0.00 C ATOM 1140 O GLU A 77 -14.444 -0.829 13.209 1.00 0.00 O ATOM 1141 CB GLU A 77 -15.019 1.263 10.725 1.00 0.00 C ATOM 1142 CG GLU A 77 -16.373 0.574 10.753 1.00 0.00 C ATOM 1143 CD GLU A 77 -17.132 0.729 9.448 1.00 0.00 C ATOM 1144 OE1 GLU A 77 -16.481 0.758 8.382 1.00 0.00 O ATOM 1145 OE2 GLU A 77 -18.376 0.825 9.494 1.00 0.00 O ATOM 0 H GLU A 77 -12.967 2.587 11.143 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.034 1.607 12.844 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.148 2.286 10.372 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.377 0.756 10.004 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.233 -0.486 10.964 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.969 0.985 11.567 1.00 0.00 H new ATOM 1152 N VAL A 78 -12.672 -0.470 11.870 1.00 0.00 N ATOM 1153 CA VAL A 78 -12.068 -1.772 12.117 1.00 0.00 C ATOM 1154 C VAL A 78 -11.316 -1.794 13.451 1.00 0.00 C ATOM 1155 O VAL A 78 -10.802 -2.832 13.865 1.00 0.00 O ATOM 1156 CB VAL A 78 -11.110 -2.177 10.978 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -9.934 -1.215 10.893 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -10.631 -3.610 11.163 1.00 0.00 C ATOM 0 H VAL A 78 -12.142 0.123 11.231 1.00 0.00 H new ATOM 0 HA VAL A 78 -12.884 -2.494 12.160 1.00 0.00 H new ATOM 0 HB VAL A 78 -11.656 -2.122 10.036 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.272 -1.520 10.083 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -10.302 -0.207 10.701 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.385 -1.227 11.835 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.956 -3.876 10.349 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -10.105 -3.698 12.114 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -11.488 -4.284 11.159 1.00 0.00 H new