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 55 ASN : amide:sc= -6.59! C(o=-9.7!,f=-30!) USER MOD Set 1.2: A 71 LYS NZ :NH3+ 168:sc= -3.09! (180deg=-4.24!) USER MOD Set 2.1: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 49 MET CE :methyl 137:sc= -0.745 (180deg=-4.61!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.821 F(o=-2.7!,f=-0.82) USER MOD Single : A 34 HIS :FLIP no HE2:sc= -13.3! C(o=-16!,f=-13!) USER MOD Single : A 39 ASN :FLIP amide:sc= -0.68 F(o=-2.5,f=-0.68) USER MOD Single : A 47 THR OG1 : rot 74:sc= 0.945 USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= 0.0619 X(o=0.062,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0393 USER MOD Single : A 73 GLN : amide:sc= -1.29 K(o=-1.3,f=-6.7!) USER MOD ----------------------------------------------------------------- ATOM 362 N VAL A 26 6.906 1.937 -0.490 1.00 0.00 N ATOM 363 CA VAL A 26 6.900 3.393 -0.391 1.00 0.00 C ATOM 364 C VAL A 26 5.514 3.910 -0.029 1.00 0.00 C ATOM 365 O VAL A 26 5.365 4.764 0.844 1.00 0.00 O ATOM 366 CB VAL A 26 7.384 4.059 -1.703 1.00 0.00 C ATOM 367 CG1 VAL A 26 6.312 4.042 -2.787 1.00 0.00 C ATOM 368 CG2 VAL A 26 7.853 5.481 -1.438 1.00 0.00 C ATOM 0 HA VAL A 26 7.596 3.661 0.404 1.00 0.00 H new ATOM 0 HB VAL A 26 8.225 3.472 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.698 4.520 -3.688 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.038 3.011 -3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.433 4.583 -2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.189 5.933 -2.371 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.029 6.065 -1.028 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.677 5.465 -0.725 1.00 0.00 H new ATOM 378 N LEU A 27 4.502 3.386 -0.711 1.00 0.00 N ATOM 379 CA LEU A 27 3.123 3.796 -0.467 1.00 0.00 C ATOM 380 C LEU A 27 2.800 3.784 1.024 1.00 0.00 C ATOM 381 O LEU A 27 2.283 4.762 1.556 1.00 0.00 O ATOM 382 CB LEU A 27 2.142 2.886 -1.214 1.00 0.00 C ATOM 383 CG LEU A 27 2.249 2.908 -2.742 1.00 0.00 C ATOM 384 CD1 LEU A 27 1.043 2.226 -3.367 1.00 0.00 C ATOM 385 CD2 LEU A 27 2.386 4.334 -3.259 1.00 0.00 C ATOM 0 H LEU A 27 4.610 2.677 -1.437 1.00 0.00 H new ATOM 0 HA LEU A 27 3.015 4.815 -0.839 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.292 1.862 -0.872 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.127 3.169 -0.935 1.00 0.00 H new ATOM 0 HG LEU A 27 3.146 2.359 -3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.134 2.250 -4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.995 1.191 -3.029 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.134 2.748 -3.067 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.460 4.321 -4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.513 4.914 -2.962 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.284 4.788 -2.839 1.00 0.00 H new ATOM 397 N GLY A 28 3.105 2.670 1.686 1.00 0.00 N ATOM 398 CA GLY A 28 2.833 2.550 3.108 1.00 0.00 C ATOM 399 C GLY A 28 3.576 3.581 3.933 1.00 0.00 C ATOM 400 O GLY A 28 2.981 4.252 4.777 1.00 0.00 O ATOM 0 H GLY A 28 3.536 1.848 1.262 1.00 0.00 H new ATOM 0 HA2 GLY A 28 1.762 2.656 3.279 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.112 1.551 3.444 1.00 0.00 H new ATOM 404 N GLU A 29 4.876 3.719 3.689 1.00 0.00 N ATOM 405 CA GLU A 29 5.684 4.688 4.420 1.00 0.00 C ATOM 406 C GLU A 29 5.094 6.086 4.265 1.00 0.00 C ATOM 407 O GLU A 29 4.810 6.766 5.251 1.00 0.00 O ATOM 408 CB GLU A 29 7.129 4.666 3.920 1.00 0.00 C ATOM 409 CG GLU A 29 7.700 3.264 3.774 1.00 0.00 C ATOM 410 CD GLU A 29 8.971 3.063 4.576 1.00 0.00 C ATOM 411 OE1 GLU A 29 8.869 2.778 5.787 1.00 0.00 O ATOM 412 OE2 GLU A 29 10.068 3.191 3.992 1.00 0.00 O ATOM 0 H GLU A 29 5.389 3.176 2.995 1.00 0.00 H new ATOM 0 HA GLU A 29 5.679 4.418 5.476 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.179 5.172 2.956 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.753 5.233 4.611 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.954 2.537 4.095 1.00 0.00 H new ATOM 0 HG3 GLU A 29 7.904 3.067 2.722 1.00 0.00 H new ATOM 419 N ARG A 30 4.897 6.499 3.016 1.00 0.00 N ATOM 420 CA ARG A 30 4.324 7.806 2.722 1.00 0.00 C ATOM 421 C ARG A 30 2.866 7.872 3.171 1.00 0.00 C ATOM 422 O ARG A 30 2.300 8.955 3.315 1.00 0.00 O ATOM 423 CB ARG A 30 4.414 8.101 1.223 1.00 0.00 C ATOM 424 CG ARG A 30 5.754 7.733 0.608 1.00 0.00 C ATOM 425 CD ARG A 30 6.247 8.812 -0.340 1.00 0.00 C ATOM 426 NE ARG A 30 7.688 8.737 -0.554 1.00 0.00 N ATOM 427 CZ ARG A 30 8.590 9.106 0.351 1.00 0.00 C ATOM 428 NH1 ARG A 30 8.203 9.573 1.532 1.00 0.00 N ATOM 429 NH2 ARG A 30 9.882 9.008 0.075 1.00 0.00 N ATOM 0 H ARG A 30 5.127 5.945 2.191 1.00 0.00 H new ATOM 0 HA ARG A 30 4.894 8.556 3.271 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.625 7.555 0.706 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.228 9.162 1.059 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.488 7.579 1.399 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.662 6.789 0.070 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.733 8.716 -1.297 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.991 9.792 0.062 1.00 0.00 H new ATOM 0 HE ARG A 30 8.023 8.381 -1.449 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.209 9.650 1.749 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.899 9.854 2.222 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.184 8.650 -0.831 1.00 0.00 H new ATOM 0 HH22 ARG A 30 10.575 9.291 0.768 1.00 0.00 H new ATOM 443 N LEU A 31 2.260 6.704 3.381 1.00 0.00 N ATOM 444 CA LEU A 31 0.865 6.628 3.801 1.00 0.00 C ATOM 445 C LEU A 31 0.704 6.986 5.273 1.00 0.00 C ATOM 446 O LEU A 31 0.009 7.938 5.623 1.00 0.00 O ATOM 447 CB LEU A 31 0.331 5.214 3.569 1.00 0.00 C ATOM 448 CG LEU A 31 -0.978 5.134 2.789 1.00 0.00 C ATOM 449 CD1 LEU A 31 -0.801 4.311 1.521 1.00 0.00 C ATOM 450 CD2 LEU A 31 -2.070 4.543 3.662 1.00 0.00 C ATOM 0 H LEU A 31 2.715 5.798 3.267 1.00 0.00 H new ATOM 0 HA LEU A 31 0.300 7.347 3.207 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.089 4.640 3.036 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.189 4.733 4.537 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.271 6.143 2.498 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.747 4.267 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.043 4.774 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.486 3.301 1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.000 4.490 3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.781 3.541 3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.215 5.173 4.540 1.00 0.00 H new ATOM 462 N TYR A 32 1.344 6.201 6.129 1.00 0.00 N ATOM 463 CA TYR A 32 1.274 6.407 7.571 1.00 0.00 C ATOM 464 C TYR A 32 1.559 7.862 7.938 1.00 0.00 C ATOM 465 O TYR A 32 1.032 8.373 8.920 1.00 0.00 O ATOM 466 CB TYR A 32 2.270 5.471 8.267 1.00 0.00 C ATOM 467 CG TYR A 32 2.018 5.273 9.745 1.00 0.00 C ATOM 468 CD1 TYR A 32 2.359 6.256 10.665 1.00 0.00 C ATOM 469 CD2 TYR A 32 1.451 4.096 10.223 1.00 0.00 C ATOM 470 CE1 TYR A 32 2.142 6.076 12.018 1.00 0.00 C ATOM 471 CE2 TYR A 32 1.230 3.910 11.576 1.00 0.00 C ATOM 472 CZ TYR A 32 1.578 4.902 12.468 1.00 0.00 C ATOM 473 OH TYR A 32 1.360 4.719 13.814 1.00 0.00 O ATOM 0 H TYR A 32 1.922 5.409 5.848 1.00 0.00 H new ATOM 0 HA TYR A 32 0.263 6.177 7.908 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.242 4.500 7.773 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.276 5.868 8.133 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.802 7.178 10.317 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.179 3.316 9.527 1.00 0.00 H new ATOM 0 HE1 TYR A 32 2.413 6.852 12.719 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.787 2.992 11.932 1.00 0.00 H new ATOM 0 HH TYR A 32 0.955 3.839 13.963 1.00 0.00 H new ATOM 483 N ASN A 33 2.401 8.516 7.149 1.00 0.00 N ATOM 484 CA ASN A 33 2.766 9.911 7.393 1.00 0.00 C ATOM 485 C ASN A 33 1.611 10.857 7.115 1.00 0.00 C ATOM 486 O ASN A 33 1.441 11.857 7.810 1.00 0.00 O ATOM 487 CB ASN A 33 3.965 10.293 6.518 1.00 0.00 C ATOM 488 CG ASN A 33 4.232 11.789 6.496 1.00 0.00 C ATOM 489 OD1 ASN A 33 3.347 12.547 5.848 1.00 0.00 O flip ATOM 490 ND2 ASN A 33 5.222 12.260 7.055 1.00 0.00 N flip ATOM 0 H ASN A 33 2.848 8.103 6.330 1.00 0.00 H new ATOM 0 HA ASN A 33 3.027 10.005 8.447 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.853 9.776 6.883 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.790 9.946 5.500 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.875 11.645 7.540 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.390 13.266 7.033 1.00 0.00 H new ATOM 497 N HIS A 34 0.834 10.566 6.088 1.00 0.00 N ATOM 498 CA HIS A 34 -0.278 11.430 5.742 1.00 0.00 C ATOM 499 C HIS A 34 -1.282 11.465 6.883 1.00 0.00 C ATOM 500 O HIS A 34 -1.876 12.498 7.183 1.00 0.00 O ATOM 501 CB HIS A 34 -0.956 10.950 4.452 1.00 0.00 C ATOM 502 CG HIS A 34 -1.806 9.725 4.603 1.00 0.00 C ATOM 503 ND1 HIS A 34 -2.815 9.467 5.454 1.00 0.00 N flip ATOM 504 CD2 HIS A 34 -1.683 8.602 3.814 1.00 0.00 C flip ATOM 505 CE1 HIS A 34 -3.286 8.214 5.177 1.00 0.00 C flip ATOM 506 NE2 HIS A 34 -2.587 7.709 4.184 1.00 0.00 N flip ATOM 0 H HIS A 34 0.950 9.750 5.487 1.00 0.00 H new ATOM 0 HA HIS A 34 0.103 12.437 5.573 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.575 11.758 4.062 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.186 10.750 3.707 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -3.166 10.095 6.177 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.963 8.471 3.020 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.098 7.720 5.689 1.00 0.00 H new ATOM 515 N ILE A 35 -1.482 10.301 7.476 1.00 0.00 N ATOM 516 CA ILE A 35 -2.442 10.123 8.564 1.00 0.00 C ATOM 517 C ILE A 35 -1.812 10.191 9.960 1.00 0.00 C ATOM 518 O ILE A 35 -2.493 10.549 10.917 1.00 0.00 O ATOM 519 CB ILE A 35 -3.205 8.784 8.412 1.00 0.00 C ATOM 520 CG1 ILE A 35 -4.042 8.488 9.656 1.00 0.00 C ATOM 521 CG2 ILE A 35 -2.243 7.640 8.136 1.00 0.00 C ATOM 522 CD1 ILE A 35 -4.989 7.318 9.486 1.00 0.00 C ATOM 0 H ILE A 35 -0.985 9.448 7.220 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.133 10.962 8.482 1.00 0.00 H new ATOM 0 HB ILE A 35 -3.879 8.879 7.560 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.374 8.285 10.493 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.618 9.376 9.916 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.803 6.710 8.033 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.697 7.838 7.214 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.538 7.550 8.963 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.550 7.167 10.408 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.681 7.526 8.670 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.418 6.418 9.257 1.00 0.00 H new ATOM 534 N VAL A 36 -0.537 9.830 10.101 1.00 0.00 N ATOM 535 CA VAL A 36 0.096 9.851 11.423 1.00 0.00 C ATOM 536 C VAL A 36 -0.204 11.157 12.154 1.00 0.00 C ATOM 537 O VAL A 36 -0.625 11.148 13.308 1.00 0.00 O ATOM 538 CB VAL A 36 1.627 9.649 11.371 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.300 10.755 10.578 1.00 0.00 C ATOM 540 CG2 VAL A 36 2.197 9.584 12.781 1.00 0.00 C ATOM 0 H VAL A 36 0.067 9.526 9.338 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.334 9.008 11.965 1.00 0.00 H new ATOM 0 HB VAL A 36 1.827 8.705 10.865 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.377 10.586 10.559 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.915 10.758 9.558 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.092 11.717 11.047 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.276 9.441 12.731 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.978 10.514 13.305 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.745 8.750 13.318 1.00 0.00 H new ATOM 550 N ALA A 37 0.013 12.276 11.473 1.00 0.00 N ATOM 551 CA ALA A 37 -0.237 13.585 12.058 1.00 0.00 C ATOM 552 C ALA A 37 -1.731 13.889 12.110 1.00 0.00 C ATOM 553 O ALA A 37 -2.187 14.673 12.941 1.00 0.00 O ATOM 554 CB ALA A 37 0.492 14.660 11.267 1.00 0.00 C ATOM 0 H ALA A 37 0.362 12.302 10.515 1.00 0.00 H new ATOM 0 HA ALA A 37 0.141 13.577 13.080 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.298 15.635 11.714 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.563 14.460 11.283 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.138 14.656 10.236 1.00 0.00 H new ATOM 560 N ILE A 38 -2.487 13.275 11.207 1.00 0.00 N ATOM 561 CA ILE A 38 -3.932 13.500 11.150 1.00 0.00 C ATOM 562 C ILE A 38 -4.703 12.528 12.042 1.00 0.00 C ATOM 563 O ILE A 38 -5.315 12.937 13.029 1.00 0.00 O ATOM 564 CB ILE A 38 -4.459 13.396 9.707 1.00 0.00 C ATOM 565 CG1 ILE A 38 -3.532 14.152 8.753 1.00 0.00 C ATOM 566 CG2 ILE A 38 -5.877 13.940 9.621 1.00 0.00 C ATOM 567 CD1 ILE A 38 -3.283 15.587 9.160 1.00 0.00 C ATOM 0 H ILE A 38 -2.130 12.623 10.509 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.098 14.511 11.521 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.477 12.346 9.413 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.578 13.628 8.696 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.964 14.137 7.752 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.236 13.860 8.595 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.528 13.365 10.279 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.885 14.986 9.927 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.618 16.060 8.438 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.230 16.127 9.189 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.822 15.610 10.147 1.00 0.00 H new ATOM 579 N ASN A 39 -4.669 11.245 11.697 1.00 0.00 N ATOM 580 CA ASN A 39 -5.366 10.224 12.476 1.00 0.00 C ATOM 581 C ASN A 39 -4.389 9.159 12.979 1.00 0.00 C ATOM 582 O ASN A 39 -4.352 8.041 12.466 1.00 0.00 O ATOM 583 CB ASN A 39 -6.477 9.581 11.636 1.00 0.00 C ATOM 584 CG ASN A 39 -7.861 10.020 12.079 1.00 0.00 C ATOM 585 OD1 ASN A 39 -8.658 9.072 12.556 1.00 0.00 O flip ATOM 586 ND2 ASN A 39 -8.208 11.199 11.994 1.00 0.00 N flip ATOM 0 H ASN A 39 -4.167 10.886 10.884 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.818 10.705 13.344 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.334 9.842 10.587 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.402 8.496 11.708 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -7.562 11.895 11.621 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.141 11.479 12.297 1.00 0.00 H new ATOM 593 N PRO A 40 -3.579 9.507 13.998 1.00 0.00 N ATOM 594 CA PRO A 40 -2.589 8.592 14.581 1.00 0.00 C ATOM 595 C PRO A 40 -3.172 7.224 14.925 1.00 0.00 C ATOM 596 O PRO A 40 -2.570 6.192 14.630 1.00 0.00 O ATOM 597 CB PRO A 40 -2.150 9.304 15.861 1.00 0.00 C ATOM 598 CG PRO A 40 -2.425 10.750 15.628 1.00 0.00 C ATOM 599 CD PRO A 40 -3.567 10.829 14.651 1.00 0.00 C ATOM 0 HA PRO A 40 -1.779 8.389 13.880 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.702 8.934 16.725 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -1.092 9.133 16.062 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.682 11.249 16.562 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.542 11.251 15.231 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.511 11.031 15.158 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.416 11.629 13.927 1.00 0.00 H new ATOM 607 N ALA A 41 -4.341 7.224 15.559 1.00 0.00 N ATOM 608 CA ALA A 41 -5.002 5.981 15.955 1.00 0.00 C ATOM 609 C ALA A 41 -5.716 5.321 14.778 1.00 0.00 C ATOM 610 O ALA A 41 -6.845 4.844 14.910 1.00 0.00 O ATOM 611 CB ALA A 41 -5.980 6.243 17.090 1.00 0.00 C ATOM 0 H ALA A 41 -4.852 8.070 15.810 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.232 5.291 16.300 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.465 5.309 17.375 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.443 6.649 17.947 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.734 6.959 16.763 1.00 0.00 H new ATOM 617 N ALA A 42 -5.048 5.284 13.631 1.00 0.00 N ATOM 618 CA ALA A 42 -5.605 4.671 12.433 1.00 0.00 C ATOM 619 C ALA A 42 -4.494 4.323 11.451 1.00 0.00 C ATOM 620 O ALA A 42 -4.528 3.274 10.812 1.00 0.00 O ATOM 621 CB ALA A 42 -6.631 5.584 11.784 1.00 0.00 C ATOM 0 H ALA A 42 -4.114 5.674 13.506 1.00 0.00 H new ATOM 0 HA ALA A 42 -6.111 3.750 12.722 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.032 5.104 10.891 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.441 5.779 12.487 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.157 6.526 11.507 1.00 0.00 H new ATOM 627 N ALA A 43 -3.505 5.217 11.344 1.00 0.00 N ATOM 628 CA ALA A 43 -2.367 5.013 10.449 1.00 0.00 C ATOM 629 C ALA A 43 -1.927 3.552 10.455 1.00 0.00 C ATOM 630 O ALA A 43 -1.830 2.915 9.408 1.00 0.00 O ATOM 631 CB ALA A 43 -1.209 5.913 10.859 1.00 0.00 C ATOM 0 H ALA A 43 -3.472 6.091 11.869 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.676 5.273 9.437 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.367 5.752 10.185 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.522 6.956 10.806 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.908 5.676 11.879 1.00 0.00 H new ATOM 637 N ALA A 44 -1.671 3.026 11.652 1.00 0.00 N ATOM 638 CA ALA A 44 -1.245 1.639 11.809 1.00 0.00 C ATOM 639 C ALA A 44 -2.180 0.683 11.074 1.00 0.00 C ATOM 640 O ALA A 44 -1.735 -0.292 10.467 1.00 0.00 O ATOM 641 CB ALA A 44 -1.170 1.278 13.285 1.00 0.00 C ATOM 0 H ALA A 44 -1.752 3.542 12.528 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.254 1.539 11.367 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.851 0.241 13.390 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.453 1.930 13.783 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.152 1.404 13.741 1.00 0.00 H new ATOM 647 N LYS A 45 -3.472 0.974 11.125 1.00 0.00 N ATOM 648 CA LYS A 45 -4.467 0.147 10.456 1.00 0.00 C ATOM 649 C LYS A 45 -4.531 0.497 8.977 1.00 0.00 C ATOM 650 O LYS A 45 -4.552 -0.380 8.116 1.00 0.00 O ATOM 651 CB LYS A 45 -5.843 0.346 11.093 1.00 0.00 C ATOM 652 CG LYS A 45 -6.190 -0.702 12.136 1.00 0.00 C ATOM 653 CD LYS A 45 -6.210 -2.101 11.539 1.00 0.00 C ATOM 654 CE LYS A 45 -5.515 -3.101 12.449 1.00 0.00 C ATOM 655 NZ LYS A 45 -4.809 -4.163 11.680 1.00 0.00 N ATOM 0 H LYS A 45 -3.856 1.777 11.623 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.176 -0.898 10.565 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.880 1.332 11.555 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.601 0.332 10.310 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.464 -0.663 12.948 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.165 -0.477 12.569 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.241 -2.413 11.373 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.720 -2.090 10.566 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.800 -2.577 13.083 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -6.250 -3.561 13.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.350 -4.822 12.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.494 -4.681 11.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.089 -3.728 11.068 1.00 0.00 H new ATOM 669 N VAL A 46 -4.562 1.790 8.701 1.00 0.00 N ATOM 670 CA VAL A 46 -4.624 2.289 7.336 1.00 0.00 C ATOM 671 C VAL A 46 -3.436 1.803 6.509 1.00 0.00 C ATOM 672 O VAL A 46 -3.595 1.368 5.372 1.00 0.00 O ATOM 673 CB VAL A 46 -4.652 3.829 7.323 1.00 0.00 C ATOM 674 CG1 VAL A 46 -4.557 4.357 5.903 1.00 0.00 C ATOM 675 CG2 VAL A 46 -5.906 4.344 8.010 1.00 0.00 C ATOM 0 H VAL A 46 -4.545 2.521 9.412 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.541 1.902 6.892 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.786 4.193 7.876 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.579 5.447 5.918 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.625 4.019 5.451 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.399 3.985 5.320 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.909 5.434 7.992 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.787 3.970 7.488 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.923 3.998 9.044 1.00 0.00 H new ATOM 685 N THR A 47 -2.247 1.902 7.089 1.00 0.00 N ATOM 686 CA THR A 47 -1.020 1.496 6.412 1.00 0.00 C ATOM 687 C THR A 47 -0.924 -0.022 6.267 1.00 0.00 C ATOM 688 O THR A 47 -0.693 -0.538 5.174 1.00 0.00 O ATOM 689 CB THR A 47 0.196 2.016 7.181 1.00 0.00 C ATOM 690 OG1 THR A 47 0.014 3.369 7.571 1.00 0.00 O ATOM 691 CG2 THR A 47 1.485 1.935 6.390 1.00 0.00 C ATOM 0 H THR A 47 -2.105 2.262 8.033 1.00 0.00 H new ATOM 0 HA THR A 47 -1.039 1.927 5.411 1.00 0.00 H new ATOM 0 HB THR A 47 0.280 1.366 8.052 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.629 3.413 8.309 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.307 2.320 6.994 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.684 0.897 6.125 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.392 2.530 5.482 1.00 0.00 H new ATOM 699 N GLY A 48 -1.080 -0.727 7.379 1.00 0.00 N ATOM 700 CA GLY A 48 -0.985 -2.176 7.363 1.00 0.00 C ATOM 701 C GLY A 48 -2.072 -2.817 6.536 1.00 0.00 C ATOM 702 O GLY A 48 -1.797 -3.626 5.650 1.00 0.00 O ATOM 0 H GLY A 48 -1.271 -0.321 8.295 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.012 -2.469 6.968 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.041 -2.552 8.385 1.00 0.00 H new ATOM 706 N MET A 49 -3.310 -2.454 6.829 1.00 0.00 N ATOM 707 CA MET A 49 -4.446 -3.000 6.105 1.00 0.00 C ATOM 708 C MET A 49 -4.554 -2.377 4.720 1.00 0.00 C ATOM 709 O MET A 49 -4.731 -3.093 3.741 1.00 0.00 O ATOM 710 CB MET A 49 -5.747 -2.779 6.882 1.00 0.00 C ATOM 711 CG MET A 49 -5.807 -3.530 8.204 1.00 0.00 C ATOM 712 SD MET A 49 -5.447 -5.290 8.032 1.00 0.00 S ATOM 713 CE MET A 49 -3.672 -5.300 8.277 1.00 0.00 C ATOM 0 H MET A 49 -3.553 -1.786 7.560 1.00 0.00 H new ATOM 0 HA MET A 49 -4.286 -4.072 5.994 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.868 -1.713 7.074 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.588 -3.088 6.261 1.00 0.00 H new ATOM 0 HG2 MET A 49 -5.096 -3.086 8.901 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.799 -3.408 8.640 1.00 0.00 H new ATOM 0 HE1 MET A 49 -3.399 -6.135 8.923 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.172 -5.407 7.314 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.364 -4.364 8.743 1.00 0.00 H new ATOM 723 N LEU A 50 -4.471 -1.039 4.664 1.00 0.00 N ATOM 724 CA LEU A 50 -4.585 -0.273 3.407 1.00 0.00 C ATOM 725 C LEU A 50 -5.353 -1.025 2.318 1.00 0.00 C ATOM 726 O LEU A 50 -6.448 -0.618 1.930 1.00 0.00 O ATOM 727 CB LEU A 50 -3.205 0.106 2.877 1.00 0.00 C ATOM 728 CG LEU A 50 -3.227 1.015 1.643 1.00 0.00 C ATOM 729 CD1 LEU A 50 -3.988 2.304 1.935 1.00 0.00 C ATOM 730 CD2 LEU A 50 -1.812 1.319 1.175 1.00 0.00 C ATOM 0 H LEU A 50 -4.323 -0.455 5.487 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.151 0.626 3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.649 0.605 3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.661 -0.806 2.632 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.746 0.489 0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.991 2.934 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.014 2.065 2.214 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.503 2.835 2.754 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.850 1.965 0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.265 1.821 1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.306 0.388 0.918 1.00 0.00 H new ATOM 742 N LEU A 51 -4.779 -2.121 1.831 1.00 0.00 N ATOM 743 CA LEU A 51 -5.417 -2.919 0.793 1.00 0.00 C ATOM 744 C LEU A 51 -6.593 -3.708 1.357 1.00 0.00 C ATOM 745 O LEU A 51 -6.535 -4.933 1.476 1.00 0.00 O ATOM 746 CB LEU A 51 -4.398 -3.870 0.157 1.00 0.00 C ATOM 747 CG LEU A 51 -3.238 -3.181 -0.570 1.00 0.00 C ATOM 748 CD1 LEU A 51 -1.973 -3.224 0.274 1.00 0.00 C ATOM 749 CD2 LEU A 51 -2.997 -3.825 -1.929 1.00 0.00 C ATOM 0 H LEU A 51 -3.874 -2.475 2.139 1.00 0.00 H new ATOM 0 HA LEU A 51 -5.797 -2.242 0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -3.989 -4.514 0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.918 -4.516 -0.550 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.508 -2.137 -0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.162 -2.730 -0.261 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.149 -2.712 1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.700 -4.261 0.468 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.170 -3.321 -2.429 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.752 -4.879 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.897 -3.737 -2.538 1.00 0.00 H new ATOM 761 N GLU A 52 -7.661 -2.999 1.703 1.00 0.00 N ATOM 762 CA GLU A 52 -8.854 -3.631 2.255 1.00 0.00 C ATOM 763 C GLU A 52 -9.858 -3.938 1.149 1.00 0.00 C ATOM 764 O GLU A 52 -9.588 -3.703 -0.028 1.00 0.00 O ATOM 765 CB GLU A 52 -9.498 -2.727 3.311 1.00 0.00 C ATOM 766 CG GLU A 52 -8.520 -1.771 3.977 1.00 0.00 C ATOM 767 CD GLU A 52 -8.996 -1.291 5.335 1.00 0.00 C ATOM 768 OE1 GLU A 52 -9.984 -1.853 5.852 1.00 0.00 O ATOM 769 OE2 GLU A 52 -8.382 -0.349 5.879 1.00 0.00 O ATOM 0 H GLU A 52 -7.726 -1.985 1.611 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.557 -4.567 2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.296 -2.149 2.844 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.961 -3.350 4.076 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.556 -2.266 4.090 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -8.362 -0.910 3.328 1.00 0.00 H new ATOM 776 N MET A 53 -11.011 -4.477 1.529 1.00 0.00 N ATOM 777 CA MET A 53 -12.037 -4.824 0.553 1.00 0.00 C ATOM 778 C MET A 53 -12.615 -3.576 -0.113 1.00 0.00 C ATOM 779 O MET A 53 -12.495 -3.397 -1.326 1.00 0.00 O ATOM 780 CB MET A 53 -13.155 -5.625 1.224 1.00 0.00 C ATOM 781 CG MET A 53 -12.895 -7.123 1.257 1.00 0.00 C ATOM 782 SD MET A 53 -12.672 -7.826 -0.389 1.00 0.00 S ATOM 783 CE MET A 53 -14.346 -8.334 -0.773 1.00 0.00 C ATOM 0 H MET A 53 -11.257 -4.682 2.497 1.00 0.00 H new ATOM 0 HA MET A 53 -11.571 -5.435 -0.220 1.00 0.00 H new ATOM 0 HB2 MET A 53 -13.287 -5.265 2.244 1.00 0.00 H new ATOM 0 HB3 MET A 53 -14.091 -5.439 0.697 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.006 -7.320 1.856 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.729 -7.622 1.751 1.00 0.00 H new ATOM 0 HE1 MET A 53 -14.370 -8.789 -1.763 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.685 -9.059 -0.033 1.00 0.00 H new ATOM 0 HE3 MET A 53 -15.003 -7.464 -0.757 1.00 0.00 H new ATOM 793 N ASP A 54 -13.223 -2.702 0.684 1.00 0.00 N ATOM 794 CA ASP A 54 -13.798 -1.474 0.154 1.00 0.00 C ATOM 795 C ASP A 54 -12.765 -0.353 0.158 1.00 0.00 C ATOM 796 O ASP A 54 -12.284 0.060 -0.897 1.00 0.00 O ATOM 797 CB ASP A 54 -15.041 -1.068 0.947 1.00 0.00 C ATOM 798 CG ASP A 54 -14.812 -1.027 2.445 1.00 0.00 C ATOM 799 OD1 ASP A 54 -14.458 -2.077 3.021 1.00 0.00 O ATOM 800 OD2 ASP A 54 -14.987 0.056 3.043 1.00 0.00 O ATOM 0 H ASP A 54 -13.329 -2.821 1.691 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.101 -1.657 -0.877 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.373 -0.086 0.611 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -15.847 -1.769 0.729 1.00 0.00 H new ATOM 805 N ASN A 55 -12.421 0.129 1.347 1.00 0.00 N ATOM 806 CA ASN A 55 -11.439 1.196 1.496 1.00 0.00 C ATOM 807 C ASN A 55 -10.200 0.927 0.644 1.00 0.00 C ATOM 808 O ASN A 55 -9.506 1.855 0.228 1.00 0.00 O ATOM 809 CB ASN A 55 -11.052 1.330 2.971 1.00 0.00 C ATOM 810 CG ASN A 55 -9.839 2.211 3.185 1.00 0.00 C ATOM 811 OD1 ASN A 55 -9.842 3.384 2.824 1.00 0.00 O ATOM 812 ND2 ASN A 55 -8.794 1.645 3.774 1.00 0.00 N ATOM 0 H ASN A 55 -12.811 -0.206 2.228 1.00 0.00 H new ATOM 0 HA ASN A 55 -11.883 2.130 1.151 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.895 1.740 3.527 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.852 0.340 3.380 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.948 2.189 3.944 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.837 0.666 4.057 1.00 0.00 H new ATOM 819 N GLY A 56 -9.929 -0.347 0.389 1.00 0.00 N ATOM 820 CA GLY A 56 -8.776 -0.711 -0.410 1.00 0.00 C ATOM 821 C GLY A 56 -8.915 -0.286 -1.857 1.00 0.00 C ATOM 822 O GLY A 56 -8.150 0.548 -2.338 1.00 0.00 O ATOM 0 H GLY A 56 -10.487 -1.134 0.721 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.884 -0.252 0.016 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -8.632 -1.791 -0.364 1.00 0.00 H new ATOM 826 N GLU A 57 -9.887 -0.865 -2.562 1.00 0.00 N ATOM 827 CA GLU A 57 -10.110 -0.539 -3.973 1.00 0.00 C ATOM 828 C GLU A 57 -9.795 0.923 -4.280 1.00 0.00 C ATOM 829 O GLU A 57 -9.003 1.223 -5.171 1.00 0.00 O ATOM 830 CB GLU A 57 -11.551 -0.825 -4.375 1.00 0.00 C ATOM 831 CG GLU A 57 -11.988 -2.261 -4.143 1.00 0.00 C ATOM 832 CD GLU A 57 -11.508 -3.203 -5.230 1.00 0.00 C ATOM 833 OE1 GLU A 57 -12.214 -3.341 -6.252 1.00 0.00 O ATOM 834 OE2 GLU A 57 -10.426 -3.804 -5.060 1.00 0.00 O ATOM 0 H GLU A 57 -10.531 -1.559 -2.182 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.432 -1.170 -4.547 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.211 -0.161 -3.816 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.677 -0.585 -5.431 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -11.608 -2.601 -3.180 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.076 -2.301 -4.088 1.00 0.00 H new ATOM 841 N ILE A 58 -10.423 1.826 -3.536 1.00 0.00 N ATOM 842 CA ILE A 58 -10.211 3.254 -3.728 1.00 0.00 C ATOM 843 C ILE A 58 -8.728 3.598 -3.631 1.00 0.00 C ATOM 844 O ILE A 58 -8.202 4.352 -4.448 1.00 0.00 O ATOM 845 CB ILE A 58 -11.004 4.076 -2.688 1.00 0.00 C ATOM 846 CG1 ILE A 58 -12.504 3.823 -2.853 1.00 0.00 C ATOM 847 CG2 ILE A 58 -10.694 5.563 -2.816 1.00 0.00 C ATOM 848 CD1 ILE A 58 -13.106 3.015 -1.726 1.00 0.00 C ATOM 0 H ILE A 58 -11.083 1.594 -2.794 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.570 3.510 -4.725 1.00 0.00 H new ATOM 0 HB ILE A 58 -10.700 3.756 -1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -13.021 4.780 -2.920 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -12.675 3.302 -3.795 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -11.265 6.119 -2.073 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.629 5.728 -2.653 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.966 5.907 -3.814 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.171 2.874 -1.908 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -12.615 2.043 -1.672 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.966 3.545 -0.784 1.00 0.00 H new ATOM 860 N LEU A 59 -8.068 3.043 -2.618 1.00 0.00 N ATOM 861 CA LEU A 59 -6.648 3.282 -2.386 1.00 0.00 C ATOM 862 C LEU A 59 -5.859 3.355 -3.691 1.00 0.00 C ATOM 863 O LEU A 59 -4.874 4.088 -3.789 1.00 0.00 O ATOM 864 CB LEU A 59 -6.079 2.194 -1.476 1.00 0.00 C ATOM 865 CG LEU A 59 -5.555 0.938 -2.181 1.00 0.00 C ATOM 866 CD1 LEU A 59 -4.137 1.161 -2.693 1.00 0.00 C ATOM 867 CD2 LEU A 59 -5.599 -0.247 -1.230 1.00 0.00 C ATOM 0 H LEU A 59 -8.501 2.418 -1.938 1.00 0.00 H new ATOM 0 HA LEU A 59 -6.549 4.251 -1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.266 2.625 -0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.855 1.895 -0.771 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.194 0.725 -3.038 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.783 0.258 -3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.132 1.990 -3.400 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.480 1.395 -1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.225 -1.136 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.977 -0.038 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.627 -0.418 -0.909 1.00 0.00 H new ATOM 879 N ASN A 60 -6.295 2.594 -4.690 1.00 0.00 N ATOM 880 CA ASN A 60 -5.622 2.576 -5.990 1.00 0.00 C ATOM 881 C ASN A 60 -5.280 3.989 -6.468 1.00 0.00 C ATOM 882 O ASN A 60 -4.346 4.179 -7.246 1.00 0.00 O ATOM 883 CB ASN A 60 -6.499 1.880 -7.034 1.00 0.00 C ATOM 884 CG ASN A 60 -5.721 0.881 -7.867 1.00 0.00 C ATOM 885 OD1 ASN A 60 -6.196 -0.221 -8.140 1.00 0.00 O ATOM 886 ND2 ASN A 60 -4.517 1.264 -8.277 1.00 0.00 N ATOM 0 H ASN A 60 -7.109 1.982 -4.628 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.691 2.023 -5.868 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.321 1.369 -6.532 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.942 2.629 -7.690 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.947 0.635 -8.842 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.163 2.187 -8.027 1.00 0.00 H new ATOM 893 N LEU A 61 -6.044 4.976 -6.005 1.00 0.00 N ATOM 894 CA LEU A 61 -5.817 6.364 -6.397 1.00 0.00 C ATOM 895 C LEU A 61 -5.382 7.221 -5.207 1.00 0.00 C ATOM 896 O LEU A 61 -5.979 8.265 -4.944 1.00 0.00 O ATOM 897 CB LEU A 61 -7.092 6.949 -7.010 1.00 0.00 C ATOM 898 CG LEU A 61 -7.909 5.982 -7.874 1.00 0.00 C ATOM 899 CD1 LEU A 61 -9.333 5.868 -7.348 1.00 0.00 C ATOM 900 CD2 LEU A 61 -7.909 6.430 -9.330 1.00 0.00 C ATOM 0 H LEU A 61 -6.823 4.841 -5.360 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.014 6.373 -7.134 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -7.728 7.315 -6.204 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.820 7.812 -7.618 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.443 4.998 -7.820 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.898 5.177 -7.974 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.314 5.496 -6.323 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.808 6.849 -7.369 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -8.494 5.730 -9.926 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.347 7.425 -9.404 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.885 6.456 -9.703 1.00 0.00 H new ATOM 912 N LEU A 62 -4.350 6.769 -4.486 1.00 0.00 N ATOM 913 CA LEU A 62 -3.835 7.487 -3.310 1.00 0.00 C ATOM 914 C LEU A 62 -4.037 9.001 -3.419 1.00 0.00 C ATOM 915 O LEU A 62 -3.190 9.718 -3.952 1.00 0.00 O ATOM 916 CB LEU A 62 -2.353 7.169 -3.110 1.00 0.00 C ATOM 917 CG LEU A 62 -2.057 5.739 -2.667 1.00 0.00 C ATOM 918 CD1 LEU A 62 -0.745 5.260 -3.260 1.00 0.00 C ATOM 919 CD2 LEU A 62 -2.028 5.640 -1.149 1.00 0.00 C ATOM 0 H LEU A 62 -3.851 5.905 -4.696 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.404 7.145 -2.446 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.826 7.361 -4.045 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.946 7.856 -2.368 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.856 5.095 -3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.550 4.239 -2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.806 5.288 -4.348 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.064 5.909 -2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.815 4.612 -0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.252 6.297 -0.756 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.996 5.940 -0.746 1.00 0.00 H new ATOM 931 N ASP A 63 -5.181 9.469 -2.921 1.00 0.00 N ATOM 932 CA ASP A 63 -5.524 10.888 -2.965 1.00 0.00 C ATOM 933 C ASP A 63 -5.549 11.500 -1.569 1.00 0.00 C ATOM 934 O ASP A 63 -5.556 10.791 -0.570 1.00 0.00 O ATOM 935 CB ASP A 63 -6.886 11.073 -3.638 1.00 0.00 C ATOM 936 CG ASP A 63 -6.799 11.025 -5.151 1.00 0.00 C ATOM 937 OD1 ASP A 63 -5.704 11.287 -5.691 1.00 0.00 O ATOM 938 OD2 ASP A 63 -7.827 10.728 -5.795 1.00 0.00 O ATOM 0 H ASP A 63 -5.889 8.881 -2.480 1.00 0.00 H new ATOM 0 HA ASP A 63 -4.756 11.402 -3.544 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.567 10.295 -3.292 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.312 12.029 -3.332 1.00 0.00 H new ATOM 943 N THR A 64 -5.572 12.824 -1.503 1.00 0.00 N ATOM 944 CA THR A 64 -5.603 13.511 -0.219 1.00 0.00 C ATOM 945 C THR A 64 -6.982 13.388 0.425 1.00 0.00 C ATOM 946 O THR A 64 -7.091 13.031 1.592 1.00 0.00 O ATOM 947 CB THR A 64 -5.225 14.984 -0.382 1.00 0.00 C ATOM 948 OG1 THR A 64 -4.431 15.174 -1.540 1.00 0.00 O ATOM 949 CG2 THR A 64 -4.454 15.534 0.799 1.00 0.00 C ATOM 0 H THR A 64 -5.570 13.440 -2.316 1.00 0.00 H new ATOM 0 HA THR A 64 -4.871 13.037 0.434 1.00 0.00 H new ATOM 0 HB THR A 64 -6.171 15.520 -0.462 1.00 0.00 H new ATOM 0 HG1 THR A 64 -4.201 16.123 -1.627 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.216 16.583 0.622 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.059 15.447 1.701 1.00 0.00 H new ATOM 0 HG23 THR A 64 -3.531 14.969 0.926 1.00 0.00 H new ATOM 957 N PRO A 65 -8.063 13.679 -0.321 1.00 0.00 N ATOM 958 CA PRO A 65 -9.419 13.582 0.216 1.00 0.00 C ATOM 959 C PRO A 65 -9.871 12.134 0.416 1.00 0.00 C ATOM 960 O PRO A 65 -9.982 11.661 1.547 1.00 0.00 O ATOM 961 CB PRO A 65 -10.283 14.278 -0.838 1.00 0.00 C ATOM 962 CG PRO A 65 -9.499 14.225 -2.107 1.00 0.00 C ATOM 963 CD PRO A 65 -8.045 14.123 -1.728 1.00 0.00 C ATOM 0 HA PRO A 65 -9.491 14.036 1.204 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.243 13.775 -0.951 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.494 15.308 -0.552 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.800 13.368 -2.710 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.678 15.117 -2.708 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.518 13.411 -2.363 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.538 15.082 -1.836 1.00 0.00 H new ATOM 971 N GLY A 66 -10.143 11.441 -0.686 1.00 0.00 N ATOM 972 CA GLY A 66 -10.598 10.060 -0.621 1.00 0.00 C ATOM 973 C GLY A 66 -9.797 9.203 0.340 1.00 0.00 C ATOM 974 O GLY A 66 -10.341 8.667 1.304 1.00 0.00 O ATOM 0 H GLY A 66 -10.056 11.814 -1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.646 10.045 -0.322 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.545 9.621 -1.617 1.00 0.00 H new ATOM 978 N LEU A 67 -8.502 9.071 0.078 1.00 0.00 N ATOM 979 CA LEU A 67 -7.628 8.271 0.928 1.00 0.00 C ATOM 980 C LEU A 67 -7.790 8.667 2.395 1.00 0.00 C ATOM 981 O LEU A 67 -8.338 7.911 3.196 1.00 0.00 O ATOM 982 CB LEU A 67 -6.179 8.457 0.476 1.00 0.00 C ATOM 983 CG LEU A 67 -5.450 7.194 0.005 1.00 0.00 C ATOM 984 CD1 LEU A 67 -4.873 6.429 1.184 1.00 0.00 C ATOM 985 CD2 LEU A 67 -6.378 6.309 -0.815 1.00 0.00 C ATOM 0 H LEU A 67 -8.034 9.508 -0.716 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.902 7.220 0.836 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.164 9.184 -0.336 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.615 8.890 1.302 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.622 7.500 -0.634 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.361 5.537 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.165 7.063 1.718 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.679 6.137 1.858 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.839 5.418 -1.139 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.233 6.015 -0.206 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.728 6.859 -1.689 1.00 0.00 H new ATOM 997 N LEU A 68 -7.315 9.859 2.741 1.00 0.00 N ATOM 998 CA LEU A 68 -7.413 10.343 4.120 1.00 0.00 C ATOM 999 C LEU A 68 -8.831 10.190 4.672 1.00 0.00 C ATOM 1000 O LEU A 68 -9.023 10.108 5.884 1.00 0.00 O ATOM 1001 CB LEU A 68 -6.979 11.808 4.216 1.00 0.00 C ATOM 1002 CG LEU A 68 -5.562 12.036 4.747 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -4.536 11.735 3.669 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -5.405 13.463 5.252 1.00 0.00 C ATOM 0 H LEU A 68 -6.862 10.505 2.095 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.742 9.731 4.722 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.055 12.258 3.226 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.681 12.336 4.861 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.393 11.356 5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.534 11.902 4.064 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.633 10.696 3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.703 12.390 2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.391 13.607 5.626 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.593 14.161 4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.118 13.645 6.056 1.00 0.00 H new ATOM 1016 N ASP A 69 -9.825 10.159 3.789 1.00 0.00 N ATOM 1017 CA ASP A 69 -11.210 10.022 4.227 1.00 0.00 C ATOM 1018 C ASP A 69 -11.563 8.561 4.495 1.00 0.00 C ATOM 1019 O ASP A 69 -11.915 8.198 5.613 1.00 0.00 O ATOM 1020 CB ASP A 69 -12.162 10.604 3.181 1.00 0.00 C ATOM 1021 CG ASP A 69 -13.548 10.857 3.741 1.00 0.00 C ATOM 1022 OD1 ASP A 69 -13.705 10.819 4.980 1.00 0.00 O ATOM 1023 OD2 ASP A 69 -14.477 11.095 2.941 1.00 0.00 O ATOM 0 H ASP A 69 -9.700 10.226 2.779 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.320 10.578 5.158 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.751 11.538 2.799 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.233 9.918 2.337 1.00 0.00 H new ATOM 1028 N ALA A 70 -11.468 7.726 3.468 1.00 0.00 N ATOM 1029 CA ALA A 70 -11.788 6.308 3.613 1.00 0.00 C ATOM 1030 C ALA A 70 -10.732 5.569 4.438 1.00 0.00 C ATOM 1031 O ALA A 70 -10.896 4.390 4.751 1.00 0.00 O ATOM 1032 CB ALA A 70 -11.944 5.655 2.247 1.00 0.00 C ATOM 0 H ALA A 70 -11.174 8.002 2.531 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.734 6.239 4.150 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.182 4.599 2.374 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.749 6.145 1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -11.013 5.753 1.689 1.00 0.00 H new ATOM 1038 N LYS A 71 -9.653 6.264 4.796 1.00 0.00 N ATOM 1039 CA LYS A 71 -8.585 5.660 5.587 1.00 0.00 C ATOM 1040 C LYS A 71 -8.852 5.813 7.082 1.00 0.00 C ATOM 1041 O LYS A 71 -8.844 4.834 7.830 1.00 0.00 O ATOM 1042 CB LYS A 71 -7.239 6.307 5.256 1.00 0.00 C ATOM 1043 CG LYS A 71 -6.597 5.865 3.935 1.00 0.00 C ATOM 1044 CD LYS A 71 -6.854 4.398 3.588 1.00 0.00 C ATOM 1045 CE LYS A 71 -7.297 4.215 2.141 1.00 0.00 C ATOM 1046 NZ LYS A 71 -8.445 5.093 1.777 1.00 0.00 N ATOM 0 H LYS A 71 -9.497 7.242 4.551 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.555 4.600 5.337 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.373 7.388 5.230 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.543 6.091 6.067 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -6.977 6.492 3.129 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.521 6.033 3.990 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.946 3.821 3.763 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.619 3.998 4.253 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -6.458 4.427 1.479 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -7.575 3.174 1.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.576 5.083 0.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.309 4.744 2.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.252 6.065 2.092 1.00 0.00 H new ATOM 1060 N VAL A 72 -9.076 7.050 7.511 1.00 0.00 N ATOM 1061 CA VAL A 72 -9.332 7.340 8.916 1.00 0.00 C ATOM 1062 C VAL A 72 -10.649 6.736 9.375 1.00 0.00 C ATOM 1063 O VAL A 72 -10.721 6.119 10.436 1.00 0.00 O ATOM 1064 CB VAL A 72 -9.346 8.858 9.185 1.00 0.00 C ATOM 1065 CG1 VAL A 72 -8.029 9.481 8.752 1.00 0.00 C ATOM 1066 CG2 VAL A 72 -10.519 9.528 8.480 1.00 0.00 C ATOM 0 H VAL A 72 -9.085 7.870 6.904 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.518 6.889 9.483 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.469 9.015 10.257 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.052 10.553 8.947 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.211 9.028 9.311 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.878 9.310 7.686 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.505 10.598 8.687 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -10.439 9.365 7.405 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -11.454 9.101 8.843 1.00 0.00 H new ATOM 1076 N GLN A 73 -11.690 6.917 8.574 1.00 0.00 N ATOM 1077 CA GLN A 73 -13.003 6.390 8.904 1.00 0.00 C ATOM 1078 C GLN A 73 -12.956 4.873 9.052 1.00 0.00 C ATOM 1079 O GLN A 73 -13.338 4.331 10.086 1.00 0.00 O ATOM 1080 CB GLN A 73 -14.006 6.782 7.819 1.00 0.00 C ATOM 1081 CG GLN A 73 -13.987 8.265 7.479 1.00 0.00 C ATOM 1082 CD GLN A 73 -14.454 9.139 8.629 1.00 0.00 C ATOM 1083 OE1 GLN A 73 -14.264 8.802 9.797 1.00 0.00 O ATOM 1084 NE2 GLN A 73 -15.068 10.270 8.302 1.00 0.00 N ATOM 0 H GLN A 73 -11.649 7.425 7.691 1.00 0.00 H new ATOM 0 HA GLN A 73 -13.319 6.816 9.856 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.795 6.208 6.917 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -15.008 6.505 8.146 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.975 8.555 7.196 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.624 8.442 6.612 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -15.205 10.511 7.320 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -15.403 10.898 9.033 1.00 0.00 H new ATOM 1093 N GLU A 74 -12.476 4.195 8.014 1.00 0.00 N ATOM 1094 CA GLU A 74 -12.376 2.740 8.035 1.00 0.00 C ATOM 1095 C GLU A 74 -11.461 2.266 9.157 1.00 0.00 C ATOM 1096 O GLU A 74 -11.782 1.318 9.871 1.00 0.00 O ATOM 1097 CB GLU A 74 -11.866 2.215 6.696 1.00 0.00 C ATOM 1098 CG GLU A 74 -11.794 0.697 6.624 1.00 0.00 C ATOM 1099 CD GLU A 74 -13.017 0.017 7.215 1.00 0.00 C ATOM 1100 OE1 GLU A 74 -13.988 -0.214 6.464 1.00 0.00 O ATOM 1101 OE2 GLU A 74 -13.003 -0.283 8.427 1.00 0.00 O ATOM 0 H GLU A 74 -12.151 4.629 7.150 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.376 2.345 8.214 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.518 2.577 5.901 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.874 2.627 6.508 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -11.683 0.393 5.583 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.904 0.355 7.152 1.00 0.00 H new ATOM 1108 N ALA A 75 -10.319 2.930 9.307 1.00 0.00 N ATOM 1109 CA ALA A 75 -9.357 2.573 10.343 1.00 0.00 C ATOM 1110 C ALA A 75 -9.958 2.742 11.734 1.00 0.00 C ATOM 1111 O ALA A 75 -9.787 1.887 12.603 1.00 0.00 O ATOM 1112 CB ALA A 75 -8.099 3.414 10.206 1.00 0.00 C ATOM 0 H ALA A 75 -10.038 3.718 8.724 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.096 1.523 10.214 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.389 3.137 10.986 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.650 3.240 9.228 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.354 4.469 10.306 1.00 0.00 H new ATOM 1118 N LEU A 76 -10.662 3.849 11.938 1.00 0.00 N ATOM 1119 CA LEU A 76 -11.287 4.128 13.225 1.00 0.00 C ATOM 1120 C LEU A 76 -12.556 3.299 13.403 1.00 0.00 C ATOM 1121 O LEU A 76 -12.918 2.938 14.523 1.00 0.00 O ATOM 1122 CB LEU A 76 -11.607 5.620 13.347 1.00 0.00 C ATOM 1123 CG LEU A 76 -10.609 6.432 14.172 1.00 0.00 C ATOM 1124 CD1 LEU A 76 -11.023 7.893 14.221 1.00 0.00 C ATOM 1125 CD2 LEU A 76 -10.486 5.860 15.577 1.00 0.00 C ATOM 0 H LEU A 76 -10.814 4.567 11.230 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.585 3.853 14.012 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.660 6.047 12.346 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.596 5.728 13.792 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.633 6.369 13.692 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.301 8.456 14.813 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.056 8.296 13.209 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -12.010 7.977 14.677 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -9.771 6.451 16.149 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.458 5.891 16.069 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.140 4.828 15.521 1.00 0.00 H new ATOM 1137 N GLU A 77 -13.225 2.993 12.294 1.00 0.00 N ATOM 1138 CA GLU A 77 -14.450 2.200 12.339 1.00 0.00 C ATOM 1139 C GLU A 77 -14.154 0.771 12.783 1.00 0.00 C ATOM 1140 O GLU A 77 -14.816 0.241 13.676 1.00 0.00 O ATOM 1141 CB GLU A 77 -15.139 2.186 10.971 1.00 0.00 C ATOM 1142 CG GLU A 77 -16.642 1.968 11.050 1.00 0.00 C ATOM 1143 CD GLU A 77 -17.186 1.203 9.859 1.00 0.00 C ATOM 1144 OE1 GLU A 77 -16.375 0.703 9.051 1.00 0.00 O ATOM 1145 OE2 GLU A 77 -18.425 1.104 9.733 1.00 0.00 O ATOM 0 H GLU A 77 -12.941 3.281 11.358 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.119 2.662 13.065 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -14.943 3.131 10.465 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.698 1.399 10.359 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.879 1.424 11.965 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.142 2.934 11.115 1.00 0.00 H new ATOM 1152 N VAL A 78 -13.156 0.151 12.158 1.00 0.00 N ATOM 1153 CA VAL A 78 -12.782 -1.216 12.500 1.00 0.00 C ATOM 1154 C VAL A 78 -11.760 -1.241 13.632 1.00 0.00 C ATOM 1155 O VAL A 78 -11.864 -2.050 14.554 1.00 0.00 O ATOM 1156 CB VAL A 78 -12.216 -1.982 11.284 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -10.907 -1.370 10.808 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -12.028 -3.452 11.626 1.00 0.00 C ATOM 0 H VAL A 78 -12.596 0.572 11.417 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.695 -1.714 12.827 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.936 -1.902 10.469 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.533 -1.931 9.951 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.075 -0.333 10.518 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.174 -1.407 11.614 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.629 -3.979 10.759 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.332 -3.545 12.460 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.988 -3.887 11.904 1.00 0.00 H new