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 Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.876 F(o=-2.6!,f=-0.88) USER MOD Single : A 34 HIS :FLIP no HD1:sc= -14.8! C(o=-16!,f=-15!) USER MOD Single : A 39 ASN : amide:sc= -2.43! C(o=-2.4!,f=-5.9!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 84:sc= 1.17 USER MOD Single : A 49 MET CE :methyl 140:sc= -1.45 (180deg=-4.26!) USER MOD Single : A 53 MET CE :methyl -114:sc= -0.89 (180deg=-3.31!) USER MOD Single : A 55 ASN :FLIP amide:sc= -11.9! C(o=-13!,f=-12!) USER MOD Single : A 60 ASN : amide:sc= 0.468 X(o=0.47,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -116:sc= -1.11 (180deg=-1.65) USER MOD Single : A 73 GLN : amide:sc= -0.495 X(o=-0.49,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 362 N VAL A 26 7.058 1.993 -0.651 1.00 0.00 N ATOM 363 CA VAL A 26 6.974 3.437 -0.437 1.00 0.00 C ATOM 364 C VAL A 26 5.566 3.845 -0.017 1.00 0.00 C ATOM 365 O VAL A 26 5.389 4.663 0.887 1.00 0.00 O ATOM 366 CB VAL A 26 7.390 4.229 -1.701 1.00 0.00 C ATOM 367 CG1 VAL A 26 6.232 4.389 -2.677 1.00 0.00 C ATOM 368 CG2 VAL A 26 7.950 5.586 -1.314 1.00 0.00 C ATOM 0 HA VAL A 26 7.671 3.680 0.365 1.00 0.00 H new ATOM 0 HB VAL A 26 8.167 3.656 -2.207 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.566 4.950 -3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.882 3.406 -2.990 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.418 4.926 -2.191 1.00 0.00 H new ATOM 0 HG21 VAL A 26 8.238 6.131 -2.213 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.191 6.152 -0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.824 5.451 -0.676 1.00 0.00 H new ATOM 378 N LEU A 27 4.572 3.265 -0.679 1.00 0.00 N ATOM 379 CA LEU A 27 3.177 3.556 -0.382 1.00 0.00 C ATOM 380 C LEU A 27 2.921 3.535 1.121 1.00 0.00 C ATOM 381 O LEU A 27 2.397 4.494 1.678 1.00 0.00 O ATOM 382 CB LEU A 27 2.274 2.530 -1.074 1.00 0.00 C ATOM 383 CG LEU A 27 1.186 3.115 -1.975 1.00 0.00 C ATOM 384 CD1 LEU A 27 1.380 2.659 -3.414 1.00 0.00 C ATOM 385 CD2 LEU A 27 -0.197 2.721 -1.471 1.00 0.00 C ATOM 0 H LEU A 27 4.709 2.587 -1.429 1.00 0.00 H new ATOM 0 HA LEU A 27 2.950 4.555 -0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.899 1.866 -1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.798 1.916 -0.309 1.00 0.00 H new ATOM 0 HG LEU A 27 1.265 4.202 -1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.596 3.086 -4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.353 2.993 -3.773 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.330 1.571 -3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.958 3.147 -2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.287 1.635 -1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.337 3.099 -0.458 1.00 0.00 H new ATOM 397 N GLY A 28 3.296 2.435 1.767 1.00 0.00 N ATOM 398 CA GLY A 28 3.085 2.303 3.196 1.00 0.00 C ATOM 399 C GLY A 28 3.808 3.365 4.004 1.00 0.00 C ATOM 400 O GLY A 28 3.250 3.909 4.957 1.00 0.00 O ATOM 0 H GLY A 28 3.743 1.632 1.325 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.017 2.359 3.406 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.422 1.318 3.518 1.00 0.00 H new ATOM 404 N GLU A 29 5.045 3.669 3.629 1.00 0.00 N ATOM 405 CA GLU A 29 5.816 4.684 4.336 1.00 0.00 C ATOM 406 C GLU A 29 5.132 6.040 4.216 1.00 0.00 C ATOM 407 O GLU A 29 4.848 6.697 5.218 1.00 0.00 O ATOM 408 CB GLU A 29 7.238 4.764 3.777 1.00 0.00 C ATOM 409 CG GLU A 29 8.046 3.491 3.975 1.00 0.00 C ATOM 410 CD GLU A 29 9.477 3.769 4.386 1.00 0.00 C ATOM 411 OE1 GLU A 29 9.681 4.569 5.324 1.00 0.00 O ATOM 412 OE2 GLU A 29 10.395 3.189 3.769 1.00 0.00 O ATOM 0 H GLU A 29 5.532 3.232 2.847 1.00 0.00 H new ATOM 0 HA GLU A 29 5.871 4.405 5.388 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.188 4.990 2.712 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.760 5.593 4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.566 2.875 4.736 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.043 2.915 3.050 1.00 0.00 H new ATOM 419 N ARG A 30 4.865 6.446 2.980 1.00 0.00 N ATOM 420 CA ARG A 30 4.205 7.718 2.717 1.00 0.00 C ATOM 421 C ARG A 30 2.738 7.674 3.149 1.00 0.00 C ATOM 422 O ARG A 30 2.063 8.703 3.183 1.00 0.00 O ATOM 423 CB ARG A 30 4.294 8.067 1.227 1.00 0.00 C ATOM 424 CG ARG A 30 5.677 7.857 0.628 1.00 0.00 C ATOM 425 CD ARG A 30 6.454 9.162 0.546 1.00 0.00 C ATOM 426 NE ARG A 30 7.574 9.070 -0.387 1.00 0.00 N ATOM 427 CZ ARG A 30 7.436 9.024 -1.711 1.00 0.00 C ATOM 428 NH1 ARG A 30 6.231 9.074 -2.262 1.00 0.00 N ATOM 429 NH2 ARG A 30 8.509 8.931 -2.487 1.00 0.00 N ATOM 0 H ARG A 30 5.096 5.911 2.143 1.00 0.00 H new ATOM 0 HA ARG A 30 4.716 8.487 3.297 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.574 7.460 0.678 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.003 9.108 1.089 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.231 7.140 1.233 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.581 7.426 -0.369 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.785 9.964 0.233 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.826 9.426 1.536 1.00 0.00 H new ATOM 0 HE ARG A 30 8.518 9.039 -0.002 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.403 9.148 -1.671 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.132 9.038 -3.277 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.439 8.895 -2.069 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.404 8.896 -3.501 1.00 0.00 H new ATOM 443 N LEU A 31 2.245 6.477 3.472 1.00 0.00 N ATOM 444 CA LEU A 31 0.860 6.308 3.890 1.00 0.00 C ATOM 445 C LEU A 31 0.680 6.672 5.356 1.00 0.00 C ATOM 446 O LEU A 31 -0.072 7.583 5.699 1.00 0.00 O ATOM 447 CB LEU A 31 0.429 4.856 3.674 1.00 0.00 C ATOM 448 CG LEU A 31 -0.823 4.672 2.824 1.00 0.00 C ATOM 449 CD1 LEU A 31 -0.486 3.973 1.516 1.00 0.00 C ATOM 450 CD2 LEU A 31 -1.884 3.890 3.593 1.00 0.00 C ATOM 0 H LEU A 31 2.787 5.613 3.451 1.00 0.00 H new ATOM 0 HA LEU A 31 0.242 6.975 3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.251 4.316 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.259 4.395 4.647 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.225 5.658 2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -1.393 3.851 0.924 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.234 4.572 0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.056 2.994 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.770 3.769 2.970 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.491 2.909 3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.150 4.433 4.500 1.00 0.00 H new ATOM 462 N TYR A 32 1.378 5.944 6.217 1.00 0.00 N ATOM 463 CA TYR A 32 1.306 6.167 7.653 1.00 0.00 C ATOM 464 C TYR A 32 1.506 7.639 7.990 1.00 0.00 C ATOM 465 O TYR A 32 0.897 8.158 8.917 1.00 0.00 O ATOM 466 CB TYR A 32 2.366 5.304 8.360 1.00 0.00 C ATOM 467 CG TYR A 32 2.142 5.125 9.850 1.00 0.00 C ATOM 468 CD1 TYR A 32 2.099 6.216 10.707 1.00 0.00 C ATOM 469 CD2 TYR A 32 1.966 3.859 10.396 1.00 0.00 C ATOM 470 CE1 TYR A 32 1.889 6.052 12.063 1.00 0.00 C ATOM 471 CE2 TYR A 32 1.753 3.689 11.751 1.00 0.00 C ATOM 472 CZ TYR A 32 1.713 4.788 12.579 1.00 0.00 C ATOM 473 OH TYR A 32 1.500 4.620 13.928 1.00 0.00 O ATOM 0 H TYR A 32 2.005 5.188 5.942 1.00 0.00 H new ATOM 0 HA TYR A 32 0.314 5.879 8.002 1.00 0.00 H new ATOM 0 HB2 TYR A 32 2.389 4.321 7.889 1.00 0.00 H new ATOM 0 HB3 TYR A 32 3.346 5.755 8.205 1.00 0.00 H new ATOM 0 HD1 TYR A 32 2.232 7.210 10.307 1.00 0.00 H new ATOM 0 HD2 TYR A 32 1.996 2.994 9.751 1.00 0.00 H new ATOM 0 HE1 TYR A 32 1.863 6.912 12.715 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.618 2.698 12.159 1.00 0.00 H new ATOM 0 HH TYR A 32 1.394 3.666 14.126 1.00 0.00 H new ATOM 483 N ASN A 33 2.366 8.303 7.229 1.00 0.00 N ATOM 484 CA ASN A 33 2.656 9.715 7.451 1.00 0.00 C ATOM 485 C ASN A 33 1.462 10.605 7.132 1.00 0.00 C ATOM 486 O ASN A 33 1.229 11.605 7.812 1.00 0.00 O ATOM 487 CB ASN A 33 3.869 10.133 6.607 1.00 0.00 C ATOM 488 CG ASN A 33 3.995 11.637 6.437 1.00 0.00 C ATOM 489 OD1 ASN A 33 3.086 12.226 5.661 1.00 0.00 O flip ATOM 490 ND2 ASN A 33 4.897 12.263 6.994 1.00 0.00 N flip ATOM 0 H ASN A 33 2.876 7.886 6.451 1.00 0.00 H new ATOM 0 HA ASN A 33 2.880 9.845 8.510 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.777 9.750 7.074 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.796 9.668 5.624 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.572 11.772 7.580 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.969 13.273 6.870 1.00 0.00 H new ATOM 497 N HIS A 34 0.715 10.267 6.097 1.00 0.00 N ATOM 498 CA HIS A 34 -0.428 11.080 5.723 1.00 0.00 C ATOM 499 C HIS A 34 -1.450 11.101 6.851 1.00 0.00 C ATOM 500 O HIS A 34 -2.039 12.137 7.157 1.00 0.00 O ATOM 501 CB HIS A 34 -1.064 10.561 4.427 1.00 0.00 C ATOM 502 CG HIS A 34 -1.857 9.298 4.561 1.00 0.00 C ATOM 503 ND1 HIS A 34 -2.866 8.981 5.396 1.00 0.00 N flip ATOM 504 CD2 HIS A 34 -1.663 8.189 3.768 1.00 0.00 C flip ATOM 505 CE1 HIS A 34 -3.261 7.704 5.105 1.00 0.00 C flip ATOM 506 NE2 HIS A 34 -2.520 7.245 4.123 1.00 0.00 N flip ATOM 0 H HIS A 34 0.875 9.449 5.509 1.00 0.00 H new ATOM 0 HA HIS A 34 -0.084 12.099 5.546 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -1.715 11.338 4.025 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -0.273 10.398 3.695 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -0.928 8.103 2.981 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.052 7.162 5.602 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -2.593 6.318 3.704 1.00 0.00 H new ATOM 515 N ILE A 35 -1.659 9.938 7.442 1.00 0.00 N ATOM 516 CA ILE A 35 -2.624 9.776 8.526 1.00 0.00 C ATOM 517 C ILE A 35 -1.978 9.846 9.918 1.00 0.00 C ATOM 518 O ILE A 35 -2.681 10.024 10.910 1.00 0.00 O ATOM 519 CB ILE A 35 -3.405 8.447 8.383 1.00 0.00 C ATOM 520 CG1 ILE A 35 -4.213 8.144 9.645 1.00 0.00 C ATOM 521 CG2 ILE A 35 -2.468 7.295 8.059 1.00 0.00 C ATOM 522 CD1 ILE A 35 -5.458 7.337 9.371 1.00 0.00 C ATOM 0 H ILE A 35 -1.169 9.080 7.189 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.314 10.616 8.441 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.103 8.562 7.553 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -3.584 7.602 10.351 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -4.493 9.082 10.124 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.043 6.374 7.964 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.952 7.499 7.121 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.736 7.185 8.859 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.987 7.155 10.307 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.106 7.888 8.689 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -5.182 6.384 8.919 1.00 0.00 H new ATOM 534 N VAL A 36 -0.658 9.696 10.009 1.00 0.00 N ATOM 535 CA VAL A 36 0.004 9.743 11.316 1.00 0.00 C ATOM 536 C VAL A 36 -0.322 11.043 12.043 1.00 0.00 C ATOM 537 O VAL A 36 -0.715 11.035 13.210 1.00 0.00 O ATOM 538 CB VAL A 36 1.544 9.596 11.220 1.00 0.00 C ATOM 539 CG1 VAL A 36 2.174 10.776 10.499 1.00 0.00 C ATOM 540 CG2 VAL A 36 2.155 9.437 12.606 1.00 0.00 C ATOM 0 H VAL A 36 -0.036 9.544 9.215 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.381 8.891 11.876 1.00 0.00 H new ATOM 0 HB VAL A 36 1.752 8.698 10.638 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.254 10.638 10.451 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.771 10.842 9.488 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.949 11.695 11.040 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.237 9.335 12.517 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.921 10.314 13.209 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.745 8.548 13.085 1.00 0.00 H new ATOM 550 N ALA A 37 -0.149 12.158 11.342 1.00 0.00 N ATOM 551 CA ALA A 37 -0.416 13.470 11.910 1.00 0.00 C ATOM 552 C ALA A 37 -1.912 13.714 12.033 1.00 0.00 C ATOM 553 O ALA A 37 -2.352 14.573 12.798 1.00 0.00 O ATOM 554 CB ALA A 37 0.230 14.547 11.052 1.00 0.00 C ATOM 0 H ALA A 37 0.176 12.177 10.375 1.00 0.00 H new ATOM 0 HA ALA A 37 0.014 13.508 12.911 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.026 15.527 11.483 1.00 0.00 H new ATOM 0 HB2 ALA A 37 1.307 14.384 11.014 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.179 14.502 10.043 1.00 0.00 H new ATOM 560 N ILE A 38 -2.691 12.958 11.268 1.00 0.00 N ATOM 561 CA ILE A 38 -4.144 13.110 11.295 1.00 0.00 C ATOM 562 C ILE A 38 -4.801 12.176 12.309 1.00 0.00 C ATOM 563 O ILE A 38 -5.351 12.629 13.312 1.00 0.00 O ATOM 564 CB ILE A 38 -4.766 12.875 9.906 1.00 0.00 C ATOM 565 CG1 ILE A 38 -3.966 13.626 8.838 1.00 0.00 C ATOM 566 CG2 ILE A 38 -6.224 13.317 9.896 1.00 0.00 C ATOM 567 CD1 ILE A 38 -3.784 15.099 9.136 1.00 0.00 C ATOM 0 H ILE A 38 -2.348 12.241 10.628 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.334 14.139 11.599 1.00 0.00 H new ATOM 0 HB ILE A 38 -4.731 11.809 9.680 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.985 13.161 8.738 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.469 13.518 7.877 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -6.650 13.145 8.907 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.783 12.745 10.637 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -6.284 14.378 10.137 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.208 15.564 8.336 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.760 15.579 9.207 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.253 15.216 10.080 1.00 0.00 H new ATOM 579 N ASN A 39 -4.732 10.875 12.051 1.00 0.00 N ATOM 580 CA ASN A 39 -5.313 9.888 12.955 1.00 0.00 C ATOM 581 C ASN A 39 -4.272 8.864 13.400 1.00 0.00 C ATOM 582 O ASN A 39 -4.199 7.763 12.855 1.00 0.00 O ATOM 583 CB ASN A 39 -6.500 9.189 12.293 1.00 0.00 C ATOM 584 CG ASN A 39 -7.814 9.877 12.613 1.00 0.00 C ATOM 585 OD1 ASN A 39 -8.572 10.244 11.719 1.00 0.00 O ATOM 586 ND2 ASN A 39 -8.086 10.060 13.900 1.00 0.00 N ATOM 0 H ASN A 39 -4.281 10.479 11.226 1.00 0.00 H new ATOM 0 HA ASN A 39 -5.667 10.414 13.842 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.354 9.170 11.213 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.543 8.152 12.627 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -8.953 10.521 14.178 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.428 9.740 14.611 1.00 0.00 H new ATOM 593 N PRO A 40 -3.450 9.215 14.405 1.00 0.00 N ATOM 594 CA PRO A 40 -2.411 8.320 14.924 1.00 0.00 C ATOM 595 C PRO A 40 -2.958 6.942 15.278 1.00 0.00 C ATOM 596 O PRO A 40 -2.242 5.942 15.215 1.00 0.00 O ATOM 597 CB PRO A 40 -1.918 9.039 16.180 1.00 0.00 C ATOM 598 CG PRO A 40 -2.210 10.478 15.931 1.00 0.00 C ATOM 599 CD PRO A 40 -3.471 10.509 15.111 1.00 0.00 C ATOM 0 HA PRO A 40 -1.628 8.134 14.189 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.433 8.679 17.070 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.853 8.873 16.339 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.341 11.018 16.869 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -1.387 10.957 15.400 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.356 10.610 15.739 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.477 11.347 14.414 1.00 0.00 H new ATOM 607 N ALA A 41 -4.234 6.896 15.649 1.00 0.00 N ATOM 608 CA ALA A 41 -4.881 5.641 16.010 1.00 0.00 C ATOM 609 C ALA A 41 -5.570 5.015 14.804 1.00 0.00 C ATOM 610 O ALA A 41 -6.713 4.564 14.893 1.00 0.00 O ATOM 611 CB ALA A 41 -5.881 5.870 17.135 1.00 0.00 C ATOM 0 H ALA A 41 -4.840 7.714 15.707 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.114 4.948 16.356 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.358 4.925 17.396 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.362 6.268 18.007 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.640 6.581 16.808 1.00 0.00 H new ATOM 617 N ALA A 42 -4.870 4.990 13.675 1.00 0.00 N ATOM 618 CA ALA A 42 -5.415 4.421 12.451 1.00 0.00 C ATOM 619 C ALA A 42 -4.303 4.044 11.486 1.00 0.00 C ATOM 620 O ALA A 42 -4.327 2.971 10.888 1.00 0.00 O ATOM 621 CB ALA A 42 -6.366 5.397 11.794 1.00 0.00 C ATOM 0 H ALA A 42 -3.923 5.358 13.584 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.963 3.516 12.713 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.765 4.957 10.880 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.186 5.622 12.476 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.833 6.317 11.551 1.00 0.00 H new ATOM 627 N ALA A 43 -3.330 4.944 11.340 1.00 0.00 N ATOM 628 CA ALA A 43 -2.192 4.722 10.451 1.00 0.00 C ATOM 629 C ALA A 43 -1.769 3.256 10.459 1.00 0.00 C ATOM 630 O ALA A 43 -1.642 2.625 9.411 1.00 0.00 O ATOM 631 CB ALA A 43 -1.028 5.599 10.872 1.00 0.00 C ATOM 0 H ALA A 43 -3.309 5.838 11.830 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.494 4.984 9.437 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.183 5.428 10.205 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -1.325 6.647 10.821 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.738 5.354 11.894 1.00 0.00 H new ATOM 637 N ALA A 44 -1.554 2.721 11.659 1.00 0.00 N ATOM 638 CA ALA A 44 -1.146 1.331 11.819 1.00 0.00 C ATOM 639 C ALA A 44 -2.081 0.384 11.072 1.00 0.00 C ATOM 640 O ALA A 44 -1.642 -0.594 10.467 1.00 0.00 O ATOM 641 CB ALA A 44 -1.095 0.969 13.296 1.00 0.00 C ATOM 0 H ALA A 44 -1.656 3.232 12.536 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.151 1.221 11.389 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.789 -0.072 13.405 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.377 1.613 13.804 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.082 1.105 13.738 1.00 0.00 H new ATOM 647 N LYS A 45 -3.375 0.685 11.118 1.00 0.00 N ATOM 648 CA LYS A 45 -4.376 -0.132 10.444 1.00 0.00 C ATOM 649 C LYS A 45 -4.471 0.237 8.970 1.00 0.00 C ATOM 650 O LYS A 45 -4.468 -0.632 8.099 1.00 0.00 O ATOM 651 CB LYS A 45 -5.740 0.041 11.114 1.00 0.00 C ATOM 652 CG LYS A 45 -5.808 -0.545 12.515 1.00 0.00 C ATOM 653 CD LYS A 45 -6.237 -2.006 12.492 1.00 0.00 C ATOM 654 CE LYS A 45 -5.269 -2.885 13.268 1.00 0.00 C ATOM 655 NZ LYS A 45 -5.072 -4.207 12.614 1.00 0.00 N ATOM 0 H LYS A 45 -3.755 1.490 11.616 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.071 -1.176 10.521 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.980 1.103 11.161 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -6.502 -0.431 10.494 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.832 -0.459 12.993 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.510 0.031 13.117 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -7.236 -2.099 12.918 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.297 -2.352 11.460 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.309 -2.377 13.356 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.645 -3.033 14.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.405 -4.776 13.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.984 -4.703 12.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.689 -4.067 11.657 1.00 0.00 H new ATOM 669 N VAL A 46 -4.549 1.532 8.698 1.00 0.00 N ATOM 670 CA VAL A 46 -4.637 2.024 7.330 1.00 0.00 C ATOM 671 C VAL A 46 -3.430 1.590 6.514 1.00 0.00 C ATOM 672 O VAL A 46 -3.573 1.065 5.415 1.00 0.00 O ATOM 673 CB VAL A 46 -4.748 3.560 7.299 1.00 0.00 C ATOM 674 CG1 VAL A 46 -4.636 4.085 5.875 1.00 0.00 C ATOM 675 CG2 VAL A 46 -6.050 4.000 7.939 1.00 0.00 C ATOM 0 H VAL A 46 -4.553 2.263 9.409 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.537 1.594 6.890 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.921 3.980 7.871 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.717 5.172 5.880 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.673 3.795 5.455 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.438 3.664 5.268 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.119 5.087 7.912 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.888 3.569 7.391 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -6.080 3.660 8.974 1.00 0.00 H new ATOM 685 N THR A 47 -2.247 1.823 7.056 1.00 0.00 N ATOM 686 CA THR A 47 -1.005 1.469 6.384 1.00 0.00 C ATOM 687 C THR A 47 -0.883 -0.039 6.193 1.00 0.00 C ATOM 688 O THR A 47 -0.570 -0.515 5.102 1.00 0.00 O ATOM 689 CB THR A 47 0.184 1.996 7.189 1.00 0.00 C ATOM 690 OG1 THR A 47 0.018 3.372 7.480 1.00 0.00 O ATOM 691 CG2 THR A 47 1.512 1.840 6.481 1.00 0.00 C ATOM 0 H THR A 47 -2.119 2.260 7.969 1.00 0.00 H new ATOM 0 HA THR A 47 -1.010 1.929 5.396 1.00 0.00 H new ATOM 0 HB THR A 47 0.203 1.393 8.097 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.542 3.472 8.278 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.309 2.235 7.111 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.696 0.784 6.282 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.489 2.388 5.539 1.00 0.00 H new ATOM 699 N GLY A 48 -1.103 -0.783 7.268 1.00 0.00 N ATOM 700 CA GLY A 48 -0.988 -2.226 7.209 1.00 0.00 C ATOM 701 C GLY A 48 -2.107 -2.869 6.429 1.00 0.00 C ATOM 702 O GLY A 48 -1.864 -3.636 5.498 1.00 0.00 O ATOM 0 H GLY A 48 -1.360 -0.411 8.183 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.034 -2.492 6.754 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.980 -2.627 8.222 1.00 0.00 H new ATOM 706 N MET A 49 -3.336 -2.560 6.811 1.00 0.00 N ATOM 707 CA MET A 49 -4.495 -3.118 6.138 1.00 0.00 C ATOM 708 C MET A 49 -4.700 -2.479 4.775 1.00 0.00 C ATOM 709 O MET A 49 -4.856 -3.183 3.783 1.00 0.00 O ATOM 710 CB MET A 49 -5.753 -2.930 6.988 1.00 0.00 C ATOM 711 CG MET A 49 -5.637 -3.516 8.382 1.00 0.00 C ATOM 712 SD MET A 49 -5.441 -5.307 8.362 1.00 0.00 S ATOM 713 CE MET A 49 -3.665 -5.451 8.184 1.00 0.00 C ATOM 0 H MET A 49 -3.555 -1.928 7.581 1.00 0.00 H new ATOM 0 HA MET A 49 -4.313 -4.183 5.998 1.00 0.00 H new ATOM 0 HB2 MET A 49 -5.972 -1.865 7.068 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.598 -3.392 6.478 1.00 0.00 H new ATOM 0 HG2 MET A 49 -4.785 -3.066 8.892 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.526 -3.257 8.957 1.00 0.00 H new ATOM 0 HE1 MET A 49 -3.301 -6.265 8.811 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.419 -5.658 7.142 1.00 0.00 H new ATOM 0 HE3 MET A 49 -3.192 -4.518 8.490 1.00 0.00 H new ATOM 723 N LEU A 50 -4.724 -1.138 4.752 1.00 0.00 N ATOM 724 CA LEU A 50 -4.951 -0.355 3.524 1.00 0.00 C ATOM 725 C LEU A 50 -5.760 -1.117 2.478 1.00 0.00 C ATOM 726 O LEU A 50 -6.895 -0.755 2.165 1.00 0.00 O ATOM 727 CB LEU A 50 -3.627 0.076 2.901 1.00 0.00 C ATOM 728 CG LEU A 50 -3.775 1.052 1.731 1.00 0.00 C ATOM 729 CD1 LEU A 50 -4.472 2.326 2.182 1.00 0.00 C ATOM 730 CD2 LEU A 50 -2.420 1.366 1.113 1.00 0.00 C ATOM 0 H LEU A 50 -4.587 -0.564 5.584 1.00 0.00 H new ATOM 0 HA LEU A 50 -5.526 0.519 3.829 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.009 0.539 3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -3.095 -0.810 2.556 1.00 0.00 H new ATOM 0 HG LEU A 50 -4.391 0.578 0.967 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.568 3.007 1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.463 2.082 2.566 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.886 2.803 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.551 2.061 0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.772 1.816 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.965 0.446 0.747 1.00 0.00 H new ATOM 742 N LEU A 51 -5.164 -2.176 1.945 1.00 0.00 N ATOM 743 CA LEU A 51 -5.807 -2.999 0.935 1.00 0.00 C ATOM 744 C LEU A 51 -6.979 -3.779 1.519 1.00 0.00 C ATOM 745 O LEU A 51 -6.906 -4.992 1.697 1.00 0.00 O ATOM 746 CB LEU A 51 -4.781 -3.948 0.319 1.00 0.00 C ATOM 747 CG LEU A 51 -3.658 -3.250 -0.455 1.00 0.00 C ATOM 748 CD1 LEU A 51 -2.292 -3.627 0.101 1.00 0.00 C ATOM 749 CD2 LEU A 51 -3.749 -3.580 -1.936 1.00 0.00 C ATOM 0 H LEU A 51 -4.226 -2.485 2.201 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.205 -2.346 0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -4.339 -4.550 1.113 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -5.296 -4.635 -0.353 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.780 -2.174 -0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.514 -3.117 -0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.230 -3.329 1.148 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.152 -4.705 0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.944 -3.076 -2.471 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.658 -4.657 -2.075 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.710 -3.243 -2.325 1.00 0.00 H new ATOM 761 N GLU A 52 -8.064 -3.064 1.806 1.00 0.00 N ATOM 762 CA GLU A 52 -9.262 -3.678 2.361 1.00 0.00 C ATOM 763 C GLU A 52 -10.233 -4.061 1.249 1.00 0.00 C ATOM 764 O GLU A 52 -9.980 -3.800 0.075 1.00 0.00 O ATOM 765 CB GLU A 52 -9.937 -2.719 3.345 1.00 0.00 C ATOM 766 CG GLU A 52 -9.136 -2.489 4.615 1.00 0.00 C ATOM 767 CD GLU A 52 -9.206 -3.665 5.570 1.00 0.00 C ATOM 768 OE1 GLU A 52 -9.101 -4.817 5.101 1.00 0.00 O ATOM 769 OE2 GLU A 52 -9.364 -3.433 6.787 1.00 0.00 O ATOM 0 H GLU A 52 -8.136 -2.057 1.662 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.972 -4.584 2.893 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -10.102 -1.762 2.851 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.918 -3.114 3.610 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -8.095 -2.299 4.354 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.507 -1.595 5.117 1.00 0.00 H new ATOM 776 N MET A 53 -11.335 -4.701 1.620 1.00 0.00 N ATOM 777 CA MET A 53 -12.321 -5.131 0.638 1.00 0.00 C ATOM 778 C MET A 53 -12.995 -3.938 -0.039 1.00 0.00 C ATOM 779 O MET A 53 -12.881 -3.760 -1.253 1.00 0.00 O ATOM 780 CB MET A 53 -13.377 -6.011 1.308 1.00 0.00 C ATOM 781 CG MET A 53 -12.821 -7.312 1.858 1.00 0.00 C ATOM 782 SD MET A 53 -12.457 -8.516 0.566 1.00 0.00 S ATOM 783 CE MET A 53 -10.781 -8.053 0.133 1.00 0.00 C ATOM 0 H MET A 53 -11.567 -4.932 2.586 1.00 0.00 H new ATOM 0 HA MET A 53 -11.800 -5.704 -0.129 1.00 0.00 H new ATOM 0 HB2 MET A 53 -13.842 -5.452 2.120 1.00 0.00 H new ATOM 0 HB3 MET A 53 -14.162 -6.237 0.586 1.00 0.00 H new ATOM 0 HG2 MET A 53 -11.911 -7.104 2.421 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.538 -7.742 2.557 1.00 0.00 H new ATOM 0 HE1 MET A 53 -10.761 -7.670 -0.887 1.00 0.00 H new ATOM 0 HE2 MET A 53 -10.428 -7.281 0.817 1.00 0.00 H new ATOM 0 HE3 MET A 53 -10.132 -8.926 0.205 1.00 0.00 H new ATOM 793 N ASP A 54 -13.687 -3.117 0.744 1.00 0.00 N ATOM 794 CA ASP A 54 -14.367 -1.948 0.204 1.00 0.00 C ATOM 795 C ASP A 54 -13.455 -0.728 0.235 1.00 0.00 C ATOM 796 O ASP A 54 -13.000 -0.252 -0.808 1.00 0.00 O ATOM 797 CB ASP A 54 -15.661 -1.677 0.970 1.00 0.00 C ATOM 798 CG ASP A 54 -15.464 -1.588 2.471 1.00 0.00 C ATOM 799 OD1 ASP A 54 -14.793 -2.476 3.036 1.00 0.00 O ATOM 800 OD2 ASP A 54 -15.978 -0.627 3.082 1.00 0.00 O ATOM 0 H ASP A 54 -13.791 -3.240 1.751 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.622 -2.152 -0.836 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -16.098 -0.745 0.612 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -16.377 -2.469 0.751 1.00 0.00 H new ATOM 805 N ASN A 55 -13.190 -0.224 1.432 1.00 0.00 N ATOM 806 CA ASN A 55 -12.335 0.936 1.598 1.00 0.00 C ATOM 807 C ASN A 55 -10.997 0.743 0.885 1.00 0.00 C ATOM 808 O ASN A 55 -10.299 1.714 0.587 1.00 0.00 O ATOM 809 CB ASN A 55 -12.111 1.203 3.083 1.00 0.00 C ATOM 810 CG ASN A 55 -11.832 2.661 3.352 1.00 0.00 C ATOM 811 OD1 ASN A 55 -10.591 3.057 3.147 1.00 0.00 O flip ATOM 812 ND2 ASN A 55 -12.725 3.424 3.723 1.00 0.00 N flip ATOM 0 H ASN A 55 -13.558 -0.604 2.304 1.00 0.00 H new ATOM 0 HA ASN A 55 -12.831 1.796 1.148 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -12.991 0.891 3.646 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -11.275 0.601 3.439 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -13.671 3.070 3.868 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -12.519 4.410 3.885 1.00 0.00 H new ATOM 819 N GLY A 56 -10.648 -0.511 0.603 1.00 0.00 N ATOM 820 CA GLY A 56 -9.405 -0.793 -0.079 1.00 0.00 C ATOM 821 C GLY A 56 -9.450 -0.406 -1.544 1.00 0.00 C ATOM 822 O GLY A 56 -8.681 0.445 -1.980 1.00 0.00 O ATOM 0 H GLY A 56 -11.206 -1.332 0.836 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.594 -0.255 0.412 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.180 -1.856 0.007 1.00 0.00 H new ATOM 826 N GLU A 57 -10.344 -1.033 -2.313 1.00 0.00 N ATOM 827 CA GLU A 57 -10.458 -0.735 -3.746 1.00 0.00 C ATOM 828 C GLU A 57 -10.192 0.735 -4.044 1.00 0.00 C ATOM 829 O GLU A 57 -9.384 1.065 -4.910 1.00 0.00 O ATOM 830 CB GLU A 57 -11.841 -1.101 -4.267 1.00 0.00 C ATOM 831 CG GLU A 57 -12.268 -2.516 -3.930 1.00 0.00 C ATOM 832 CD GLU A 57 -11.263 -3.554 -4.390 1.00 0.00 C ATOM 833 OE1 GLU A 57 -10.098 -3.493 -3.941 1.00 0.00 O ATOM 834 OE2 GLU A 57 -11.640 -4.429 -5.197 1.00 0.00 O ATOM 0 H GLU A 57 -10.993 -1.743 -1.974 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.702 -1.336 -4.251 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -12.570 -0.404 -3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -11.856 -0.975 -5.350 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.407 -2.603 -2.852 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.233 -2.720 -4.393 1.00 0.00 H new ATOM 841 N ILE A 58 -10.876 1.615 -3.325 1.00 0.00 N ATOM 842 CA ILE A 58 -10.705 3.051 -3.519 1.00 0.00 C ATOM 843 C ILE A 58 -9.238 3.446 -3.382 1.00 0.00 C ATOM 844 O ILE A 58 -8.717 4.228 -4.176 1.00 0.00 O ATOM 845 CB ILE A 58 -11.558 3.850 -2.512 1.00 0.00 C ATOM 846 CG1 ILE A 58 -13.045 3.590 -2.760 1.00 0.00 C ATOM 847 CG2 ILE A 58 -11.256 5.346 -2.598 1.00 0.00 C ATOM 848 CD1 ILE A 58 -13.843 3.396 -1.489 1.00 0.00 C ATOM 0 H ILE A 58 -11.552 1.362 -2.604 1.00 0.00 H new ATOM 0 HA ILE A 58 -11.041 3.290 -4.528 1.00 0.00 H new ATOM 0 HB ILE A 58 -11.302 3.514 -1.507 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -13.464 4.427 -3.319 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -13.152 2.704 -3.386 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -11.872 5.884 -1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -10.203 5.518 -2.375 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -11.478 5.705 -3.603 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.888 3.216 -1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -13.449 2.541 -0.939 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -13.767 4.291 -0.871 1.00 0.00 H new ATOM 860 N LEU A 59 -8.584 2.909 -2.355 1.00 0.00 N ATOM 861 CA LEU A 59 -7.184 3.207 -2.092 1.00 0.00 C ATOM 862 C LEU A 59 -6.339 3.177 -3.363 1.00 0.00 C ATOM 863 O LEU A 59 -5.323 3.869 -3.456 1.00 0.00 O ATOM 864 CB LEU A 59 -6.627 2.227 -1.061 1.00 0.00 C ATOM 865 CG LEU A 59 -6.104 0.898 -1.613 1.00 0.00 C ATOM 866 CD1 LEU A 59 -4.682 1.043 -2.137 1.00 0.00 C ATOM 867 CD2 LEU A 59 -6.168 -0.162 -0.530 1.00 0.00 C ATOM 0 H LEU A 59 -9.007 2.262 -1.689 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.133 4.221 -1.696 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.816 2.718 -0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.409 2.013 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.734 0.595 -2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.337 0.084 -2.523 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.663 1.784 -2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.027 1.366 -1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.796 -1.108 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.554 0.145 0.317 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.200 -0.287 -0.203 1.00 0.00 H new ATOM 879 N ASN A 60 -6.758 2.372 -4.333 1.00 0.00 N ATOM 880 CA ASN A 60 -6.029 2.251 -5.597 1.00 0.00 C ATOM 881 C ASN A 60 -5.649 3.621 -6.163 1.00 0.00 C ATOM 882 O ASN A 60 -4.710 3.733 -6.951 1.00 0.00 O ATOM 883 CB ASN A 60 -6.869 1.485 -6.621 1.00 0.00 C ATOM 884 CG ASN A 60 -6.043 0.516 -7.452 1.00 0.00 C ATOM 885 OD1 ASN A 60 -6.398 -0.654 -7.589 1.00 0.00 O ATOM 886 ND2 ASN A 60 -4.939 1.001 -8.007 1.00 0.00 N ATOM 0 H ASN A 60 -7.596 1.794 -4.272 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.110 1.702 -5.395 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.654 0.934 -6.102 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.363 2.196 -7.284 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.345 0.396 -8.575 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.684 1.979 -7.866 1.00 0.00 H new ATOM 893 N LEU A 61 -6.384 4.660 -5.765 1.00 0.00 N ATOM 894 CA LEU A 61 -6.118 6.011 -6.246 1.00 0.00 C ATOM 895 C LEU A 61 -5.621 6.926 -5.130 1.00 0.00 C ATOM 896 O LEU A 61 -6.289 7.900 -4.789 1.00 0.00 O ATOM 897 CB LEU A 61 -7.384 6.608 -6.864 1.00 0.00 C ATOM 898 CG LEU A 61 -7.876 5.920 -8.139 1.00 0.00 C ATOM 899 CD1 LEU A 61 -9.358 5.592 -8.035 1.00 0.00 C ATOM 900 CD2 LEU A 61 -7.608 6.797 -9.352 1.00 0.00 C ATOM 0 H LEU A 61 -7.165 4.590 -5.113 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.334 5.938 -6.999 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -8.182 6.574 -6.122 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.199 7.659 -7.086 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.327 4.986 -8.259 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -9.688 5.103 -8.952 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -9.525 4.926 -7.189 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -9.925 6.512 -7.890 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.964 6.293 -10.251 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -8.131 7.747 -9.237 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.537 6.981 -9.439 1.00 0.00 H new ATOM 912 N LEU A 62 -4.458 6.598 -4.558 1.00 0.00 N ATOM 913 CA LEU A 62 -3.866 7.385 -3.468 1.00 0.00 C ATOM 914 C LEU A 62 -4.165 8.881 -3.605 1.00 0.00 C ATOM 915 O LEU A 62 -3.348 9.643 -4.124 1.00 0.00 O ATOM 916 CB LEU A 62 -2.356 7.156 -3.428 1.00 0.00 C ATOM 917 CG LEU A 62 -1.922 5.875 -2.727 1.00 0.00 C ATOM 918 CD1 LEU A 62 -0.716 5.266 -3.427 1.00 0.00 C ATOM 919 CD2 LEU A 62 -1.617 6.143 -1.262 1.00 0.00 C ATOM 0 H LEU A 62 -3.904 5.787 -4.833 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.318 7.048 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.978 7.140 -4.450 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.887 8.004 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.743 5.160 -2.777 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.420 4.352 -2.913 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.974 5.034 -4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.111 5.976 -3.410 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.309 5.216 -0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.814 6.876 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.509 6.530 -0.769 1.00 0.00 H new ATOM 931 N ASP A 63 -5.348 9.284 -3.148 1.00 0.00 N ATOM 932 CA ASP A 63 -5.772 10.680 -3.226 1.00 0.00 C ATOM 933 C ASP A 63 -5.614 11.382 -1.883 1.00 0.00 C ATOM 934 O ASP A 63 -5.491 10.737 -0.847 1.00 0.00 O ATOM 935 CB ASP A 63 -7.230 10.767 -3.692 1.00 0.00 C ATOM 936 CG ASP A 63 -7.347 11.134 -5.158 1.00 0.00 C ATOM 937 OD1 ASP A 63 -7.016 12.285 -5.510 1.00 0.00 O ATOM 938 OD2 ASP A 63 -7.772 10.271 -5.955 1.00 0.00 O ATOM 0 H ASP A 63 -6.032 8.661 -2.718 1.00 0.00 H new ATOM 0 HA ASP A 63 -5.132 11.183 -3.951 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.721 9.809 -3.520 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -7.757 11.508 -3.091 1.00 0.00 H new ATOM 943 N THR A 64 -5.622 12.710 -1.904 1.00 0.00 N ATOM 944 CA THR A 64 -5.478 13.475 -0.677 1.00 0.00 C ATOM 945 C THR A 64 -6.765 13.418 0.138 1.00 0.00 C ATOM 946 O THR A 64 -6.738 13.063 1.310 1.00 0.00 O ATOM 947 CB THR A 64 -5.089 14.924 -0.978 1.00 0.00 C ATOM 948 OG1 THR A 64 -3.878 14.972 -1.712 1.00 0.00 O ATOM 949 CG2 THR A 64 -4.902 15.766 0.265 1.00 0.00 C ATOM 0 H THR A 64 -5.726 13.272 -2.749 1.00 0.00 H new ATOM 0 HA THR A 64 -4.676 13.029 -0.088 1.00 0.00 H new ATOM 0 HB THR A 64 -5.920 15.333 -1.552 1.00 0.00 H new ATOM 0 HG1 THR A 64 -3.645 15.906 -1.898 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.627 16.781 -0.021 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.832 15.788 0.833 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.112 15.336 0.880 1.00 0.00 H new ATOM 957 N PRO A 65 -7.918 13.750 -0.467 1.00 0.00 N ATOM 958 CA PRO A 65 -9.199 13.709 0.232 1.00 0.00 C ATOM 959 C PRO A 65 -9.735 12.285 0.387 1.00 0.00 C ATOM 960 O PRO A 65 -9.849 11.775 1.500 1.00 0.00 O ATOM 961 CB PRO A 65 -10.120 14.544 -0.657 1.00 0.00 C ATOM 962 CG PRO A 65 -9.538 14.458 -2.029 1.00 0.00 C ATOM 963 CD PRO A 65 -8.062 14.180 -1.872 1.00 0.00 C ATOM 0 HA PRO A 65 -9.119 14.088 1.251 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.139 14.158 -0.638 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -10.165 15.578 -0.314 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -10.020 13.666 -2.602 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.698 15.388 -2.574 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -7.728 13.405 -2.561 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.466 15.069 -2.079 1.00 0.00 H new ATOM 971 N GLY A 66 -10.072 11.650 -0.738 1.00 0.00 N ATOM 972 CA GLY A 66 -10.609 10.296 -0.714 1.00 0.00 C ATOM 973 C GLY A 66 -9.850 9.367 0.210 1.00 0.00 C ATOM 974 O GLY A 66 -10.427 8.797 1.137 1.00 0.00 O ATOM 0 H GLY A 66 -9.982 12.053 -1.671 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.653 10.332 -0.404 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -10.590 9.887 -1.724 1.00 0.00 H new ATOM 978 N LEU A 67 -8.555 9.210 -0.037 1.00 0.00 N ATOM 979 CA LEU A 67 -7.723 8.343 0.785 1.00 0.00 C ATOM 980 C LEU A 67 -7.784 8.768 2.246 1.00 0.00 C ATOM 981 O LEU A 67 -8.346 8.066 3.082 1.00 0.00 O ATOM 982 CB LEU A 67 -6.280 8.389 0.279 1.00 0.00 C ATOM 983 CG LEU A 67 -5.668 7.047 -0.115 1.00 0.00 C ATOM 984 CD1 LEU A 67 -5.116 6.318 1.099 1.00 0.00 C ATOM 985 CD2 LEU A 67 -6.686 6.190 -0.843 1.00 0.00 C ATOM 0 H LEU A 67 -8.060 9.672 -0.800 1.00 0.00 H new ATOM 0 HA LEU A 67 -8.097 7.322 0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -6.239 9.052 -0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.658 8.837 1.054 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.836 7.241 -0.792 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.687 5.366 0.787 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.344 6.927 1.570 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -5.921 6.137 1.812 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -6.231 5.238 -1.116 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -7.542 6.010 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.017 6.705 -1.745 1.00 0.00 H new ATOM 997 N LEU A 68 -7.206 9.923 2.547 1.00 0.00 N ATOM 998 CA LEU A 68 -7.195 10.437 3.914 1.00 0.00 C ATOM 999 C LEU A 68 -8.580 10.370 4.556 1.00 0.00 C ATOM 1000 O LEU A 68 -8.696 10.319 5.780 1.00 0.00 O ATOM 1001 CB LEU A 68 -6.688 11.878 3.941 1.00 0.00 C ATOM 1002 CG LEU A 68 -5.244 12.052 4.419 1.00 0.00 C ATOM 1003 CD1 LEU A 68 -4.311 12.273 3.240 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -5.147 13.210 5.399 1.00 0.00 C ATOM 0 H LEU A 68 -6.739 10.522 1.866 1.00 0.00 H new ATOM 0 HA LEU A 68 -6.521 9.803 4.491 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.775 12.296 2.938 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.341 12.464 4.588 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.938 11.139 4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.290 12.394 3.602 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.359 11.413 2.572 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.613 13.170 2.700 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -4.114 13.321 5.730 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -5.472 14.128 4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -5.785 13.012 6.261 1.00 0.00 H new ATOM 1016 N ASP A 69 -9.629 10.378 3.735 1.00 0.00 N ATOM 1017 CA ASP A 69 -10.989 10.326 4.261 1.00 0.00 C ATOM 1018 C ASP A 69 -11.405 8.887 4.542 1.00 0.00 C ATOM 1019 O ASP A 69 -11.692 8.530 5.680 1.00 0.00 O ATOM 1020 CB ASP A 69 -11.969 10.970 3.278 1.00 0.00 C ATOM 1021 CG ASP A 69 -13.262 11.399 3.945 1.00 0.00 C ATOM 1022 OD1 ASP A 69 -13.198 12.197 4.905 1.00 0.00 O ATOM 1023 OD2 ASP A 69 -14.338 10.941 3.506 1.00 0.00 O ATOM 0 H ASP A 69 -9.564 10.419 2.718 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.010 10.884 5.197 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -11.498 11.837 2.815 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -12.193 10.264 2.478 1.00 0.00 H new ATOM 1028 N ALA A 70 -11.429 8.061 3.509 1.00 0.00 N ATOM 1029 CA ALA A 70 -11.807 6.664 3.676 1.00 0.00 C ATOM 1030 C ALA A 70 -10.787 5.920 4.534 1.00 0.00 C ATOM 1031 O ALA A 70 -11.093 4.886 5.123 1.00 0.00 O ATOM 1032 CB ALA A 70 -11.962 5.994 2.317 1.00 0.00 C ATOM 0 H ALA A 70 -11.194 8.328 2.553 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.766 6.627 4.193 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.245 4.950 2.456 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -12.735 6.506 1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -11.017 6.045 1.776 1.00 0.00 H new ATOM 1038 N LYS A 71 -9.568 6.449 4.593 1.00 0.00 N ATOM 1039 CA LYS A 71 -8.495 5.836 5.367 1.00 0.00 C ATOM 1040 C LYS A 71 -8.705 6.032 6.863 1.00 0.00 C ATOM 1041 O LYS A 71 -8.730 5.071 7.633 1.00 0.00 O ATOM 1042 CB LYS A 71 -7.157 6.456 4.976 1.00 0.00 C ATOM 1043 CG LYS A 71 -6.578 5.944 3.662 1.00 0.00 C ATOM 1044 CD LYS A 71 -6.685 4.434 3.538 1.00 0.00 C ATOM 1045 CE LYS A 71 -7.984 4.015 2.876 1.00 0.00 C ATOM 1046 NZ LYS A 71 -7.799 3.639 1.446 1.00 0.00 N ATOM 0 H LYS A 71 -9.299 7.306 4.110 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.499 4.768 5.149 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -7.279 7.537 4.907 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -6.438 6.267 5.773 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.101 6.413 2.829 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.531 6.240 3.588 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.843 4.056 2.958 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -6.619 3.982 4.528 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -8.409 3.170 3.419 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.703 4.832 2.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -8.324 4.303 0.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -6.788 3.677 1.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -8.156 2.674 1.292 1.00 0.00 H new ATOM 1060 N VAL A 72 -8.845 7.286 7.265 1.00 0.00 N ATOM 1061 CA VAL A 72 -9.039 7.620 8.665 1.00 0.00 C ATOM 1062 C VAL A 72 -10.356 7.066 9.184 1.00 0.00 C ATOM 1063 O VAL A 72 -10.407 6.479 10.261 1.00 0.00 O ATOM 1064 CB VAL A 72 -9.007 9.143 8.886 1.00 0.00 C ATOM 1065 CG1 VAL A 72 -7.639 9.707 8.537 1.00 0.00 C ATOM 1066 CG2 VAL A 72 -10.096 9.826 8.075 1.00 0.00 C ATOM 0 H VAL A 72 -8.828 8.090 6.638 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.217 7.164 9.218 1.00 0.00 H new ATOM 0 HB VAL A 72 -9.196 9.340 9.941 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.637 10.785 8.700 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.882 9.243 9.169 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.415 9.498 7.491 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -10.056 10.902 8.245 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -9.944 9.621 7.015 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -11.071 9.446 8.382 1.00 0.00 H new ATOM 1076 N GLN A 73 -11.419 7.260 8.416 1.00 0.00 N ATOM 1077 CA GLN A 73 -12.740 6.788 8.802 1.00 0.00 C ATOM 1078 C GLN A 73 -12.782 5.266 8.914 1.00 0.00 C ATOM 1079 O GLN A 73 -13.196 4.724 9.939 1.00 0.00 O ATOM 1080 CB GLN A 73 -13.776 7.276 7.793 1.00 0.00 C ATOM 1081 CG GLN A 73 -13.689 8.770 7.519 1.00 0.00 C ATOM 1082 CD GLN A 73 -13.978 9.610 8.746 1.00 0.00 C ATOM 1083 OE1 GLN A 73 -14.876 9.300 9.528 1.00 0.00 O ATOM 1084 NE2 GLN A 73 -13.216 10.682 8.919 1.00 0.00 N ATOM 0 H GLN A 73 -11.391 7.743 7.518 1.00 0.00 H new ATOM 0 HA GLN A 73 -12.973 7.195 9.786 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -13.645 6.733 6.857 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -14.774 7.039 8.163 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.693 9.009 7.147 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.395 9.032 6.731 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.483 10.901 8.245 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -13.363 11.288 9.726 1.00 0.00 H new ATOM 1093 N GLU A 74 -12.356 4.577 7.859 1.00 0.00 N ATOM 1094 CA GLU A 74 -12.354 3.116 7.850 1.00 0.00 C ATOM 1095 C GLU A 74 -11.526 2.564 9.004 1.00 0.00 C ATOM 1096 O GLU A 74 -11.826 1.499 9.543 1.00 0.00 O ATOM 1097 CB GLU A 74 -11.800 2.595 6.524 1.00 0.00 C ATOM 1098 CG GLU A 74 -11.603 1.086 6.490 1.00 0.00 C ATOM 1099 CD GLU A 74 -10.152 0.684 6.662 1.00 0.00 C ATOM 1100 OE1 GLU A 74 -9.332 1.021 5.781 1.00 0.00 O ATOM 1101 OE2 GLU A 74 -9.833 0.031 7.679 1.00 0.00 O ATOM 0 H GLU A 74 -12.008 5.005 7.001 1.00 0.00 H new ATOM 0 HA GLU A 74 -13.384 2.778 7.968 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -12.478 2.882 5.720 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -10.845 3.081 6.324 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -12.199 0.628 7.279 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.974 0.696 5.542 1.00 0.00 H new ATOM 1108 N ALA A 75 -10.482 3.290 9.368 1.00 0.00 N ATOM 1109 CA ALA A 75 -9.600 2.878 10.448 1.00 0.00 C ATOM 1110 C ALA A 75 -10.166 3.272 11.806 1.00 0.00 C ATOM 1111 O ALA A 75 -10.068 2.518 12.772 1.00 0.00 O ATOM 1112 CB ALA A 75 -8.231 3.492 10.252 1.00 0.00 C ATOM 0 H ALA A 75 -10.223 4.173 8.928 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.516 1.791 10.426 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.573 3.181 11.063 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.816 3.160 9.301 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -8.316 4.579 10.251 1.00 0.00 H new ATOM 1118 N LEU A 76 -10.755 4.459 11.871 1.00 0.00 N ATOM 1119 CA LEU A 76 -11.336 4.950 13.114 1.00 0.00 C ATOM 1120 C LEU A 76 -12.594 4.161 13.461 1.00 0.00 C ATOM 1121 O LEU A 76 -12.901 3.946 14.633 1.00 0.00 O ATOM 1122 CB LEU A 76 -11.660 6.442 13.001 1.00 0.00 C ATOM 1123 CG LEU A 76 -10.809 7.362 13.877 1.00 0.00 C ATOM 1124 CD1 LEU A 76 -11.261 8.805 13.724 1.00 0.00 C ATOM 1125 CD2 LEU A 76 -10.878 6.933 15.336 1.00 0.00 C ATOM 0 H LEU A 76 -10.843 5.098 11.081 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.607 4.813 13.913 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -11.541 6.745 11.961 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -12.709 6.590 13.258 1.00 0.00 H new ATOM 0 HG LEU A 76 -9.772 7.286 13.549 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.646 9.448 14.354 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -11.157 9.110 12.683 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -12.305 8.893 14.026 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -10.265 7.601 15.941 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.911 6.977 15.680 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -10.507 5.913 15.433 1.00 0.00 H new ATOM 1137 N GLU A 77 -13.313 3.726 12.432 1.00 0.00 N ATOM 1138 CA GLU A 77 -14.531 2.951 12.622 1.00 0.00 C ATOM 1139 C GLU A 77 -14.195 1.544 13.098 1.00 0.00 C ATOM 1140 O GLU A 77 -14.702 1.081 14.119 1.00 0.00 O ATOM 1141 CB GLU A 77 -15.326 2.885 11.314 1.00 0.00 C ATOM 1142 CG GLU A 77 -16.573 2.017 11.392 1.00 0.00 C ATOM 1143 CD GLU A 77 -16.817 1.232 10.117 1.00 0.00 C ATOM 1144 OE1 GLU A 77 -15.830 0.768 9.509 1.00 0.00 O ATOM 1145 OE2 GLU A 77 -17.994 1.082 9.728 1.00 0.00 O ATOM 0 H GLU A 77 -13.072 3.898 11.456 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.139 3.442 13.381 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.616 3.895 11.026 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -14.678 2.502 10.526 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -16.478 1.324 12.228 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -17.438 2.648 11.597 1.00 0.00 H new ATOM 1152 N VAL A 78 -13.335 0.871 12.344 1.00 0.00 N ATOM 1153 CA VAL A 78 -12.924 -0.483 12.680 1.00 0.00 C ATOM 1154 C VAL A 78 -12.001 -0.492 13.896 1.00 0.00 C ATOM 1155 O VAL A 78 -12.119 -1.350 14.767 1.00 0.00 O ATOM 1156 CB VAL A 78 -12.218 -1.163 11.490 1.00 0.00 C ATOM 1157 CG1 VAL A 78 -10.897 -0.477 11.172 1.00 0.00 C ATOM 1158 CG2 VAL A 78 -12.004 -2.640 11.767 1.00 0.00 C ATOM 0 H VAL A 78 -12.909 1.243 11.495 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.828 -1.044 12.919 1.00 0.00 H new ATOM 0 HB VAL A 78 -12.863 -1.068 10.617 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -10.421 -0.977 10.329 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.081 0.567 10.918 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -10.242 -0.528 12.042 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -11.504 -3.101 10.915 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -11.386 -2.757 12.657 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -12.968 -3.123 11.928 1.00 0.00 H new