USER MOD reduce.3.24.130724 H: found=0, std=0, add=446, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 447 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 22 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : A 29 LYS NZ :NH3+ 157:sc= -0.0643 (180deg=-0.958) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 ASN : amide:sc= -0.86 K(o=-0.86,f=-0.017) USER MOD Single : A 51 MET CE :methyl -163:sc= -0.0249 (180deg=-0.307) USER MOD Single : A 52 MET CE :methyl -115:sc= -0.482 (180deg=-2.37!) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 138:sc= -0.869 (180deg=-2.99!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.269 K(o=-0.27,f=-3!) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 329 N LEU A 21 8.137 -6.275 12.736 1.00 63.45 N ATOM 330 CA LEU A 21 8.572 -5.304 11.711 1.00 72.21 C ATOM 331 C LEU A 21 9.511 -5.972 10.678 1.00 13.50 C ATOM 332 O LEU A 21 10.728 -6.079 10.891 1.00 30.45 O ATOM 333 CB LEU A 21 9.267 -4.083 12.381 1.00 53.34 C ATOM 334 CG LEU A 21 8.330 -3.094 13.143 1.00 3.45 C ATOM 335 CD1 LEU A 21 9.131 -2.093 14.006 1.00 74.14 C ATOM 336 CD2 LEU A 21 7.393 -2.347 12.162 1.00 44.23 C ATOM 0 HA LEU A 21 7.689 -4.950 11.179 1.00 72.21 H new ATOM 0 HB2 LEU A 21 10.015 -4.455 13.081 1.00 53.34 H new ATOM 0 HB3 LEU A 21 9.800 -3.526 11.611 1.00 53.34 H new ATOM 0 HG LEU A 21 7.715 -3.689 13.818 1.00 3.45 H new ATOM 0 HD11 LEU A 21 8.442 -1.423 14.520 1.00 74.14 H new ATOM 0 HD12 LEU A 21 9.722 -2.638 14.741 1.00 74.14 H new ATOM 0 HD13 LEU A 21 9.794 -1.511 13.366 1.00 74.14 H new ATOM 0 HD21 LEU A 21 6.751 -1.665 12.720 1.00 44.23 H new ATOM 0 HD22 LEU A 21 7.991 -1.781 11.448 1.00 44.23 H new ATOM 0 HD23 LEU A 21 6.776 -3.069 11.627 1.00 44.23 H new ATOM 348 N THR A 22 8.913 -6.463 9.588 1.00 63.23 N ATOM 349 CA THR A 22 9.637 -7.007 8.420 1.00 41.33 C ATOM 350 C THR A 22 10.117 -5.875 7.489 1.00 15.45 C ATOM 351 O THR A 22 9.806 -4.712 7.725 1.00 2.50 O ATOM 352 CB THR A 22 8.717 -7.995 7.624 1.00 13.30 C ATOM 353 OG1 THR A 22 7.430 -7.391 7.408 1.00 1.31 O ATOM 354 CG2 THR A 22 8.529 -9.323 8.364 1.00 32.30 C ATOM 0 H THR A 22 7.899 -6.497 9.484 1.00 63.23 H new ATOM 0 HA THR A 22 10.511 -7.545 8.787 1.00 41.33 H new ATOM 0 HB THR A 22 9.205 -8.203 6.672 1.00 13.30 H new ATOM 0 HG1 THR A 22 6.858 -8.010 6.909 1.00 1.31 H new ATOM 0 HG21 THR A 22 7.885 -9.978 7.778 1.00 32.30 H new ATOM 0 HG22 THR A 22 9.498 -9.800 8.507 1.00 32.30 H new ATOM 0 HG23 THR A 22 8.070 -9.137 9.335 1.00 32.30 H new ATOM 362 N ARG A 23 10.868 -6.245 6.427 1.00 15.21 N ATOM 363 CA ARG A 23 11.397 -5.291 5.409 1.00 10.14 C ATOM 364 C ARG A 23 10.296 -4.346 4.860 1.00 3.14 C ATOM 365 O ARG A 23 10.444 -3.126 4.883 1.00 22.22 O ATOM 366 CB ARG A 23 12.029 -6.097 4.238 1.00 71.23 C ATOM 367 CG ARG A 23 13.365 -6.798 4.583 1.00 42.45 C ATOM 368 CD ARG A 23 14.535 -5.802 4.717 1.00 65.31 C ATOM 369 NE ARG A 23 14.743 -5.032 3.472 1.00 4.21 N ATOM 370 CZ ARG A 23 15.844 -4.403 3.129 1.00 14.14 C ATOM 371 NH1 ARG A 23 16.901 -4.410 3.881 1.00 30.21 N ATOM 372 NH2 ARG A 23 15.879 -3.765 2.009 1.00 65.03 N ATOM 0 H ARG A 23 11.128 -7.214 6.246 1.00 15.21 H new ATOM 0 HA ARG A 23 12.147 -4.666 5.893 1.00 10.14 H new ATOM 0 HB2 ARG A 23 11.314 -6.850 3.906 1.00 71.23 H new ATOM 0 HB3 ARG A 23 12.195 -5.422 3.398 1.00 71.23 H new ATOM 0 HG2 ARG A 23 13.252 -7.349 5.517 1.00 42.45 H new ATOM 0 HG3 ARG A 23 13.600 -7.528 3.808 1.00 42.45 H new ATOM 0 HD2 ARG A 23 14.336 -5.116 5.540 1.00 65.31 H new ATOM 0 HD3 ARG A 23 15.447 -6.344 4.967 1.00 65.31 H new ATOM 0 HE ARG A 23 13.960 -4.985 2.820 1.00 4.21 H new ATOM 0 HH11 ARG A 23 16.893 -4.914 4.768 1.00 30.21 H new ATOM 0 HH12 ARG A 23 17.740 -3.911 3.586 1.00 30.21 H new ATOM 0 HH21 ARG A 23 15.059 -3.753 1.403 1.00 65.03 H new ATOM 0 HH22 ARG A 23 16.727 -3.272 1.729 1.00 65.03 H new ATOM 386 N ASP A 24 9.191 -4.953 4.422 1.00 12.50 N ATOM 387 CA ASP A 24 7.990 -4.257 3.908 1.00 15.32 C ATOM 388 C ASP A 24 7.324 -3.343 4.977 1.00 72.11 C ATOM 389 O ASP A 24 6.964 -2.207 4.667 1.00 62.41 O ATOM 390 CB ASP A 24 6.989 -5.304 3.340 1.00 41.44 C ATOM 391 CG ASP A 24 6.747 -6.493 4.295 1.00 5.34 C ATOM 392 OD1 ASP A 24 7.645 -7.355 4.412 1.00 3.45 O ATOM 393 OD2 ASP A 24 5.684 -6.578 4.938 1.00 33.01 O ATOM 0 H ASP A 24 9.095 -5.968 4.411 1.00 12.50 H new ATOM 0 HA ASP A 24 8.302 -3.590 3.105 1.00 15.32 H new ATOM 0 HB2 ASP A 24 6.038 -4.813 3.133 1.00 41.44 H new ATOM 0 HB3 ASP A 24 7.367 -5.681 2.390 1.00 41.44 H new ATOM 398 N GLU A 25 7.179 -3.841 6.226 1.00 0.53 N ATOM 399 CA GLU A 25 6.641 -3.043 7.371 1.00 24.31 C ATOM 400 C GLU A 25 7.517 -1.788 7.679 1.00 23.43 C ATOM 401 O GLU A 25 7.000 -0.727 8.058 1.00 1.25 O ATOM 402 CB GLU A 25 6.522 -3.945 8.635 1.00 64.31 C ATOM 403 CG GLU A 25 5.376 -4.983 8.604 1.00 21.42 C ATOM 404 CD GLU A 25 3.975 -4.371 8.846 1.00 21.42 C ATOM 405 OE1 GLU A 25 3.685 -3.995 10.009 1.00 54.13 O ATOM 406 OE2 GLU A 25 3.161 -4.269 7.897 1.00 71.33 O ATOM 0 H GLU A 25 7.427 -4.798 6.476 1.00 0.53 H new ATOM 0 HA GLU A 25 5.653 -2.682 7.086 1.00 24.31 H new ATOM 0 HB2 GLU A 25 7.465 -4.474 8.773 1.00 64.31 H new ATOM 0 HB3 GLU A 25 6.386 -3.304 9.506 1.00 64.31 H new ATOM 0 HG2 GLU A 25 5.380 -5.487 7.638 1.00 21.42 H new ATOM 0 HG3 GLU A 25 5.566 -5.744 9.361 1.00 21.42 H new ATOM 413 N LEU A 26 8.841 -1.926 7.493 1.00 2.23 N ATOM 414 CA LEU A 26 9.812 -0.815 7.660 1.00 41.13 C ATOM 415 C LEU A 26 9.711 0.212 6.501 1.00 65.14 C ATOM 416 O LEU A 26 9.934 1.408 6.704 1.00 12.11 O ATOM 417 CB LEU A 26 11.252 -1.385 7.755 1.00 2.52 C ATOM 418 CG LEU A 26 11.527 -2.323 8.979 1.00 62.34 C ATOM 419 CD1 LEU A 26 12.908 -3.009 8.878 1.00 71.42 C ATOM 420 CD2 LEU A 26 11.374 -1.559 10.319 1.00 73.12 C ATOM 0 H LEU A 26 9.275 -2.809 7.222 1.00 2.23 H new ATOM 0 HA LEU A 26 9.570 -0.290 8.584 1.00 41.13 H new ATOM 0 HB2 LEU A 26 11.466 -1.938 6.840 1.00 2.52 H new ATOM 0 HB3 LEU A 26 11.952 -0.551 7.794 1.00 2.52 H new ATOM 0 HG LEU A 26 10.774 -3.111 8.957 1.00 62.34 H new ATOM 0 HD11 LEU A 26 13.060 -3.651 9.746 1.00 71.42 H new ATOM 0 HD12 LEU A 26 12.950 -3.611 7.970 1.00 71.42 H new ATOM 0 HD13 LEU A 26 13.690 -2.250 8.847 1.00 71.42 H new ATOM 0 HD21 LEU A 26 11.571 -2.237 11.149 1.00 73.12 H new ATOM 0 HD22 LEU A 26 12.084 -0.732 10.350 1.00 73.12 H new ATOM 0 HD23 LEU A 26 10.359 -1.169 10.402 1.00 73.12 H new ATOM 432 N ARG A 27 9.383 -0.281 5.287 1.00 5.32 N ATOM 433 CA ARG A 27 9.145 0.574 4.092 1.00 54.03 C ATOM 434 C ARG A 27 7.815 1.358 4.231 1.00 53.43 C ATOM 435 O ARG A 27 7.714 2.515 3.797 1.00 55.01 O ATOM 436 CB ARG A 27 9.129 -0.301 2.804 1.00 72.52 C ATOM 437 CG ARG A 27 10.467 -1.033 2.520 1.00 22.33 C ATOM 438 CD ARG A 27 10.358 -2.108 1.417 1.00 1.25 C ATOM 439 NE ARG A 27 10.094 -1.536 0.088 1.00 24.14 N ATOM 440 CZ ARG A 27 9.600 -2.193 -0.942 1.00 25.21 C ATOM 441 NH1 ARG A 27 9.215 -3.429 -0.842 1.00 73.01 N ATOM 442 NH2 ARG A 27 9.473 -1.587 -2.078 1.00 15.42 N ATOM 0 H ARG A 27 9.275 -1.278 5.103 1.00 5.32 H new ATOM 0 HA ARG A 27 9.957 1.297 4.017 1.00 54.03 H new ATOM 0 HB2 ARG A 27 8.333 -1.041 2.890 1.00 72.52 H new ATOM 0 HB3 ARG A 27 8.885 0.332 1.951 1.00 72.52 H new ATOM 0 HG2 ARG A 27 11.219 -0.299 2.229 1.00 22.33 H new ATOM 0 HG3 ARG A 27 10.818 -1.501 3.439 1.00 22.33 H new ATOM 0 HD2 ARG A 27 11.284 -2.682 1.383 1.00 1.25 H new ATOM 0 HD3 ARG A 27 9.560 -2.805 1.673 1.00 1.25 H new ATOM 0 HE ARG A 27 10.311 -0.549 -0.048 1.00 24.14 H new ATOM 0 HH11 ARG A 27 9.291 -3.916 0.051 1.00 73.01 H new ATOM 0 HH12 ARG A 27 8.836 -3.913 -1.656 1.00 73.01 H new ATOM 0 HH21 ARG A 27 9.754 -0.611 -2.169 1.00 15.42 H new ATOM 0 HH22 ARG A 27 9.092 -2.086 -2.882 1.00 15.42 H new ATOM 456 N ALA A 28 6.809 0.707 4.855 1.00 11.51 N ATOM 457 CA ALA A 28 5.505 1.327 5.183 1.00 73.34 C ATOM 458 C ALA A 28 5.681 2.486 6.189 1.00 63.52 C ATOM 459 O ALA A 28 5.044 3.530 6.071 1.00 70.01 O ATOM 460 CB ALA A 28 4.534 0.265 5.733 1.00 62.10 C ATOM 0 H ALA A 28 6.878 -0.268 5.147 1.00 11.51 H new ATOM 0 HA ALA A 28 5.082 1.743 4.269 1.00 73.34 H new ATOM 0 HB1 ALA A 28 3.579 0.733 5.970 1.00 62.10 H new ATOM 0 HB2 ALA A 28 4.381 -0.511 4.983 1.00 62.10 H new ATOM 0 HB3 ALA A 28 4.954 -0.180 6.635 1.00 62.10 H new ATOM 466 N LYS A 29 6.576 2.275 7.165 1.00 2.35 N ATOM 467 CA LYS A 29 6.954 3.298 8.163 1.00 13.33 C ATOM 468 C LYS A 29 7.757 4.461 7.511 1.00 11.44 C ATOM 469 O LYS A 29 7.537 5.640 7.823 1.00 52.22 O ATOM 470 CB LYS A 29 7.793 2.626 9.282 1.00 71.24 C ATOM 471 CG LYS A 29 8.184 3.557 10.449 1.00 32.22 C ATOM 472 CD LYS A 29 9.120 2.876 11.477 1.00 14.41 C ATOM 473 CE LYS A 29 8.503 1.631 12.144 1.00 70.43 C ATOM 474 NZ LYS A 29 9.355 1.131 13.260 1.00 40.30 N ATOM 0 H LYS A 29 7.063 1.387 7.289 1.00 2.35 H new ATOM 0 HA LYS A 29 6.045 3.727 8.586 1.00 13.33 H new ATOM 0 HB2 LYS A 29 7.229 1.783 9.682 1.00 71.24 H new ATOM 0 HB3 LYS A 29 8.703 2.220 8.840 1.00 71.24 H new ATOM 0 HG2 LYS A 29 8.676 4.444 10.050 1.00 32.22 H new ATOM 0 HG3 LYS A 29 7.280 3.894 10.956 1.00 32.22 H new ATOM 0 HD2 LYS A 29 10.046 2.589 10.978 1.00 14.41 H new ATOM 0 HD3 LYS A 29 9.384 3.598 12.249 1.00 14.41 H new ATOM 0 HE2 LYS A 29 7.510 1.874 12.523 1.00 70.43 H new ATOM 0 HE3 LYS A 29 8.376 0.844 11.401 1.00 70.43 H new ATOM 0 HZ1 LYS A 29 8.773 0.576 13.919 1.00 40.30 H new ATOM 0 HZ2 LYS A 29 10.112 0.530 12.876 1.00 40.30 H new ATOM 0 HZ3 LYS A 29 9.775 1.938 13.764 1.00 40.30 H new ATOM 488 N ALA A 30 8.664 4.101 6.582 1.00 72.42 N ATOM 489 CA ALA A 30 9.576 5.058 5.904 1.00 4.14 C ATOM 490 C ALA A 30 8.817 6.098 5.042 1.00 74.02 C ATOM 491 O ALA A 30 9.134 7.292 5.070 1.00 52.54 O ATOM 492 CB ALA A 30 10.583 4.285 5.035 1.00 51.41 C ATOM 0 H ALA A 30 8.789 3.136 6.276 1.00 72.42 H new ATOM 0 HA ALA A 30 10.101 5.614 6.681 1.00 4.14 H new ATOM 0 HB1 ALA A 30 11.251 4.989 4.539 1.00 51.41 H new ATOM 0 HB2 ALA A 30 11.167 3.613 5.665 1.00 51.41 H new ATOM 0 HB3 ALA A 30 10.046 3.704 4.285 1.00 51.41 H new ATOM 498 N LEU A 31 7.817 5.624 4.272 1.00 32.42 N ATOM 499 CA LEU A 31 6.971 6.489 3.405 1.00 40.22 C ATOM 500 C LEU A 31 5.686 6.960 4.124 1.00 1.14 C ATOM 501 O LEU A 31 4.933 7.774 3.573 1.00 12.25 O ATOM 502 CB LEU A 31 6.635 5.733 2.092 1.00 65.13 C ATOM 503 CG LEU A 31 7.870 5.409 1.189 1.00 74.24 C ATOM 504 CD1 LEU A 31 7.468 4.566 -0.032 1.00 62.03 C ATOM 505 CD2 LEU A 31 8.597 6.707 0.751 1.00 45.22 C ATOM 0 H LEU A 31 7.569 4.636 4.229 1.00 32.42 H new ATOM 0 HA LEU A 31 7.537 7.390 3.167 1.00 40.22 H new ATOM 0 HB2 LEU A 31 6.132 4.799 2.345 1.00 65.13 H new ATOM 0 HB3 LEU A 31 5.928 6.330 1.516 1.00 65.13 H new ATOM 0 HG LEU A 31 8.565 4.817 1.785 1.00 74.24 H new ATOM 0 HD11 LEU A 31 8.350 4.359 -0.638 1.00 62.03 H new ATOM 0 HD12 LEU A 31 7.030 3.626 0.303 1.00 62.03 H new ATOM 0 HD13 LEU A 31 6.739 5.114 -0.628 1.00 62.03 H new ATOM 0 HD21 LEU A 31 9.451 6.452 0.124 1.00 45.22 H new ATOM 0 HD22 LEU A 31 7.909 7.337 0.187 1.00 45.22 H new ATOM 0 HD23 LEU A 31 8.942 7.246 1.633 1.00 45.22 H new ATOM 517 N HIS A 32 5.467 6.447 5.358 1.00 42.31 N ATOM 518 CA HIS A 32 4.336 6.834 6.233 1.00 24.42 C ATOM 519 C HIS A 32 2.958 6.496 5.591 1.00 60.34 C ATOM 520 O HIS A 32 2.126 7.378 5.346 1.00 23.04 O ATOM 521 CB HIS A 32 4.457 8.327 6.672 1.00 3.33 C ATOM 522 CG HIS A 32 5.752 8.650 7.389 1.00 3.03 C ATOM 523 ND1 HIS A 32 6.923 8.946 6.723 1.00 45.43 N ATOM 524 CD2 HIS A 32 6.062 8.707 8.710 1.00 75.13 C ATOM 525 CE1 HIS A 32 7.886 9.163 7.594 1.00 33.34 C ATOM 526 NE2 HIS A 32 7.392 9.027 8.802 1.00 12.33 N ATOM 0 H HIS A 32 6.077 5.746 5.778 1.00 42.31 H new ATOM 0 HA HIS A 32 4.391 6.233 7.140 1.00 24.42 H new ATOM 0 HB2 HIS A 32 4.372 8.963 5.791 1.00 3.33 H new ATOM 0 HB3 HIS A 32 3.620 8.573 7.325 1.00 3.33 H new ATOM 0 HD2 HIS A 32 5.387 8.533 9.535 1.00 75.13 H new ATOM 0 HE1 HIS A 32 8.910 9.411 7.355 1.00 33.34 H new ATOM 0 HE2 HIS A 32 7.914 9.141 9.671 1.00 12.33 H new ATOM 535 N ILE A 33 2.764 5.197 5.291 1.00 64.02 N ATOM 536 CA ILE A 33 1.478 4.650 4.799 1.00 25.40 C ATOM 537 C ILE A 33 0.424 4.661 5.951 1.00 3.43 C ATOM 538 O ILE A 33 0.738 4.217 7.059 1.00 24.43 O ATOM 539 CB ILE A 33 1.653 3.165 4.267 1.00 75.42 C ATOM 540 CG1 ILE A 33 2.802 3.065 3.212 1.00 64.30 C ATOM 541 CG2 ILE A 33 0.327 2.600 3.680 1.00 2.22 C ATOM 542 CD1 ILE A 33 2.544 3.793 1.906 1.00 24.14 C ATOM 0 H ILE A 33 3.496 4.492 5.382 1.00 64.02 H new ATOM 0 HA ILE A 33 1.138 5.277 3.975 1.00 25.40 H new ATOM 0 HB ILE A 33 1.926 2.554 5.128 1.00 75.42 H new ATOM 0 HG12 ILE A 33 3.716 3.460 3.655 1.00 64.30 H new ATOM 0 HG13 ILE A 33 2.983 2.013 2.993 1.00 64.30 H new ATOM 0 HG21 ILE A 33 0.490 1.582 3.327 1.00 2.22 H new ATOM 0 HG22 ILE A 33 -0.441 2.597 4.453 1.00 2.22 H new ATOM 0 HG23 ILE A 33 0.002 3.225 2.848 1.00 2.22 H new ATOM 0 HD11 ILE A 33 3.399 3.663 1.242 1.00 24.14 H new ATOM 0 HD12 ILE A 33 1.651 3.385 1.432 1.00 24.14 H new ATOM 0 HD13 ILE A 33 2.396 4.855 2.104 1.00 24.14 H new ATOM 554 N PRO A 34 -0.826 5.191 5.718 1.00 33.10 N ATOM 555 CA PRO A 34 -1.943 5.126 6.718 1.00 64.34 C ATOM 556 C PRO A 34 -2.299 3.682 7.197 1.00 32.10 C ATOM 557 O PRO A 34 -2.853 3.496 8.286 1.00 42.01 O ATOM 558 CB PRO A 34 -3.136 5.762 5.946 1.00 62.54 C ATOM 559 CG PRO A 34 -2.487 6.674 4.949 1.00 53.44 C ATOM 560 CD PRO A 34 -1.237 5.950 4.503 1.00 72.22 C ATOM 0 HA PRO A 34 -1.673 5.636 7.643 1.00 64.34 H new ATOM 0 HB2 PRO A 34 -3.742 5.001 5.454 1.00 62.54 H new ATOM 0 HB3 PRO A 34 -3.797 6.311 6.617 1.00 62.54 H new ATOM 0 HG2 PRO A 34 -3.150 6.871 4.106 1.00 53.44 H new ATOM 0 HG3 PRO A 34 -2.245 7.638 5.397 1.00 53.44 H new ATOM 0 HD2 PRO A 34 -1.436 5.285 3.662 1.00 72.22 H new ATOM 0 HD3 PRO A 34 -0.462 6.646 4.183 1.00 72.22 H new ATOM 568 N PHE A 35 -1.971 2.677 6.367 1.00 62.20 N ATOM 569 CA PHE A 35 -2.307 1.252 6.616 1.00 11.11 C ATOM 570 C PHE A 35 -1.035 0.378 6.861 1.00 4.22 C ATOM 571 O PHE A 35 0.080 0.788 6.522 1.00 43.15 O ATOM 572 CB PHE A 35 -3.068 0.690 5.387 1.00 5.21 C ATOM 573 CG PHE A 35 -4.316 1.479 4.986 1.00 25.13 C ATOM 574 CD1 PHE A 35 -5.369 1.669 5.886 1.00 62.10 C ATOM 575 CD2 PHE A 35 -4.438 2.028 3.709 1.00 33.14 C ATOM 576 CE1 PHE A 35 -6.493 2.388 5.522 1.00 42.25 C ATOM 577 CE2 PHE A 35 -5.560 2.742 3.349 1.00 74.22 C ATOM 578 CZ PHE A 35 -6.591 2.922 4.251 1.00 61.21 C ATOM 0 H PHE A 35 -1.461 2.825 5.496 1.00 62.20 H new ATOM 0 HA PHE A 35 -2.922 1.210 7.515 1.00 11.11 H new ATOM 0 HB2 PHE A 35 -2.386 0.661 4.537 1.00 5.21 H new ATOM 0 HB3 PHE A 35 -3.359 -0.339 5.597 1.00 5.21 H new ATOM 0 HD1 PHE A 35 -5.304 1.249 6.879 1.00 62.10 H new ATOM 0 HD2 PHE A 35 -3.642 1.891 2.993 1.00 33.14 H new ATOM 0 HE1 PHE A 35 -7.295 2.532 6.231 1.00 42.25 H new ATOM 0 HE2 PHE A 35 -5.634 3.163 2.357 1.00 74.22 H new ATOM 0 HZ PHE A 35 -7.471 3.478 3.964 1.00 61.21 H new ATOM 588 N PRO A 36 -1.188 -0.846 7.479 1.00 43.10 N ATOM 589 CA PRO A 36 -0.141 -1.914 7.434 1.00 71.21 C ATOM 590 C PRO A 36 -0.002 -2.535 6.011 1.00 40.24 C ATOM 591 O PRO A 36 -0.891 -2.368 5.170 1.00 32.25 O ATOM 592 CB PRO A 36 -0.645 -2.978 8.464 1.00 72.52 C ATOM 593 CG PRO A 36 -1.731 -2.288 9.248 1.00 54.13 C ATOM 594 CD PRO A 36 -2.343 -1.269 8.314 1.00 43.33 C ATOM 0 HA PRO A 36 0.850 -1.527 7.672 1.00 71.21 H new ATOM 0 HB2 PRO A 36 -1.027 -3.865 7.958 1.00 72.52 H new ATOM 0 HB3 PRO A 36 0.163 -3.307 9.117 1.00 72.52 H new ATOM 0 HG2 PRO A 36 -2.480 -3.003 9.588 1.00 54.13 H new ATOM 0 HG3 PRO A 36 -1.323 -1.806 10.137 1.00 54.13 H new ATOM 0 HD2 PRO A 36 -3.140 -1.702 7.710 1.00 43.33 H new ATOM 0 HD3 PRO A 36 -2.776 -0.430 8.859 1.00 43.33 H new ATOM 602 N VAL A 37 1.093 -3.277 5.762 1.00 44.12 N ATOM 603 CA VAL A 37 1.347 -3.926 4.443 1.00 2.42 C ATOM 604 C VAL A 37 0.316 -5.043 4.144 1.00 33.42 C ATOM 605 O VAL A 37 -0.193 -5.135 3.018 1.00 62.30 O ATOM 606 CB VAL A 37 2.806 -4.499 4.370 1.00 71.01 C ATOM 607 CG1 VAL A 37 3.096 -5.232 3.034 1.00 53.33 C ATOM 608 CG2 VAL A 37 3.829 -3.375 4.618 1.00 23.12 C ATOM 0 H VAL A 37 1.823 -3.448 6.453 1.00 44.12 H new ATOM 0 HA VAL A 37 1.236 -3.155 3.680 1.00 2.42 H new ATOM 0 HB VAL A 37 2.900 -5.248 5.156 1.00 71.01 H new ATOM 0 HG11 VAL A 37 4.119 -5.607 3.040 1.00 53.33 H new ATOM 0 HG12 VAL A 37 2.404 -6.066 2.919 1.00 53.33 H new ATOM 0 HG13 VAL A 37 2.969 -4.538 2.203 1.00 53.33 H new ATOM 0 HG21 VAL A 37 4.838 -3.783 4.565 1.00 23.12 H new ATOM 0 HG22 VAL A 37 3.710 -2.601 3.859 1.00 23.12 H new ATOM 0 HG23 VAL A 37 3.663 -2.944 5.605 1.00 23.12 H new ATOM 618 N GLU A 38 0.001 -5.860 5.176 1.00 1.40 N ATOM 619 CA GLU A 38 -1.034 -6.933 5.105 1.00 75.32 C ATOM 620 C GLU A 38 -2.385 -6.405 4.545 1.00 21.30 C ATOM 621 O GLU A 38 -3.088 -7.110 3.810 1.00 31.25 O ATOM 622 CB GLU A 38 -1.265 -7.534 6.520 1.00 62.23 C ATOM 623 CG GLU A 38 -2.281 -8.706 6.575 1.00 4.22 C ATOM 624 CD GLU A 38 -2.695 -9.104 8.007 1.00 65.33 C ATOM 625 OE1 GLU A 38 -1.976 -9.896 8.649 1.00 21.52 O ATOM 626 OE2 GLU A 38 -3.745 -8.618 8.491 1.00 23.24 O ATOM 0 H GLU A 38 0.456 -5.798 6.087 1.00 1.40 H new ATOM 0 HA GLU A 38 -0.664 -7.699 4.423 1.00 75.32 H new ATOM 0 HB2 GLU A 38 -0.309 -7.883 6.911 1.00 62.23 H new ATOM 0 HB3 GLU A 38 -1.611 -6.741 7.183 1.00 62.23 H new ATOM 0 HG2 GLU A 38 -3.173 -8.428 6.013 1.00 4.22 H new ATOM 0 HG3 GLU A 38 -1.848 -9.574 6.077 1.00 4.22 H new ATOM 633 N LYS A 39 -2.708 -5.150 4.899 1.00 11.11 N ATOM 634 CA LYS A 39 -3.933 -4.459 4.452 1.00 51.34 C ATOM 635 C LYS A 39 -3.957 -4.289 2.906 1.00 42.41 C ATOM 636 O LYS A 39 -4.918 -4.698 2.258 1.00 31.30 O ATOM 637 CB LYS A 39 -4.020 -3.086 5.173 1.00 53.24 C ATOM 638 CG LYS A 39 -5.313 -2.270 4.947 1.00 34.25 C ATOM 639 CD LYS A 39 -6.581 -2.964 5.497 1.00 62.31 C ATOM 640 CE LYS A 39 -7.845 -2.088 5.354 1.00 74.04 C ATOM 641 NZ LYS A 39 -9.065 -2.782 5.851 1.00 54.34 N ATOM 0 H LYS A 39 -2.122 -4.580 5.509 1.00 11.11 H new ATOM 0 HA LYS A 39 -4.803 -5.061 4.712 1.00 51.34 H new ATOM 0 HB2 LYS A 39 -3.906 -3.255 6.244 1.00 53.24 H new ATOM 0 HB3 LYS A 39 -3.173 -2.479 4.854 1.00 53.24 H new ATOM 0 HG2 LYS A 39 -5.206 -1.295 5.422 1.00 34.25 H new ATOM 0 HG3 LYS A 39 -5.439 -2.092 3.879 1.00 34.25 H new ATOM 0 HD2 LYS A 39 -6.734 -3.905 4.969 1.00 62.31 H new ATOM 0 HD3 LYS A 39 -6.430 -3.209 6.548 1.00 62.31 H new ATOM 0 HE2 LYS A 39 -7.706 -1.159 5.907 1.00 74.04 H new ATOM 0 HE3 LYS A 39 -7.983 -1.819 4.307 1.00 74.04 H new ATOM 0 HZ1 LYS A 39 -9.890 -2.159 5.736 1.00 54.34 H new ATOM 0 HZ2 LYS A 39 -9.213 -3.656 5.307 1.00 54.34 H new ATOM 0 HZ3 LYS A 39 -8.945 -3.017 6.857 1.00 54.34 H new ATOM 655 N ILE A 40 -2.866 -3.726 2.328 1.00 5.53 N ATOM 656 CA ILE A 40 -2.734 -3.528 0.849 1.00 62.34 C ATOM 657 C ILE A 40 -2.744 -4.901 0.096 1.00 20.10 C ATOM 658 O ILE A 40 -3.318 -5.011 -0.994 1.00 12.02 O ATOM 659 CB ILE A 40 -1.432 -2.682 0.455 1.00 22.20 C ATOM 660 CG1 ILE A 40 -1.533 -1.176 0.895 1.00 61.12 C ATOM 661 CG2 ILE A 40 -1.129 -2.739 -1.070 1.00 54.53 C ATOM 662 CD1 ILE A 40 -1.437 -0.910 2.383 1.00 73.44 C ATOM 0 H ILE A 40 -2.059 -3.398 2.859 1.00 5.53 H new ATOM 0 HA ILE A 40 -3.601 -2.947 0.534 1.00 62.34 H new ATOM 0 HB ILE A 40 -0.614 -3.153 1.000 1.00 22.20 H new ATOM 0 HG12 ILE A 40 -0.741 -0.618 0.395 1.00 61.12 H new ATOM 0 HG13 ILE A 40 -2.481 -0.776 0.535 1.00 61.12 H new ATOM 0 HG21 ILE A 40 -0.238 -2.150 -1.286 1.00 54.53 H new ATOM 0 HG22 ILE A 40 -0.962 -3.774 -1.369 1.00 54.53 H new ATOM 0 HG23 ILE A 40 -1.975 -2.333 -1.624 1.00 54.53 H new ATOM 0 HD11 ILE A 40 -1.519 0.161 2.567 1.00 73.44 H new ATOM 0 HD12 ILE A 40 -2.245 -1.430 2.898 1.00 73.44 H new ATOM 0 HD13 ILE A 40 -0.478 -1.270 2.756 1.00 73.44 H new ATOM 674 N ILE A 41 -2.123 -5.936 0.708 1.00 40.20 N ATOM 675 CA ILE A 41 -2.099 -7.322 0.153 1.00 41.14 C ATOM 676 C ILE A 41 -3.533 -7.920 0.052 1.00 53.02 C ATOM 677 O ILE A 41 -3.905 -8.514 -0.969 1.00 41.40 O ATOM 678 CB ILE A 41 -1.196 -8.278 1.039 1.00 63.44 C ATOM 679 CG1 ILE A 41 0.267 -7.741 1.129 1.00 40.03 C ATOM 680 CG2 ILE A 41 -1.207 -9.743 0.513 1.00 1.12 C ATOM 681 CD1 ILE A 41 1.166 -8.469 2.121 1.00 30.23 C ATOM 0 H ILE A 41 -1.626 -5.842 1.594 1.00 40.20 H new ATOM 0 HA ILE A 41 -1.674 -7.254 -0.848 1.00 41.14 H new ATOM 0 HB ILE A 41 -1.626 -8.285 2.040 1.00 63.44 H new ATOM 0 HG12 ILE A 41 0.721 -7.802 0.140 1.00 40.03 H new ATOM 0 HG13 ILE A 41 0.234 -6.686 1.400 1.00 40.03 H new ATOM 0 HG21 ILE A 41 -0.576 -10.363 1.149 1.00 1.12 H new ATOM 0 HG22 ILE A 41 -2.227 -10.128 0.529 1.00 1.12 H new ATOM 0 HG23 ILE A 41 -0.826 -9.766 -0.508 1.00 1.12 H new ATOM 0 HD11 ILE A 41 2.160 -8.021 2.108 1.00 30.23 H new ATOM 0 HD12 ILE A 41 0.744 -8.387 3.123 1.00 30.23 H new ATOM 0 HD13 ILE A 41 1.239 -9.520 1.843 1.00 30.23 H new ATOM 693 N ASN A 42 -4.334 -7.732 1.122 1.00 11.04 N ATOM 694 CA ASN A 42 -5.679 -8.352 1.249 1.00 53.40 C ATOM 695 C ASN A 42 -6.733 -7.635 0.372 1.00 20.31 C ATOM 696 O ASN A 42 -7.578 -8.294 -0.249 1.00 11.43 O ATOM 697 CB ASN A 42 -6.117 -8.341 2.735 1.00 11.14 C ATOM 698 CG ASN A 42 -7.454 -9.056 2.989 1.00 12.05 C ATOM 699 OD1 ASN A 42 -8.521 -8.445 2.965 1.00 33.43 O ATOM 700 ND2 ASN A 42 -7.410 -10.353 3.236 1.00 2.32 N ATOM 0 H ASN A 42 -4.073 -7.151 1.919 1.00 11.04 H new ATOM 0 HA ASN A 42 -5.611 -9.380 0.893 1.00 53.40 H new ATOM 0 HB2 ASN A 42 -5.341 -8.815 3.337 1.00 11.14 H new ATOM 0 HB3 ASN A 42 -6.197 -7.308 3.074 1.00 11.14 H new ATOM 0 HD21 ASN A 42 -8.273 -10.868 3.412 1.00 2.32 H new ATOM 0 HD22 ASN A 42 -6.513 -10.839 3.251 1.00 2.32 H new ATOM 707 N LEU A 43 -6.676 -6.294 0.348 1.00 11.31 N ATOM 708 CA LEU A 43 -7.608 -5.451 -0.437 1.00 3.54 C ATOM 709 C LEU A 43 -7.442 -5.677 -1.964 1.00 63.45 C ATOM 710 O LEU A 43 -6.403 -5.311 -2.521 1.00 44.50 O ATOM 711 CB LEU A 43 -7.373 -3.955 -0.102 1.00 44.24 C ATOM 712 CG LEU A 43 -7.716 -3.515 1.353 1.00 33.12 C ATOM 713 CD1 LEU A 43 -7.221 -2.080 1.622 1.00 42.10 C ATOM 714 CD2 LEU A 43 -9.231 -3.649 1.635 1.00 21.52 C ATOM 0 H LEU A 43 -5.984 -5.758 0.871 1.00 11.31 H new ATOM 0 HA LEU A 43 -8.624 -5.737 -0.165 1.00 3.54 H new ATOM 0 HB2 LEU A 43 -6.326 -3.721 -0.293 1.00 44.24 H new ATOM 0 HB3 LEU A 43 -7.965 -3.352 -0.791 1.00 44.24 H new ATOM 0 HG LEU A 43 -7.195 -4.183 2.039 1.00 33.12 H new ATOM 0 HD11 LEU A 43 -7.471 -1.794 2.644 1.00 42.10 H new ATOM 0 HD12 LEU A 43 -6.140 -2.037 1.488 1.00 42.10 H new ATOM 0 HD13 LEU A 43 -7.701 -1.393 0.925 1.00 42.10 H new ATOM 0 HD21 LEU A 43 -9.440 -3.335 2.658 1.00 21.52 H new ATOM 0 HD22 LEU A 43 -9.787 -3.019 0.941 1.00 21.52 H new ATOM 0 HD23 LEU A 43 -9.535 -4.688 1.505 1.00 21.52 H new ATOM 726 N PRO A 44 -8.463 -6.269 -2.670 1.00 54.05 N ATOM 727 CA PRO A 44 -8.391 -6.491 -4.136 1.00 4.44 C ATOM 728 C PRO A 44 -8.401 -5.150 -4.909 1.00 63.55 C ATOM 729 O PRO A 44 -8.988 -4.177 -4.431 1.00 1.15 O ATOM 730 CB PRO A 44 -9.648 -7.351 -4.430 1.00 44.13 C ATOM 731 CG PRO A 44 -10.607 -6.998 -3.339 1.00 4.02 C ATOM 732 CD PRO A 44 -9.761 -6.741 -2.111 1.00 51.12 C ATOM 0 HA PRO A 44 -7.471 -6.982 -4.454 1.00 4.44 H new ATOM 0 HB2 PRO A 44 -10.063 -7.124 -5.412 1.00 44.13 H new ATOM 0 HB3 PRO A 44 -9.412 -8.415 -4.422 1.00 44.13 H new ATOM 0 HG2 PRO A 44 -11.191 -6.116 -3.602 1.00 4.02 H new ATOM 0 HG3 PRO A 44 -11.315 -7.808 -3.163 1.00 4.02 H new ATOM 0 HD2 PRO A 44 -10.214 -5.991 -1.462 1.00 51.12 H new ATOM 0 HD3 PRO A 44 -9.635 -7.645 -1.515 1.00 51.12 H new ATOM 740 N VAL A 45 -7.775 -5.128 -6.102 1.00 12.03 N ATOM 741 CA VAL A 45 -7.507 -3.882 -6.872 1.00 42.44 C ATOM 742 C VAL A 45 -8.785 -3.018 -7.084 1.00 22.33 C ATOM 743 O VAL A 45 -8.729 -1.797 -6.958 1.00 30.05 O ATOM 744 CB VAL A 45 -6.830 -4.208 -8.263 1.00 23.42 C ATOM 745 CG1 VAL A 45 -6.534 -2.934 -9.100 1.00 62.32 C ATOM 746 CG2 VAL A 45 -5.540 -5.038 -8.057 1.00 71.10 C ATOM 0 H VAL A 45 -7.438 -5.972 -6.566 1.00 12.03 H new ATOM 0 HA VAL A 45 -6.816 -3.293 -6.270 1.00 42.44 H new ATOM 0 HB VAL A 45 -7.547 -4.798 -8.833 1.00 23.42 H new ATOM 0 HG11 VAL A 45 -6.070 -3.219 -10.044 1.00 62.32 H new ATOM 0 HG12 VAL A 45 -7.466 -2.405 -9.299 1.00 62.32 H new ATOM 0 HG13 VAL A 45 -5.858 -2.283 -8.545 1.00 62.32 H new ATOM 0 HG21 VAL A 45 -5.087 -5.253 -9.025 1.00 71.10 H new ATOM 0 HG22 VAL A 45 -4.837 -4.472 -7.445 1.00 71.10 H new ATOM 0 HG23 VAL A 45 -5.786 -5.974 -7.555 1.00 71.10 H new ATOM 756 N VAL A 46 -9.933 -3.674 -7.344 1.00 65.24 N ATOM 757 CA VAL A 46 -11.239 -2.984 -7.535 1.00 33.34 C ATOM 758 C VAL A 46 -11.659 -2.152 -6.279 1.00 44.42 C ATOM 759 O VAL A 46 -11.931 -0.947 -6.377 1.00 61.35 O ATOM 760 CB VAL A 46 -12.375 -4.019 -7.895 1.00 70.04 C ATOM 761 CG1 VAL A 46 -13.745 -3.325 -8.091 1.00 53.43 C ATOM 762 CG2 VAL A 46 -11.995 -4.850 -9.145 1.00 60.34 C ATOM 0 H VAL A 46 -9.989 -4.689 -7.428 1.00 65.24 H new ATOM 0 HA VAL A 46 -11.107 -2.291 -8.366 1.00 33.34 H new ATOM 0 HB VAL A 46 -12.471 -4.699 -7.049 1.00 70.04 H new ATOM 0 HG11 VAL A 46 -14.499 -4.072 -8.337 1.00 53.43 H new ATOM 0 HG12 VAL A 46 -14.028 -2.813 -7.171 1.00 53.43 H new ATOM 0 HG13 VAL A 46 -13.673 -2.601 -8.902 1.00 53.43 H new ATOM 0 HG21 VAL A 46 -12.795 -5.555 -9.370 1.00 60.34 H new ATOM 0 HG22 VAL A 46 -11.849 -4.183 -9.995 1.00 60.34 H new ATOM 0 HG23 VAL A 46 -11.073 -5.398 -8.951 1.00 60.34 H new ATOM 772 N ASP A 47 -11.676 -2.813 -5.104 1.00 33.13 N ATOM 773 CA ASP A 47 -12.042 -2.175 -3.811 1.00 20.20 C ATOM 774 C ASP A 47 -10.975 -1.152 -3.350 1.00 21.24 C ATOM 775 O ASP A 47 -11.306 -0.101 -2.780 1.00 41.12 O ATOM 776 CB ASP A 47 -12.244 -3.265 -2.724 1.00 71.11 C ATOM 777 CG ASP A 47 -13.418 -4.210 -3.043 1.00 71.50 C ATOM 778 OD1 ASP A 47 -13.279 -5.065 -3.941 1.00 14.42 O ATOM 779 OD2 ASP A 47 -14.493 -4.092 -2.414 1.00 63.33 O ATOM 0 H ASP A 47 -11.438 -3.801 -5.018 1.00 33.13 H new ATOM 0 HA ASP A 47 -12.974 -1.630 -3.960 1.00 20.20 H new ATOM 0 HB2 ASP A 47 -11.329 -3.849 -2.626 1.00 71.11 H new ATOM 0 HB3 ASP A 47 -12.420 -2.785 -1.762 1.00 71.11 H new ATOM 784 N PHE A 48 -9.696 -1.469 -3.623 1.00 3.13 N ATOM 785 CA PHE A 48 -8.559 -0.617 -3.233 1.00 54.02 C ATOM 786 C PHE A 48 -8.542 0.702 -4.045 1.00 10.12 C ATOM 787 O PHE A 48 -8.173 1.746 -3.514 1.00 33.44 O ATOM 788 CB PHE A 48 -7.212 -1.376 -3.395 1.00 52.22 C ATOM 789 CG PHE A 48 -6.039 -0.620 -2.762 1.00 64.35 C ATOM 790 CD1 PHE A 48 -5.776 -0.744 -1.398 1.00 34.54 C ATOM 791 CD2 PHE A 48 -5.243 0.255 -3.504 1.00 32.55 C ATOM 792 CE1 PHE A 48 -4.762 -0.027 -0.797 1.00 53.13 C ATOM 793 CE2 PHE A 48 -4.241 0.982 -2.899 1.00 74.35 C ATOM 794 CZ PHE A 48 -3.994 0.836 -1.545 1.00 1.14 C ATOM 0 H PHE A 48 -9.423 -2.318 -4.117 1.00 3.13 H new ATOM 0 HA PHE A 48 -8.684 -0.364 -2.180 1.00 54.02 H new ATOM 0 HB2 PHE A 48 -7.296 -2.362 -2.937 1.00 52.22 H new ATOM 0 HB3 PHE A 48 -7.011 -1.533 -4.455 1.00 52.22 H new ATOM 0 HD1 PHE A 48 -6.377 -1.414 -0.801 1.00 34.54 H new ATOM 0 HD2 PHE A 48 -5.415 0.363 -4.565 1.00 32.55 H new ATOM 0 HE1 PHE A 48 -4.571 -0.143 0.260 1.00 53.13 H new ATOM 0 HE2 PHE A 48 -3.646 1.668 -3.483 1.00 74.35 H new ATOM 0 HZ PHE A 48 -3.200 1.398 -1.076 1.00 1.14 H new ATOM 804 N ASN A 49 -8.946 0.631 -5.333 1.00 73.31 N ATOM 805 CA ASN A 49 -9.068 1.823 -6.212 1.00 33.24 C ATOM 806 C ASN A 49 -10.078 2.848 -5.647 1.00 1.31 C ATOM 807 O ASN A 49 -9.842 4.051 -5.734 1.00 63.21 O ATOM 808 CB ASN A 49 -9.465 1.402 -7.663 1.00 24.43 C ATOM 809 CG ASN A 49 -8.295 0.913 -8.537 1.00 41.40 C ATOM 810 OD1 ASN A 49 -8.326 1.062 -9.753 1.00 75.21 O ATOM 811 ND2 ASN A 49 -7.268 0.325 -7.945 1.00 5.43 N ATOM 0 H ASN A 49 -9.196 -0.245 -5.793 1.00 73.31 H new ATOM 0 HA ASN A 49 -8.092 2.306 -6.245 1.00 33.24 H new ATOM 0 HB2 ASN A 49 -10.212 0.610 -7.605 1.00 24.43 H new ATOM 0 HB3 ASN A 49 -9.938 2.251 -8.156 1.00 24.43 H new ATOM 0 HD21 ASN A 49 -6.484 -0.014 -8.502 1.00 5.43 H new ATOM 0 HD22 ASN A 49 -7.261 0.210 -6.931 1.00 5.43 H new ATOM 818 N GLU A 50 -11.189 2.355 -5.062 1.00 34.41 N ATOM 819 CA GLU A 50 -12.205 3.217 -4.416 1.00 23.12 C ATOM 820 C GLU A 50 -11.653 3.858 -3.112 1.00 62.30 C ATOM 821 O GLU A 50 -11.869 5.047 -2.858 1.00 55.42 O ATOM 822 CB GLU A 50 -13.489 2.405 -4.128 1.00 15.11 C ATOM 823 CG GLU A 50 -14.673 3.246 -3.601 1.00 12.32 C ATOM 824 CD GLU A 50 -15.924 2.407 -3.287 1.00 4.11 C ATOM 825 OE1 GLU A 50 -16.658 2.038 -4.230 1.00 20.44 O ATOM 826 OE2 GLU A 50 -16.179 2.112 -2.098 1.00 55.25 O ATOM 0 H GLU A 50 -11.408 1.359 -5.023 1.00 34.41 H new ATOM 0 HA GLU A 50 -12.451 4.027 -5.103 1.00 23.12 H new ATOM 0 HB2 GLU A 50 -13.797 1.900 -5.043 1.00 15.11 H new ATOM 0 HB3 GLU A 50 -13.257 1.629 -3.398 1.00 15.11 H new ATOM 0 HG2 GLU A 50 -14.362 3.773 -2.699 1.00 12.32 H new ATOM 0 HG3 GLU A 50 -14.929 4.004 -4.341 1.00 12.32 H new ATOM 833 N MET A 51 -10.922 3.054 -2.312 1.00 52.24 N ATOM 834 CA MET A 51 -10.234 3.526 -1.076 1.00 43.44 C ATOM 835 C MET A 51 -9.209 4.648 -1.393 1.00 41.24 C ATOM 836 O MET A 51 -9.147 5.663 -0.701 1.00 1.41 O ATOM 837 CB MET A 51 -9.540 2.324 -0.372 1.00 54.15 C ATOM 838 CG MET A 51 -8.734 2.671 0.892 1.00 34.02 C ATOM 839 SD MET A 51 -8.137 1.204 1.761 1.00 1.30 S ATOM 840 CE MET A 51 -9.660 0.523 2.424 1.00 73.10 C ATOM 0 H MET A 51 -10.788 2.060 -2.498 1.00 52.24 H new ATOM 0 HA MET A 51 -10.980 3.950 -0.404 1.00 43.44 H new ATOM 0 HB2 MET A 51 -10.302 1.592 -0.106 1.00 54.15 H new ATOM 0 HB3 MET A 51 -8.872 1.843 -1.087 1.00 54.15 H new ATOM 0 HG2 MET A 51 -7.885 3.296 0.616 1.00 34.02 H new ATOM 0 HG3 MET A 51 -9.357 3.259 1.566 1.00 34.02 H new ATOM 0 HE1 MET A 51 -9.426 -0.189 3.215 1.00 73.10 H new ATOM 0 HE2 MET A 51 -10.272 1.328 2.830 1.00 73.10 H new ATOM 0 HE3 MET A 51 -10.208 0.016 1.630 1.00 73.10 H new ATOM 850 N MET A 52 -8.460 4.438 -2.478 1.00 32.34 N ATOM 851 CA MET A 52 -7.443 5.376 -3.001 1.00 54.21 C ATOM 852 C MET A 52 -8.094 6.618 -3.671 1.00 24.34 C ATOM 853 O MET A 52 -7.517 7.706 -3.671 1.00 41.23 O ATOM 854 CB MET A 52 -6.567 4.603 -4.021 1.00 72.41 C ATOM 855 CG MET A 52 -5.442 5.404 -4.694 1.00 51.44 C ATOM 856 SD MET A 52 -4.625 4.461 -6.002 1.00 40.10 S ATOM 857 CE MET A 52 -5.980 4.191 -7.155 1.00 13.40 C ATOM 0 H MET A 52 -8.540 3.589 -3.038 1.00 32.34 H new ATOM 0 HA MET A 52 -6.836 5.750 -2.177 1.00 54.21 H new ATOM 0 HB2 MET A 52 -6.122 3.749 -3.512 1.00 72.41 H new ATOM 0 HB3 MET A 52 -7.218 4.206 -4.800 1.00 72.41 H new ATOM 0 HG2 MET A 52 -5.852 6.323 -5.112 1.00 51.44 H new ATOM 0 HG3 MET A 52 -4.706 5.696 -3.944 1.00 51.44 H new ATOM 0 HE1 MET A 52 -6.201 3.125 -7.214 1.00 13.40 H new ATOM 0 HE2 MET A 52 -6.864 4.726 -6.809 1.00 13.40 H new ATOM 0 HE3 MET A 52 -5.697 4.558 -8.142 1.00 13.40 H new ATOM 867 N SER A 53 -9.302 6.430 -4.236 1.00 24.52 N ATOM 868 CA SER A 53 -10.068 7.509 -4.915 1.00 34.50 C ATOM 869 C SER A 53 -10.592 8.553 -3.903 1.00 34.41 C ATOM 870 O SER A 53 -10.636 9.753 -4.192 1.00 64.53 O ATOM 871 CB SER A 53 -11.253 6.902 -5.703 1.00 71.52 C ATOM 872 OG SER A 53 -12.001 7.890 -6.395 1.00 41.35 O ATOM 0 H SER A 53 -9.780 5.529 -4.238 1.00 24.52 H new ATOM 0 HA SER A 53 -9.392 8.016 -5.604 1.00 34.50 H new ATOM 0 HB2 SER A 53 -10.875 6.169 -6.416 1.00 71.52 H new ATOM 0 HB3 SER A 53 -11.909 6.368 -5.015 1.00 71.52 H new ATOM 0 HG SER A 53 -12.738 7.463 -6.880 1.00 41.35 H new ATOM 878 N LYS A 54 -11.013 8.060 -2.721 1.00 22.51 N ATOM 879 CA LYS A 54 -11.439 8.918 -1.591 1.00 32.14 C ATOM 880 C LYS A 54 -10.201 9.506 -0.876 1.00 34.30 C ATOM 881 O LYS A 54 -10.076 10.719 -0.688 1.00 33.44 O ATOM 882 CB LYS A 54 -12.257 8.077 -0.564 1.00 75.33 C ATOM 883 CG LYS A 54 -13.471 7.328 -1.150 1.00 74.41 C ATOM 884 CD LYS A 54 -14.193 6.402 -0.125 1.00 55.42 C ATOM 885 CE LYS A 54 -13.350 5.192 0.358 1.00 12.34 C ATOM 886 NZ LYS A 54 -12.293 5.549 1.359 1.00 53.12 N ATOM 0 H LYS A 54 -11.068 7.061 -2.521 1.00 22.51 H new ATOM 0 HA LYS A 54 -12.056 9.726 -1.983 1.00 32.14 H new ATOM 0 HB2 LYS A 54 -11.590 7.350 -0.101 1.00 75.33 H new ATOM 0 HB3 LYS A 54 -12.606 8.739 0.228 1.00 75.33 H new ATOM 0 HG2 LYS A 54 -14.185 8.057 -1.533 1.00 74.41 H new ATOM 0 HG3 LYS A 54 -13.141 6.728 -1.998 1.00 74.41 H new ATOM 0 HD2 LYS A 54 -14.481 6.997 0.742 1.00 55.42 H new ATOM 0 HD3 LYS A 54 -15.113 6.030 -0.576 1.00 55.42 H new ATOM 0 HE2 LYS A 54 -14.016 4.450 0.797 1.00 12.34 H new ATOM 0 HE3 LYS A 54 -12.876 4.724 -0.505 1.00 12.34 H new ATOM 0 HZ1 LYS A 54 -12.270 4.831 2.111 1.00 53.12 H new ATOM 0 HZ2 LYS A 54 -11.367 5.587 0.887 1.00 53.12 H new ATOM 0 HZ3 LYS A 54 -12.508 6.478 1.775 1.00 53.12 H new ATOM 900 N GLU A 55 -9.292 8.597 -0.497 1.00 2.05 N ATOM 901 CA GLU A 55 -8.080 8.901 0.288 1.00 42.21 C ATOM 902 C GLU A 55 -6.844 8.839 -0.638 1.00 45.35 C ATOM 903 O GLU A 55 -6.147 7.818 -0.712 1.00 13.00 O ATOM 904 CB GLU A 55 -7.972 7.878 1.462 1.00 34.34 C ATOM 905 CG GLU A 55 -9.241 7.790 2.349 1.00 44.40 C ATOM 906 CD GLU A 55 -9.283 6.543 3.253 1.00 20.33 C ATOM 907 OE1 GLU A 55 -9.758 5.481 2.784 1.00 64.24 O ATOM 908 OE2 GLU A 55 -8.864 6.625 4.434 1.00 34.45 O ATOM 0 H GLU A 55 -9.378 7.608 -0.731 1.00 2.05 H new ATOM 0 HA GLU A 55 -8.133 9.905 0.710 1.00 42.21 H new ATOM 0 HB2 GLU A 55 -7.761 6.891 1.050 1.00 34.34 H new ATOM 0 HB3 GLU A 55 -7.123 8.150 2.089 1.00 34.34 H new ATOM 0 HG2 GLU A 55 -9.299 8.682 2.973 1.00 44.40 H new ATOM 0 HG3 GLU A 55 -10.122 7.792 1.707 1.00 44.40 H new ATOM 915 N GLN A 56 -6.628 9.927 -1.397 1.00 32.31 N ATOM 916 CA GLN A 56 -5.525 10.024 -2.378 1.00 32.43 C ATOM 917 C GLN A 56 -4.156 10.101 -1.665 1.00 44.30 C ATOM 918 O GLN A 56 -3.794 11.141 -1.103 1.00 42.40 O ATOM 919 CB GLN A 56 -5.724 11.244 -3.321 1.00 25.40 C ATOM 920 CG GLN A 56 -7.030 11.220 -4.141 1.00 22.54 C ATOM 921 CD GLN A 56 -7.119 12.352 -5.177 1.00 52.20 C ATOM 922 OE1 GLN A 56 -7.598 13.443 -4.887 1.00 30.52 O ATOM 923 NE2 GLN A 56 -6.654 12.103 -6.391 1.00 2.30 N ATOM 0 H GLN A 56 -7.210 10.764 -1.351 1.00 32.31 H new ATOM 0 HA GLN A 56 -5.539 9.120 -2.987 1.00 32.43 H new ATOM 0 HB2 GLN A 56 -5.703 12.155 -2.723 1.00 25.40 H new ATOM 0 HB3 GLN A 56 -4.880 11.295 -4.009 1.00 25.40 H new ATOM 0 HG2 GLN A 56 -7.112 10.261 -4.653 1.00 22.54 H new ATOM 0 HG3 GLN A 56 -7.879 11.292 -3.461 1.00 22.54 H new ATOM 0 HE21 GLN A 56 -6.260 11.188 -6.608 1.00 2.30 H new ATOM 0 HE22 GLN A 56 -6.690 12.827 -7.109 1.00 2.30 H new ATOM 932 N PHE A 57 -3.416 8.982 -1.682 1.00 2.32 N ATOM 933 CA PHE A 57 -2.082 8.873 -1.045 1.00 33.34 C ATOM 934 C PHE A 57 -1.010 9.632 -1.866 1.00 54.53 C ATOM 935 O PHE A 57 -1.243 9.995 -3.025 1.00 51.40 O ATOM 936 CB PHE A 57 -1.694 7.375 -0.880 1.00 74.51 C ATOM 937 CG PHE A 57 -2.815 6.514 -0.288 1.00 12.43 C ATOM 938 CD1 PHE A 57 -3.177 6.634 1.055 1.00 20.22 C ATOM 939 CD2 PHE A 57 -3.525 5.607 -1.082 1.00 24.13 C ATOM 940 CE1 PHE A 57 -4.205 5.871 1.581 1.00 74.32 C ATOM 941 CE2 PHE A 57 -4.548 4.844 -0.551 1.00 74.22 C ATOM 942 CZ PHE A 57 -4.889 4.979 0.776 1.00 64.24 C ATOM 0 H PHE A 57 -3.721 8.122 -2.137 1.00 2.32 H new ATOM 0 HA PHE A 57 -2.130 9.334 -0.059 1.00 33.34 H new ATOM 0 HB2 PHE A 57 -1.412 6.972 -1.853 1.00 74.51 H new ATOM 0 HB3 PHE A 57 -0.815 7.304 -0.239 1.00 74.51 H new ATOM 0 HD1 PHE A 57 -2.649 7.330 1.690 1.00 20.22 H new ATOM 0 HD2 PHE A 57 -3.270 5.501 -2.126 1.00 24.13 H new ATOM 0 HE1 PHE A 57 -4.473 5.973 2.622 1.00 74.32 H new ATOM 0 HE2 PHE A 57 -5.080 4.142 -1.177 1.00 74.22 H new ATOM 0 HZ PHE A 57 -5.692 4.387 1.189 1.00 64.24 H new ATOM 952 N ASN A 58 0.166 9.854 -1.257 1.00 20.12 N ATOM 953 CA ASN A 58 1.300 10.554 -1.915 1.00 34.53 C ATOM 954 C ASN A 58 1.880 9.672 -3.050 1.00 11.24 C ATOM 955 O ASN A 58 1.789 8.454 -2.972 1.00 21.25 O ATOM 956 CB ASN A 58 2.405 10.876 -0.873 1.00 62.23 C ATOM 957 CG ASN A 58 1.936 11.746 0.299 1.00 35.40 C ATOM 958 OD1 ASN A 58 0.776 11.729 0.695 1.00 74.54 O ATOM 959 ND2 ASN A 58 2.843 12.497 0.882 1.00 74.30 N ATOM 0 H ASN A 58 0.365 9.559 -0.301 1.00 20.12 H new ATOM 0 HA ASN A 58 0.938 11.488 -2.343 1.00 34.53 H new ATOM 0 HB2 ASN A 58 2.800 9.940 -0.479 1.00 62.23 H new ATOM 0 HB3 ASN A 58 3.228 11.382 -1.378 1.00 62.23 H new ATOM 0 HD21 ASN A 58 2.587 13.080 1.679 1.00 74.30 H new ATOM 0 HD22 ASN A 58 3.803 12.497 0.538 1.00 74.30 H new ATOM 966 N GLU A 59 2.483 10.289 -4.089 1.00 40.54 N ATOM 967 CA GLU A 59 2.985 9.548 -5.286 1.00 50.12 C ATOM 968 C GLU A 59 4.085 8.499 -4.938 1.00 65.54 C ATOM 969 O GLU A 59 4.195 7.460 -5.604 1.00 43.15 O ATOM 970 CB GLU A 59 3.479 10.545 -6.372 1.00 24.15 C ATOM 971 CG GLU A 59 4.687 11.419 -5.968 1.00 32.31 C ATOM 972 CD GLU A 59 5.084 12.441 -7.051 1.00 2.42 C ATOM 973 OE1 GLU A 59 5.816 12.076 -7.997 1.00 52.43 O ATOM 974 OE2 GLU A 59 4.665 13.618 -6.962 1.00 62.04 O ATOM 0 H GLU A 59 2.638 11.296 -4.131 1.00 40.54 H new ATOM 0 HA GLU A 59 2.144 8.980 -5.684 1.00 50.12 H new ATOM 0 HB2 GLU A 59 3.743 9.980 -7.266 1.00 24.15 H new ATOM 0 HB3 GLU A 59 2.652 11.201 -6.642 1.00 24.15 H new ATOM 0 HG2 GLU A 59 4.451 11.950 -5.045 1.00 32.31 H new ATOM 0 HG3 GLU A 59 5.540 10.774 -5.756 1.00 32.31 H new ATOM 981 N ALA A 60 4.870 8.775 -3.877 1.00 31.42 N ATOM 982 CA ALA A 60 5.868 7.824 -3.329 1.00 51.35 C ATOM 983 C ALA A 60 5.181 6.652 -2.582 1.00 0.31 C ATOM 984 O ALA A 60 5.602 5.493 -2.704 1.00 71.03 O ATOM 985 CB ALA A 60 6.842 8.560 -2.394 1.00 1.41 C ATOM 0 H ALA A 60 4.833 9.661 -3.374 1.00 31.42 H new ATOM 0 HA ALA A 60 6.427 7.402 -4.164 1.00 51.35 H new ATOM 0 HB1 ALA A 60 7.570 7.853 -1.997 1.00 1.41 H new ATOM 0 HB2 ALA A 60 7.360 9.341 -2.950 1.00 1.41 H new ATOM 0 HB3 ALA A 60 6.287 9.009 -1.571 1.00 1.41 H new ATOM 991 N GLN A 61 4.116 6.978 -1.822 1.00 73.13 N ATOM 992 CA GLN A 61 3.277 5.977 -1.114 1.00 20.12 C ATOM 993 C GLN A 61 2.584 5.014 -2.114 1.00 73.33 C ATOM 994 O GLN A 61 2.577 3.797 -1.915 1.00 52.51 O ATOM 995 CB GLN A 61 2.208 6.695 -0.237 1.00 64.03 C ATOM 996 CG GLN A 61 2.777 7.477 0.971 1.00 33.21 C ATOM 997 CD GLN A 61 1.698 8.151 1.838 1.00 51.25 C ATOM 998 OE1 GLN A 61 0.560 7.697 1.915 1.00 32.34 O ATOM 999 NE2 GLN A 61 2.057 9.225 2.518 1.00 71.10 N ATOM 0 H GLN A 61 3.810 7.940 -1.679 1.00 73.13 H new ATOM 0 HA GLN A 61 3.930 5.386 -0.472 1.00 20.12 H new ATOM 0 HB2 GLN A 61 1.646 7.385 -0.866 1.00 64.03 H new ATOM 0 HB3 GLN A 61 1.501 5.951 0.130 1.00 64.03 H new ATOM 0 HG2 GLN A 61 3.356 6.795 1.593 1.00 33.21 H new ATOM 0 HG3 GLN A 61 3.466 8.239 0.607 1.00 33.21 H new ATOM 0 HE21 GLN A 61 3.008 9.585 2.439 1.00 71.10 H new ATOM 0 HE22 GLN A 61 1.383 9.695 3.123 1.00 71.10 H new ATOM 1008 N LEU A 62 2.037 5.596 -3.198 1.00 61.31 N ATOM 1009 CA LEU A 62 1.391 4.853 -4.303 1.00 44.31 C ATOM 1010 C LEU A 62 2.397 3.932 -5.032 1.00 63.02 C ATOM 1011 O LEU A 62 2.036 2.839 -5.469 1.00 40.10 O ATOM 1012 CB LEU A 62 0.760 5.856 -5.309 1.00 43.44 C ATOM 1013 CG LEU A 62 -0.401 6.744 -4.758 1.00 3.11 C ATOM 1014 CD1 LEU A 62 -0.799 7.856 -5.761 1.00 63.02 C ATOM 1015 CD2 LEU A 62 -1.625 5.882 -4.371 1.00 2.03 C ATOM 0 H LEU A 62 2.030 6.607 -3.335 1.00 61.31 H new ATOM 0 HA LEU A 62 0.611 4.221 -3.877 1.00 44.31 H new ATOM 0 HB2 LEU A 62 1.548 6.512 -5.679 1.00 43.44 H new ATOM 0 HB3 LEU A 62 0.386 5.294 -6.165 1.00 43.44 H new ATOM 0 HG LEU A 62 -0.034 7.235 -3.857 1.00 3.11 H new ATOM 0 HD11 LEU A 62 -1.609 8.452 -5.341 1.00 63.02 H new ATOM 0 HD12 LEU A 62 0.061 8.497 -5.953 1.00 63.02 H new ATOM 0 HD13 LEU A 62 -1.129 7.402 -6.695 1.00 63.02 H new ATOM 0 HD21 LEU A 62 -2.418 6.526 -3.991 1.00 2.03 H new ATOM 0 HD22 LEU A 62 -1.984 5.345 -5.249 1.00 2.03 H new ATOM 0 HD23 LEU A 62 -1.337 5.167 -3.600 1.00 2.03 H new ATOM 1027 N ALA A 63 3.660 4.398 -5.150 1.00 2.30 N ATOM 1028 CA ALA A 63 4.759 3.624 -5.772 1.00 70.45 C ATOM 1029 C ALA A 63 5.135 2.368 -4.938 1.00 44.23 C ATOM 1030 O ALA A 63 5.478 1.318 -5.501 1.00 34.04 O ATOM 1031 CB ALA A 63 5.977 4.528 -6.002 1.00 43.02 C ATOM 0 H ALA A 63 3.947 5.319 -4.818 1.00 2.30 H new ATOM 0 HA ALA A 63 4.407 3.261 -6.738 1.00 70.45 H new ATOM 0 HB1 ALA A 63 6.779 3.949 -6.460 1.00 43.02 H new ATOM 0 HB2 ALA A 63 5.701 5.350 -6.663 1.00 43.02 H new ATOM 0 HB3 ALA A 63 6.318 4.929 -5.047 1.00 43.02 H new ATOM 1037 N LEU A 64 5.059 2.485 -3.595 1.00 21.33 N ATOM 1038 CA LEU A 64 5.229 1.331 -2.670 1.00 53.21 C ATOM 1039 C LEU A 64 4.053 0.333 -2.815 1.00 3.33 C ATOM 1040 O LEU A 64 4.258 -0.881 -2.826 1.00 41.01 O ATOM 1041 CB LEU A 64 5.343 1.818 -1.198 1.00 12.22 C ATOM 1042 CG LEU A 64 5.464 0.705 -0.095 1.00 34.41 C ATOM 1043 CD1 LEU A 64 6.687 -0.215 -0.319 1.00 12.41 C ATOM 1044 CD2 LEU A 64 5.499 1.323 1.317 1.00 74.20 C ATOM 0 H LEU A 64 4.880 3.370 -3.120 1.00 21.33 H new ATOM 0 HA LEU A 64 6.153 0.818 -2.938 1.00 53.21 H new ATOM 0 HB2 LEU A 64 6.214 2.469 -1.121 1.00 12.22 H new ATOM 0 HB3 LEU A 64 4.468 2.427 -0.972 1.00 12.22 H new ATOM 0 HG LEU A 64 4.573 0.083 -0.179 1.00 34.41 H new ATOM 0 HD11 LEU A 64 6.726 -0.967 0.469 1.00 12.41 H new ATOM 0 HD12 LEU A 64 6.599 -0.708 -1.287 1.00 12.41 H new ATOM 0 HD13 LEU A 64 7.599 0.381 -0.297 1.00 12.41 H new ATOM 0 HD21 LEU A 64 5.583 0.529 2.060 1.00 74.20 H new ATOM 0 HD22 LEU A 64 6.357 1.991 1.401 1.00 74.20 H new ATOM 0 HD23 LEU A 64 4.582 1.886 1.490 1.00 74.20 H new ATOM 1056 N ILE A 65 2.829 0.876 -2.939 1.00 60.52 N ATOM 1057 CA ILE A 65 1.601 0.084 -3.179 1.00 54.34 C ATOM 1058 C ILE A 65 1.717 -0.773 -4.478 1.00 31.33 C ATOM 1059 O ILE A 65 1.275 -1.925 -4.490 1.00 15.55 O ATOM 1060 CB ILE A 65 0.342 1.035 -3.234 1.00 73.12 C ATOM 1061 CG1 ILE A 65 0.110 1.711 -1.833 1.00 40.02 C ATOM 1062 CG2 ILE A 65 -0.928 0.293 -3.720 1.00 33.20 C ATOM 1063 CD1 ILE A 65 -0.934 2.823 -1.805 1.00 72.30 C ATOM 0 H ILE A 65 2.659 1.880 -2.876 1.00 60.52 H new ATOM 0 HA ILE A 65 1.476 -0.609 -2.347 1.00 54.34 H new ATOM 0 HB ILE A 65 0.546 1.816 -3.967 1.00 73.12 H new ATOM 0 HG12 ILE A 65 -0.187 0.940 -1.122 1.00 40.02 H new ATOM 0 HG13 ILE A 65 1.059 2.118 -1.484 1.00 40.02 H new ATOM 0 HG21 ILE A 65 -1.769 0.987 -3.742 1.00 33.20 H new ATOM 0 HG22 ILE A 65 -0.758 -0.102 -4.721 1.00 33.20 H new ATOM 0 HG23 ILE A 65 -1.153 -0.528 -3.039 1.00 33.20 H new ATOM 0 HD11 ILE A 65 -1.015 3.220 -0.793 1.00 72.30 H new ATOM 0 HD12 ILE A 65 -0.634 3.621 -2.485 1.00 72.30 H new ATOM 0 HD13 ILE A 65 -1.899 2.424 -2.117 1.00 72.30 H new ATOM 1075 N ARG A 66 2.347 -0.208 -5.549 1.00 60.55 N ATOM 1076 CA ARG A 66 2.624 -0.956 -6.816 1.00 24.45 C ATOM 1077 C ARG A 66 3.428 -2.236 -6.510 1.00 71.33 C ATOM 1078 O ARG A 66 3.046 -3.331 -6.900 1.00 0.11 O ATOM 1079 CB ARG A 66 3.450 -0.110 -7.841 1.00 62.22 C ATOM 1080 CG ARG A 66 2.968 1.328 -8.085 1.00 40.20 C ATOM 1081 CD ARG A 66 1.531 1.437 -8.601 1.00 14.42 C ATOM 1082 NE ARG A 66 1.126 2.846 -8.698 1.00 20.35 N ATOM 1083 CZ ARG A 66 -0.096 3.286 -8.858 1.00 74.21 C ATOM 1084 NH1 ARG A 66 -1.109 2.475 -8.953 1.00 25.34 N ATOM 1085 NH2 ARG A 66 -0.295 4.560 -8.911 1.00 54.22 N ATOM 0 H ARG A 66 2.672 0.759 -5.562 1.00 60.55 H new ATOM 0 HA ARG A 66 1.654 -1.192 -7.253 1.00 24.45 H new ATOM 0 HB2 ARG A 66 4.483 -0.070 -7.497 1.00 62.22 H new ATOM 0 HB3 ARG A 66 3.452 -0.636 -8.796 1.00 62.22 H new ATOM 0 HG2 ARG A 66 3.050 1.888 -7.153 1.00 40.20 H new ATOM 0 HG3 ARG A 66 3.636 1.805 -8.803 1.00 40.20 H new ATOM 0 HD2 ARG A 66 1.452 0.961 -9.579 1.00 14.42 H new ATOM 0 HD3 ARG A 66 0.856 0.904 -7.932 1.00 14.42 H new ATOM 0 HE ARG A 66 1.865 3.546 -8.635 1.00 20.35 H new ATOM 0 HH11 ARG A 66 -0.962 1.467 -8.903 1.00 25.34 H new ATOM 0 HH12 ARG A 66 -2.050 2.847 -9.077 1.00 25.34 H new ATOM 0 HH21 ARG A 66 0.492 5.203 -8.829 1.00 54.22 H new ATOM 0 HH22 ARG A 66 -1.240 4.924 -9.035 1.00 54.22 H new ATOM 1099 N ASP A 67 4.526 -2.041 -5.760 1.00 53.33 N ATOM 1100 CA ASP A 67 5.462 -3.110 -5.366 1.00 15.32 C ATOM 1101 C ASP A 67 4.737 -4.255 -4.610 1.00 71.22 C ATOM 1102 O ASP A 67 4.873 -5.431 -4.971 1.00 13.13 O ATOM 1103 CB ASP A 67 6.586 -2.486 -4.493 1.00 31.21 C ATOM 1104 CG ASP A 67 7.673 -3.486 -4.073 1.00 54.33 C ATOM 1105 OD1 ASP A 67 7.493 -4.198 -3.064 1.00 51.32 O ATOM 1106 OD2 ASP A 67 8.725 -3.559 -4.741 1.00 43.11 O ATOM 0 H ASP A 67 4.793 -1.123 -5.405 1.00 53.33 H new ATOM 0 HA ASP A 67 5.896 -3.555 -6.261 1.00 15.32 H new ATOM 0 HB2 ASP A 67 7.051 -1.669 -5.045 1.00 31.21 H new ATOM 0 HB3 ASP A 67 6.139 -2.052 -3.598 1.00 31.21 H new ATOM 1111 N ILE A 68 3.955 -3.882 -3.583 1.00 1.52 N ATOM 1112 CA ILE A 68 3.228 -4.834 -2.707 1.00 70.24 C ATOM 1113 C ILE A 68 2.159 -5.657 -3.495 1.00 51.31 C ATOM 1114 O ILE A 68 1.996 -6.867 -3.266 1.00 34.11 O ATOM 1115 CB ILE A 68 2.554 -4.063 -1.503 1.00 22.42 C ATOM 1116 CG1 ILE A 68 3.623 -3.248 -0.693 1.00 45.45 C ATOM 1117 CG2 ILE A 68 1.778 -5.022 -0.572 1.00 32.04 C ATOM 1118 CD1 ILE A 68 3.059 -2.355 0.410 1.00 32.12 C ATOM 0 H ILE A 68 3.804 -2.905 -3.330 1.00 1.52 H new ATOM 0 HA ILE A 68 3.958 -5.543 -2.316 1.00 70.24 H new ATOM 0 HB ILE A 68 1.834 -3.363 -1.927 1.00 22.42 H new ATOM 0 HG12 ILE A 68 4.329 -3.948 -0.246 1.00 45.45 H new ATOM 0 HG13 ILE A 68 4.187 -2.627 -1.389 1.00 45.45 H new ATOM 0 HG21 ILE A 68 1.329 -4.454 0.243 1.00 32.04 H new ATOM 0 HG22 ILE A 68 0.994 -5.524 -1.139 1.00 32.04 H new ATOM 0 HG23 ILE A 68 2.463 -5.765 -0.163 1.00 32.04 H new ATOM 0 HD11 ILE A 68 3.876 -1.835 0.910 1.00 32.12 H new ATOM 0 HD12 ILE A 68 2.377 -1.625 -0.026 1.00 32.12 H new ATOM 0 HD13 ILE A 68 2.521 -2.967 1.134 1.00 32.12 H new ATOM 1130 N ARG A 69 1.455 -4.989 -4.432 1.00 15.11 N ATOM 1131 CA ARG A 69 0.401 -5.618 -5.267 1.00 74.44 C ATOM 1132 C ARG A 69 0.995 -6.583 -6.330 1.00 61.35 C ATOM 1133 O ARG A 69 0.524 -7.718 -6.476 1.00 24.52 O ATOM 1134 CB ARG A 69 -0.454 -4.530 -5.973 1.00 54.33 C ATOM 1135 CG ARG A 69 -1.337 -3.668 -5.043 1.00 13.44 C ATOM 1136 CD ARG A 69 -2.324 -4.506 -4.211 1.00 2.55 C ATOM 1137 NE ARG A 69 -3.160 -5.396 -5.040 1.00 75.33 N ATOM 1138 CZ ARG A 69 -3.968 -6.327 -4.572 1.00 23.24 C ATOM 1139 NH1 ARG A 69 -4.099 -6.532 -3.302 1.00 24.32 N ATOM 1140 NH2 ARG A 69 -4.639 -7.062 -5.394 1.00 63.14 N ATOM 0 H ARG A 69 1.598 -3.999 -4.634 1.00 15.11 H new ATOM 0 HA ARG A 69 -0.229 -6.203 -4.597 1.00 74.44 H new ATOM 0 HB2 ARG A 69 0.215 -3.869 -6.525 1.00 54.33 H new ATOM 0 HB3 ARG A 69 -1.097 -5.017 -6.706 1.00 54.33 H new ATOM 0 HG2 ARG A 69 -0.698 -3.095 -4.371 1.00 13.44 H new ATOM 0 HG3 ARG A 69 -1.894 -2.949 -5.643 1.00 13.44 H new ATOM 0 HD2 ARG A 69 -1.767 -5.105 -3.491 1.00 2.55 H new ATOM 0 HD3 ARG A 69 -2.969 -3.838 -3.639 1.00 2.55 H new ATOM 0 HE ARG A 69 -3.109 -5.282 -6.052 1.00 75.33 H new ATOM 0 HH11 ARG A 69 -3.571 -5.967 -2.637 1.00 24.32 H new ATOM 0 HH12 ARG A 69 -4.731 -7.259 -2.965 1.00 24.32 H new ATOM 0 HH21 ARG A 69 -4.543 -6.921 -6.400 1.00 63.14 H new ATOM 0 HH22 ARG A 69 -5.266 -7.784 -5.038 1.00 63.14 H new ATOM 1154 N ARG A 70 2.023 -6.107 -7.063 1.00 14.12 N ATOM 1155 CA ARG A 70 2.703 -6.891 -8.136 1.00 72.51 C ATOM 1156 C ARG A 70 3.436 -8.129 -7.565 1.00 22.23 C ATOM 1157 O ARG A 70 3.613 -9.137 -8.260 1.00 3.23 O ATOM 1158 CB ARG A 70 3.709 -5.990 -8.909 1.00 32.00 C ATOM 1159 CG ARG A 70 3.067 -4.799 -9.659 1.00 63.52 C ATOM 1160 CD ARG A 70 4.114 -3.854 -10.284 1.00 5.44 C ATOM 1161 NE ARG A 70 3.495 -2.654 -10.877 1.00 13.32 N ATOM 1162 CZ ARG A 70 4.147 -1.612 -11.360 1.00 31.32 C ATOM 1163 NH1 ARG A 70 5.443 -1.544 -11.329 1.00 14.10 N ATOM 1164 NH2 ARG A 70 3.482 -0.619 -11.859 1.00 74.41 N ATOM 0 H ARG A 70 2.410 -5.172 -6.935 1.00 14.12 H new ATOM 0 HA ARG A 70 1.932 -7.244 -8.821 1.00 72.51 H new ATOM 0 HB2 ARG A 70 4.445 -5.603 -8.204 1.00 32.00 H new ATOM 0 HB3 ARG A 70 4.249 -6.606 -9.628 1.00 32.00 H new ATOM 0 HG2 ARG A 70 2.413 -5.179 -10.444 1.00 63.52 H new ATOM 0 HG3 ARG A 70 2.441 -4.235 -8.968 1.00 63.52 H new ATOM 0 HD2 ARG A 70 4.831 -3.552 -9.520 1.00 5.44 H new ATOM 0 HD3 ARG A 70 4.673 -4.390 -11.051 1.00 5.44 H new ATOM 0 HE ARG A 70 2.476 -2.626 -10.918 1.00 13.32 H new ATOM 0 HH11 ARG A 70 5.984 -2.308 -10.924 1.00 14.10 H new ATOM 0 HH12 ARG A 70 5.920 -0.727 -11.710 1.00 14.10 H new ATOM 0 HH21 ARG A 70 2.463 -0.646 -11.877 1.00 74.41 H new ATOM 0 HH22 ARG A 70 3.978 0.190 -12.234 1.00 74.41 H new ATOM 1178 N ARG A 71 3.881 -8.019 -6.306 1.00 13.43 N ATOM 1179 CA ARG A 71 4.562 -9.115 -5.587 1.00 14.05 C ATOM 1180 C ARG A 71 3.551 -10.132 -5.002 1.00 54.30 C ATOM 1181 O ARG A 71 3.722 -11.346 -5.164 1.00 23.03 O ATOM 1182 CB ARG A 71 5.452 -8.521 -4.461 1.00 51.43 C ATOM 1183 CG ARG A 71 6.271 -9.556 -3.664 1.00 0.33 C ATOM 1184 CD ARG A 71 7.250 -8.908 -2.668 1.00 11.21 C ATOM 1185 NE ARG A 71 7.972 -9.929 -1.888 1.00 43.32 N ATOM 1186 CZ ARG A 71 9.199 -9.820 -1.423 1.00 4.41 C ATOM 1187 NH1 ARG A 71 9.945 -8.801 -1.704 1.00 44.35 N ATOM 1188 NH2 ARG A 71 9.690 -10.769 -0.707 1.00 71.43 N ATOM 0 H ARG A 71 3.781 -7.168 -5.753 1.00 13.43 H new ATOM 0 HA ARG A 71 5.187 -9.655 -6.298 1.00 14.05 H new ATOM 0 HB2 ARG A 71 6.139 -7.800 -4.904 1.00 51.43 H new ATOM 0 HB3 ARG A 71 4.816 -7.971 -3.767 1.00 51.43 H new ATOM 0 HG2 ARG A 71 5.589 -10.211 -3.121 1.00 0.33 H new ATOM 0 HG3 ARG A 71 6.830 -10.183 -4.359 1.00 0.33 H new ATOM 0 HD2 ARG A 71 7.965 -8.287 -3.208 1.00 11.21 H new ATOM 0 HD3 ARG A 71 6.703 -8.250 -1.992 1.00 11.21 H new ATOM 0 HE ARG A 71 7.476 -10.798 -1.691 1.00 43.32 H new ATOM 0 HH11 ARG A 71 9.586 -8.055 -2.300 1.00 44.35 H new ATOM 0 HH12 ARG A 71 10.892 -8.743 -1.329 1.00 44.35 H new ATOM 0 HH21 ARG A 71 9.130 -11.597 -0.504 1.00 71.43 H new ATOM 0 HH22 ARG A 71 10.640 -10.694 -0.342 1.00 71.43 H new