USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 578 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 LYS NZ :NH3+ -159:sc= 1.1 (180deg=0.348) USER MOD Set 1.2: A 47 TYR OH : rot 30:sc= 0.9 USER MOD Set 2.1: A 29 TYR OH : rot 159:sc= 1.97 USER MOD Set 2.2: A 70 SER OG : rot 84:sc= 2.24 USER MOD Single : A 24 MET CE :methyl 151:sc= -0.184 (180deg=-0.928) USER MOD Single : A 30 ASN : amide:sc= -1.41 K(o=-1.4,f=0) USER MOD Single : A 36 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 37 LYS NZ :NH3+ -142:sc= 0.795 (180deg=-0.561) USER MOD Single : A 38 MET CE :methyl 150:sc= -1.65 (180deg=-3.5!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 168:sc= -0.0243 (180deg=-0.196) USER MOD Single : A 59 HIS : no HE2:sc= 0.0763 K(o=0.076,f=-1.3) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00985 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0024 USER MOD Single : A 88 LYS NZ :NH3+ 167:sc=-0.00477 (180deg=-0.145) USER MOD Single : A 90 MET CE :methyl -125:sc= -3.74! (180deg=-4.61!) USER MOD Single : A 92 LYS NZ :NH3+ 154:sc= 0.926 (180deg=0.515) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= -0.981 K(o=-0.98,f=-0.33) USER MOD ----------------------------------------------------------------- ATOM 368 N MET A 24 -9.448 10.070 2.351 1.00 24.41 N ATOM 369 CA MET A 24 -9.545 8.707 1.804 1.00 63.21 C ATOM 370 C MET A 24 -8.155 8.040 1.648 1.00 42.21 C ATOM 371 O MET A 24 -7.188 8.455 2.294 1.00 21.21 O ATOM 372 CB MET A 24 -10.289 8.811 0.460 1.00 10.41 C ATOM 373 CG MET A 24 -9.539 9.584 -0.634 1.00 74.22 C ATOM 374 SD MET A 24 -10.615 10.057 -1.996 1.00 14.44 S ATOM 375 CE MET A 24 -11.657 11.243 -1.173 1.00 61.24 C ATOM 0 HA MET A 24 -10.093 8.063 2.492 1.00 63.21 H new ATOM 0 HB2 MET A 24 -10.496 7.804 0.097 1.00 10.41 H new ATOM 0 HB3 MET A 24 -11.252 9.293 0.630 1.00 10.41 H new ATOM 0 HG2 MET A 24 -9.090 10.478 -0.201 1.00 74.22 H new ATOM 0 HG3 MET A 24 -8.723 8.970 -1.015 1.00 74.22 H new ATOM 0 HE1 MET A 24 -12.006 11.983 -1.894 1.00 61.24 H new ATOM 0 HE2 MET A 24 -12.514 10.732 -0.734 1.00 61.24 H new ATOM 0 HE3 MET A 24 -11.090 11.741 -0.387 1.00 61.24 H new ATOM 385 N GLY A 25 -8.081 6.953 0.827 1.00 65.21 N ATOM 386 CA GLY A 25 -6.820 6.232 0.569 1.00 2.41 C ATOM 387 C GLY A 25 -6.605 5.066 1.515 1.00 23.12 C ATOM 388 O GLY A 25 -6.268 3.953 1.087 1.00 34.24 O ATOM 0 H GLY A 25 -8.887 6.564 0.337 1.00 65.21 H new ATOM 0 HA2 GLY A 25 -6.820 5.866 -0.458 1.00 2.41 H new ATOM 0 HA3 GLY A 25 -5.985 6.926 0.660 1.00 2.41 H new ATOM 392 N ARG A 26 -6.837 5.341 2.806 1.00 71.15 N ATOM 393 CA ARG A 26 -6.645 4.386 3.915 1.00 43.14 C ATOM 394 C ARG A 26 -7.531 3.131 3.755 1.00 41.22 C ATOM 395 O ARG A 26 -7.192 2.061 4.260 1.00 65.11 O ATOM 396 CB ARG A 26 -6.962 5.107 5.259 1.00 65.40 C ATOM 397 CG ARG A 26 -6.175 6.427 5.466 1.00 62.03 C ATOM 398 CD ARG A 26 -6.619 7.243 6.694 1.00 64.23 C ATOM 399 NE ARG A 26 -5.899 8.534 6.770 1.00 33.03 N ATOM 400 CZ ARG A 26 -6.422 9.695 7.205 1.00 34.24 C ATOM 401 NH1 ARG A 26 -7.688 9.765 7.618 1.00 15.33 N ATOM 402 NH2 ARG A 26 -5.665 10.789 7.213 1.00 10.22 N ATOM 0 H ARG A 26 -7.171 6.253 3.119 1.00 71.15 H new ATOM 0 HA ARG A 26 -5.609 4.047 3.906 1.00 43.14 H new ATOM 0 HB2 ARG A 26 -8.030 5.322 5.301 1.00 65.40 H new ATOM 0 HB3 ARG A 26 -6.740 4.430 6.084 1.00 65.40 H new ATOM 0 HG2 ARG A 26 -5.115 6.193 5.564 1.00 62.03 H new ATOM 0 HG3 ARG A 26 -6.284 7.045 4.575 1.00 62.03 H new ATOM 0 HD2 ARG A 26 -7.692 7.425 6.644 1.00 64.23 H new ATOM 0 HD3 ARG A 26 -6.436 6.668 7.601 1.00 64.23 H new ATOM 0 HE ARG A 26 -4.925 8.544 6.467 1.00 33.03 H new ATOM 0 HH11 ARG A 26 -8.275 8.931 7.607 1.00 15.33 H new ATOM 0 HH12 ARG A 26 -8.069 10.653 7.945 1.00 15.33 H new ATOM 0 HH21 ARG A 26 -4.698 10.743 6.891 1.00 10.22 H new ATOM 0 HH22 ARG A 26 -6.051 11.674 7.541 1.00 10.22 H new ATOM 416 N ALA A 27 -8.666 3.284 3.038 1.00 31.31 N ATOM 417 CA ALA A 27 -9.611 2.179 2.794 1.00 23.33 C ATOM 418 C ALA A 27 -9.007 1.104 1.873 1.00 74.11 C ATOM 419 O ALA A 27 -9.254 -0.083 2.080 1.00 43.25 O ATOM 420 CB ALA A 27 -10.925 2.717 2.229 1.00 23.51 C ATOM 0 H ALA A 27 -8.948 4.169 2.617 1.00 31.31 H new ATOM 0 HA ALA A 27 -9.818 1.699 3.750 1.00 23.33 H new ATOM 0 HB1 ALA A 27 -11.612 1.889 2.054 1.00 23.51 H new ATOM 0 HB2 ALA A 27 -11.369 3.413 2.941 1.00 23.51 H new ATOM 0 HB3 ALA A 27 -10.732 3.233 1.289 1.00 23.51 H new ATOM 426 N LEU A 28 -8.195 1.530 0.869 1.00 54.23 N ATOM 427 CA LEU A 28 -7.431 0.594 0.007 1.00 64.25 C ATOM 428 C LEU A 28 -6.455 -0.229 0.863 1.00 43.05 C ATOM 429 O LEU A 28 -6.382 -1.446 0.722 1.00 32.21 O ATOM 430 CB LEU A 28 -6.641 1.332 -1.117 1.00 41.35 C ATOM 431 CG LEU A 28 -7.467 1.908 -2.301 1.00 72.12 C ATOM 432 CD1 LEU A 28 -6.556 2.574 -3.356 1.00 4.41 C ATOM 433 CD2 LEU A 28 -8.377 0.837 -2.936 1.00 33.42 C ATOM 0 H LEU A 28 -8.054 2.514 0.639 1.00 54.23 H new ATOM 0 HA LEU A 28 -8.155 -0.063 -0.475 1.00 64.25 H new ATOM 0 HB2 LEU A 28 -6.088 2.152 -0.659 1.00 41.35 H new ATOM 0 HB3 LEU A 28 -5.904 0.639 -1.524 1.00 41.35 H new ATOM 0 HG LEU A 28 -8.116 2.683 -1.894 1.00 72.12 H new ATOM 0 HD11 LEU A 28 -7.167 2.966 -4.169 1.00 4.41 H new ATOM 0 HD12 LEU A 28 -6.001 3.390 -2.894 1.00 4.41 H new ATOM 0 HD13 LEU A 28 -5.857 1.837 -3.750 1.00 4.41 H new ATOM 0 HD21 LEU A 28 -8.938 1.278 -3.760 1.00 33.42 H new ATOM 0 HD22 LEU A 28 -7.766 0.016 -3.312 1.00 33.42 H new ATOM 0 HD23 LEU A 28 -9.071 0.458 -2.186 1.00 33.42 H new ATOM 445 N TYR A 29 -5.749 0.469 1.770 1.00 3.24 N ATOM 446 CA TYR A 29 -4.782 -0.134 2.709 1.00 42.51 C ATOM 447 C TYR A 29 -5.439 -1.292 3.513 1.00 13.31 C ATOM 448 O TYR A 29 -4.806 -2.329 3.749 1.00 71.13 O ATOM 449 CB TYR A 29 -4.242 0.987 3.648 1.00 45.10 C ATOM 450 CG TYR A 29 -3.143 0.572 4.638 1.00 54.05 C ATOM 451 CD1 TYR A 29 -3.460 -0.050 5.848 1.00 34.35 C ATOM 452 CD2 TYR A 29 -1.794 0.829 4.375 1.00 63.22 C ATOM 453 CE1 TYR A 29 -2.482 -0.401 6.747 1.00 70.44 C ATOM 454 CE2 TYR A 29 -0.813 0.475 5.276 1.00 21.25 C ATOM 455 CZ TYR A 29 -1.165 -0.137 6.457 1.00 62.43 C ATOM 456 OH TYR A 29 -0.192 -0.494 7.358 1.00 61.12 O ATOM 0 H TYR A 29 -5.834 1.480 1.874 1.00 3.24 H new ATOM 0 HA TYR A 29 -3.949 -0.570 2.158 1.00 42.51 H new ATOM 0 HB2 TYR A 29 -3.857 1.797 3.028 1.00 45.10 H new ATOM 0 HB3 TYR A 29 -5.080 1.391 4.216 1.00 45.10 H new ATOM 0 HD1 TYR A 29 -4.494 -0.259 6.081 1.00 34.35 H new ATOM 0 HD2 TYR A 29 -1.516 1.313 3.450 1.00 63.22 H new ATOM 0 HE1 TYR A 29 -2.747 -0.882 7.677 1.00 70.44 H new ATOM 0 HE2 TYR A 29 0.225 0.677 5.057 1.00 21.25 H new ATOM 0 HH TYR A 29 0.671 -0.559 6.899 1.00 61.12 H new ATOM 466 N ASN A 30 -6.726 -1.101 3.886 1.00 72.00 N ATOM 467 CA ASN A 30 -7.538 -2.125 4.594 1.00 65.10 C ATOM 468 C ASN A 30 -7.777 -3.364 3.704 1.00 53.13 C ATOM 469 O ASN A 30 -7.679 -4.503 4.180 1.00 53.12 O ATOM 470 CB ASN A 30 -8.904 -1.533 5.052 1.00 21.13 C ATOM 471 CG ASN A 30 -8.816 -0.534 6.218 1.00 62.34 C ATOM 472 OD1 ASN A 30 -9.738 -0.451 7.029 1.00 14.14 O ATOM 473 ND2 ASN A 30 -7.741 0.253 6.317 1.00 71.24 N ATOM 0 H ASN A 30 -7.233 -0.234 3.706 1.00 72.00 H new ATOM 0 HA ASN A 30 -6.975 -2.434 5.474 1.00 65.10 H new ATOM 0 HB2 ASN A 30 -9.372 -1.037 4.202 1.00 21.13 H new ATOM 0 HB3 ASN A 30 -9.560 -2.353 5.344 1.00 21.13 H new ATOM 0 HD21 ASN A 30 -7.676 0.935 7.073 1.00 71.24 H new ATOM 0 HD22 ASN A 30 -6.985 0.172 5.637 1.00 71.24 H new ATOM 480 N ILE A 31 -8.071 -3.120 2.408 1.00 63.23 N ATOM 481 CA ILE A 31 -8.299 -4.192 1.403 1.00 63.43 C ATOM 482 C ILE A 31 -6.995 -4.997 1.189 1.00 30.20 C ATOM 483 O ILE A 31 -7.027 -6.212 0.943 1.00 2.32 O ATOM 484 CB ILE A 31 -8.778 -3.617 0.007 1.00 34.10 C ATOM 485 CG1 ILE A 31 -9.910 -2.573 0.187 1.00 22.11 C ATOM 486 CG2 ILE A 31 -9.247 -4.754 -0.927 1.00 32.41 C ATOM 487 CD1 ILE A 31 -10.360 -1.873 -1.084 1.00 71.22 C ATOM 0 H ILE A 31 -8.158 -2.178 2.026 1.00 63.23 H new ATOM 0 HA ILE A 31 -9.089 -4.834 1.794 1.00 63.43 H new ATOM 0 HB ILE A 31 -7.924 -3.119 -0.452 1.00 34.10 H new ATOM 0 HG12 ILE A 31 -10.772 -3.070 0.632 1.00 22.11 H new ATOM 0 HG13 ILE A 31 -9.575 -1.818 0.898 1.00 22.11 H new ATOM 0 HG21 ILE A 31 -9.571 -4.333 -1.879 1.00 32.41 H new ATOM 0 HG22 ILE A 31 -8.423 -5.447 -1.098 1.00 32.41 H new ATOM 0 HG23 ILE A 31 -10.078 -5.286 -0.464 1.00 32.41 H new ATOM 0 HD11 ILE A 31 -11.154 -1.164 -0.848 1.00 71.22 H new ATOM 0 HD12 ILE A 31 -9.517 -1.340 -1.524 1.00 71.22 H new ATOM 0 HD13 ILE A 31 -10.733 -2.612 -1.794 1.00 71.22 H new ATOM 499 N GLY A 32 -5.853 -4.280 1.299 1.00 63.15 N ATOM 500 CA GLY A 32 -4.522 -4.882 1.230 1.00 32.31 C ATOM 501 C GLY A 32 -4.291 -5.882 2.350 1.00 50.34 C ATOM 502 O GLY A 32 -3.864 -7.008 2.101 1.00 63.11 O ATOM 0 H GLY A 32 -5.839 -3.270 1.438 1.00 63.15 H new ATOM 0 HA2 GLY A 32 -4.399 -5.380 0.268 1.00 32.31 H new ATOM 0 HA3 GLY A 32 -3.766 -4.098 1.282 1.00 32.31 H new ATOM 506 N LEU A 33 -4.639 -5.467 3.582 1.00 24.14 N ATOM 507 CA LEU A 33 -4.552 -6.316 4.789 1.00 24.30 C ATOM 508 C LEU A 33 -5.412 -7.596 4.642 1.00 1.20 C ATOM 509 O LEU A 33 -5.029 -8.679 5.103 1.00 52.03 O ATOM 510 CB LEU A 33 -5.013 -5.503 6.029 1.00 41.31 C ATOM 511 CG LEU A 33 -4.172 -4.231 6.364 1.00 22.22 C ATOM 512 CD1 LEU A 33 -4.798 -3.442 7.536 1.00 12.10 C ATOM 513 CD2 LEU A 33 -2.695 -4.592 6.645 1.00 34.33 C ATOM 0 H LEU A 33 -4.991 -4.528 3.771 1.00 24.14 H new ATOM 0 HA LEU A 33 -3.515 -6.625 4.917 1.00 24.30 H new ATOM 0 HB2 LEU A 33 -6.049 -5.200 5.875 1.00 41.31 H new ATOM 0 HB3 LEU A 33 -4.999 -6.162 6.897 1.00 41.31 H new ATOM 0 HG LEU A 33 -4.186 -3.582 5.488 1.00 22.22 H new ATOM 0 HD11 LEU A 33 -4.191 -2.562 7.747 1.00 12.10 H new ATOM 0 HD12 LEU A 33 -5.807 -3.131 7.267 1.00 12.10 H new ATOM 0 HD13 LEU A 33 -4.838 -4.076 8.422 1.00 12.10 H new ATOM 0 HD21 LEU A 33 -2.136 -3.685 6.875 1.00 34.33 H new ATOM 0 HD22 LEU A 33 -2.642 -5.275 7.493 1.00 34.33 H new ATOM 0 HD23 LEU A 33 -2.264 -5.071 5.766 1.00 34.33 H new ATOM 525 N GLU A 34 -6.575 -7.448 3.986 1.00 64.43 N ATOM 526 CA GLU A 34 -7.537 -8.546 3.771 1.00 25.44 C ATOM 527 C GLU A 34 -7.004 -9.595 2.771 1.00 5.35 C ATOM 528 O GLU A 34 -7.112 -10.806 3.014 1.00 61.31 O ATOM 529 CB GLU A 34 -8.889 -7.974 3.285 1.00 52.03 C ATOM 530 CG GLU A 34 -9.648 -7.129 4.321 1.00 55.41 C ATOM 531 CD GLU A 34 -9.981 -7.901 5.610 1.00 75.42 C ATOM 532 OE1 GLU A 34 -10.738 -8.891 5.549 1.00 12.43 O ATOM 533 OE2 GLU A 34 -9.470 -7.536 6.691 1.00 35.22 O ATOM 0 H GLU A 34 -6.877 -6.559 3.587 1.00 64.43 H new ATOM 0 HA GLU A 34 -7.681 -9.054 4.725 1.00 25.44 H new ATOM 0 HB2 GLU A 34 -8.711 -7.363 2.400 1.00 52.03 H new ATOM 0 HB3 GLU A 34 -9.527 -8.802 2.977 1.00 52.03 H new ATOM 0 HG2 GLU A 34 -9.050 -6.254 4.574 1.00 55.41 H new ATOM 0 HG3 GLU A 34 -10.573 -6.764 3.875 1.00 55.41 H new ATOM 540 N LYS A 35 -6.429 -9.123 1.651 1.00 53.01 N ATOM 541 CA LYS A 35 -5.866 -10.010 0.612 1.00 52.13 C ATOM 542 C LYS A 35 -4.554 -10.668 1.072 1.00 21.41 C ATOM 543 O LYS A 35 -4.225 -11.780 0.632 1.00 24.25 O ATOM 544 CB LYS A 35 -5.668 -9.255 -0.727 1.00 2.30 C ATOM 545 CG LYS A 35 -6.994 -8.917 -1.449 1.00 70.42 C ATOM 546 CD LYS A 35 -6.793 -8.632 -2.948 1.00 33.50 C ATOM 547 CE LYS A 35 -8.114 -8.546 -3.730 1.00 2.24 C ATOM 548 NZ LYS A 35 -8.928 -7.353 -3.372 1.00 52.02 N ATOM 0 H LYS A 35 -6.341 -8.129 1.440 1.00 53.01 H new ATOM 0 HA LYS A 35 -6.591 -10.807 0.445 1.00 52.13 H new ATOM 0 HB2 LYS A 35 -5.122 -8.331 -0.536 1.00 2.30 H new ATOM 0 HB3 LYS A 35 -5.048 -9.861 -1.388 1.00 2.30 H new ATOM 0 HG2 LYS A 35 -7.690 -9.747 -1.331 1.00 70.42 H new ATOM 0 HG3 LYS A 35 -7.451 -8.048 -0.975 1.00 70.42 H new ATOM 0 HD2 LYS A 35 -6.248 -7.695 -3.063 1.00 33.50 H new ATOM 0 HD3 LYS A 35 -6.172 -9.417 -3.381 1.00 33.50 H new ATOM 0 HE2 LYS A 35 -7.896 -8.523 -4.798 1.00 2.24 H new ATOM 0 HE3 LYS A 35 -8.699 -9.447 -3.544 1.00 2.24 H new ATOM 0 HZ1 LYS A 35 -9.920 -7.517 -3.637 1.00 52.02 H new ATOM 0 HZ2 LYS A 35 -8.867 -7.186 -2.347 1.00 52.02 H new ATOM 0 HZ3 LYS A 35 -8.567 -6.521 -3.881 1.00 52.02 H new ATOM 562 N ASN A 36 -3.833 -9.986 1.973 1.00 35.53 N ATOM 563 CA ASN A 36 -2.562 -10.480 2.541 1.00 73.33 C ATOM 564 C ASN A 36 -2.794 -11.740 3.409 1.00 22.34 C ATOM 565 O ASN A 36 -1.918 -12.606 3.510 1.00 34.53 O ATOM 566 CB ASN A 36 -1.876 -9.354 3.360 1.00 3.52 C ATOM 567 CG ASN A 36 -0.422 -9.657 3.727 1.00 41.41 C ATOM 568 OD1 ASN A 36 0.294 -10.345 2.991 1.00 71.21 O ATOM 569 ND2 ASN A 36 0.029 -9.129 4.856 1.00 54.34 N ATOM 0 H ASN A 36 -4.112 -9.073 2.332 1.00 35.53 H new ATOM 0 HA ASN A 36 -1.901 -10.766 1.723 1.00 73.33 H new ATOM 0 HB2 ASN A 36 -1.911 -8.428 2.787 1.00 3.52 H new ATOM 0 HB3 ASN A 36 -2.444 -9.185 4.275 1.00 3.52 H new ATOM 0 HD21 ASN A 36 0.996 -9.285 5.142 1.00 54.34 H new ATOM 0 HD22 ASN A 36 -0.590 -8.566 5.439 1.00 54.34 H new ATOM 576 N LYS A 37 -4.010 -11.843 4.000 1.00 75.53 N ATOM 577 CA LYS A 37 -4.444 -13.017 4.801 1.00 22.21 C ATOM 578 C LYS A 37 -4.533 -14.286 3.925 1.00 13.51 C ATOM 579 O LYS A 37 -4.270 -15.396 4.395 1.00 22.42 O ATOM 580 CB LYS A 37 -5.821 -12.752 5.465 1.00 0.33 C ATOM 581 CG LYS A 37 -5.843 -11.567 6.454 1.00 64.52 C ATOM 582 CD LYS A 37 -7.246 -11.338 7.064 1.00 0.04 C ATOM 583 CE LYS A 37 -7.287 -10.121 7.994 1.00 0.32 C ATOM 584 NZ LYS A 37 -6.963 -8.864 7.272 1.00 64.41 N ATOM 0 H LYS A 37 -4.720 -11.113 3.935 1.00 75.53 H new ATOM 0 HA LYS A 37 -3.696 -13.176 5.578 1.00 22.21 H new ATOM 0 HB2 LYS A 37 -6.557 -12.568 4.682 1.00 0.33 H new ATOM 0 HB3 LYS A 37 -6.134 -13.653 5.992 1.00 0.33 H new ATOM 0 HG2 LYS A 37 -5.127 -11.751 7.255 1.00 64.52 H new ATOM 0 HG3 LYS A 37 -5.520 -10.662 5.940 1.00 64.52 H new ATOM 0 HD2 LYS A 37 -7.971 -11.203 6.261 1.00 0.04 H new ATOM 0 HD3 LYS A 37 -7.547 -12.226 7.619 1.00 0.04 H new ATOM 0 HE2 LYS A 37 -8.278 -10.038 8.441 1.00 0.32 H new ATOM 0 HE3 LYS A 37 -6.580 -10.264 8.811 1.00 0.32 H new ATOM 0 HZ1 LYS A 37 -6.392 -8.248 7.886 1.00 64.41 H new ATOM 0 HZ2 LYS A 37 -6.426 -9.087 6.410 1.00 64.41 H new ATOM 0 HZ3 LYS A 37 -7.844 -8.375 7.014 1.00 64.41 H new ATOM 598 N MET A 38 -4.905 -14.097 2.643 1.00 13.21 N ATOM 599 CA MET A 38 -4.991 -15.189 1.644 1.00 14.23 C ATOM 600 C MET A 38 -3.607 -15.512 1.039 1.00 42.21 C ATOM 601 O MET A 38 -3.494 -16.375 0.161 1.00 34.13 O ATOM 602 CB MET A 38 -5.995 -14.794 0.520 1.00 1.45 C ATOM 603 CG MET A 38 -7.427 -14.530 1.010 1.00 43.11 C ATOM 604 SD MET A 38 -8.584 -14.179 -0.335 1.00 22.24 S ATOM 605 CE MET A 38 -7.893 -12.681 -1.033 1.00 55.10 C ATOM 0 H MET A 38 -5.155 -13.182 2.267 1.00 13.21 H new ATOM 0 HA MET A 38 -5.347 -16.087 2.149 1.00 14.23 H new ATOM 0 HB2 MET A 38 -5.626 -13.900 0.018 1.00 1.45 H new ATOM 0 HB3 MET A 38 -6.020 -15.590 -0.224 1.00 1.45 H new ATOM 0 HG2 MET A 38 -7.780 -15.398 1.567 1.00 43.11 H new ATOM 0 HG3 MET A 38 -7.418 -13.688 1.703 1.00 43.11 H new ATOM 0 HE1 MET A 38 -8.120 -12.638 -2.098 1.00 55.10 H new ATOM 0 HE2 MET A 38 -8.326 -11.814 -0.534 1.00 55.10 H new ATOM 0 HE3 MET A 38 -6.812 -12.679 -0.892 1.00 55.10 H new ATOM 615 N GLY A 39 -2.561 -14.809 1.520 1.00 11.54 N ATOM 616 CA GLY A 39 -1.198 -14.953 1.006 1.00 62.42 C ATOM 617 C GLY A 39 -0.959 -14.143 -0.261 1.00 52.44 C ATOM 618 O GLY A 39 0.120 -14.225 -0.861 1.00 12.25 O ATOM 0 H GLY A 39 -2.645 -14.128 2.275 1.00 11.54 H new ATOM 0 HA2 GLY A 39 -0.490 -14.638 1.773 1.00 62.42 H new ATOM 0 HA3 GLY A 39 -1.000 -16.005 0.802 1.00 62.42 H new ATOM 622 N LYS A 40 -1.977 -13.355 -0.673 1.00 11.05 N ATOM 623 CA LYS A 40 -1.902 -12.504 -1.864 1.00 61.34 C ATOM 624 C LYS A 40 -1.247 -11.174 -1.489 1.00 45.13 C ATOM 625 O LYS A 40 -1.912 -10.141 -1.351 1.00 54.25 O ATOM 626 CB LYS A 40 -3.313 -12.305 -2.488 1.00 60.11 C ATOM 627 CG LYS A 40 -3.936 -13.603 -3.027 1.00 14.32 C ATOM 628 CD LYS A 40 -5.255 -13.373 -3.795 1.00 4.22 C ATOM 629 CE LYS A 40 -5.812 -14.678 -4.381 1.00 2.43 C ATOM 630 NZ LYS A 40 -7.086 -14.453 -5.108 1.00 44.43 N ATOM 0 H LYS A 40 -2.870 -13.297 -0.184 1.00 11.05 H new ATOM 0 HA LYS A 40 -1.288 -12.987 -2.624 1.00 61.34 H new ATOM 0 HB2 LYS A 40 -3.977 -11.878 -1.736 1.00 60.11 H new ATOM 0 HB3 LYS A 40 -3.243 -11.581 -3.300 1.00 60.11 H new ATOM 0 HG2 LYS A 40 -3.221 -14.095 -3.686 1.00 14.32 H new ATOM 0 HG3 LYS A 40 -4.122 -14.282 -2.195 1.00 14.32 H new ATOM 0 HD2 LYS A 40 -5.993 -12.932 -3.125 1.00 4.22 H new ATOM 0 HD3 LYS A 40 -5.087 -12.657 -4.599 1.00 4.22 H new ATOM 0 HE2 LYS A 40 -5.079 -15.115 -5.059 1.00 2.43 H new ATOM 0 HE3 LYS A 40 -5.973 -15.398 -3.578 1.00 2.43 H new ATOM 0 HZ1 LYS A 40 -7.432 -15.356 -5.490 1.00 44.43 H new ATOM 0 HZ2 LYS A 40 -7.793 -14.059 -4.455 1.00 44.43 H new ATOM 0 HZ3 LYS A 40 -6.927 -13.785 -5.889 1.00 44.43 H new ATOM 644 N ALA A 41 0.078 -11.245 -1.279 1.00 61.54 N ATOM 645 CA ALA A 41 0.905 -10.109 -0.863 1.00 3.32 C ATOM 646 C ALA A 41 1.154 -9.139 -2.028 1.00 31.52 C ATOM 647 O ALA A 41 1.447 -7.974 -1.803 1.00 1.24 O ATOM 648 CB ALA A 41 2.229 -10.620 -0.284 1.00 75.41 C ATOM 0 H ALA A 41 0.609 -12.108 -1.396 1.00 61.54 H new ATOM 0 HA ALA A 41 0.369 -9.555 -0.092 1.00 3.32 H new ATOM 0 HB1 ALA A 41 2.842 -9.773 0.025 1.00 75.41 H new ATOM 0 HB2 ALA A 41 2.028 -11.256 0.578 1.00 75.41 H new ATOM 0 HB3 ALA A 41 2.760 -11.195 -1.043 1.00 75.41 H new ATOM 654 N ARG A 42 1.044 -9.643 -3.275 1.00 53.53 N ATOM 655 CA ARG A 42 1.184 -8.823 -4.493 1.00 14.24 C ATOM 656 C ARG A 42 -0.048 -7.937 -4.635 1.00 52.05 C ATOM 657 O ARG A 42 0.054 -6.722 -4.813 1.00 73.22 O ATOM 658 CB ARG A 42 1.364 -9.744 -5.734 1.00 60.50 C ATOM 659 CG ARG A 42 1.950 -9.061 -6.991 1.00 32.20 C ATOM 660 CD ARG A 42 1.028 -8.050 -7.714 1.00 10.34 C ATOM 661 NE ARG A 42 -0.226 -8.677 -8.173 1.00 75.25 N ATOM 662 CZ ARG A 42 -1.077 -8.155 -9.073 1.00 55.20 C ATOM 663 NH1 ARG A 42 -0.850 -6.973 -9.642 1.00 42.25 N ATOM 664 NH2 ARG A 42 -2.172 -8.826 -9.394 1.00 5.13 N ATOM 0 H ARG A 42 0.856 -10.628 -3.464 1.00 53.53 H new ATOM 0 HA ARG A 42 2.067 -8.188 -4.420 1.00 14.24 H new ATOM 0 HB2 ARG A 42 2.013 -10.574 -5.457 1.00 60.50 H new ATOM 0 HB3 ARG A 42 0.394 -10.170 -5.992 1.00 60.50 H new ATOM 0 HG2 ARG A 42 2.866 -8.544 -6.704 1.00 32.20 H new ATOM 0 HG3 ARG A 42 2.231 -9.837 -7.703 1.00 32.20 H new ATOM 0 HD2 ARG A 42 0.796 -7.225 -7.040 1.00 10.34 H new ATOM 0 HD3 ARG A 42 1.555 -7.625 -8.568 1.00 10.34 H new ATOM 0 HE ARG A 42 -0.468 -9.584 -7.773 1.00 75.25 H new ATOM 0 HH11 ARG A 42 -0.014 -6.441 -9.398 1.00 42.25 H new ATOM 0 HH12 ARG A 42 -1.512 -6.599 -10.322 1.00 42.25 H new ATOM 0 HH21 ARG A 42 -2.363 -9.729 -8.960 1.00 5.13 H new ATOM 0 HH22 ARG A 42 -2.825 -8.440 -10.076 1.00 5.13 H new ATOM 678 N GLU A 43 -1.205 -8.586 -4.529 1.00 11.35 N ATOM 679 CA GLU A 43 -2.513 -7.942 -4.609 1.00 1.10 C ATOM 680 C GLU A 43 -2.679 -6.961 -3.427 1.00 53.15 C ATOM 681 O GLU A 43 -3.277 -5.901 -3.576 1.00 65.05 O ATOM 682 CB GLU A 43 -3.635 -9.016 -4.618 1.00 4.20 C ATOM 683 CG GLU A 43 -3.749 -9.883 -5.908 1.00 45.23 C ATOM 684 CD GLU A 43 -2.519 -10.772 -6.232 1.00 64.24 C ATOM 685 OE1 GLU A 43 -1.913 -11.353 -5.306 1.00 13.30 O ATOM 686 OE2 GLU A 43 -2.159 -10.902 -7.420 1.00 11.33 O ATOM 0 H GLU A 43 -1.260 -9.594 -4.382 1.00 11.35 H new ATOM 0 HA GLU A 43 -2.588 -7.375 -5.537 1.00 1.10 H new ATOM 0 HB2 GLU A 43 -3.477 -9.683 -3.770 1.00 4.20 H new ATOM 0 HB3 GLU A 43 -4.590 -8.515 -4.457 1.00 4.20 H new ATOM 0 HG2 GLU A 43 -4.624 -10.526 -5.815 1.00 45.23 H new ATOM 0 HG3 GLU A 43 -3.928 -9.220 -6.755 1.00 45.23 H new ATOM 693 N ALA A 44 -2.094 -7.330 -2.263 1.00 21.50 N ATOM 694 CA ALA A 44 -2.012 -6.463 -1.069 1.00 10.03 C ATOM 695 C ALA A 44 -1.131 -5.235 -1.344 1.00 55.10 C ATOM 696 O ALA A 44 -1.496 -4.104 -0.998 1.00 54.31 O ATOM 697 CB ALA A 44 -1.453 -7.265 0.120 1.00 61.53 C ATOM 0 H ALA A 44 -1.663 -8.245 -2.128 1.00 21.50 H new ATOM 0 HA ALA A 44 -3.015 -6.112 -0.825 1.00 10.03 H new ATOM 0 HB1 ALA A 44 -1.395 -6.621 0.998 1.00 61.53 H new ATOM 0 HB2 ALA A 44 -2.111 -8.108 0.331 1.00 61.53 H new ATOM 0 HB3 ALA A 44 -0.457 -7.634 -0.126 1.00 61.53 H new ATOM 703 N ALA A 45 0.014 -5.486 -2.010 1.00 70.21 N ATOM 704 CA ALA A 45 1.012 -4.458 -2.356 1.00 54.41 C ATOM 705 C ALA A 45 0.439 -3.430 -3.329 1.00 13.21 C ATOM 706 O ALA A 45 0.851 -2.269 -3.310 1.00 4.53 O ATOM 707 CB ALA A 45 2.265 -5.106 -2.955 1.00 12.00 C ATOM 0 H ALA A 45 0.273 -6.421 -2.326 1.00 70.21 H new ATOM 0 HA ALA A 45 1.284 -3.940 -1.436 1.00 54.41 H new ATOM 0 HB1 ALA A 45 2.991 -4.332 -3.204 1.00 12.00 H new ATOM 0 HB2 ALA A 45 2.701 -5.793 -2.230 1.00 12.00 H new ATOM 0 HB3 ALA A 45 1.995 -5.655 -3.857 1.00 12.00 H new ATOM 713 N GLU A 46 -0.513 -3.880 -4.178 1.00 13.20 N ATOM 714 CA GLU A 46 -1.273 -2.997 -5.074 1.00 60.54 C ATOM 715 C GLU A 46 -1.988 -1.910 -4.271 1.00 33.45 C ATOM 716 O GLU A 46 -1.888 -0.732 -4.578 1.00 71.41 O ATOM 717 CB GLU A 46 -2.312 -3.806 -5.892 1.00 53.31 C ATOM 718 CG GLU A 46 -1.710 -4.787 -6.913 1.00 31.13 C ATOM 719 CD GLU A 46 -0.882 -4.102 -8.016 1.00 4.31 C ATOM 720 OE1 GLU A 46 -1.337 -3.061 -8.547 1.00 3.34 O ATOM 721 OE2 GLU A 46 0.212 -4.604 -8.367 1.00 74.34 O ATOM 0 H GLU A 46 -0.771 -4.864 -4.257 1.00 13.20 H new ATOM 0 HA GLU A 46 -0.569 -2.530 -5.763 1.00 60.54 H new ATOM 0 HB2 GLU A 46 -2.942 -4.365 -5.200 1.00 53.31 H new ATOM 0 HB3 GLU A 46 -2.961 -3.107 -6.420 1.00 53.31 H new ATOM 0 HG2 GLU A 46 -1.077 -5.502 -6.387 1.00 31.13 H new ATOM 0 HG3 GLU A 46 -2.516 -5.355 -7.376 1.00 31.13 H new ATOM 728 N TYR A 47 -2.665 -2.334 -3.205 1.00 61.41 N ATOM 729 CA TYR A 47 -3.469 -1.446 -2.358 1.00 42.10 C ATOM 730 C TYR A 47 -2.604 -0.558 -1.464 1.00 22.34 C ATOM 731 O TYR A 47 -2.987 0.570 -1.174 1.00 55.41 O ATOM 732 CB TYR A 47 -4.435 -2.281 -1.506 1.00 53.04 C ATOM 733 CG TYR A 47 -5.502 -2.988 -2.335 1.00 4.31 C ATOM 734 CD1 TYR A 47 -6.470 -2.249 -3.010 1.00 21.15 C ATOM 735 CD2 TYR A 47 -5.540 -4.371 -2.457 1.00 73.22 C ATOM 736 CE1 TYR A 47 -7.435 -2.863 -3.771 1.00 13.11 C ATOM 737 CE2 TYR A 47 -6.503 -4.989 -3.220 1.00 62.44 C ATOM 738 CZ TYR A 47 -7.446 -4.229 -3.875 1.00 22.23 C ATOM 739 OH TYR A 47 -8.413 -4.853 -4.623 1.00 1.15 O ATOM 0 H TYR A 47 -2.673 -3.308 -2.901 1.00 61.41 H new ATOM 0 HA TYR A 47 -4.034 -0.784 -3.014 1.00 42.10 H new ATOM 0 HB2 TYR A 47 -3.867 -3.024 -0.945 1.00 53.04 H new ATOM 0 HB3 TYR A 47 -4.920 -1.633 -0.776 1.00 53.04 H new ATOM 0 HD1 TYR A 47 -6.462 -1.172 -2.934 1.00 21.15 H new ATOM 0 HD2 TYR A 47 -4.802 -4.970 -1.945 1.00 73.22 H new ATOM 0 HE1 TYR A 47 -8.180 -2.273 -4.284 1.00 13.11 H new ATOM 0 HE2 TYR A 47 -6.519 -6.066 -3.305 1.00 62.44 H new ATOM 0 HH TYR A 47 -8.691 -4.264 -5.355 1.00 1.15 H new ATOM 749 N PHE A 48 -1.450 -1.080 -1.035 1.00 11.43 N ATOM 750 CA PHE A 48 -0.475 -0.304 -0.240 1.00 14.20 C ATOM 751 C PHE A 48 0.187 0.780 -1.104 1.00 52.11 C ATOM 752 O PHE A 48 0.518 1.854 -0.609 1.00 64.40 O ATOM 753 CB PHE A 48 0.596 -1.239 0.387 1.00 0.41 C ATOM 754 CG PHE A 48 0.038 -2.243 1.401 1.00 74.25 C ATOM 755 CD1 PHE A 48 -0.979 -1.872 2.289 1.00 33.24 C ATOM 756 CD2 PHE A 48 0.534 -3.545 1.481 1.00 60.42 C ATOM 757 CE1 PHE A 48 -1.484 -2.769 3.213 1.00 63.20 C ATOM 758 CE2 PHE A 48 0.027 -4.444 2.409 1.00 73.31 C ATOM 759 CZ PHE A 48 -0.981 -4.056 3.273 1.00 35.24 C ATOM 0 H PHE A 48 -1.162 -2.040 -1.223 1.00 11.43 H new ATOM 0 HA PHE A 48 -1.012 0.187 0.572 1.00 14.20 H new ATOM 0 HB2 PHE A 48 1.096 -1.787 -0.412 1.00 0.41 H new ATOM 0 HB3 PHE A 48 1.354 -0.628 0.877 1.00 0.41 H new ATOM 0 HD1 PHE A 48 -1.376 -0.868 2.252 1.00 33.24 H new ATOM 0 HD2 PHE A 48 1.322 -3.857 0.812 1.00 60.42 H new ATOM 0 HE1 PHE A 48 -2.271 -2.465 3.887 1.00 63.20 H new ATOM 0 HE2 PHE A 48 0.420 -5.449 2.457 1.00 73.31 H new ATOM 0 HZ PHE A 48 -1.375 -4.757 3.994 1.00 35.24 H new ATOM 769 N PHE A 49 0.352 0.475 -2.399 1.00 35.24 N ATOM 770 CA PHE A 49 0.940 1.394 -3.386 1.00 72.42 C ATOM 771 C PHE A 49 -0.042 2.491 -3.789 1.00 21.35 C ATOM 772 O PHE A 49 0.306 3.666 -3.817 1.00 32.30 O ATOM 773 CB PHE A 49 1.373 0.618 -4.650 1.00 23.11 C ATOM 774 CG PHE A 49 1.919 1.514 -5.757 1.00 75.21 C ATOM 775 CD1 PHE A 49 3.035 2.312 -5.524 1.00 34.21 C ATOM 776 CD2 PHE A 49 1.323 1.565 -7.022 1.00 1.53 C ATOM 777 CE1 PHE A 49 3.535 3.128 -6.510 1.00 10.25 C ATOM 778 CE2 PHE A 49 1.833 2.386 -8.010 1.00 2.43 C ATOM 779 CZ PHE A 49 2.942 3.168 -7.750 1.00 2.14 C ATOM 0 H PHE A 49 0.079 -0.424 -2.795 1.00 35.24 H new ATOM 0 HA PHE A 49 1.808 1.859 -2.918 1.00 72.42 H new ATOM 0 HB2 PHE A 49 2.135 -0.112 -4.375 1.00 23.11 H new ATOM 0 HB3 PHE A 49 0.519 0.059 -5.034 1.00 23.11 H new ATOM 0 HD1 PHE A 49 3.514 2.290 -4.556 1.00 34.21 H new ATOM 0 HD2 PHE A 49 0.455 0.956 -7.229 1.00 1.53 H new ATOM 0 HE1 PHE A 49 4.400 3.743 -6.310 1.00 10.25 H new ATOM 0 HE2 PHE A 49 1.366 2.416 -8.983 1.00 2.43 H new ATOM 0 HZ PHE A 49 3.343 3.810 -8.520 1.00 2.14 H new ATOM 789 N ARG A 50 -1.258 2.074 -4.147 1.00 54.21 N ATOM 790 CA ARG A 50 -2.295 2.972 -4.663 1.00 21.24 C ATOM 791 C ARG A 50 -2.834 3.866 -3.536 1.00 51.31 C ATOM 792 O ARG A 50 -3.254 4.992 -3.791 1.00 22.42 O ATOM 793 CB ARG A 50 -3.404 2.146 -5.368 1.00 74.25 C ATOM 794 CG ARG A 50 -2.876 1.356 -6.598 1.00 5.30 C ATOM 795 CD ARG A 50 -3.895 0.372 -7.208 1.00 71.23 C ATOM 796 NE ARG A 50 -3.252 -0.492 -8.227 1.00 22.32 N ATOM 797 CZ ARG A 50 -3.345 -0.340 -9.559 1.00 13.11 C ATOM 798 NH1 ARG A 50 -4.071 0.640 -10.090 1.00 43.21 N ATOM 799 NH2 ARG A 50 -2.674 -1.160 -10.354 1.00 41.55 N ATOM 0 H ARG A 50 -1.553 1.099 -4.087 1.00 54.21 H new ATOM 0 HA ARG A 50 -1.870 3.640 -5.412 1.00 21.24 H new ATOM 0 HB2 ARG A 50 -3.841 1.448 -4.654 1.00 74.25 H new ATOM 0 HB3 ARG A 50 -4.202 2.816 -5.687 1.00 74.25 H new ATOM 0 HG2 ARG A 50 -2.570 2.066 -7.366 1.00 5.30 H new ATOM 0 HG3 ARG A 50 -1.985 0.801 -6.303 1.00 5.30 H new ATOM 0 HD2 ARG A 50 -4.326 -0.246 -6.420 1.00 71.23 H new ATOM 0 HD3 ARG A 50 -4.716 0.927 -7.662 1.00 71.23 H new ATOM 0 HE ARG A 50 -2.689 -1.271 -7.887 1.00 22.32 H new ATOM 0 HH11 ARG A 50 -4.569 1.292 -9.484 1.00 43.21 H new ATOM 0 HH12 ARG A 50 -4.130 0.740 -11.103 1.00 43.21 H new ATOM 0 HH21 ARG A 50 -2.094 -1.898 -9.954 1.00 41.55 H new ATOM 0 HH22 ARG A 50 -2.737 -1.054 -11.366 1.00 41.55 H new ATOM 813 N ALA A 51 -2.798 3.349 -2.287 1.00 34.12 N ATOM 814 CA ALA A 51 -3.039 4.162 -1.080 1.00 63.25 C ATOM 815 C ALA A 51 -1.870 5.143 -0.875 1.00 13.12 C ATOM 816 O ALA A 51 -2.097 6.307 -0.561 1.00 54.21 O ATOM 817 CB ALA A 51 -3.215 3.275 0.162 1.00 32.33 C ATOM 0 H ALA A 51 -2.603 2.367 -2.091 1.00 34.12 H new ATOM 0 HA ALA A 51 -3.962 4.724 -1.221 1.00 63.25 H new ATOM 0 HB1 ALA A 51 -3.391 3.903 1.035 1.00 32.33 H new ATOM 0 HB2 ALA A 51 -4.066 2.609 0.016 1.00 32.33 H new ATOM 0 HB3 ALA A 51 -2.313 2.683 0.317 1.00 32.33 H new ATOM 823 N ALA A 52 -0.617 4.652 -1.089 1.00 13.02 N ATOM 824 CA ALA A 52 0.618 5.478 -0.973 1.00 13.21 C ATOM 825 C ALA A 52 0.620 6.641 -1.976 1.00 53.11 C ATOM 826 O ALA A 52 1.180 7.697 -1.692 1.00 75.24 O ATOM 827 CB ALA A 52 1.888 4.625 -1.157 1.00 13.12 C ATOM 0 H ALA A 52 -0.436 3.681 -1.344 1.00 13.02 H new ATOM 0 HA ALA A 52 0.622 5.893 0.035 1.00 13.21 H new ATOM 0 HB1 ALA A 52 2.769 5.260 -1.066 1.00 13.12 H new ATOM 0 HB2 ALA A 52 1.919 3.849 -0.392 1.00 13.12 H new ATOM 0 HB3 ALA A 52 1.875 4.161 -2.143 1.00 13.12 H new ATOM 833 N ILE A 53 -0.010 6.423 -3.153 1.00 44.02 N ATOM 834 CA ILE A 53 -0.242 7.469 -4.167 1.00 11.42 C ATOM 835 C ILE A 53 -1.154 8.567 -3.581 1.00 15.12 C ATOM 836 O ILE A 53 -0.831 9.747 -3.660 1.00 64.15 O ATOM 837 CB ILE A 53 -0.888 6.860 -5.484 1.00 30.13 C ATOM 838 CG1 ILE A 53 0.120 5.928 -6.230 1.00 13.33 C ATOM 839 CG2 ILE A 53 -1.411 7.961 -6.446 1.00 52.21 C ATOM 840 CD1 ILE A 53 -0.478 5.146 -7.391 1.00 31.41 C ATOM 0 H ILE A 53 -0.373 5.509 -3.425 1.00 44.02 H new ATOM 0 HA ILE A 53 0.719 7.905 -4.439 1.00 11.42 H new ATOM 0 HB ILE A 53 -1.744 6.266 -5.163 1.00 30.13 H new ATOM 0 HG12 ILE A 53 0.945 6.534 -6.604 1.00 13.33 H new ATOM 0 HG13 ILE A 53 0.541 5.223 -5.513 1.00 13.33 H new ATOM 0 HG21 ILE A 53 -1.843 7.495 -7.331 1.00 52.21 H new ATOM 0 HG22 ILE A 53 -2.172 8.555 -5.940 1.00 52.21 H new ATOM 0 HG23 ILE A 53 -0.585 8.607 -6.743 1.00 52.21 H new ATOM 0 HD11 ILE A 53 0.294 4.527 -7.849 1.00 31.41 H new ATOM 0 HD12 ILE A 53 -1.284 4.510 -7.025 1.00 31.41 H new ATOM 0 HD13 ILE A 53 -0.873 5.841 -8.132 1.00 31.41 H new ATOM 852 N VAL A 54 -2.277 8.145 -2.961 1.00 32.24 N ATOM 853 CA VAL A 54 -3.271 9.067 -2.361 1.00 63.23 C ATOM 854 C VAL A 54 -2.621 9.923 -1.247 1.00 44.41 C ATOM 855 O VAL A 54 -2.832 11.145 -1.175 1.00 53.21 O ATOM 856 CB VAL A 54 -4.506 8.276 -1.782 1.00 14.03 C ATOM 857 CG1 VAL A 54 -5.574 9.230 -1.204 1.00 2.33 C ATOM 858 CG2 VAL A 54 -5.121 7.348 -2.853 1.00 43.33 C ATOM 0 H VAL A 54 -2.521 7.160 -2.861 1.00 32.24 H new ATOM 0 HA VAL A 54 -3.627 9.728 -3.151 1.00 63.23 H new ATOM 0 HB VAL A 54 -4.140 7.657 -0.963 1.00 14.03 H new ATOM 0 HG11 VAL A 54 -6.409 8.648 -0.815 1.00 2.33 H new ATOM 0 HG12 VAL A 54 -5.137 9.821 -0.399 1.00 2.33 H new ATOM 0 HG13 VAL A 54 -5.931 9.896 -1.990 1.00 2.33 H new ATOM 0 HG21 VAL A 54 -5.971 6.814 -2.427 1.00 43.33 H new ATOM 0 HG22 VAL A 54 -5.455 7.944 -3.702 1.00 43.33 H new ATOM 0 HG23 VAL A 54 -4.372 6.630 -3.186 1.00 43.33 H new ATOM 868 N PHE A 55 -1.791 9.256 -0.415 1.00 72.50 N ATOM 869 CA PHE A 55 -1.070 9.893 0.702 1.00 22.35 C ATOM 870 C PHE A 55 -0.001 10.866 0.177 1.00 2.42 C ATOM 871 O PHE A 55 0.153 11.964 0.700 1.00 72.32 O ATOM 872 CB PHE A 55 -0.415 8.818 1.614 1.00 25.44 C ATOM 873 CG PHE A 55 -1.392 7.787 2.205 1.00 43.33 C ATOM 874 CD1 PHE A 55 -2.680 8.151 2.604 1.00 14.24 C ATOM 875 CD2 PHE A 55 -1.014 6.451 2.367 1.00 31.44 C ATOM 876 CE1 PHE A 55 -3.550 7.217 3.137 1.00 34.33 C ATOM 877 CE2 PHE A 55 -1.888 5.520 2.902 1.00 73.21 C ATOM 878 CZ PHE A 55 -3.153 5.903 3.285 1.00 23.15 C ATOM 0 H PHE A 55 -1.604 8.257 -0.502 1.00 72.50 H new ATOM 0 HA PHE A 55 -1.792 10.458 1.292 1.00 22.35 H new ATOM 0 HB2 PHE A 55 0.345 8.289 1.039 1.00 25.44 H new ATOM 0 HB3 PHE A 55 0.098 9.321 2.433 1.00 25.44 H new ATOM 0 HD1 PHE A 55 -3.001 9.176 2.495 1.00 14.24 H new ATOM 0 HD2 PHE A 55 -0.023 6.140 2.070 1.00 31.44 H new ATOM 0 HE1 PHE A 55 -4.543 7.517 3.438 1.00 34.33 H new ATOM 0 HE2 PHE A 55 -1.577 4.492 3.019 1.00 73.21 H new ATOM 0 HZ PHE A 55 -3.835 5.176 3.701 1.00 23.15 H new ATOM 888 N TYR A 56 0.712 10.443 -0.878 1.00 23.54 N ATOM 889 CA TYR A 56 1.807 11.223 -1.493 1.00 71.32 C ATOM 890 C TYR A 56 1.287 12.521 -2.148 1.00 61.04 C ATOM 891 O TYR A 56 1.879 13.596 -1.971 1.00 34.34 O ATOM 892 CB TYR A 56 2.543 10.345 -2.539 1.00 53.53 C ATOM 893 CG TYR A 56 3.579 11.087 -3.371 1.00 1.23 C ATOM 894 CD1 TYR A 56 4.628 11.774 -2.759 1.00 71.42 C ATOM 895 CD2 TYR A 56 3.499 11.131 -4.766 1.00 52.03 C ATOM 896 CE1 TYR A 56 5.553 12.467 -3.504 1.00 44.15 C ATOM 897 CE2 TYR A 56 4.423 11.825 -5.511 1.00 42.03 C ATOM 898 CZ TYR A 56 5.446 12.491 -4.879 1.00 25.32 C ATOM 899 OH TYR A 56 6.364 13.189 -5.629 1.00 62.55 O ATOM 0 H TYR A 56 0.547 9.546 -1.334 1.00 23.54 H new ATOM 0 HA TYR A 56 2.502 11.515 -0.706 1.00 71.32 H new ATOM 0 HB2 TYR A 56 3.034 9.521 -2.021 1.00 53.53 H new ATOM 0 HB3 TYR A 56 1.805 9.905 -3.209 1.00 53.53 H new ATOM 0 HD1 TYR A 56 4.715 11.761 -1.683 1.00 71.42 H new ATOM 0 HD2 TYR A 56 2.697 10.610 -5.268 1.00 52.03 H new ATOM 0 HE1 TYR A 56 6.361 12.991 -3.014 1.00 44.15 H new ATOM 0 HE2 TYR A 56 4.345 11.847 -6.588 1.00 42.03 H new ATOM 0 HH TYR A 56 6.144 13.102 -6.580 1.00 62.55 H new ATOM 909 N LYS A 57 0.205 12.387 -2.928 1.00 30.15 N ATOM 910 CA LYS A 57 -0.511 13.531 -3.536 1.00 13.23 C ATOM 911 C LYS A 57 -0.937 14.543 -2.467 1.00 4.01 C ATOM 912 O LYS A 57 -0.902 15.756 -2.695 1.00 31.33 O ATOM 913 CB LYS A 57 -1.765 13.042 -4.341 1.00 63.33 C ATOM 914 CG LYS A 57 -1.519 12.769 -5.839 1.00 13.44 C ATOM 915 CD LYS A 57 -0.445 11.692 -6.099 1.00 53.42 C ATOM 916 CE LYS A 57 -0.143 11.508 -7.593 1.00 3.34 C ATOM 917 NZ LYS A 57 0.402 12.750 -8.208 1.00 54.13 N ATOM 0 H LYS A 57 -0.204 11.482 -3.159 1.00 30.15 H new ATOM 0 HA LYS A 57 0.176 14.022 -4.225 1.00 13.23 H new ATOM 0 HB2 LYS A 57 -2.140 12.129 -3.879 1.00 63.33 H new ATOM 0 HB3 LYS A 57 -2.551 13.792 -4.249 1.00 63.33 H new ATOM 0 HG2 LYS A 57 -2.455 12.457 -6.302 1.00 13.44 H new ATOM 0 HG3 LYS A 57 -1.217 13.697 -6.325 1.00 13.44 H new ATOM 0 HD2 LYS A 57 0.472 11.966 -5.578 1.00 53.42 H new ATOM 0 HD3 LYS A 57 -0.779 10.743 -5.680 1.00 53.42 H new ATOM 0 HE2 LYS A 57 0.572 10.696 -7.721 1.00 3.34 H new ATOM 0 HE3 LYS A 57 -1.055 11.215 -8.114 1.00 3.34 H new ATOM 0 HZ1 LYS A 57 0.780 12.533 -9.152 1.00 54.13 H new ATOM 0 HZ2 LYS A 57 -0.356 13.457 -8.293 1.00 54.13 H new ATOM 0 HZ3 LYS A 57 1.163 13.129 -7.609 1.00 54.13 H new ATOM 931 N GLU A 58 -1.341 14.022 -1.298 1.00 64.44 N ATOM 932 CA GLU A 58 -1.816 14.847 -0.184 1.00 42.12 C ATOM 933 C GLU A 58 -0.645 15.302 0.725 1.00 42.13 C ATOM 934 O GLU A 58 -0.814 16.188 1.571 1.00 24.30 O ATOM 935 CB GLU A 58 -2.890 14.057 0.596 1.00 3.45 C ATOM 936 CG GLU A 58 -3.729 14.904 1.557 1.00 1.22 C ATOM 937 CD GLU A 58 -4.534 16.010 0.848 1.00 60.23 C ATOM 938 OE1 GLU A 58 -5.442 15.686 0.054 1.00 72.42 O ATOM 939 OE2 GLU A 58 -4.266 17.205 1.076 1.00 61.22 O ATOM 0 H GLU A 58 -1.347 13.021 -1.102 1.00 64.44 H new ATOM 0 HA GLU A 58 -2.266 15.761 -0.571 1.00 42.12 H new ATOM 0 HB2 GLU A 58 -3.556 13.573 -0.118 1.00 3.45 H new ATOM 0 HB3 GLU A 58 -2.400 13.265 1.163 1.00 3.45 H new ATOM 0 HG2 GLU A 58 -4.416 14.254 2.098 1.00 1.22 H new ATOM 0 HG3 GLU A 58 -3.072 15.360 2.297 1.00 1.22 H new ATOM 946 N HIS A 59 0.537 14.702 0.490 1.00 34.32 N ATOM 947 CA HIS A 59 1.811 15.019 1.177 1.00 5.21 C ATOM 948 C HIS A 59 1.832 14.578 2.650 1.00 22.24 C ATOM 949 O HIS A 59 2.433 15.232 3.507 1.00 75.52 O ATOM 950 CB HIS A 59 2.199 16.511 1.006 1.00 42.04 C ATOM 951 CG HIS A 59 2.537 16.866 -0.409 1.00 71.02 C ATOM 952 ND1 HIS A 59 3.762 16.589 -0.976 1.00 53.41 N ATOM 953 CD2 HIS A 59 1.797 17.435 -1.386 1.00 41.34 C ATOM 954 CE1 HIS A 59 3.761 16.976 -2.230 1.00 4.52 C ATOM 955 NE2 HIS A 59 2.580 17.490 -2.506 1.00 41.31 N ATOM 0 H HIS A 59 0.639 13.961 -0.203 1.00 34.32 H new ATOM 0 HA HIS A 59 2.579 14.425 0.682 1.00 5.21 H new ATOM 0 HB2 HIS A 59 1.374 17.137 1.345 1.00 42.04 H new ATOM 0 HB3 HIS A 59 3.053 16.735 1.645 1.00 42.04 H new ATOM 0 HD1 HIS A 59 4.548 16.151 -0.495 1.00 53.41 H new ATOM 0 HD2 HIS A 59 0.778 17.782 -1.299 1.00 41.34 H new ATOM 0 HE1 HIS A 59 4.588 16.888 -2.919 1.00 4.52 H new ATOM 964 N ASP A 60 1.222 13.424 2.917 1.00 52.13 N ATOM 965 CA ASP A 60 1.326 12.716 4.198 1.00 15.24 C ATOM 966 C ASP A 60 2.644 11.943 4.235 1.00 50.12 C ATOM 967 O ASP A 60 2.757 10.918 3.565 1.00 4.02 O ATOM 968 CB ASP A 60 0.151 11.719 4.381 1.00 34.12 C ATOM 969 CG ASP A 60 -1.195 12.409 4.562 1.00 2.32 C ATOM 970 OD1 ASP A 60 -1.753 12.899 3.568 1.00 21.51 O ATOM 971 OD2 ASP A 60 -1.690 12.484 5.707 1.00 41.01 O ATOM 0 H ASP A 60 0.630 12.944 2.239 1.00 52.13 H new ATOM 0 HA ASP A 60 1.288 13.450 5.003 1.00 15.24 H new ATOM 0 HB2 ASP A 60 0.102 11.061 3.513 1.00 34.12 H new ATOM 0 HB3 ASP A 60 0.349 11.088 5.248 1.00 34.12 H new ATOM 976 N THR A 61 3.647 12.452 4.970 1.00 52.51 N ATOM 977 CA THR A 61 4.912 11.734 5.198 1.00 31.33 C ATOM 978 C THR A 61 4.677 10.419 5.961 1.00 62.31 C ATOM 979 O THR A 61 5.161 9.377 5.544 1.00 74.04 O ATOM 980 CB THR A 61 5.963 12.611 5.970 1.00 64.02 C ATOM 981 OG1 THR A 61 5.313 13.396 6.983 1.00 52.41 O ATOM 982 CG2 THR A 61 6.762 13.523 5.030 1.00 21.12 C ATOM 0 H THR A 61 3.605 13.366 5.420 1.00 52.51 H new ATOM 0 HA THR A 61 5.318 11.508 4.212 1.00 31.33 H new ATOM 0 HB THR A 61 6.669 11.926 6.439 1.00 64.02 H new ATOM 0 HG1 THR A 61 5.980 13.936 7.457 1.00 52.41 H new ATOM 0 HG21 THR A 61 7.475 14.109 5.610 1.00 21.12 H new ATOM 0 HG22 THR A 61 7.299 12.915 4.303 1.00 21.12 H new ATOM 0 HG23 THR A 61 6.080 14.195 4.508 1.00 21.12 H new ATOM 990 N ASP A 62 3.906 10.503 7.059 1.00 3.31 N ATOM 991 CA ASP A 62 3.612 9.348 7.937 1.00 54.54 C ATOM 992 C ASP A 62 2.691 8.331 7.235 1.00 42.15 C ATOM 993 O ASP A 62 2.849 7.122 7.421 1.00 13.05 O ATOM 994 CB ASP A 62 2.971 9.819 9.267 1.00 73.31 C ATOM 995 CG ASP A 62 2.720 8.655 10.248 1.00 24.32 C ATOM 996 OD1 ASP A 62 3.702 8.012 10.675 1.00 33.21 O ATOM 997 OD2 ASP A 62 1.551 8.371 10.598 1.00 21.00 O ATOM 0 H ASP A 62 3.468 11.371 7.366 1.00 3.31 H new ATOM 0 HA ASP A 62 4.558 8.854 8.159 1.00 54.54 H new ATOM 0 HB2 ASP A 62 3.622 10.554 9.740 1.00 73.31 H new ATOM 0 HB3 ASP A 62 2.027 10.320 9.054 1.00 73.31 H new ATOM 1002 N GLY A 63 1.730 8.843 6.432 1.00 52.10 N ATOM 1003 CA GLY A 63 0.834 7.991 5.639 1.00 34.54 C ATOM 1004 C GLY A 63 1.579 7.216 4.564 1.00 34.22 C ATOM 1005 O GLY A 63 1.446 5.993 4.457 1.00 73.21 O ATOM 0 H GLY A 63 1.561 9.843 6.321 1.00 52.10 H new ATOM 0 HA2 GLY A 63 0.322 7.291 6.300 1.00 34.54 H new ATOM 0 HA3 GLY A 63 0.067 8.609 5.173 1.00 34.54 H new ATOM 1009 N LEU A 64 2.381 7.958 3.783 1.00 74.43 N ATOM 1010 CA LEU A 64 3.246 7.413 2.716 1.00 4.32 C ATOM 1011 C LEU A 64 4.266 6.414 3.296 1.00 11.21 C ATOM 1012 O LEU A 64 4.520 5.368 2.708 1.00 4.25 O ATOM 1013 CB LEU A 64 3.967 8.589 2.011 1.00 12.04 C ATOM 1014 CG LEU A 64 4.985 8.243 0.880 1.00 13.31 C ATOM 1015 CD1 LEU A 64 4.326 7.489 -0.291 1.00 41.22 C ATOM 1016 CD2 LEU A 64 5.686 9.521 0.385 1.00 24.15 C ATOM 0 H LEU A 64 2.450 8.972 3.875 1.00 74.43 H new ATOM 0 HA LEU A 64 2.636 6.873 1.992 1.00 4.32 H new ATOM 0 HB2 LEU A 64 3.205 9.244 1.588 1.00 12.04 H new ATOM 0 HB3 LEU A 64 4.494 9.164 2.772 1.00 12.04 H new ATOM 0 HG LEU A 64 5.731 7.572 1.306 1.00 13.31 H new ATOM 0 HD11 LEU A 64 5.076 7.271 -1.052 1.00 41.22 H new ATOM 0 HD12 LEU A 64 3.897 6.556 0.073 1.00 41.22 H new ATOM 0 HD13 LEU A 64 3.539 8.106 -0.724 1.00 41.22 H new ATOM 0 HD21 LEU A 64 6.394 9.266 -0.404 1.00 24.15 H new ATOM 0 HD22 LEU A 64 4.942 10.216 -0.005 1.00 24.15 H new ATOM 0 HD23 LEU A 64 6.219 9.988 1.213 1.00 24.15 H new ATOM 1028 N ARG A 65 4.805 6.759 4.475 1.00 41.12 N ATOM 1029 CA ARG A 65 5.759 5.926 5.237 1.00 4.33 C ATOM 1030 C ARG A 65 5.121 4.597 5.644 1.00 23.23 C ATOM 1031 O ARG A 65 5.730 3.540 5.494 1.00 44.55 O ATOM 1032 CB ARG A 65 6.214 6.700 6.507 1.00 11.31 C ATOM 1033 CG ARG A 65 6.968 5.882 7.582 1.00 50.33 C ATOM 1034 CD ARG A 65 7.145 6.663 8.900 1.00 4.31 C ATOM 1035 NE ARG A 65 7.572 5.781 10.007 1.00 23.31 N ATOM 1036 CZ ARG A 65 6.926 5.619 11.177 1.00 5.00 C ATOM 1037 NH1 ARG A 65 5.808 6.285 11.436 1.00 55.23 N ATOM 1038 NH2 ARG A 65 7.404 4.776 12.080 1.00 61.25 N ATOM 0 H ARG A 65 4.588 7.642 4.938 1.00 41.12 H new ATOM 0 HA ARG A 65 6.619 5.711 4.603 1.00 4.33 H new ATOM 0 HB2 ARG A 65 6.856 7.523 6.193 1.00 11.31 H new ATOM 0 HB3 ARG A 65 5.332 7.142 6.971 1.00 11.31 H new ATOM 0 HG2 ARG A 65 6.423 4.959 7.780 1.00 50.33 H new ATOM 0 HG3 ARG A 65 7.947 5.598 7.197 1.00 50.33 H new ATOM 0 HD2 ARG A 65 7.883 7.452 8.759 1.00 4.31 H new ATOM 0 HD3 ARG A 65 6.206 7.149 9.164 1.00 4.31 H new ATOM 0 HE ARG A 65 8.431 5.248 9.872 1.00 23.31 H new ATOM 0 HH11 ARG A 65 5.427 6.930 10.744 1.00 55.23 H new ATOM 0 HH12 ARG A 65 5.330 6.152 12.327 1.00 55.23 H new ATOM 0 HH21 ARG A 65 8.258 4.253 11.888 1.00 61.25 H new ATOM 0 HH22 ARG A 65 6.918 4.650 12.968 1.00 61.25 H new ATOM 1052 N ARG A 66 3.885 4.674 6.163 1.00 25.11 N ATOM 1053 CA ARG A 66 3.153 3.503 6.677 1.00 12.15 C ATOM 1054 C ARG A 66 2.800 2.553 5.519 1.00 21.41 C ATOM 1055 O ARG A 66 2.975 1.340 5.626 1.00 44.13 O ATOM 1056 CB ARG A 66 1.862 3.958 7.461 1.00 2.43 C ATOM 1057 CG ARG A 66 1.776 3.441 8.919 1.00 45.42 C ATOM 1058 CD ARG A 66 1.721 1.905 9.006 1.00 33.32 C ATOM 1059 NE ARG A 66 1.782 1.420 10.396 1.00 20.02 N ATOM 1060 CZ ARG A 66 1.404 0.197 10.797 1.00 54.35 C ATOM 1061 NH1 ARG A 66 0.930 -0.692 9.927 1.00 31.52 N ATOM 1062 NH2 ARG A 66 1.510 -0.130 12.072 1.00 13.04 N ATOM 0 H ARG A 66 3.365 5.548 6.238 1.00 25.11 H new ATOM 0 HA ARG A 66 3.791 2.964 7.377 1.00 12.15 H new ATOM 0 HB2 ARG A 66 1.826 5.047 7.473 1.00 2.43 H new ATOM 0 HB3 ARG A 66 0.982 3.616 6.916 1.00 2.43 H new ATOM 0 HG2 ARG A 66 2.639 3.801 9.479 1.00 45.42 H new ATOM 0 HG3 ARG A 66 0.890 3.859 9.396 1.00 45.42 H new ATOM 0 HD2 ARG A 66 0.802 1.550 8.540 1.00 33.32 H new ATOM 0 HD3 ARG A 66 2.550 1.481 8.439 1.00 33.32 H new ATOM 0 HE ARG A 66 2.138 2.061 11.105 1.00 20.02 H new ATOM 0 HH11 ARG A 66 0.850 -0.447 8.940 1.00 31.52 H new ATOM 0 HH12 ARG A 66 0.647 -1.618 10.247 1.00 31.52 H new ATOM 0 HH21 ARG A 66 1.877 0.545 12.743 1.00 13.04 H new ATOM 0 HH22 ARG A 66 1.225 -1.058 12.386 1.00 13.04 H new ATOM 1076 N ALA A 67 2.336 3.142 4.406 1.00 71.50 N ATOM 1077 CA ALA A 67 1.932 2.406 3.203 1.00 50.34 C ATOM 1078 C ALA A 67 3.149 1.793 2.484 1.00 34.13 C ATOM 1079 O ALA A 67 3.061 0.681 1.967 1.00 22.21 O ATOM 1080 CB ALA A 67 1.148 3.335 2.271 1.00 4.20 C ATOM 0 H ALA A 67 2.231 4.153 4.317 1.00 71.50 H new ATOM 0 HA ALA A 67 1.287 1.579 3.500 1.00 50.34 H new ATOM 0 HB1 ALA A 67 0.849 2.786 1.378 1.00 4.20 H new ATOM 0 HB2 ALA A 67 0.260 3.702 2.786 1.00 4.20 H new ATOM 0 HB3 ALA A 67 1.776 4.178 1.985 1.00 4.20 H new ATOM 1086 N ALA A 68 4.287 2.525 2.494 1.00 35.33 N ATOM 1087 CA ALA A 68 5.548 2.093 1.847 1.00 64.35 C ATOM 1088 C ALA A 68 6.224 0.967 2.644 1.00 43.54 C ATOM 1089 O ALA A 68 6.794 0.042 2.064 1.00 44.20 O ATOM 1090 CB ALA A 68 6.527 3.270 1.704 1.00 20.25 C ATOM 0 H ALA A 68 4.357 3.434 2.952 1.00 35.33 H new ATOM 0 HA ALA A 68 5.289 1.721 0.856 1.00 64.35 H new ATOM 0 HB1 ALA A 68 7.444 2.925 1.226 1.00 20.25 H new ATOM 0 HB2 ALA A 68 6.071 4.050 1.094 1.00 20.25 H new ATOM 0 HB3 ALA A 68 6.761 3.671 2.690 1.00 20.25 H new ATOM 1096 N LYS A 69 6.153 1.074 3.977 1.00 31.45 N ATOM 1097 CA LYS A 69 6.767 0.100 4.899 1.00 1.14 C ATOM 1098 C LYS A 69 5.982 -1.223 4.869 1.00 52.42 C ATOM 1099 O LYS A 69 6.574 -2.304 4.844 1.00 34.21 O ATOM 1100 CB LYS A 69 6.839 0.696 6.328 1.00 73.02 C ATOM 1101 CG LYS A 69 7.770 -0.085 7.280 1.00 65.04 C ATOM 1102 CD LYS A 69 8.256 0.766 8.473 1.00 22.21 C ATOM 1103 CE LYS A 69 9.329 0.047 9.294 1.00 21.21 C ATOM 1104 NZ LYS A 69 9.976 0.961 10.276 1.00 32.40 N ATOM 0 H LYS A 69 5.669 1.837 4.450 1.00 31.45 H new ATOM 0 HA LYS A 69 7.786 -0.114 4.578 1.00 1.14 H new ATOM 0 HB2 LYS A 69 7.182 1.729 6.265 1.00 73.02 H new ATOM 0 HB3 LYS A 69 5.836 0.719 6.753 1.00 73.02 H new ATOM 0 HG2 LYS A 69 7.244 -0.963 7.656 1.00 65.04 H new ATOM 0 HG3 LYS A 69 8.634 -0.446 6.721 1.00 65.04 H new ATOM 0 HD2 LYS A 69 8.655 1.711 8.105 1.00 22.21 H new ATOM 0 HD3 LYS A 69 7.409 1.006 9.115 1.00 22.21 H new ATOM 0 HE2 LYS A 69 8.880 -0.795 9.821 1.00 21.21 H new ATOM 0 HE3 LYS A 69 10.086 -0.363 8.625 1.00 21.21 H new ATOM 0 HZ1 LYS A 69 10.697 0.439 10.814 1.00 32.40 H new ATOM 0 HZ2 LYS A 69 10.426 1.751 9.771 1.00 32.40 H new ATOM 0 HZ3 LYS A 69 9.258 1.332 10.930 1.00 32.40 H new ATOM 1118 N SER A 70 4.643 -1.108 4.826 1.00 10.34 N ATOM 1119 CA SER A 70 3.727 -2.255 4.669 1.00 41.22 C ATOM 1120 C SER A 70 3.848 -2.875 3.264 1.00 23.43 C ATOM 1121 O SER A 70 3.637 -4.079 3.083 1.00 13.20 O ATOM 1122 CB SER A 70 2.284 -1.801 4.931 1.00 62.32 C ATOM 1123 OG SER A 70 2.177 -1.226 6.222 1.00 70.11 O ATOM 0 H SER A 70 4.162 -0.212 4.900 1.00 10.34 H new ATOM 0 HA SER A 70 4.002 -3.021 5.394 1.00 41.22 H new ATOM 0 HB2 SER A 70 1.981 -1.076 4.176 1.00 62.32 H new ATOM 0 HB3 SER A 70 1.607 -2.651 4.847 1.00 62.32 H new ATOM 0 HG SER A 70 2.436 -0.282 6.182 1.00 70.11 H new ATOM 1129 N LEU A 71 4.185 -2.017 2.281 1.00 61.23 N ATOM 1130 CA LEU A 71 4.451 -2.429 0.892 1.00 24.34 C ATOM 1131 C LEU A 71 5.664 -3.379 0.879 1.00 2.13 C ATOM 1132 O LEU A 71 5.621 -4.420 0.248 1.00 51.02 O ATOM 1133 CB LEU A 71 4.685 -1.171 -0.015 1.00 0.24 C ATOM 1134 CG LEU A 71 3.990 -1.169 -1.416 1.00 23.34 C ATOM 1135 CD1 LEU A 71 4.149 0.202 -2.088 1.00 71.14 C ATOM 1136 CD2 LEU A 71 4.510 -2.296 -2.327 1.00 71.50 C ATOM 0 H LEU A 71 4.280 -1.013 2.431 1.00 61.23 H new ATOM 0 HA LEU A 71 3.590 -2.959 0.486 1.00 24.34 H new ATOM 0 HB2 LEU A 71 4.347 -0.291 0.532 1.00 0.24 H new ATOM 0 HB3 LEU A 71 5.758 -1.059 -0.169 1.00 0.24 H new ATOM 0 HG LEU A 71 2.929 -1.360 -1.256 1.00 23.34 H new ATOM 0 HD11 LEU A 71 3.660 0.189 -3.062 1.00 71.14 H new ATOM 0 HD12 LEU A 71 3.691 0.969 -1.463 1.00 71.14 H new ATOM 0 HD13 LEU A 71 5.208 0.424 -2.217 1.00 71.14 H new ATOM 0 HD21 LEU A 71 3.997 -2.253 -3.288 1.00 71.50 H new ATOM 0 HD22 LEU A 71 5.582 -2.173 -2.482 1.00 71.50 H new ATOM 0 HD23 LEU A 71 4.319 -3.261 -1.857 1.00 71.50 H new ATOM 1148 N LYS A 72 6.720 -3.011 1.648 1.00 55.12 N ATOM 1149 CA LYS A 72 7.956 -3.818 1.791 1.00 5.21 C ATOM 1150 C LYS A 72 7.675 -5.163 2.507 1.00 63.33 C ATOM 1151 O LYS A 72 8.242 -6.205 2.136 1.00 4.41 O ATOM 1152 CB LYS A 72 9.039 -3.015 2.563 1.00 4.12 C ATOM 1153 CG LYS A 72 9.520 -1.724 1.867 1.00 75.45 C ATOM 1154 CD LYS A 72 10.288 -1.993 0.553 1.00 51.15 C ATOM 1155 CE LYS A 72 10.801 -0.701 -0.111 1.00 21.21 C ATOM 1156 NZ LYS A 72 11.560 -0.992 -1.362 1.00 0.35 N ATOM 0 H LYS A 72 6.737 -2.145 2.187 1.00 55.12 H new ATOM 0 HA LYS A 72 8.325 -4.042 0.790 1.00 5.21 H new ATOM 0 HB2 LYS A 72 8.644 -2.754 3.545 1.00 4.12 H new ATOM 0 HB3 LYS A 72 9.900 -3.663 2.728 1.00 4.12 H new ATOM 0 HG2 LYS A 72 8.659 -1.091 1.654 1.00 75.45 H new ATOM 0 HG3 LYS A 72 10.163 -1.169 2.549 1.00 75.45 H new ATOM 0 HD2 LYS A 72 11.132 -2.651 0.759 1.00 51.15 H new ATOM 0 HD3 LYS A 72 9.635 -2.520 -0.143 1.00 51.15 H new ATOM 0 HE2 LYS A 72 9.958 -0.049 -0.339 1.00 21.21 H new ATOM 0 HE3 LYS A 72 11.441 -0.162 0.587 1.00 21.21 H new ATOM 0 HZ1 LYS A 72 11.891 -0.100 -1.783 1.00 0.35 H new ATOM 0 HZ2 LYS A 72 12.378 -1.594 -1.140 1.00 0.35 H new ATOM 0 HZ3 LYS A 72 10.941 -1.485 -2.037 1.00 0.35 H new ATOM 1170 N GLU A 73 6.787 -5.121 3.529 1.00 73.02 N ATOM 1171 CA GLU A 73 6.317 -6.333 4.245 1.00 24.12 C ATOM 1172 C GLU A 73 5.577 -7.279 3.286 1.00 65.35 C ATOM 1173 O GLU A 73 5.616 -8.503 3.449 1.00 51.22 O ATOM 1174 CB GLU A 73 5.395 -5.949 5.435 1.00 3.11 C ATOM 1175 CG GLU A 73 6.046 -5.034 6.496 1.00 52.13 C ATOM 1176 CD GLU A 73 7.288 -5.648 7.168 1.00 34.13 C ATOM 1177 OE1 GLU A 73 7.149 -6.338 8.199 1.00 42.11 O ATOM 1178 OE2 GLU A 73 8.415 -5.432 6.674 1.00 1.42 O ATOM 0 H GLU A 73 6.379 -4.254 3.879 1.00 73.02 H new ATOM 0 HA GLU A 73 7.192 -6.850 4.638 1.00 24.12 H new ATOM 0 HB2 GLU A 73 4.508 -5.451 5.042 1.00 3.11 H new ATOM 0 HB3 GLU A 73 5.057 -6.863 5.923 1.00 3.11 H new ATOM 0 HG2 GLU A 73 6.327 -4.091 6.026 1.00 52.13 H new ATOM 0 HG3 GLU A 73 5.308 -4.800 7.263 1.00 52.13 H new ATOM 1185 N ALA A 74 4.911 -6.688 2.284 1.00 51.10 N ATOM 1186 CA ALA A 74 4.259 -7.435 1.216 1.00 74.05 C ATOM 1187 C ALA A 74 5.311 -8.043 0.259 1.00 71.32 C ATOM 1188 O ALA A 74 5.210 -9.218 -0.071 1.00 31.43 O ATOM 1189 CB ALA A 74 3.256 -6.540 0.474 1.00 35.51 C ATOM 0 H ALA A 74 4.813 -5.676 2.197 1.00 51.10 H new ATOM 0 HA ALA A 74 3.700 -8.263 1.651 1.00 74.05 H new ATOM 0 HB1 ALA A 74 2.777 -7.112 -0.321 1.00 35.51 H new ATOM 0 HB2 ALA A 74 2.499 -6.185 1.173 1.00 35.51 H new ATOM 0 HB3 ALA A 74 3.780 -5.687 0.042 1.00 35.51 H new ATOM 1195 N ILE A 75 6.361 -7.256 -0.117 1.00 55.11 N ATOM 1196 CA ILE A 75 7.389 -7.677 -1.125 1.00 22.02 C ATOM 1197 C ILE A 75 8.122 -8.952 -0.675 1.00 30.44 C ATOM 1198 O ILE A 75 8.298 -9.893 -1.459 1.00 4.23 O ATOM 1199 CB ILE A 75 8.469 -6.558 -1.424 1.00 32.20 C ATOM 1200 CG1 ILE A 75 7.802 -5.200 -1.763 1.00 51.14 C ATOM 1201 CG2 ILE A 75 9.427 -6.975 -2.573 1.00 31.23 C ATOM 1202 CD1 ILE A 75 6.795 -5.235 -2.896 1.00 22.21 C ATOM 0 H ILE A 75 6.520 -6.323 0.263 1.00 55.11 H new ATOM 0 HA ILE A 75 6.830 -7.864 -2.042 1.00 22.02 H new ATOM 0 HB ILE A 75 9.055 -6.441 -0.513 1.00 32.20 H new ATOM 0 HG12 ILE A 75 7.304 -4.826 -0.868 1.00 51.14 H new ATOM 0 HG13 ILE A 75 8.584 -4.484 -2.016 1.00 51.14 H new ATOM 0 HG21 ILE A 75 10.153 -6.181 -2.748 1.00 31.23 H new ATOM 0 HG22 ILE A 75 9.950 -7.890 -2.296 1.00 31.23 H new ATOM 0 HG23 ILE A 75 8.851 -7.147 -3.482 1.00 31.23 H new ATOM 0 HD11 ILE A 75 6.388 -4.236 -3.052 1.00 22.21 H new ATOM 0 HD12 ILE A 75 7.286 -5.574 -3.809 1.00 22.21 H new ATOM 0 HD13 ILE A 75 5.986 -5.921 -2.643 1.00 22.21 H new ATOM 1214 N THR A 76 8.499 -8.981 0.608 1.00 73.10 N ATOM 1215 CA THR A 76 9.222 -10.113 1.213 1.00 32.13 C ATOM 1216 C THR A 76 8.342 -11.387 1.305 1.00 24.53 C ATOM 1217 O THR A 76 8.856 -12.485 1.532 1.00 55.22 O ATOM 1218 CB THR A 76 9.768 -9.706 2.618 1.00 5.31 C ATOM 1219 OG1 THR A 76 8.712 -9.100 3.383 1.00 34.21 O ATOM 1220 CG2 THR A 76 10.939 -8.717 2.508 1.00 43.35 C ATOM 0 H THR A 76 8.312 -8.220 1.261 1.00 73.10 H new ATOM 0 HA THR A 76 10.062 -10.359 0.563 1.00 32.13 H new ATOM 0 HB THR A 76 10.129 -10.608 3.111 1.00 5.31 H new ATOM 0 HG1 THR A 76 9.052 -8.845 4.266 1.00 34.21 H new ATOM 0 HG21 THR A 76 11.291 -8.458 3.506 1.00 43.35 H new ATOM 0 HG22 THR A 76 11.751 -9.176 1.944 1.00 43.35 H new ATOM 0 HG23 THR A 76 10.606 -7.815 1.995 1.00 43.35 H new ATOM 1228 N ALA A 77 7.018 -11.222 1.121 1.00 11.11 N ATOM 1229 CA ALA A 77 6.045 -12.340 1.058 1.00 71.51 C ATOM 1230 C ALA A 77 5.570 -12.619 -0.392 1.00 24.12 C ATOM 1231 O ALA A 77 4.915 -13.636 -0.639 1.00 13.35 O ATOM 1232 CB ALA A 77 4.853 -12.038 1.979 1.00 63.44 C ATOM 0 H ALA A 77 6.586 -10.304 1.011 1.00 11.11 H new ATOM 0 HA ALA A 77 6.546 -13.245 1.402 1.00 71.51 H new ATOM 0 HB1 ALA A 77 4.139 -12.860 1.932 1.00 63.44 H new ATOM 0 HB2 ALA A 77 5.205 -11.922 3.004 1.00 63.44 H new ATOM 0 HB3 ALA A 77 4.368 -11.117 1.656 1.00 63.44 H new ATOM 1238 N ILE A 78 5.870 -11.695 -1.328 1.00 50.42 N ATOM 1239 CA ILE A 78 5.598 -11.880 -2.775 1.00 23.33 C ATOM 1240 C ILE A 78 6.588 -12.908 -3.352 1.00 41.15 C ATOM 1241 O ILE A 78 7.795 -12.801 -3.083 1.00 13.45 O ATOM 1242 CB ILE A 78 5.710 -10.515 -3.578 1.00 2.43 C ATOM 1243 CG1 ILE A 78 4.587 -9.546 -3.137 1.00 41.11 C ATOM 1244 CG2 ILE A 78 5.672 -10.717 -5.122 1.00 1.21 C ATOM 1245 CD1 ILE A 78 4.684 -8.153 -3.715 1.00 72.31 C ATOM 0 H ILE A 78 6.307 -10.800 -1.106 1.00 50.42 H new ATOM 0 HA ILE A 78 4.575 -12.241 -2.883 1.00 23.33 H new ATOM 0 HB ILE A 78 6.683 -10.084 -3.340 1.00 2.43 H new ATOM 0 HG12 ILE A 78 3.626 -9.975 -3.420 1.00 41.11 H new ATOM 0 HG13 ILE A 78 4.596 -9.474 -2.049 1.00 41.11 H new ATOM 0 HG21 ILE A 78 5.752 -9.750 -5.618 1.00 1.21 H new ATOM 0 HG22 ILE A 78 6.505 -11.351 -5.427 1.00 1.21 H new ATOM 0 HG23 ILE A 78 4.732 -11.192 -5.404 1.00 1.21 H new ATOM 0 HD11 ILE A 78 3.854 -7.548 -3.349 1.00 72.31 H new ATOM 0 HD12 ILE A 78 5.627 -7.698 -3.411 1.00 72.31 H new ATOM 0 HD13 ILE A 78 4.641 -8.207 -4.803 1.00 72.31 H new ATOM 1369 N GLU A 86 7.045 -5.918 -10.756 1.00 11.55 N ATOM 1370 CA GLU A 86 5.819 -5.129 -10.717 1.00 63.04 C ATOM 1371 C GLU A 86 5.748 -4.403 -9.361 1.00 40.54 C ATOM 1372 O GLU A 86 6.094 -3.226 -9.255 1.00 30.45 O ATOM 1373 CB GLU A 86 4.548 -6.020 -10.940 1.00 52.13 C ATOM 1374 CG GLU A 86 3.199 -5.277 -10.932 1.00 4.33 C ATOM 1375 CD GLU A 86 3.128 -4.145 -11.974 1.00 60.13 C ATOM 1376 OE1 GLU A 86 2.950 -4.438 -13.176 1.00 21.12 O ATOM 1377 OE2 GLU A 86 3.241 -2.953 -11.593 1.00 71.02 O ATOM 0 HA GLU A 86 5.837 -4.402 -11.529 1.00 63.04 H new ATOM 0 HB2 GLU A 86 4.652 -6.535 -11.895 1.00 52.13 H new ATOM 0 HB3 GLU A 86 4.524 -6.786 -10.165 1.00 52.13 H new ATOM 0 HG2 GLU A 86 2.397 -5.990 -11.123 1.00 4.33 H new ATOM 0 HG3 GLU A 86 3.026 -4.861 -9.940 1.00 4.33 H new ATOM 1384 N ALA A 87 5.360 -5.157 -8.310 1.00 54.41 N ATOM 1385 CA ALA A 87 5.076 -4.613 -6.978 1.00 30.53 C ATOM 1386 C ALA A 87 6.354 -4.192 -6.237 1.00 71.21 C ATOM 1387 O ALA A 87 6.311 -3.281 -5.404 1.00 2.13 O ATOM 1388 CB ALA A 87 4.280 -5.632 -6.161 1.00 62.24 C ATOM 0 H ALA A 87 5.236 -6.168 -8.370 1.00 54.41 H new ATOM 0 HA ALA A 87 4.478 -3.710 -7.106 1.00 30.53 H new ATOM 0 HB1 ALA A 87 4.072 -5.223 -5.172 1.00 62.24 H new ATOM 0 HB2 ALA A 87 3.340 -5.851 -6.668 1.00 62.24 H new ATOM 0 HB3 ALA A 87 4.860 -6.549 -6.059 1.00 62.24 H new ATOM 1394 N LYS A 88 7.479 -4.861 -6.552 1.00 53.52 N ATOM 1395 CA LYS A 88 8.806 -4.569 -5.962 1.00 34.34 C ATOM 1396 C LYS A 88 9.262 -3.156 -6.387 1.00 71.31 C ATOM 1397 O LYS A 88 9.816 -2.390 -5.586 1.00 52.45 O ATOM 1398 CB LYS A 88 9.799 -5.685 -6.417 1.00 64.04 C ATOM 1399 CG LYS A 88 11.172 -5.769 -5.704 1.00 42.14 C ATOM 1400 CD LYS A 88 12.212 -4.755 -6.223 1.00 12.51 C ATOM 1401 CE LYS A 88 13.607 -5.011 -5.647 1.00 41.33 C ATOM 1402 NZ LYS A 88 14.199 -6.286 -6.139 1.00 41.20 N ATOM 0 H LYS A 88 7.496 -5.625 -7.227 1.00 53.52 H new ATOM 0 HA LYS A 88 8.766 -4.573 -4.873 1.00 34.34 H new ATOM 0 HB2 LYS A 88 9.300 -6.646 -6.296 1.00 64.04 H new ATOM 0 HB3 LYS A 88 9.983 -5.554 -7.483 1.00 64.04 H new ATOM 0 HG2 LYS A 88 11.025 -5.609 -4.636 1.00 42.14 H new ATOM 0 HG3 LYS A 88 11.571 -6.776 -5.824 1.00 42.14 H new ATOM 0 HD2 LYS A 88 12.255 -4.806 -7.311 1.00 12.51 H new ATOM 0 HD3 LYS A 88 11.893 -3.745 -5.964 1.00 12.51 H new ATOM 0 HE2 LYS A 88 14.264 -4.183 -5.912 1.00 41.33 H new ATOM 0 HE3 LYS A 88 13.549 -5.037 -4.559 1.00 41.33 H new ATOM 0 HZ1 LYS A 88 15.212 -6.311 -5.905 1.00 41.20 H new ATOM 0 HZ2 LYS A 88 13.719 -7.089 -5.686 1.00 41.20 H new ATOM 0 HZ3 LYS A 88 14.080 -6.349 -7.170 1.00 41.20 H new ATOM 1416 N GLU A 89 8.970 -2.825 -7.651 1.00 44.42 N ATOM 1417 CA GLU A 89 9.254 -1.509 -8.244 1.00 41.45 C ATOM 1418 C GLU A 89 8.269 -0.449 -7.707 1.00 72.13 C ATOM 1419 O GLU A 89 8.622 0.724 -7.603 1.00 50.13 O ATOM 1420 CB GLU A 89 9.195 -1.578 -9.797 1.00 24.02 C ATOM 1421 CG GLU A 89 10.366 -2.339 -10.468 1.00 44.34 C ATOM 1422 CD GLU A 89 10.480 -3.832 -10.080 1.00 5.43 C ATOM 1423 OE1 GLU A 89 9.446 -4.527 -10.051 1.00 51.35 O ATOM 1424 OE2 GLU A 89 11.600 -4.314 -9.798 1.00 13.52 O ATOM 0 H GLU A 89 8.523 -3.472 -8.301 1.00 44.42 H new ATOM 0 HA GLU A 89 10.264 -1.216 -7.957 1.00 41.45 H new ATOM 0 HB2 GLU A 89 8.259 -2.054 -10.088 1.00 24.02 H new ATOM 0 HB3 GLU A 89 9.171 -0.561 -10.189 1.00 24.02 H new ATOM 0 HG2 GLU A 89 10.254 -2.267 -11.550 1.00 44.34 H new ATOM 0 HG3 GLU A 89 11.300 -1.839 -10.210 1.00 44.34 H new ATOM 1431 N MET A 90 7.033 -0.883 -7.376 1.00 40.01 N ATOM 1432 CA MET A 90 6.022 -0.019 -6.720 1.00 51.11 C ATOM 1433 C MET A 90 6.457 0.339 -5.285 1.00 2.35 C ATOM 1434 O MET A 90 6.206 1.451 -4.801 1.00 1.24 O ATOM 1435 CB MET A 90 4.626 -0.701 -6.690 1.00 12.33 C ATOM 1436 CG MET A 90 4.029 -1.030 -8.064 1.00 21.41 C ATOM 1437 SD MET A 90 2.250 -1.379 -7.997 1.00 74.33 S ATOM 1438 CE MET A 90 2.123 -2.505 -6.609 1.00 33.40 C ATOM 0 H MET A 90 6.708 -1.833 -7.553 1.00 40.01 H new ATOM 0 HA MET A 90 5.946 0.895 -7.308 1.00 51.11 H new ATOM 0 HB2 MET A 90 4.703 -1.624 -6.115 1.00 12.33 H new ATOM 0 HB3 MET A 90 3.933 -0.050 -6.157 1.00 12.33 H new ATOM 0 HG2 MET A 90 4.205 -0.193 -8.740 1.00 21.41 H new ATOM 0 HG3 MET A 90 4.548 -1.893 -8.483 1.00 21.41 H new ATOM 0 HE1 MET A 90 1.623 -3.420 -6.927 1.00 33.40 H new ATOM 0 HE2 MET A 90 3.121 -2.746 -6.243 1.00 33.40 H new ATOM 0 HE3 MET A 90 1.548 -2.036 -5.811 1.00 33.40 H new ATOM 1448 N ALA A 91 7.129 -0.621 -4.622 1.00 21.52 N ATOM 1449 CA ALA A 91 7.721 -0.423 -3.287 1.00 13.23 C ATOM 1450 C ALA A 91 8.862 0.590 -3.358 1.00 3.52 C ATOM 1451 O ALA A 91 9.076 1.370 -2.425 1.00 12.11 O ATOM 1452 CB ALA A 91 8.228 -1.754 -2.731 1.00 22.34 C ATOM 0 H ALA A 91 7.277 -1.557 -4.999 1.00 21.52 H new ATOM 0 HA ALA A 91 6.952 -0.035 -2.619 1.00 13.23 H new ATOM 0 HB1 ALA A 91 8.663 -1.594 -1.744 1.00 22.34 H new ATOM 0 HB2 ALA A 91 7.397 -2.455 -2.652 1.00 22.34 H new ATOM 0 HB3 ALA A 91 8.986 -2.163 -3.400 1.00 22.34 H new ATOM 1458 N LYS A 92 9.582 0.554 -4.493 1.00 30.33 N ATOM 1459 CA LYS A 92 10.640 1.516 -4.797 1.00 5.12 C ATOM 1460 C LYS A 92 10.052 2.902 -5.088 1.00 63.43 C ATOM 1461 O LYS A 92 10.636 3.890 -4.682 1.00 35.33 O ATOM 1462 CB LYS A 92 11.543 1.020 -5.980 1.00 23.34 C ATOM 1463 CG LYS A 92 12.909 0.453 -5.536 1.00 34.30 C ATOM 1464 CD LYS A 92 13.762 1.508 -4.783 1.00 23.52 C ATOM 1465 CE LYS A 92 15.133 0.975 -4.347 1.00 35.24 C ATOM 1466 NZ LYS A 92 15.930 2.018 -3.645 1.00 71.13 N ATOM 0 H LYS A 92 9.442 -0.146 -5.222 1.00 30.33 H new ATOM 0 HA LYS A 92 11.276 1.600 -3.916 1.00 5.12 H new ATOM 0 HB2 LYS A 92 11.006 0.251 -6.535 1.00 23.34 H new ATOM 0 HB3 LYS A 92 11.712 1.850 -6.666 1.00 23.34 H new ATOM 0 HG2 LYS A 92 12.750 -0.411 -4.891 1.00 34.30 H new ATOM 0 HG3 LYS A 92 13.457 0.102 -6.410 1.00 34.30 H new ATOM 0 HD2 LYS A 92 13.904 2.377 -5.426 1.00 23.52 H new ATOM 0 HD3 LYS A 92 13.215 1.848 -3.904 1.00 23.52 H new ATOM 0 HE2 LYS A 92 14.998 0.116 -3.689 1.00 35.24 H new ATOM 0 HE3 LYS A 92 15.682 0.624 -5.221 1.00 35.24 H new ATOM 0 HZ1 LYS A 92 16.608 1.562 -3.001 1.00 71.13 H new ATOM 0 HZ2 LYS A 92 16.447 2.589 -4.344 1.00 71.13 H new ATOM 0 HZ3 LYS A 92 15.293 2.632 -3.099 1.00 71.13 H new ATOM 1480 N LYS A 93 8.882 2.956 -5.771 1.00 54.12 N ATOM 1481 CA LYS A 93 8.193 4.232 -6.084 1.00 14.35 C ATOM 1482 C LYS A 93 7.873 5.006 -4.796 1.00 34.35 C ATOM 1483 O LYS A 93 8.266 6.165 -4.651 1.00 1.12 O ATOM 1484 CB LYS A 93 6.872 3.984 -6.880 1.00 22.43 C ATOM 1485 CG LYS A 93 6.997 3.484 -8.345 1.00 51.25 C ATOM 1486 CD LYS A 93 7.348 4.601 -9.368 1.00 24.13 C ATOM 1487 CE LYS A 93 8.820 5.022 -9.327 1.00 61.53 C ATOM 1488 NZ LYS A 93 9.138 6.103 -10.292 1.00 24.54 N ATOM 0 H LYS A 93 8.395 2.129 -6.116 1.00 54.12 H new ATOM 0 HA LYS A 93 8.869 4.822 -6.703 1.00 14.35 H new ATOM 0 HB2 LYS A 93 6.278 3.257 -6.327 1.00 22.43 H new ATOM 0 HB3 LYS A 93 6.306 4.916 -6.890 1.00 22.43 H new ATOM 0 HG2 LYS A 93 7.764 2.711 -8.390 1.00 51.25 H new ATOM 0 HG3 LYS A 93 6.057 3.018 -8.640 1.00 51.25 H new ATOM 0 HD2 LYS A 93 7.105 4.253 -10.372 1.00 24.13 H new ATOM 0 HD3 LYS A 93 6.723 5.472 -9.172 1.00 24.13 H new ATOM 0 HE2 LYS A 93 9.069 5.356 -8.320 1.00 61.53 H new ATOM 0 HE3 LYS A 93 9.447 4.156 -9.540 1.00 61.53 H new ATOM 0 HZ1 LYS A 93 10.146 6.347 -10.220 1.00 24.54 H new ATOM 0 HZ2 LYS A 93 8.928 5.779 -11.258 1.00 24.54 H new ATOM 0 HZ3 LYS A 93 8.563 6.942 -10.076 1.00 24.54 H new ATOM 1502 N ALA A 94 7.206 4.310 -3.859 1.00 50.11 N ATOM 1503 CA ALA A 94 6.814 4.863 -2.549 1.00 22.53 C ATOM 1504 C ALA A 94 8.045 5.254 -1.699 1.00 45.23 C ATOM 1505 O ALA A 94 7.989 6.197 -0.900 1.00 2.00 O ATOM 1506 CB ALA A 94 5.921 3.852 -1.815 1.00 61.21 C ATOM 0 H ALA A 94 6.921 3.339 -3.990 1.00 50.11 H new ATOM 0 HA ALA A 94 6.249 5.781 -2.713 1.00 22.53 H new ATOM 0 HB1 ALA A 94 5.630 4.259 -0.847 1.00 61.21 H new ATOM 0 HB2 ALA A 94 5.028 3.656 -2.409 1.00 61.21 H new ATOM 0 HB3 ALA A 94 6.470 2.922 -1.668 1.00 61.21 H new ATOM 1512 N GLU A 95 9.156 4.524 -1.914 1.00 61.42 N ATOM 1513 CA GLU A 95 10.440 4.762 -1.236 1.00 70.04 C ATOM 1514 C GLU A 95 11.090 6.071 -1.767 1.00 11.41 C ATOM 1515 O GLU A 95 11.545 6.899 -0.974 1.00 42.13 O ATOM 1516 CB GLU A 95 11.341 3.502 -1.437 1.00 42.22 C ATOM 1517 CG GLU A 95 12.579 3.366 -0.513 1.00 24.15 C ATOM 1518 CD GLU A 95 13.811 4.163 -0.977 1.00 53.12 C ATOM 1519 OE1 GLU A 95 14.342 3.864 -2.069 1.00 30.43 O ATOM 1520 OE2 GLU A 95 14.258 5.084 -0.262 1.00 2.12 O ATOM 0 H GLU A 95 9.185 3.744 -2.571 1.00 61.42 H new ATOM 0 HA GLU A 95 10.299 4.908 -0.165 1.00 70.04 H new ATOM 0 HB2 GLU A 95 10.720 2.617 -1.303 1.00 42.22 H new ATOM 0 HB3 GLU A 95 11.687 3.495 -2.470 1.00 42.22 H new ATOM 0 HG2 GLU A 95 12.306 3.694 0.490 1.00 24.15 H new ATOM 0 HG3 GLU A 95 12.849 2.312 -0.441 1.00 24.15 H new ATOM 1527 N GLU A 96 11.068 6.264 -3.111 1.00 33.03 N ATOM 1528 CA GLU A 96 11.605 7.480 -3.781 1.00 24.40 C ATOM 1529 C GLU A 96 10.819 8.731 -3.364 1.00 52.14 C ATOM 1530 O GLU A 96 11.395 9.810 -3.155 1.00 33.45 O ATOM 1531 CB GLU A 96 11.520 7.361 -5.332 1.00 32.02 C ATOM 1532 CG GLU A 96 12.265 6.173 -5.955 1.00 61.02 C ATOM 1533 CD GLU A 96 13.788 6.199 -5.778 1.00 53.21 C ATOM 1534 OE1 GLU A 96 14.459 6.975 -6.484 1.00 11.11 O ATOM 1535 OE2 GLU A 96 14.323 5.429 -4.954 1.00 40.20 O ATOM 0 H GLU A 96 10.678 5.582 -3.762 1.00 33.03 H new ATOM 0 HA GLU A 96 12.647 7.568 -3.473 1.00 24.40 H new ATOM 0 HB2 GLU A 96 10.469 7.295 -5.615 1.00 32.02 H new ATOM 0 HB3 GLU A 96 11.911 8.280 -5.769 1.00 32.02 H new ATOM 0 HG2 GLU A 96 11.879 5.252 -5.518 1.00 61.02 H new ATOM 0 HG3 GLU A 96 12.039 6.140 -7.021 1.00 61.02 H new ATOM 1542 N TRP A 97 9.487 8.565 -3.280 1.00 4.20 N ATOM 1543 CA TRP A 97 8.566 9.634 -2.876 1.00 65.14 C ATOM 1544 C TRP A 97 8.877 10.092 -1.452 1.00 31.32 C ATOM 1545 O TRP A 97 8.965 11.291 -1.185 1.00 0.05 O ATOM 1546 CB TRP A 97 7.100 9.139 -2.973 1.00 53.52 C ATOM 1547 CG TRP A 97 6.639 8.797 -4.367 1.00 45.21 C ATOM 1548 CD1 TRP A 97 7.184 9.219 -5.550 1.00 61.41 C ATOM 1549 CD2 TRP A 97 5.522 7.967 -4.723 1.00 62.51 C ATOM 1550 NE1 TRP A 97 6.500 8.679 -6.603 1.00 31.35 N ATOM 1551 CE2 TRP A 97 5.476 7.908 -6.123 1.00 5.00 C ATOM 1552 CE3 TRP A 97 4.565 7.262 -3.987 1.00 22.40 C ATOM 1553 CZ2 TRP A 97 4.508 7.179 -6.809 1.00 63.40 C ATOM 1554 CZ3 TRP A 97 3.613 6.532 -4.666 1.00 15.35 C ATOM 1555 CH2 TRP A 97 3.594 6.498 -6.062 1.00 31.12 C ATOM 0 H TRP A 97 9.021 7.683 -3.492 1.00 4.20 H new ATOM 0 HA TRP A 97 8.696 10.481 -3.549 1.00 65.14 H new ATOM 0 HB2 TRP A 97 6.986 8.258 -2.341 1.00 53.52 H new ATOM 0 HB3 TRP A 97 6.444 9.909 -2.567 1.00 53.52 H new ATOM 0 HD1 TRP A 97 8.032 9.882 -5.638 1.00 61.41 H new ATOM 0 HE1 TRP A 97 6.718 8.827 -7.588 1.00 31.35 H new ATOM 0 HE3 TRP A 97 4.571 7.289 -2.907 1.00 22.40 H new ATOM 0 HZ2 TRP A 97 4.483 7.154 -7.888 1.00 63.40 H new ATOM 0 HZ3 TRP A 97 2.871 5.978 -4.110 1.00 15.35 H new ATOM 0 HH2 TRP A 97 2.834 5.916 -6.563 1.00 31.12 H new ATOM 1566 N LEU A 98 9.083 9.100 -0.561 1.00 21.41 N ATOM 1567 CA LEU A 98 9.394 9.326 0.861 1.00 2.03 C ATOM 1568 C LEU A 98 10.709 10.123 1.030 1.00 34.13 C ATOM 1569 O LEU A 98 10.839 10.925 1.961 1.00 73.11 O ATOM 1570 CB LEU A 98 9.474 7.961 1.601 1.00 72.02 C ATOM 1571 CG LEU A 98 9.600 8.021 3.158 1.00 22.32 C ATOM 1572 CD1 LEU A 98 8.352 8.667 3.805 1.00 61.13 C ATOM 1573 CD2 LEU A 98 9.870 6.616 3.742 1.00 44.22 C ATOM 0 H LEU A 98 9.037 8.113 -0.813 1.00 21.41 H new ATOM 0 HA LEU A 98 8.595 9.923 1.301 1.00 2.03 H new ATOM 0 HB2 LEU A 98 8.583 7.385 1.352 1.00 72.02 H new ATOM 0 HB3 LEU A 98 10.329 7.410 1.210 1.00 72.02 H new ATOM 0 HG LEU A 98 10.453 8.656 3.397 1.00 22.32 H new ATOM 0 HD11 LEU A 98 8.475 8.692 4.888 1.00 61.13 H new ATOM 0 HD12 LEU A 98 8.233 9.683 3.430 1.00 61.13 H new ATOM 0 HD13 LEU A 98 7.468 8.081 3.554 1.00 61.13 H new ATOM 0 HD21 LEU A 98 9.954 6.683 4.827 1.00 44.22 H new ATOM 0 HD22 LEU A 98 9.047 5.950 3.482 1.00 44.22 H new ATOM 0 HD23 LEU A 98 10.799 6.223 3.330 1.00 44.22 H new ATOM 1585 N GLN A 99 11.666 9.908 0.094 1.00 62.03 N ATOM 1586 CA GLN A 99 12.947 10.653 0.062 1.00 62.12 C ATOM 1587 C GLN A 99 12.696 12.141 -0.208 1.00 23.13 C ATOM 1588 O GLN A 99 13.206 12.997 0.503 1.00 23.14 O ATOM 1589 CB GLN A 99 13.902 10.107 -1.032 1.00 72.11 C ATOM 1590 CG GLN A 99 14.256 8.619 -0.917 1.00 42.13 C ATOM 1591 CD GLN A 99 15.063 8.114 -2.116 1.00 75.42 C ATOM 1592 OE1 GLN A 99 15.870 8.841 -2.693 1.00 3.33 O ATOM 1593 NE2 GLN A 99 14.828 6.891 -2.528 1.00 43.12 N ATOM 0 H GLN A 99 11.572 9.220 -0.653 1.00 62.03 H new ATOM 0 HA GLN A 99 13.415 10.521 1.038 1.00 62.12 H new ATOM 0 HB2 GLN A 99 13.446 10.280 -2.007 1.00 72.11 H new ATOM 0 HB3 GLN A 99 14.825 10.685 -1.005 1.00 72.11 H new ATOM 0 HG2 GLN A 99 14.827 8.454 -0.003 1.00 42.13 H new ATOM 0 HG3 GLN A 99 13.339 8.036 -0.829 1.00 42.13 H new ATOM 0 HE21 GLN A 99 14.154 6.307 -2.033 1.00 43.12 H new ATOM 0 HE22 GLN A 99 15.319 6.524 -3.343 1.00 43.12 H new ATOM 1602 N ALA A 100 11.884 12.420 -1.243 1.00 42.51 N ATOM 1603 CA ALA A 100 11.565 13.797 -1.670 1.00 51.41 C ATOM 1604 C ALA A 100 10.709 14.534 -0.621 1.00 74.14 C ATOM 1605 O ALA A 100 10.801 15.756 -0.487 1.00 73.51 O ATOM 1606 CB ALA A 100 10.860 13.776 -3.032 1.00 75.25 C ATOM 0 H ALA A 100 11.431 11.701 -1.807 1.00 42.51 H new ATOM 0 HA ALA A 100 12.502 14.346 -1.766 1.00 51.41 H new ATOM 0 HB1 ALA A 100 10.629 14.796 -3.338 1.00 75.25 H new ATOM 0 HB2 ALA A 100 11.513 13.314 -3.773 1.00 75.25 H new ATOM 0 HB3 ALA A 100 9.936 13.203 -2.955 1.00 75.25 H new ATOM 1612 N GLU A 101 9.895 13.762 0.125 1.00 34.40 N ATOM 1613 CA GLU A 101 9.024 14.284 1.199 1.00 13.23 C ATOM 1614 C GLU A 101 9.827 14.719 2.447 1.00 51.21 C ATOM 1615 O GLU A 101 9.285 15.407 3.317 1.00 65.05 O ATOM 1616 CB GLU A 101 7.948 13.223 1.573 1.00 61.21 C ATOM 1617 CG GLU A 101 6.863 12.981 0.502 1.00 23.14 C ATOM 1618 CD GLU A 101 6.021 14.232 0.186 1.00 14.23 C ATOM 1619 OE1 GLU A 101 5.134 14.577 0.988 1.00 15.32 O ATOM 1620 OE2 GLU A 101 6.255 14.892 -0.854 1.00 30.55 O ATOM 0 H GLU A 101 9.822 12.752 -0.001 1.00 34.40 H new ATOM 0 HA GLU A 101 8.529 15.178 0.819 1.00 13.23 H new ATOM 0 HB2 GLU A 101 8.450 12.277 1.779 1.00 61.21 H new ATOM 0 HB3 GLU A 101 7.461 13.533 2.497 1.00 61.21 H new ATOM 0 HG2 GLU A 101 7.340 12.633 -0.414 1.00 23.14 H new ATOM 0 HG3 GLU A 101 6.201 12.183 0.840 1.00 23.14 H new