USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 553 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 47 THR OG1 : rot 180:sc= -1.58 USER MOD Set 1.2: A 83 SER OG : rot -162:sc= -0.632 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -116:sc= 1.24 USER MOD Single : A 39 LYS NZ :NH3+ 169:sc= -4.6! (180deg=-4.93) USER MOD Single : A 45 SER OG : rot 180:sc= -0.781 USER MOD Single : A 48 HIS : no HD1:sc=-0.00277 X(o=-0.0028,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -3.34! K(o=-3.3!,f=-1) USER MOD Single : A 55 SER OG : rot 180:sc= -0.265 USER MOD Single : A 56 HIS : no HD1:sc= -0.207 X(o=-0.21,f=-0.033) USER MOD Single : A 75 THR OG1 : rot 160:sc= 0 USER MOD Single : A 76 HIS : no HE2:sc= -0.378 K(o=-0.38,f=-4!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 30:sc= 1.1 USER MOD Single : A 93 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00717) USER MOD Single : A 95 HIS : no HE2:sc= -1.12 K(o=-1.1,f=-4.1!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 48:sc= 1.23 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 HIS : no HD1:sc= 0.0243 K(o=0.024,f=-0.48) USER MOD Single : A 115 MET CE :methyl -142:sc= -0.0135 (180deg=-0.345) USER MOD Single : A 116 THR OG1 : rot -90:sc= -0.147 USER MOD Single : A 117 THR OG1 : rot 180:sc= -0.725 USER MOD Single : A 118 LYS NZ :NH3+ -160:sc= -0.0254 (180deg=-0.238) USER MOD Single : A 119 THR OG1 : rot 180:sc= 0.0198 USER MOD ----------------------------------------------------------------- ATOM 471 N ALA A 33 44.073 -34.624 -75.663 1.00 63.13 N ATOM 472 CA ALA A 33 42.799 -34.956 -75.038 1.00 60.13 C ATOM 473 C ALA A 33 42.344 -33.846 -74.097 1.00 75.21 C ATOM 474 O ALA A 33 43.034 -33.512 -73.135 1.00 60.32 O ATOM 475 CB ALA A 33 42.907 -36.276 -74.288 1.00 51.44 C ATOM 0 HA ALA A 33 42.052 -35.058 -75.825 1.00 60.13 H new ATOM 0 HB1 ALA A 33 41.948 -36.512 -73.826 1.00 51.44 H new ATOM 0 HB2 ALA A 33 43.179 -37.069 -74.985 1.00 51.44 H new ATOM 0 HB3 ALA A 33 43.671 -36.194 -73.515 1.00 51.44 H new ATOM 481 N GLY A 34 41.176 -33.277 -74.382 1.00 30.04 N ATOM 482 CA GLY A 34 40.649 -32.210 -73.551 1.00 40.23 C ATOM 483 C GLY A 34 40.427 -32.647 -72.117 1.00 72.10 C ATOM 484 O GLY A 34 40.701 -31.895 -71.182 1.00 60.13 O ATOM 0 H GLY A 34 40.586 -33.536 -75.173 1.00 30.04 H new ATOM 0 HA2 GLY A 34 41.339 -31.366 -73.568 1.00 40.23 H new ATOM 0 HA3 GLY A 34 39.706 -31.859 -73.971 1.00 40.23 H new ATOM 488 N ALA A 35 39.927 -33.866 -71.942 1.00 71.04 N ATOM 489 CA ALA A 35 39.668 -34.402 -70.612 1.00 21.21 C ATOM 490 C ALA A 35 40.954 -34.492 -69.797 1.00 32.52 C ATOM 491 O ALA A 35 40.926 -34.431 -68.567 1.00 53.23 O ATOM 492 CB ALA A 35 39.008 -35.769 -70.713 1.00 31.20 C ATOM 0 H ALA A 35 39.693 -34.501 -72.705 1.00 71.04 H new ATOM 0 HA ALA A 35 38.990 -33.721 -70.098 1.00 21.21 H new ATOM 0 HB1 ALA A 35 38.820 -36.157 -69.712 1.00 31.20 H new ATOM 0 HB2 ALA A 35 38.064 -35.678 -71.250 1.00 31.20 H new ATOM 0 HB3 ALA A 35 39.666 -36.452 -71.250 1.00 31.20 H new ATOM 498 N ILE A 36 42.078 -34.639 -70.489 1.00 24.51 N ATOM 499 CA ILE A 36 43.374 -34.738 -69.828 1.00 40.13 C ATOM 500 C ILE A 36 43.580 -33.588 -68.848 1.00 31.21 C ATOM 501 O ILE A 36 44.222 -33.750 -67.810 1.00 2.20 O ATOM 502 CB ILE A 36 44.528 -34.740 -70.849 1.00 35.22 C ATOM 503 CG1 ILE A 36 45.694 -35.585 -70.331 1.00 52.40 C ATOM 504 CG2 ILE A 36 44.983 -33.317 -71.136 1.00 63.53 C ATOM 505 CD1 ILE A 36 46.190 -36.607 -71.330 1.00 0.52 C ATOM 0 H ILE A 36 42.118 -34.692 -71.507 1.00 24.51 H new ATOM 0 HA ILE A 36 43.379 -35.682 -69.284 1.00 40.13 H new ATOM 0 HB ILE A 36 44.171 -35.180 -71.780 1.00 35.22 H new ATOM 0 HG12 ILE A 36 46.518 -34.925 -70.059 1.00 52.40 H new ATOM 0 HG13 ILE A 36 45.384 -36.099 -69.421 1.00 52.40 H new ATOM 0 HG21 ILE A 36 45.799 -33.335 -71.859 1.00 63.53 H new ATOM 0 HG22 ILE A 36 44.150 -32.744 -71.543 1.00 63.53 H new ATOM 0 HG23 ILE A 36 45.327 -32.852 -70.212 1.00 63.53 H new ATOM 0 HD11 ILE A 36 47.016 -37.169 -70.895 1.00 0.52 H new ATOM 0 HD12 ILE A 36 45.380 -37.291 -71.584 1.00 0.52 H new ATOM 0 HD13 ILE A 36 46.532 -36.098 -72.232 1.00 0.52 H new ATOM 517 N LYS A 37 43.029 -32.426 -69.183 1.00 30.51 N ATOM 518 CA LYS A 37 43.148 -31.249 -68.332 1.00 4.34 C ATOM 519 C LYS A 37 42.453 -31.473 -66.992 1.00 42.45 C ATOM 520 O LYS A 37 42.933 -31.026 -65.951 1.00 2.22 O ATOM 521 CB LYS A 37 42.550 -30.026 -69.031 1.00 1.13 C ATOM 522 CG LYS A 37 43.578 -29.180 -69.761 1.00 41.45 C ATOM 523 CD LYS A 37 43.911 -27.915 -68.987 1.00 61.15 C ATOM 524 CE LYS A 37 45.412 -27.754 -68.802 1.00 21.33 C ATOM 525 NZ LYS A 37 45.784 -26.349 -68.479 1.00 14.12 N ATOM 0 H LYS A 37 42.495 -32.275 -70.039 1.00 30.51 H new ATOM 0 HA LYS A 37 44.207 -31.072 -68.146 1.00 4.34 H new ATOM 0 HB2 LYS A 37 41.794 -30.358 -69.742 1.00 1.13 H new ATOM 0 HB3 LYS A 37 42.042 -29.407 -68.291 1.00 1.13 H new ATOM 0 HG2 LYS A 37 44.486 -29.763 -69.916 1.00 41.45 H new ATOM 0 HG3 LYS A 37 43.198 -28.915 -70.747 1.00 41.45 H new ATOM 0 HD2 LYS A 37 43.513 -27.049 -69.515 1.00 61.15 H new ATOM 0 HD3 LYS A 37 43.424 -27.945 -68.012 1.00 61.15 H new ATOM 0 HE2 LYS A 37 45.752 -28.412 -68.003 1.00 21.33 H new ATOM 0 HE3 LYS A 37 45.925 -28.066 -69.712 1.00 21.33 H new ATOM 0 HZ1 LYS A 37 46.815 -26.281 -68.361 1.00 14.12 H new ATOM 0 HZ2 LYS A 37 45.483 -25.723 -69.253 1.00 14.12 H new ATOM 0 HZ3 LYS A 37 45.315 -26.060 -67.597 1.00 14.12 H new ATOM 539 N SER A 38 41.321 -32.168 -67.028 1.00 21.25 N ATOM 540 CA SER A 38 40.559 -32.449 -65.817 1.00 32.34 C ATOM 541 C SER A 38 41.374 -33.299 -64.846 1.00 61.05 C ATOM 542 O SER A 38 41.457 -32.996 -63.656 1.00 22.51 O ATOM 543 CB SER A 38 39.253 -33.165 -66.165 1.00 75.15 C ATOM 544 OG SER A 38 38.279 -32.249 -66.637 1.00 22.25 O ATOM 0 H SER A 38 40.911 -32.547 -67.882 1.00 21.25 H new ATOM 0 HA SER A 38 40.328 -31.499 -65.335 1.00 32.34 H new ATOM 0 HB2 SER A 38 39.442 -33.924 -66.925 1.00 75.15 H new ATOM 0 HB3 SER A 38 38.873 -33.683 -65.285 1.00 75.15 H new ATOM 0 HG SER A 38 37.521 -32.228 -66.016 1.00 22.25 H new ATOM 550 N LYS A 39 41.975 -34.365 -65.365 1.00 10.24 N ATOM 551 CA LYS A 39 42.786 -35.260 -64.547 1.00 55.31 C ATOM 552 C LYS A 39 44.042 -34.553 -64.049 1.00 63.02 C ATOM 553 O LYS A 39 44.556 -34.863 -62.974 1.00 42.23 O ATOM 554 CB LYS A 39 43.171 -36.506 -65.347 1.00 43.34 C ATOM 555 CG LYS A 39 44.261 -36.255 -66.376 1.00 14.02 C ATOM 556 CD LYS A 39 45.029 -37.526 -66.696 1.00 31.34 C ATOM 557 CE LYS A 39 44.162 -38.529 -67.442 1.00 14.25 C ATOM 558 NZ LYS A 39 43.477 -39.469 -66.512 1.00 73.41 N ATOM 0 H LYS A 39 41.916 -34.630 -66.348 1.00 10.24 H new ATOM 0 HA LYS A 39 42.193 -35.560 -63.683 1.00 55.31 H new ATOM 0 HB2 LYS A 39 43.505 -37.281 -64.658 1.00 43.34 H new ATOM 0 HB3 LYS A 39 42.286 -36.890 -65.854 1.00 43.34 H new ATOM 0 HG2 LYS A 39 43.817 -35.858 -67.289 1.00 14.02 H new ATOM 0 HG3 LYS A 39 44.949 -35.498 -66.001 1.00 14.02 H new ATOM 0 HD2 LYS A 39 45.904 -37.282 -67.298 1.00 31.34 H new ATOM 0 HD3 LYS A 39 45.393 -37.975 -65.772 1.00 31.34 H new ATOM 0 HE2 LYS A 39 43.417 -37.996 -68.034 1.00 14.25 H new ATOM 0 HE3 LYS A 39 44.779 -39.094 -68.140 1.00 14.25 H new ATOM 0 HZ1 LYS A 39 42.759 -40.011 -67.033 1.00 73.41 H new ATOM 0 HZ2 LYS A 39 44.175 -40.123 -66.103 1.00 73.41 H new ATOM 0 HZ3 LYS A 39 43.019 -38.931 -65.749 1.00 73.41 H new ATOM 572 N VAL A 40 44.532 -33.601 -64.837 1.00 50.02 N ATOM 573 CA VAL A 40 45.727 -32.848 -64.475 1.00 21.41 C ATOM 574 C VAL A 40 45.538 -32.121 -63.148 1.00 73.53 C ATOM 575 O VAL A 40 46.459 -32.040 -62.337 1.00 63.42 O ATOM 576 CB VAL A 40 46.095 -31.822 -65.562 1.00 51.35 C ATOM 577 CG1 VAL A 40 47.113 -30.824 -65.033 1.00 5.05 C ATOM 578 CG2 VAL A 40 46.622 -32.526 -66.803 1.00 62.33 C ATOM 0 H VAL A 40 44.120 -33.333 -65.731 1.00 50.02 H new ATOM 0 HA VAL A 40 46.538 -33.570 -64.378 1.00 21.41 H new ATOM 0 HB VAL A 40 45.194 -31.274 -65.838 1.00 51.35 H new ATOM 0 HG11 VAL A 40 47.360 -30.107 -65.816 1.00 5.05 H new ATOM 0 HG12 VAL A 40 46.694 -30.296 -64.177 1.00 5.05 H new ATOM 0 HG13 VAL A 40 48.016 -31.353 -64.727 1.00 5.05 H new ATOM 0 HG21 VAL A 40 46.877 -31.785 -67.561 1.00 62.33 H new ATOM 0 HG22 VAL A 40 47.511 -33.102 -66.545 1.00 62.33 H new ATOM 0 HG23 VAL A 40 45.856 -33.196 -67.194 1.00 62.33 H new ATOM 588 N GLU A 41 44.336 -31.595 -62.935 1.00 11.33 N ATOM 589 CA GLU A 41 44.026 -30.874 -61.706 1.00 1.24 C ATOM 590 C GLU A 41 44.275 -31.752 -60.483 1.00 13.25 C ATOM 591 O GLU A 41 44.560 -31.253 -59.395 1.00 13.55 O ATOM 592 CB GLU A 41 42.572 -30.399 -61.719 1.00 75.23 C ATOM 593 CG GLU A 41 41.586 -31.444 -61.223 1.00 11.41 C ATOM 594 CD GLU A 41 41.392 -31.395 -59.720 1.00 12.22 C ATOM 595 OE1 GLU A 41 41.279 -30.278 -59.173 1.00 2.32 O ATOM 596 OE2 GLU A 41 41.353 -32.473 -59.091 1.00 11.33 O ATOM 0 H GLU A 41 43.562 -31.654 -63.597 1.00 11.33 H new ATOM 0 HA GLU A 41 44.683 -30.006 -61.649 1.00 1.24 H new ATOM 0 HB2 GLU A 41 42.485 -29.506 -61.100 1.00 75.23 H new ATOM 0 HB3 GLU A 41 42.302 -30.110 -62.735 1.00 75.23 H new ATOM 0 HG2 GLU A 41 40.625 -31.294 -61.715 1.00 11.41 H new ATOM 0 HG3 GLU A 41 41.939 -32.435 -61.508 1.00 11.41 H new ATOM 603 N ALA A 42 44.164 -33.063 -60.670 1.00 53.22 N ATOM 604 CA ALA A 42 44.377 -34.011 -59.584 1.00 5.22 C ATOM 605 C ALA A 42 45.865 -34.235 -59.336 1.00 3.14 C ATOM 606 O ALA A 42 46.263 -34.699 -58.267 1.00 51.43 O ATOM 607 CB ALA A 42 43.687 -35.331 -59.892 1.00 61.20 C ATOM 0 H ALA A 42 43.928 -33.493 -61.564 1.00 53.22 H new ATOM 0 HA ALA A 42 43.943 -33.590 -58.677 1.00 5.22 H new ATOM 0 HB1 ALA A 42 43.855 -36.029 -59.072 1.00 61.20 H new ATOM 0 HB2 ALA A 42 42.617 -35.163 -60.012 1.00 61.20 H new ATOM 0 HB3 ALA A 42 44.094 -35.748 -60.813 1.00 61.20 H new ATOM 613 N ALA A 43 46.683 -33.903 -60.329 1.00 72.35 N ATOM 614 CA ALA A 43 48.127 -34.067 -60.218 1.00 32.31 C ATOM 615 C ALA A 43 48.674 -33.309 -59.014 1.00 1.44 C ATOM 616 O ALA A 43 49.721 -33.661 -58.468 1.00 51.23 O ATOM 617 CB ALA A 43 48.811 -33.600 -61.494 1.00 23.11 C ATOM 0 H ALA A 43 46.370 -33.518 -61.220 1.00 72.35 H new ATOM 0 HA ALA A 43 48.338 -35.127 -60.073 1.00 32.31 H new ATOM 0 HB1 ALA A 43 49.889 -33.728 -61.397 1.00 23.11 H new ATOM 0 HB2 ALA A 43 48.450 -34.189 -62.337 1.00 23.11 H new ATOM 0 HB3 ALA A 43 48.585 -32.547 -61.664 1.00 23.11 H new ATOM 623 N LEU A 44 47.961 -32.266 -58.603 1.00 52.34 N ATOM 624 CA LEU A 44 48.376 -31.456 -57.463 1.00 34.11 C ATOM 625 C LEU A 44 48.446 -32.299 -56.194 1.00 13.15 C ATOM 626 O LEU A 44 49.081 -31.911 -55.213 1.00 65.14 O ATOM 627 CB LEU A 44 47.407 -30.289 -57.261 1.00 71.54 C ATOM 628 CG LEU A 44 47.274 -29.317 -58.434 1.00 21.11 C ATOM 629 CD1 LEU A 44 46.023 -28.466 -58.282 1.00 42.51 C ATOM 630 CD2 LEU A 44 48.511 -28.437 -58.540 1.00 20.03 C ATOM 0 H LEU A 44 47.092 -31.961 -59.042 1.00 52.34 H new ATOM 0 HA LEU A 44 49.371 -31.062 -57.671 1.00 34.11 H new ATOM 0 HB2 LEU A 44 46.421 -30.696 -57.039 1.00 71.54 H new ATOM 0 HB3 LEU A 44 47.725 -29.727 -56.383 1.00 71.54 H new ATOM 0 HG LEU A 44 47.185 -29.896 -59.353 1.00 21.11 H new ATOM 0 HD11 LEU A 44 45.945 -27.780 -59.126 1.00 42.51 H new ATOM 0 HD12 LEU A 44 45.145 -29.111 -58.256 1.00 42.51 H new ATOM 0 HD13 LEU A 44 46.081 -27.896 -57.355 1.00 42.51 H new ATOM 0 HD21 LEU A 44 48.399 -27.752 -59.380 1.00 20.03 H new ATOM 0 HD22 LEU A 44 48.631 -27.866 -57.619 1.00 20.03 H new ATOM 0 HD23 LEU A 44 49.390 -29.062 -58.697 1.00 20.03 H new ATOM 642 N SER A 45 47.790 -33.455 -56.220 1.00 12.43 N ATOM 643 CA SER A 45 47.776 -34.352 -55.070 1.00 63.15 C ATOM 644 C SER A 45 48.370 -35.710 -55.434 1.00 53.34 C ATOM 645 O SER A 45 48.463 -36.082 -56.604 1.00 42.54 O ATOM 646 CB SER A 45 46.348 -34.530 -54.552 1.00 51.40 C ATOM 647 OG SER A 45 46.232 -34.083 -53.212 1.00 45.32 O ATOM 0 H SER A 45 47.261 -33.792 -57.025 1.00 12.43 H new ATOM 0 HA SER A 45 48.386 -33.906 -54.285 1.00 63.15 H new ATOM 0 HB2 SER A 45 45.656 -33.974 -55.185 1.00 51.40 H new ATOM 0 HB3 SER A 45 46.064 -35.580 -54.614 1.00 51.40 H new ATOM 0 HG SER A 45 45.310 -34.206 -52.905 1.00 45.32 H new ATOM 653 N PRO A 46 48.781 -36.469 -54.408 1.00 40.01 N ATOM 654 CA PRO A 46 49.372 -37.798 -54.593 1.00 43.53 C ATOM 655 C PRO A 46 48.352 -38.825 -55.072 1.00 13.43 C ATOM 656 O PRO A 46 47.499 -39.272 -54.305 1.00 35.14 O ATOM 657 CB PRO A 46 49.879 -38.159 -53.195 1.00 11.53 C ATOM 658 CG PRO A 46 49.023 -37.368 -52.266 1.00 72.51 C ATOM 659 CD PRO A 46 48.700 -36.089 -52.988 1.00 21.24 C ATOM 0 HA PRO A 46 50.151 -37.795 -55.356 1.00 43.53 H new ATOM 0 HB2 PRO A 46 49.787 -39.228 -53.004 1.00 11.53 H new ATOM 0 HB3 PRO A 46 50.932 -37.904 -53.077 1.00 11.53 H new ATOM 0 HG2 PRO A 46 48.114 -37.914 -52.013 1.00 72.51 H new ATOM 0 HG3 PRO A 46 49.545 -37.167 -51.330 1.00 72.51 H new ATOM 0 HD2 PRO A 46 47.708 -35.720 -52.727 1.00 21.24 H new ATOM 0 HD3 PRO A 46 49.409 -35.299 -52.742 1.00 21.24 H new ATOM 667 N THR A 47 48.445 -39.196 -56.345 1.00 15.20 N ATOM 668 CA THR A 47 47.529 -40.170 -56.926 1.00 1.32 C ATOM 669 C THR A 47 47.936 -40.525 -58.351 1.00 41.13 C ATOM 670 O THR A 47 48.949 -40.041 -58.857 1.00 65.41 O ATOM 671 CB THR A 47 46.081 -39.645 -56.933 1.00 51.22 C ATOM 672 OG1 THR A 47 45.187 -40.679 -57.359 1.00 30.33 O ATOM 673 CG2 THR A 47 45.946 -38.441 -57.854 1.00 24.14 C ATOM 0 H THR A 47 49.145 -38.837 -56.994 1.00 15.20 H new ATOM 0 HA THR A 47 47.580 -41.063 -56.303 1.00 1.32 H new ATOM 0 HB THR A 47 45.825 -39.338 -55.919 1.00 51.22 H new ATOM 0 HG1 THR A 47 44.268 -40.338 -57.359 1.00 30.33 H new ATOM 0 HG21 THR A 47 44.915 -38.088 -57.842 1.00 24.14 H new ATOM 0 HG22 THR A 47 46.606 -37.644 -57.511 1.00 24.14 H new ATOM 0 HG23 THR A 47 46.220 -38.727 -58.869 1.00 24.14 H new ATOM 681 N HIS A 48 47.140 -41.372 -58.996 1.00 33.14 N ATOM 682 CA HIS A 48 47.417 -41.791 -60.365 1.00 1.01 C ATOM 683 C HIS A 48 46.193 -41.591 -61.253 1.00 13.41 C ATOM 684 O HIS A 48 45.066 -41.881 -60.849 1.00 43.43 O ATOM 685 CB HIS A 48 47.849 -43.258 -60.395 1.00 15.55 C ATOM 686 CG HIS A 48 48.048 -43.795 -61.778 1.00 72.40 C ATOM 687 ND1 HIS A 48 47.484 -44.976 -62.215 1.00 43.41 N ATOM 688 CD2 HIS A 48 48.752 -43.306 -62.825 1.00 64.21 C ATOM 689 CE1 HIS A 48 47.835 -45.190 -63.471 1.00 10.14 C ATOM 690 NE2 HIS A 48 48.604 -44.191 -63.865 1.00 23.24 N ATOM 0 H HIS A 48 46.298 -41.782 -58.592 1.00 33.14 H new ATOM 0 HA HIS A 48 48.228 -41.173 -60.750 1.00 1.01 H new ATOM 0 HB2 HIS A 48 48.778 -43.366 -59.835 1.00 15.55 H new ATOM 0 HB3 HIS A 48 47.097 -43.860 -59.885 1.00 15.55 H new ATOM 0 HD2 HIS A 48 49.324 -42.390 -62.840 1.00 64.21 H new ATOM 0 HE1 HIS A 48 47.543 -46.038 -64.073 1.00 10.14 H new ATOM 0 HE2 HIS A 48 49.020 -44.093 -64.791 1.00 23.24 H new ATOM 698 N PHE A 49 46.421 -41.092 -62.464 1.00 30.34 N ATOM 699 CA PHE A 49 45.336 -40.851 -63.408 1.00 64.41 C ATOM 700 C PHE A 49 45.738 -41.277 -64.817 1.00 41.45 C ATOM 701 O PHE A 49 46.812 -40.920 -65.304 1.00 34.41 O ATOM 702 CB PHE A 49 44.945 -39.372 -63.402 1.00 21.25 C ATOM 703 CG PHE A 49 46.045 -38.463 -62.934 1.00 25.23 C ATOM 704 CD1 PHE A 49 47.054 -38.072 -63.799 1.00 63.53 C ATOM 705 CD2 PHE A 49 46.071 -38.000 -61.628 1.00 42.21 C ATOM 706 CE1 PHE A 49 48.068 -37.236 -63.372 1.00 42.31 C ATOM 707 CE2 PHE A 49 47.082 -37.163 -61.196 1.00 1.45 C ATOM 708 CZ PHE A 49 48.083 -36.781 -62.068 1.00 75.11 C ATOM 0 H PHE A 49 47.347 -40.847 -62.814 1.00 30.34 H new ATOM 0 HA PHE A 49 44.478 -41.447 -63.097 1.00 64.41 H new ATOM 0 HB2 PHE A 49 44.646 -39.079 -64.409 1.00 21.25 H new ATOM 0 HB3 PHE A 49 44.075 -39.237 -62.759 1.00 21.25 H new ATOM 0 HD1 PHE A 49 47.048 -38.425 -64.820 1.00 63.53 H new ATOM 0 HD2 PHE A 49 45.293 -38.297 -60.941 1.00 42.21 H new ATOM 0 HE1 PHE A 49 48.848 -36.939 -64.057 1.00 42.31 H new ATOM 0 HE2 PHE A 49 47.090 -36.807 -60.176 1.00 1.45 H new ATOM 0 HZ PHE A 49 48.875 -36.129 -61.731 1.00 75.11 H new ATOM 718 N LYS A 50 44.868 -42.041 -65.469 1.00 24.44 N ATOM 719 CA LYS A 50 45.130 -42.516 -66.822 1.00 74.13 C ATOM 720 C LYS A 50 43.918 -42.291 -67.721 1.00 71.01 C ATOM 721 O LYS A 50 42.813 -42.742 -67.416 1.00 21.04 O ATOM 722 CB LYS A 50 45.494 -44.002 -66.802 1.00 60.33 C ATOM 723 CG LYS A 50 45.751 -44.584 -68.182 1.00 23.15 C ATOM 724 CD LYS A 50 45.007 -45.894 -68.382 1.00 4.21 C ATOM 725 CE LYS A 50 45.753 -46.818 -69.332 1.00 74.34 C ATOM 726 NZ LYS A 50 46.246 -48.042 -68.643 1.00 31.43 N ATOM 0 H LYS A 50 43.975 -42.345 -65.082 1.00 24.44 H new ATOM 0 HA LYS A 50 45.969 -41.948 -67.223 1.00 74.13 H new ATOM 0 HB2 LYS A 50 46.383 -44.142 -66.187 1.00 60.33 H new ATOM 0 HB3 LYS A 50 44.687 -44.559 -66.327 1.00 60.33 H new ATOM 0 HG2 LYS A 50 45.441 -43.868 -68.943 1.00 23.15 H new ATOM 0 HG3 LYS A 50 46.820 -44.748 -68.315 1.00 23.15 H new ATOM 0 HD2 LYS A 50 44.875 -46.389 -67.420 1.00 4.21 H new ATOM 0 HD3 LYS A 50 44.011 -45.692 -68.776 1.00 4.21 H new ATOM 0 HE2 LYS A 50 45.095 -47.104 -70.152 1.00 74.34 H new ATOM 0 HE3 LYS A 50 46.596 -46.284 -69.771 1.00 74.34 H new ATOM 0 HZ1 LYS A 50 46.749 -48.645 -69.325 1.00 31.43 H new ATOM 0 HZ2 LYS A 50 46.894 -47.771 -67.876 1.00 31.43 H new ATOM 0 HZ3 LYS A 50 45.440 -48.566 -68.246 1.00 31.43 H new ATOM 740 N LEU A 51 44.132 -41.593 -68.831 1.00 12.43 N ATOM 741 CA LEU A 51 43.057 -41.309 -69.775 1.00 70.14 C ATOM 742 C LEU A 51 43.439 -41.753 -71.184 1.00 34.52 C ATOM 743 O LEU A 51 44.407 -41.257 -71.761 1.00 32.54 O ATOM 744 CB LEU A 51 42.728 -39.815 -69.771 1.00 64.11 C ATOM 745 CG LEU A 51 41.802 -39.328 -70.886 1.00 65.34 C ATOM 746 CD1 LEU A 51 40.803 -38.317 -70.347 1.00 1.10 C ATOM 747 CD2 LEU A 51 42.611 -38.726 -72.026 1.00 61.22 C ATOM 0 H LEU A 51 45.040 -41.213 -69.099 1.00 12.43 H new ATOM 0 HA LEU A 51 42.176 -41.869 -69.463 1.00 70.14 H new ATOM 0 HB2 LEU A 51 42.272 -39.567 -68.813 1.00 64.11 H new ATOM 0 HB3 LEU A 51 43.663 -39.258 -69.833 1.00 64.11 H new ATOM 0 HG LEU A 51 41.248 -40.184 -71.272 1.00 65.34 H new ATOM 0 HD11 LEU A 51 40.153 -37.982 -71.155 1.00 1.10 H new ATOM 0 HD12 LEU A 51 40.201 -38.781 -69.566 1.00 1.10 H new ATOM 0 HD13 LEU A 51 41.338 -37.462 -69.933 1.00 1.10 H new ATOM 0 HD21 LEU A 51 41.936 -38.385 -72.811 1.00 61.22 H new ATOM 0 HD22 LEU A 51 43.191 -37.882 -71.654 1.00 61.22 H new ATOM 0 HD23 LEU A 51 43.286 -39.480 -72.431 1.00 61.22 H new ATOM 759 N ILE A 52 42.670 -42.689 -71.732 1.00 5.11 N ATOM 760 CA ILE A 52 42.926 -43.197 -73.074 1.00 24.11 C ATOM 761 C ILE A 52 41.676 -43.109 -73.943 1.00 4.12 C ATOM 762 O ILE A 52 40.658 -43.733 -73.648 1.00 1.01 O ATOM 763 CB ILE A 52 43.412 -44.658 -73.039 1.00 60.24 C ATOM 764 CG1 ILE A 52 42.390 -45.541 -72.320 1.00 63.31 C ATOM 765 CG2 ILE A 52 44.770 -44.749 -72.360 1.00 63.01 C ATOM 766 CD1 ILE A 52 41.581 -46.413 -73.254 1.00 64.54 C ATOM 0 H ILE A 52 41.866 -43.110 -71.267 1.00 5.11 H new ATOM 0 HA ILE A 52 43.709 -42.572 -73.504 1.00 24.11 H new ATOM 0 HB ILE A 52 43.516 -45.015 -74.063 1.00 60.24 H new ATOM 0 HG12 ILE A 52 42.911 -46.176 -71.603 1.00 63.31 H new ATOM 0 HG13 ILE A 52 41.712 -44.907 -71.750 1.00 63.31 H new ATOM 0 HG21 ILE A 52 45.100 -45.788 -72.343 1.00 63.01 H new ATOM 0 HG22 ILE A 52 45.493 -44.148 -72.911 1.00 63.01 H new ATOM 0 HG23 ILE A 52 44.692 -44.377 -71.339 1.00 63.01 H new ATOM 0 HD11 ILE A 52 40.877 -47.011 -72.675 1.00 64.54 H new ATOM 0 HD12 ILE A 52 41.032 -45.784 -73.955 1.00 64.54 H new ATOM 0 HD13 ILE A 52 42.250 -47.073 -73.806 1.00 64.54 H new ATOM 778 N ASN A 53 41.762 -42.331 -75.017 1.00 5.54 N ATOM 779 CA ASN A 53 40.638 -42.161 -75.930 1.00 63.52 C ATOM 780 C ASN A 53 40.930 -42.814 -77.278 1.00 41.43 C ATOM 781 O ASN A 53 41.921 -42.491 -77.934 1.00 52.11 O ATOM 782 CB ASN A 53 40.332 -40.675 -76.126 1.00 21.24 C ATOM 783 CG ASN A 53 41.575 -39.812 -76.033 1.00 43.31 C ATOM 784 OD1 ASN A 53 42.160 -39.435 -77.049 1.00 31.01 O ATOM 785 ND2 ASN A 53 41.985 -39.494 -74.811 1.00 23.24 N ATOM 0 H ASN A 53 42.599 -41.808 -75.276 1.00 5.54 H new ATOM 0 HA ASN A 53 39.768 -42.648 -75.490 1.00 63.52 H new ATOM 0 HB2 ASN A 53 39.863 -40.529 -77.099 1.00 21.24 H new ATOM 0 HB3 ASN A 53 39.612 -40.353 -75.374 1.00 21.24 H new ATOM 0 HD21 ASN A 53 42.816 -38.915 -74.686 1.00 23.24 H new ATOM 0 HD22 ASN A 53 41.469 -39.828 -73.997 1.00 23.24 H new ATOM 792 N ASP A 54 40.061 -43.732 -77.685 1.00 53.35 N ATOM 793 CA ASP A 54 40.223 -44.429 -78.956 1.00 44.52 C ATOM 794 C ASP A 54 39.848 -43.523 -80.125 1.00 13.43 C ATOM 795 O ASP A 54 40.624 -43.351 -81.064 1.00 51.14 O ATOM 796 CB ASP A 54 39.367 -45.695 -78.981 1.00 31.41 C ATOM 797 CG ASP A 54 40.178 -46.948 -78.713 1.00 51.03 C ATOM 798 OD1 ASP A 54 40.887 -47.404 -79.635 1.00 14.51 O ATOM 799 OD2 ASP A 54 40.103 -47.473 -77.583 1.00 24.25 O ATOM 0 H ASP A 54 39.237 -44.011 -77.153 1.00 53.35 H new ATOM 0 HA ASP A 54 41.272 -44.707 -79.058 1.00 44.52 H new ATOM 0 HB2 ASP A 54 38.577 -45.611 -78.235 1.00 31.41 H new ATOM 0 HB3 ASP A 54 38.880 -45.782 -79.952 1.00 31.41 H new ATOM 804 N SER A 55 38.652 -42.946 -80.059 1.00 73.33 N ATOM 805 CA SER A 55 38.171 -42.062 -81.114 1.00 53.12 C ATOM 806 C SER A 55 38.326 -42.715 -82.484 1.00 21.50 C ATOM 807 O SER A 55 38.612 -43.909 -82.586 1.00 42.25 O ATOM 808 CB SER A 55 38.930 -40.734 -81.081 1.00 52.00 C ATOM 809 OG SER A 55 38.038 -39.635 -81.152 1.00 1.12 O ATOM 0 H SER A 55 37.999 -43.075 -79.286 1.00 73.33 H new ATOM 0 HA SER A 55 37.112 -41.872 -80.939 1.00 53.12 H new ATOM 0 HB2 SER A 55 39.518 -40.670 -80.166 1.00 52.00 H new ATOM 0 HB3 SER A 55 39.631 -40.692 -81.914 1.00 52.00 H new ATOM 0 HG SER A 55 38.547 -38.798 -81.127 1.00 1.12 H new ATOM 815 N HIS A 56 38.135 -41.925 -83.535 1.00 42.51 N ATOM 816 CA HIS A 56 38.254 -42.425 -84.900 1.00 44.10 C ATOM 817 C HIS A 56 38.003 -41.310 -85.911 1.00 65.22 C ATOM 818 O HIS A 56 36.929 -40.709 -85.934 1.00 45.45 O ATOM 819 CB HIS A 56 37.270 -43.572 -85.133 1.00 44.30 C ATOM 820 CG HIS A 56 37.857 -44.719 -85.897 1.00 3.25 C ATOM 821 ND1 HIS A 56 37.172 -45.395 -86.883 1.00 71.24 N ATOM 822 CD2 HIS A 56 39.074 -45.307 -85.814 1.00 54.04 C ATOM 823 CE1 HIS A 56 37.941 -46.351 -87.374 1.00 74.11 C ATOM 824 NE2 HIS A 56 39.100 -46.319 -86.743 1.00 3.53 N ATOM 0 H HIS A 56 37.897 -40.935 -83.468 1.00 42.51 H new ATOM 0 HA HIS A 56 39.270 -42.794 -85.038 1.00 44.10 H new ATOM 0 HB2 HIS A 56 36.911 -43.934 -84.169 1.00 44.30 H new ATOM 0 HB3 HIS A 56 36.403 -43.192 -85.673 1.00 44.30 H new ATOM 0 HD2 HIS A 56 39.874 -45.032 -85.143 1.00 54.04 H new ATOM 0 HE1 HIS A 56 37.668 -47.041 -88.158 1.00 74.11 H new ATOM 0 HE2 HIS A 56 39.887 -46.944 -86.917 1.00 3.53 H new ATOM 1069 N THR A 75 32.309 -48.500 -76.073 1.00 42.02 N ATOM 1070 CA THR A 75 32.989 -47.260 -75.721 1.00 12.15 C ATOM 1071 C THR A 75 34.316 -47.131 -76.459 1.00 50.02 C ATOM 1072 O THR A 75 34.719 -48.033 -77.195 1.00 54.51 O ATOM 1073 CB THR A 75 33.247 -47.172 -74.205 1.00 24.55 C ATOM 1074 OG1 THR A 75 34.454 -47.869 -73.872 1.00 74.14 O ATOM 1075 CG2 THR A 75 32.083 -47.762 -73.422 1.00 45.12 C ATOM 0 HA THR A 75 32.331 -46.444 -76.018 1.00 12.15 H new ATOM 0 HB THR A 75 33.349 -46.120 -73.937 1.00 24.55 H new ATOM 0 HG1 THR A 75 34.784 -47.555 -73.004 1.00 74.14 H new ATOM 0 HG21 THR A 75 32.288 -47.688 -72.354 1.00 45.12 H new ATOM 0 HG22 THR A 75 31.172 -47.211 -73.655 1.00 45.12 H new ATOM 0 HG23 THR A 75 31.954 -48.809 -73.695 1.00 45.12 H new ATOM 1083 N HIS A 76 34.993 -46.005 -76.258 1.00 50.21 N ATOM 1084 CA HIS A 76 36.277 -45.759 -76.905 1.00 0.21 C ATOM 1085 C HIS A 76 37.259 -45.110 -75.934 1.00 20.32 C ATOM 1086 O HIS A 76 38.449 -45.427 -75.934 1.00 72.11 O ATOM 1087 CB HIS A 76 36.091 -44.866 -78.132 1.00 60.33 C ATOM 1088 CG HIS A 76 36.117 -45.617 -79.428 1.00 54.11 C ATOM 1089 ND1 HIS A 76 35.791 -46.953 -79.530 1.00 42.04 N ATOM 1090 CD2 HIS A 76 36.430 -45.210 -80.681 1.00 32.54 C ATOM 1091 CE1 HIS A 76 35.905 -47.336 -80.790 1.00 31.35 C ATOM 1092 NE2 HIS A 76 36.291 -46.297 -81.508 1.00 74.42 N ATOM 0 H HIS A 76 34.674 -45.249 -75.652 1.00 50.21 H new ATOM 0 HA HIS A 76 36.686 -46.719 -77.222 1.00 0.21 H new ATOM 0 HB2 HIS A 76 35.141 -44.338 -78.046 1.00 60.33 H new ATOM 0 HB3 HIS A 76 36.876 -44.110 -78.144 1.00 60.33 H new ATOM 0 HD1 HIS A 76 35.507 -47.552 -78.755 1.00 42.04 H new ATOM 0 HD2 HIS A 76 36.733 -44.216 -80.975 1.00 32.54 H new ATOM 0 HE1 HIS A 76 35.715 -48.330 -81.168 1.00 31.35 H new ATOM 1100 N PHE A 77 36.753 -44.201 -75.108 1.00 2.34 N ATOM 1101 CA PHE A 77 37.586 -43.506 -74.133 1.00 21.23 C ATOM 1102 C PHE A 77 37.235 -43.938 -72.712 1.00 12.42 C ATOM 1103 O PHE A 77 36.071 -44.190 -72.398 1.00 3.40 O ATOM 1104 CB PHE A 77 37.419 -41.992 -74.274 1.00 51.10 C ATOM 1105 CG PHE A 77 37.409 -41.265 -72.960 1.00 11.41 C ATOM 1106 CD1 PHE A 77 38.564 -41.162 -72.201 1.00 15.10 C ATOM 1107 CD2 PHE A 77 36.244 -40.684 -72.483 1.00 65.12 C ATOM 1108 CE1 PHE A 77 38.558 -40.493 -70.991 1.00 71.14 C ATOM 1109 CE2 PHE A 77 36.233 -40.014 -71.275 1.00 11.33 C ATOM 1110 CZ PHE A 77 37.391 -39.919 -70.527 1.00 74.13 C ATOM 0 H PHE A 77 35.770 -43.928 -75.094 1.00 2.34 H new ATOM 0 HA PHE A 77 38.626 -43.769 -74.328 1.00 21.23 H new ATOM 0 HB2 PHE A 77 38.229 -41.601 -74.890 1.00 51.10 H new ATOM 0 HB3 PHE A 77 36.488 -41.785 -74.802 1.00 51.10 H new ATOM 0 HD1 PHE A 77 39.479 -41.610 -72.559 1.00 15.10 H new ATOM 0 HD2 PHE A 77 35.335 -40.756 -73.062 1.00 65.12 H new ATOM 0 HE1 PHE A 77 39.465 -40.419 -70.409 1.00 71.14 H new ATOM 0 HE2 PHE A 77 35.319 -39.564 -70.915 1.00 11.33 H new ATOM 0 HZ PHE A 77 37.383 -39.397 -69.582 1.00 74.13 H new ATOM 1120 N ARG A 78 38.249 -44.021 -71.857 1.00 42.32 N ATOM 1121 CA ARG A 78 38.049 -44.423 -70.470 1.00 72.24 C ATOM 1122 C ARG A 78 38.940 -43.612 -69.535 1.00 22.04 C ATOM 1123 O ARG A 78 40.111 -43.369 -69.831 1.00 12.41 O ATOM 1124 CB ARG A 78 38.340 -45.916 -70.303 1.00 41.30 C ATOM 1125 CG ARG A 78 39.774 -46.215 -69.897 1.00 40.43 C ATOM 1126 CD ARG A 78 40.158 -47.649 -70.225 1.00 43.02 C ATOM 1127 NE ARG A 78 39.365 -48.615 -69.469 1.00 44.40 N ATOM 1128 CZ ARG A 78 39.508 -49.931 -69.580 1.00 43.53 C ATOM 1129 NH1 ARG A 78 40.409 -50.435 -70.412 1.00 41.12 N ATOM 1130 NH2 ARG A 78 38.749 -50.745 -68.858 1.00 44.12 N ATOM 0 H ARG A 78 39.218 -43.815 -72.101 1.00 42.32 H new ATOM 0 HA ARG A 78 37.008 -44.231 -70.208 1.00 72.24 H new ATOM 0 HB2 ARG A 78 37.665 -46.327 -69.552 1.00 41.30 H new ATOM 0 HB3 ARG A 78 38.123 -46.427 -71.241 1.00 41.30 H new ATOM 0 HG2 ARG A 78 40.449 -45.530 -70.410 1.00 40.43 H new ATOM 0 HG3 ARG A 78 39.895 -46.040 -68.828 1.00 40.43 H new ATOM 0 HD2 ARG A 78 40.023 -47.825 -71.292 1.00 43.02 H new ATOM 0 HD3 ARG A 78 41.216 -47.800 -70.008 1.00 43.02 H new ATOM 0 HE ARG A 78 38.663 -48.260 -68.820 1.00 44.40 H new ATOM 0 HH11 ARG A 78 40.994 -49.812 -70.969 1.00 41.12 H new ATOM 0 HH12 ARG A 78 40.517 -51.446 -70.495 1.00 41.12 H new ATOM 0 HH21 ARG A 78 38.055 -50.360 -68.217 1.00 44.12 H new ATOM 0 HH22 ARG A 78 38.859 -51.755 -68.944 1.00 44.12 H new ATOM 1144 N LEU A 79 38.379 -43.196 -68.405 1.00 1.12 N ATOM 1145 CA LEU A 79 39.122 -42.411 -67.425 1.00 25.30 C ATOM 1146 C LEU A 79 39.248 -43.166 -66.105 1.00 41.23 C ATOM 1147 O LEU A 79 38.248 -43.476 -65.460 1.00 14.14 O ATOM 1148 CB LEU A 79 38.434 -41.065 -67.192 1.00 65.04 C ATOM 1149 CG LEU A 79 39.354 -39.892 -66.851 1.00 54.43 C ATOM 1150 CD1 LEU A 79 38.541 -38.698 -66.375 1.00 53.32 C ATOM 1151 CD2 LEU A 79 40.372 -40.301 -65.797 1.00 13.42 C ATOM 0 H LEU A 79 37.412 -43.389 -68.144 1.00 1.12 H new ATOM 0 HA LEU A 79 40.123 -42.237 -67.820 1.00 25.30 H new ATOM 0 HB2 LEU A 79 37.868 -40.809 -68.088 1.00 65.04 H new ATOM 0 HB3 LEU A 79 37.713 -41.183 -66.383 1.00 65.04 H new ATOM 0 HG LEU A 79 39.892 -39.603 -67.754 1.00 54.43 H new ATOM 0 HD11 LEU A 79 39.212 -37.873 -66.137 1.00 53.32 H new ATOM 0 HD12 LEU A 79 37.852 -38.390 -67.162 1.00 53.32 H new ATOM 0 HD13 LEU A 79 37.976 -38.974 -65.485 1.00 53.32 H new ATOM 0 HD21 LEU A 79 41.018 -39.454 -65.567 1.00 13.42 H new ATOM 0 HD22 LEU A 79 39.852 -40.617 -64.893 1.00 13.42 H new ATOM 0 HD23 LEU A 79 40.976 -41.126 -66.175 1.00 13.42 H new ATOM 1163 N GLU A 80 40.484 -43.456 -65.711 1.00 11.15 N ATOM 1164 CA GLU A 80 40.739 -44.173 -64.467 1.00 4.23 C ATOM 1165 C GLU A 80 41.661 -43.369 -63.555 1.00 4.43 C ATOM 1166 O GLU A 80 42.615 -42.741 -64.015 1.00 2.11 O ATOM 1167 CB GLU A 80 41.359 -45.541 -64.759 1.00 3.13 C ATOM 1168 CG GLU A 80 40.531 -46.395 -65.703 1.00 70.34 C ATOM 1169 CD GLU A 80 40.715 -47.881 -65.460 1.00 11.44 C ATOM 1170 OE1 GLU A 80 41.818 -48.280 -65.033 1.00 64.33 O ATOM 1171 OE2 GLU A 80 39.754 -48.643 -65.695 1.00 63.32 O ATOM 0 H GLU A 80 41.323 -43.206 -66.234 1.00 11.15 H new ATOM 0 HA GLU A 80 39.786 -44.315 -63.957 1.00 4.23 H new ATOM 0 HB2 GLU A 80 42.351 -45.397 -65.188 1.00 3.13 H new ATOM 0 HB3 GLU A 80 41.493 -46.078 -63.820 1.00 3.13 H new ATOM 0 HG2 GLU A 80 39.478 -46.140 -65.588 1.00 70.34 H new ATOM 0 HG3 GLU A 80 40.805 -46.162 -66.732 1.00 70.34 H new ATOM 1178 N VAL A 81 41.369 -43.392 -62.258 1.00 61.01 N ATOM 1179 CA VAL A 81 42.171 -42.666 -61.280 1.00 60.34 C ATOM 1180 C VAL A 81 42.283 -43.445 -59.975 1.00 21.13 C ATOM 1181 O VAL A 81 41.276 -43.827 -59.377 1.00 50.33 O ATOM 1182 CB VAL A 81 41.576 -41.276 -60.987 1.00 33.41 C ATOM 1183 CG1 VAL A 81 40.135 -41.200 -61.469 1.00 41.41 C ATOM 1184 CG2 VAL A 81 41.667 -40.961 -59.502 1.00 30.05 C ATOM 0 H VAL A 81 40.583 -43.906 -61.860 1.00 61.01 H new ATOM 0 HA VAL A 81 43.164 -42.543 -61.713 1.00 60.34 H new ATOM 0 HB VAL A 81 42.156 -40.529 -61.530 1.00 33.41 H new ATOM 0 HG11 VAL A 81 39.731 -40.211 -61.254 1.00 41.41 H new ATOM 0 HG12 VAL A 81 40.101 -41.380 -62.544 1.00 41.41 H new ATOM 0 HG13 VAL A 81 39.539 -41.955 -60.956 1.00 41.41 H new ATOM 0 HG21 VAL A 81 41.242 -39.975 -59.312 1.00 30.05 H new ATOM 0 HG22 VAL A 81 41.113 -41.710 -58.937 1.00 30.05 H new ATOM 0 HG23 VAL A 81 42.712 -40.972 -59.191 1.00 30.05 H new ATOM 1194 N THR A 82 43.516 -43.678 -59.535 1.00 32.41 N ATOM 1195 CA THR A 82 43.761 -44.412 -58.300 1.00 34.41 C ATOM 1196 C THR A 82 44.533 -43.561 -57.298 1.00 71.43 C ATOM 1197 O THR A 82 45.687 -43.204 -57.533 1.00 1.30 O ATOM 1198 CB THR A 82 44.545 -45.712 -58.565 1.00 13.35 C ATOM 1199 OG1 THR A 82 43.815 -46.549 -59.469 1.00 11.34 O ATOM 1200 CG2 THR A 82 44.802 -46.462 -57.267 1.00 24.14 C ATOM 0 H THR A 82 44.361 -43.369 -60.016 1.00 32.41 H new ATOM 0 HA THR A 82 42.786 -44.663 -57.883 1.00 34.41 H new ATOM 0 HB THR A 82 45.504 -45.448 -59.010 1.00 13.35 H new ATOM 0 HG1 THR A 82 44.321 -47.372 -59.633 1.00 11.34 H new ATOM 0 HG21 THR A 82 45.357 -47.376 -57.479 1.00 24.14 H new ATOM 0 HG22 THR A 82 45.383 -45.833 -56.592 1.00 24.14 H new ATOM 0 HG23 THR A 82 43.851 -46.715 -56.799 1.00 24.14 H new ATOM 1208 N SER A 83 43.889 -43.241 -56.181 1.00 11.24 N ATOM 1209 CA SER A 83 44.515 -42.429 -55.144 1.00 10.41 C ATOM 1210 C SER A 83 44.789 -43.259 -53.894 1.00 34.51 C ATOM 1211 O SER A 83 43.873 -43.578 -53.135 1.00 25.35 O ATOM 1212 CB SER A 83 43.623 -41.236 -54.792 1.00 61.34 C ATOM 1213 OG SER A 83 42.552 -41.112 -55.712 1.00 44.43 O ATOM 0 H SER A 83 42.934 -43.531 -55.970 1.00 11.24 H new ATOM 0 HA SER A 83 45.466 -42.062 -55.530 1.00 10.41 H new ATOM 0 HB2 SER A 83 43.228 -41.358 -53.783 1.00 61.34 H new ATOM 0 HB3 SER A 83 44.216 -40.321 -54.794 1.00 61.34 H new ATOM 0 HG SER A 83 42.172 -40.211 -55.652 1.00 44.43 H new ATOM 1219 N ASP A 84 46.054 -43.607 -53.688 1.00 0.35 N ATOM 1220 CA ASP A 84 46.450 -44.400 -52.530 1.00 2.24 C ATOM 1221 C ASP A 84 45.910 -45.822 -52.635 1.00 34.43 C ATOM 1222 O ASP A 84 46.022 -46.610 -51.696 1.00 75.30 O ATOM 1223 CB ASP A 84 45.950 -43.745 -51.241 1.00 4.10 C ATOM 1224 CG ASP A 84 47.085 -43.279 -50.350 1.00 64.33 C ATOM 1225 OD1 ASP A 84 47.684 -44.130 -49.660 1.00 5.21 O ATOM 1226 OD2 ASP A 84 47.374 -42.064 -50.343 1.00 21.01 O ATOM 0 H ASP A 84 46.823 -43.353 -54.308 1.00 0.35 H new ATOM 0 HA ASP A 84 47.539 -44.445 -52.507 1.00 2.24 H new ATOM 0 HB2 ASP A 84 45.316 -42.894 -51.491 1.00 4.10 H new ATOM 0 HB3 ASP A 84 45.330 -44.455 -50.693 1.00 4.10 H new ATOM 1231 N ALA A 85 45.322 -46.144 -53.783 1.00 3.52 N ATOM 1232 CA ALA A 85 44.765 -47.471 -54.011 1.00 21.03 C ATOM 1233 C ALA A 85 43.944 -47.935 -52.812 1.00 51.15 C ATOM 1234 O ALA A 85 44.423 -48.705 -51.980 1.00 33.31 O ATOM 1235 CB ALA A 85 45.877 -48.466 -54.308 1.00 70.12 C ATOM 0 H ALA A 85 45.219 -45.503 -54.570 1.00 3.52 H new ATOM 0 HA ALA A 85 44.101 -47.416 -54.874 1.00 21.03 H new ATOM 0 HB1 ALA A 85 45.447 -49.453 -54.476 1.00 70.12 H new ATOM 0 HB2 ALA A 85 46.420 -48.150 -55.199 1.00 70.12 H new ATOM 0 HB3 ALA A 85 46.563 -48.509 -53.462 1.00 70.12 H new ATOM 1241 N PHE A 86 42.705 -47.461 -52.731 1.00 2.33 N ATOM 1242 CA PHE A 86 41.818 -47.826 -51.633 1.00 12.14 C ATOM 1243 C PHE A 86 40.458 -47.150 -51.784 1.00 42.13 C ATOM 1244 O PHE A 86 40.258 -46.023 -51.331 1.00 31.04 O ATOM 1245 CB PHE A 86 42.445 -47.440 -50.292 1.00 3.53 C ATOM 1246 CG PHE A 86 42.714 -48.614 -49.395 1.00 61.20 C ATOM 1247 CD1 PHE A 86 41.705 -49.512 -49.086 1.00 51.02 C ATOM 1248 CD2 PHE A 86 43.976 -48.821 -48.862 1.00 10.15 C ATOM 1249 CE1 PHE A 86 41.950 -50.593 -48.261 1.00 35.13 C ATOM 1250 CE2 PHE A 86 44.227 -49.901 -48.036 1.00 13.32 C ATOM 1251 CZ PHE A 86 43.212 -50.788 -47.736 1.00 22.51 C ATOM 0 H PHE A 86 42.293 -46.824 -53.412 1.00 2.33 H new ATOM 0 HA PHE A 86 41.673 -48.906 -51.661 1.00 12.14 H new ATOM 0 HB2 PHE A 86 43.381 -46.912 -50.476 1.00 3.53 H new ATOM 0 HB3 PHE A 86 41.782 -46.744 -49.777 1.00 3.53 H new ATOM 0 HD1 PHE A 86 40.716 -49.365 -49.495 1.00 51.02 H new ATOM 0 HD2 PHE A 86 44.773 -48.130 -49.095 1.00 10.15 H new ATOM 0 HE1 PHE A 86 41.155 -51.285 -48.027 1.00 35.13 H new ATOM 0 HE2 PHE A 86 45.215 -50.051 -47.626 1.00 13.32 H new ATOM 0 HZ PHE A 86 43.405 -51.633 -47.092 1.00 22.51 H new ATOM 1261 N LYS A 87 39.526 -47.846 -52.426 1.00 64.34 N ATOM 1262 CA LYS A 87 38.185 -47.316 -52.639 1.00 31.12 C ATOM 1263 C LYS A 87 37.402 -47.275 -51.330 1.00 65.30 C ATOM 1264 O LYS A 87 37.253 -48.292 -50.653 1.00 52.32 O ATOM 1265 CB LYS A 87 37.435 -48.166 -53.667 1.00 42.02 C ATOM 1266 CG LYS A 87 36.626 -47.348 -54.658 1.00 53.23 C ATOM 1267 CD LYS A 87 35.463 -46.643 -53.981 1.00 13.42 C ATOM 1268 CE LYS A 87 34.472 -47.637 -53.396 1.00 72.41 C ATOM 1269 NZ LYS A 87 33.082 -47.373 -53.860 1.00 34.22 N ATOM 0 H LYS A 87 39.675 -48.780 -52.808 1.00 64.34 H new ATOM 0 HA LYS A 87 38.280 -46.298 -53.018 1.00 31.12 H new ATOM 0 HB2 LYS A 87 38.153 -48.777 -54.214 1.00 42.02 H new ATOM 0 HB3 LYS A 87 36.768 -48.850 -53.143 1.00 42.02 H new ATOM 0 HG2 LYS A 87 37.272 -46.611 -55.135 1.00 53.23 H new ATOM 0 HG3 LYS A 87 36.249 -47.999 -55.446 1.00 53.23 H new ATOM 0 HD2 LYS A 87 35.840 -45.995 -53.190 1.00 13.42 H new ATOM 0 HD3 LYS A 87 34.955 -46.003 -54.702 1.00 13.42 H new ATOM 0 HE2 LYS A 87 34.763 -48.649 -53.678 1.00 72.41 H new ATOM 0 HE3 LYS A 87 34.507 -47.587 -52.308 1.00 72.41 H new ATOM 0 HZ1 LYS A 87 32.437 -48.072 -53.439 1.00 34.22 H new ATOM 0 HZ2 LYS A 87 32.795 -46.417 -53.569 1.00 34.22 H new ATOM 0 HZ3 LYS A 87 33.042 -47.446 -54.897 1.00 34.22 H new ATOM 1283 N GLY A 88 36.904 -46.093 -50.980 1.00 73.42 N ATOM 1284 CA GLY A 88 36.142 -45.943 -49.754 1.00 75.24 C ATOM 1285 C GLY A 88 34.999 -44.958 -49.899 1.00 75.34 C ATOM 1286 O GLY A 88 33.829 -45.334 -49.802 1.00 4.54 O ATOM 0 H GLY A 88 37.015 -45.237 -51.523 1.00 73.42 H new ATOM 0 HA2 GLY A 88 35.746 -46.913 -49.455 1.00 75.24 H new ATOM 0 HA3 GLY A 88 36.805 -45.610 -48.956 1.00 75.24 H new ATOM 1290 N LEU A 89 35.335 -43.694 -50.132 1.00 31.34 N ATOM 1291 CA LEU A 89 34.327 -42.651 -50.289 1.00 5.13 C ATOM 1292 C LEU A 89 33.671 -42.731 -51.663 1.00 52.41 C ATOM 1293 O LEU A 89 34.229 -43.305 -52.598 1.00 64.04 O ATOM 1294 CB LEU A 89 34.958 -41.271 -50.091 1.00 65.55 C ATOM 1295 CG LEU A 89 36.135 -40.934 -51.008 1.00 61.40 C ATOM 1296 CD1 LEU A 89 35.636 -40.452 -52.361 1.00 44.42 C ATOM 1297 CD2 LEU A 89 37.031 -39.887 -50.363 1.00 14.22 C ATOM 0 H LEU A 89 36.297 -43.367 -50.216 1.00 31.34 H new ATOM 0 HA LEU A 89 33.559 -42.804 -49.531 1.00 5.13 H new ATOM 0 HB2 LEU A 89 34.185 -40.516 -50.233 1.00 65.55 H new ATOM 0 HB3 LEU A 89 35.294 -41.192 -49.057 1.00 65.55 H new ATOM 0 HG LEU A 89 36.722 -41.839 -51.162 1.00 61.40 H new ATOM 0 HD11 LEU A 89 36.487 -40.217 -53.000 1.00 44.42 H new ATOM 0 HD12 LEU A 89 35.037 -41.234 -52.828 1.00 44.42 H new ATOM 0 HD13 LEU A 89 35.026 -39.559 -52.227 1.00 44.42 H new ATOM 0 HD21 LEU A 89 37.863 -39.660 -51.030 1.00 14.22 H new ATOM 0 HD22 LEU A 89 36.456 -38.980 -50.178 1.00 14.22 H new ATOM 0 HD23 LEU A 89 37.417 -40.270 -49.419 1.00 14.22 H new ATOM 1309 N THR A 90 32.481 -42.148 -51.780 1.00 23.33 N ATOM 1310 CA THR A 90 31.749 -42.152 -53.040 1.00 33.24 C ATOM 1311 C THR A 90 32.631 -41.681 -54.190 1.00 72.00 C ATOM 1312 O THR A 90 32.994 -40.506 -54.267 1.00 74.41 O ATOM 1313 CB THR A 90 30.499 -41.255 -52.965 1.00 52.04 C ATOM 1314 OG1 THR A 90 30.887 -39.879 -52.893 1.00 3.33 O ATOM 1315 CG2 THR A 90 29.648 -41.611 -51.756 1.00 32.51 C ATOM 0 H THR A 90 32.004 -41.667 -51.017 1.00 23.33 H new ATOM 0 HA THR A 90 31.439 -43.181 -53.223 1.00 33.24 H new ATOM 0 HB THR A 90 29.908 -41.419 -53.866 1.00 52.04 H new ATOM 0 HG1 THR A 90 31.738 -39.754 -53.363 1.00 3.33 H new ATOM 0 HG21 THR A 90 28.771 -40.964 -51.725 1.00 32.51 H new ATOM 0 HG22 THR A 90 29.329 -42.651 -51.829 1.00 32.51 H new ATOM 0 HG23 THR A 90 30.233 -41.474 -50.846 1.00 32.51 H new ATOM 1323 N LEU A 91 32.973 -42.603 -55.083 1.00 73.11 N ATOM 1324 CA LEU A 91 33.813 -42.282 -56.232 1.00 13.53 C ATOM 1325 C LEU A 91 33.207 -41.145 -57.048 1.00 55.23 C ATOM 1326 O LEU A 91 33.918 -40.413 -57.737 1.00 72.33 O ATOM 1327 CB LEU A 91 33.998 -43.517 -57.115 1.00 12.23 C ATOM 1328 CG LEU A 91 32.750 -44.013 -57.845 1.00 55.23 C ATOM 1329 CD1 LEU A 91 33.131 -44.707 -59.143 1.00 63.52 C ATOM 1330 CD2 LEU A 91 31.946 -44.949 -56.954 1.00 3.53 C ATOM 0 H LEU A 91 32.682 -43.579 -55.034 1.00 73.11 H new ATOM 0 HA LEU A 91 34.786 -41.960 -55.861 1.00 13.53 H new ATOM 0 HB2 LEU A 91 34.765 -43.297 -57.857 1.00 12.23 H new ATOM 0 HB3 LEU A 91 34.378 -44.329 -56.495 1.00 12.23 H new ATOM 0 HG LEU A 91 32.128 -43.151 -58.087 1.00 55.23 H new ATOM 0 HD11 LEU A 91 32.230 -45.053 -59.649 1.00 63.52 H new ATOM 0 HD12 LEU A 91 33.662 -44.007 -59.788 1.00 63.52 H new ATOM 0 HD13 LEU A 91 33.775 -45.559 -58.925 1.00 63.52 H new ATOM 0 HD21 LEU A 91 31.061 -45.292 -57.491 1.00 3.53 H new ATOM 0 HD22 LEU A 91 32.560 -45.807 -56.680 1.00 3.53 H new ATOM 0 HD23 LEU A 91 31.640 -44.419 -56.052 1.00 3.53 H new ATOM 1342 N VAL A 92 31.888 -41.001 -56.965 1.00 13.43 N ATOM 1343 CA VAL A 92 31.186 -39.951 -57.693 1.00 53.31 C ATOM 1344 C VAL A 92 31.737 -38.574 -57.340 1.00 10.11 C ATOM 1345 O VAL A 92 31.684 -37.646 -58.147 1.00 43.31 O ATOM 1346 CB VAL A 92 29.674 -39.977 -57.398 1.00 62.53 C ATOM 1347 CG1 VAL A 92 29.070 -41.307 -57.824 1.00 64.02 C ATOM 1348 CG2 VAL A 92 29.415 -39.713 -55.923 1.00 13.10 C ATOM 0 H VAL A 92 31.284 -41.599 -56.401 1.00 13.43 H new ATOM 0 HA VAL A 92 31.345 -40.142 -58.754 1.00 53.31 H new ATOM 0 HB VAL A 92 29.195 -39.186 -57.975 1.00 62.53 H new ATOM 0 HG11 VAL A 92 28.002 -41.307 -57.608 1.00 64.02 H new ATOM 0 HG12 VAL A 92 29.224 -41.451 -58.893 1.00 64.02 H new ATOM 0 HG13 VAL A 92 29.551 -42.117 -57.276 1.00 64.02 H new ATOM 0 HG21 VAL A 92 28.342 -39.735 -55.732 1.00 13.10 H new ATOM 0 HG22 VAL A 92 29.906 -40.480 -55.324 1.00 13.10 H new ATOM 0 HG23 VAL A 92 29.811 -38.734 -55.654 1.00 13.10 H new ATOM 1358 N LYS A 93 32.267 -38.448 -56.128 1.00 12.01 N ATOM 1359 CA LYS A 93 32.831 -37.185 -55.666 1.00 75.03 C ATOM 1360 C LYS A 93 34.097 -36.839 -56.442 1.00 42.43 C ATOM 1361 O LYS A 93 34.242 -35.725 -56.948 1.00 33.43 O ATOM 1362 CB LYS A 93 33.141 -37.258 -54.169 1.00 73.25 C ATOM 1363 CG LYS A 93 33.938 -36.072 -53.655 1.00 24.51 C ATOM 1364 CD LYS A 93 35.416 -36.405 -53.534 1.00 42.24 C ATOM 1365 CE LYS A 93 36.114 -35.489 -52.541 1.00 3.40 C ATOM 1366 NZ LYS A 93 36.412 -36.185 -51.259 1.00 10.03 N ATOM 0 H LYS A 93 32.318 -39.206 -55.447 1.00 12.01 H new ATOM 0 HA LYS A 93 32.094 -36.401 -55.840 1.00 75.03 H new ATOM 0 HB2 LYS A 93 32.204 -37.323 -53.615 1.00 73.25 H new ATOM 0 HB3 LYS A 93 33.696 -38.174 -53.966 1.00 73.25 H new ATOM 0 HG2 LYS A 93 33.809 -35.226 -54.329 1.00 24.51 H new ATOM 0 HG3 LYS A 93 33.552 -35.767 -52.682 1.00 24.51 H new ATOM 0 HD2 LYS A 93 35.532 -37.442 -53.218 1.00 42.24 H new ATOM 0 HD3 LYS A 93 35.892 -36.315 -54.511 1.00 42.24 H new ATOM 0 HE2 LYS A 93 37.042 -35.120 -52.978 1.00 3.40 H new ATOM 0 HE3 LYS A 93 35.486 -34.620 -52.345 1.00 3.40 H new ATOM 0 HZ1 LYS A 93 36.933 -35.543 -50.628 1.00 10.03 H new ATOM 0 HZ2 LYS A 93 35.522 -36.471 -50.804 1.00 10.03 H new ATOM 0 HZ3 LYS A 93 36.990 -37.028 -51.448 1.00 10.03 H new ATOM 1380 N ARG A 94 35.011 -37.799 -56.534 1.00 30.22 N ATOM 1381 CA ARG A 94 36.265 -37.595 -57.249 1.00 21.13 C ATOM 1382 C ARG A 94 36.015 -37.401 -58.741 1.00 54.23 C ATOM 1383 O ARG A 94 36.563 -36.488 -59.360 1.00 64.41 O ATOM 1384 CB ARG A 94 37.202 -38.784 -57.028 1.00 73.45 C ATOM 1385 CG ARG A 94 38.069 -38.655 -55.787 1.00 40.20 C ATOM 1386 CD ARG A 94 39.499 -38.279 -56.143 1.00 70.41 C ATOM 1387 NE ARG A 94 39.637 -36.852 -56.421 1.00 61.32 N ATOM 1388 CZ ARG A 94 40.771 -36.288 -56.822 1.00 31.11 C ATOM 1389 NH1 ARG A 94 41.859 -37.026 -56.991 1.00 22.41 N ATOM 1390 NH2 ARG A 94 40.818 -34.983 -57.055 1.00 14.41 N ATOM 0 H ARG A 94 34.907 -38.726 -56.122 1.00 30.22 H new ATOM 0 HA ARG A 94 36.735 -36.693 -56.857 1.00 21.13 H new ATOM 0 HB2 ARG A 94 36.608 -39.695 -56.952 1.00 73.45 H new ATOM 0 HB3 ARG A 94 37.846 -38.895 -57.900 1.00 73.45 H new ATOM 0 HG2 ARG A 94 37.647 -37.899 -55.124 1.00 40.20 H new ATOM 0 HG3 ARG A 94 38.065 -39.597 -55.239 1.00 40.20 H new ATOM 0 HD2 ARG A 94 40.161 -38.554 -55.322 1.00 70.41 H new ATOM 0 HD3 ARG A 94 39.818 -38.851 -57.015 1.00 70.41 H new ATOM 0 HE ARG A 94 38.818 -36.256 -56.301 1.00 61.32 H new ATOM 0 HH11 ARG A 94 41.827 -38.030 -56.813 1.00 22.41 H new ATOM 0 HH12 ARG A 94 42.728 -36.590 -57.299 1.00 22.41 H new ATOM 0 HH21 ARG A 94 39.983 -34.412 -56.926 1.00 14.41 H new ATOM 0 HH22 ARG A 94 41.689 -34.551 -57.363 1.00 14.41 H new ATOM 1404 N HIS A 95 35.183 -38.265 -59.314 1.00 34.00 N ATOM 1405 CA HIS A 95 34.859 -38.189 -60.734 1.00 42.52 C ATOM 1406 C HIS A 95 34.158 -36.874 -61.062 1.00 13.24 C ATOM 1407 O HIS A 95 34.320 -36.329 -62.153 1.00 1.31 O ATOM 1408 CB HIS A 95 33.975 -39.367 -61.142 1.00 32.33 C ATOM 1409 CG HIS A 95 33.388 -39.230 -62.513 1.00 11.12 C ATOM 1410 ND1 HIS A 95 32.090 -39.583 -62.815 1.00 34.03 N ATOM 1411 CD2 HIS A 95 33.930 -38.773 -63.666 1.00 12.00 C ATOM 1412 CE1 HIS A 95 31.859 -39.351 -64.095 1.00 12.15 C ATOM 1413 NE2 HIS A 95 32.959 -38.859 -64.634 1.00 4.42 N ATOM 0 H HIS A 95 34.721 -39.026 -58.816 1.00 34.00 H new ATOM 0 HA HIS A 95 35.792 -38.233 -61.296 1.00 42.52 H new ATOM 0 HB2 HIS A 95 34.563 -40.284 -61.098 1.00 32.33 H new ATOM 0 HB3 HIS A 95 33.166 -39.471 -60.419 1.00 32.33 H new ATOM 0 HD1 HIS A 95 31.413 -39.964 -62.153 1.00 34.03 H new ATOM 0 HD2 HIS A 95 34.938 -38.409 -63.800 1.00 12.00 H new ATOM 0 HE1 HIS A 95 30.929 -39.533 -64.612 1.00 12.15 H new ATOM 1421 N GLN A 96 33.378 -36.372 -60.110 1.00 12.33 N ATOM 1422 CA GLN A 96 32.651 -35.122 -60.299 1.00 12.04 C ATOM 1423 C GLN A 96 33.592 -33.925 -60.204 1.00 73.35 C ATOM 1424 O GLN A 96 33.390 -32.909 -60.871 1.00 35.31 O ATOM 1425 CB GLN A 96 31.537 -34.993 -59.258 1.00 70.10 C ATOM 1426 CG GLN A 96 30.828 -33.649 -59.289 1.00 53.14 C ATOM 1427 CD GLN A 96 29.318 -33.786 -59.326 1.00 64.23 C ATOM 1428 OE1 GLN A 96 28.667 -33.355 -60.279 1.00 23.35 O ATOM 1429 NE2 GLN A 96 28.753 -34.389 -58.287 1.00 70.20 N ATOM 0 H GLN A 96 33.233 -36.811 -59.201 1.00 12.33 H new ATOM 0 HA GLN A 96 32.209 -35.135 -61.295 1.00 12.04 H new ATOM 0 HB2 GLN A 96 30.805 -35.784 -59.421 1.00 70.10 H new ATOM 0 HB3 GLN A 96 31.959 -35.149 -58.265 1.00 70.10 H new ATOM 0 HG2 GLN A 96 31.115 -33.071 -58.411 1.00 53.14 H new ATOM 0 HG3 GLN A 96 31.160 -33.088 -60.163 1.00 53.14 H new ATOM 0 HE21 GLN A 96 29.331 -34.731 -57.519 1.00 70.20 H new ATOM 0 HE22 GLN A 96 27.741 -34.511 -58.256 1.00 70.20 H new ATOM 1438 N LEU A 97 34.620 -34.052 -59.373 1.00 40.31 N ATOM 1439 CA LEU A 97 35.593 -32.980 -59.191 1.00 50.02 C ATOM 1440 C LEU A 97 36.320 -32.677 -60.498 1.00 12.14 C ATOM 1441 O LEU A 97 36.372 -31.528 -60.938 1.00 20.20 O ATOM 1442 CB LEU A 97 36.604 -33.361 -58.108 1.00 50.33 C ATOM 1443 CG LEU A 97 36.119 -33.237 -56.664 1.00 15.04 C ATOM 1444 CD1 LEU A 97 37.007 -34.045 -55.731 1.00 30.42 C ATOM 1445 CD2 LEU A 97 36.082 -31.777 -56.236 1.00 44.13 C ATOM 0 H LEU A 97 34.802 -34.886 -58.815 1.00 40.31 H new ATOM 0 HA LEU A 97 35.056 -32.084 -58.879 1.00 50.02 H new ATOM 0 HB2 LEU A 97 36.917 -34.391 -58.278 1.00 50.33 H new ATOM 0 HB3 LEU A 97 37.488 -32.735 -58.228 1.00 50.33 H new ATOM 0 HG LEU A 97 35.107 -33.637 -56.606 1.00 15.04 H new ATOM 0 HD11 LEU A 97 36.646 -33.944 -54.707 1.00 30.42 H new ATOM 0 HD12 LEU A 97 36.982 -35.095 -56.023 1.00 30.42 H new ATOM 0 HD13 LEU A 97 38.031 -33.676 -55.793 1.00 30.42 H new ATOM 0 HD21 LEU A 97 35.734 -31.709 -55.205 1.00 44.13 H new ATOM 0 HD22 LEU A 97 37.082 -31.351 -56.310 1.00 44.13 H new ATOM 0 HD23 LEU A 97 35.403 -31.225 -56.885 1.00 44.13 H new ATOM 1457 N ILE A 98 36.877 -33.714 -61.113 1.00 22.31 N ATOM 1458 CA ILE A 98 37.598 -33.559 -62.370 1.00 73.14 C ATOM 1459 C ILE A 98 36.637 -33.534 -63.555 1.00 24.03 C ATOM 1460 O ILE A 98 36.889 -32.864 -64.557 1.00 33.41 O ATOM 1461 CB ILE A 98 38.620 -34.692 -62.577 1.00 22.11 C ATOM 1462 CG1 ILE A 98 37.911 -36.047 -62.621 1.00 31.13 C ATOM 1463 CG2 ILE A 98 39.665 -34.671 -61.471 1.00 41.53 C ATOM 1464 CD1 ILE A 98 38.851 -37.215 -62.816 1.00 65.51 C ATOM 0 H ILE A 98 36.843 -34.671 -60.761 1.00 22.31 H new ATOM 0 HA ILE A 98 38.128 -32.608 -62.314 1.00 73.14 H new ATOM 0 HB ILE A 98 39.124 -34.536 -63.531 1.00 22.11 H new ATOM 0 HG12 ILE A 98 37.357 -36.188 -61.693 1.00 31.13 H new ATOM 0 HG13 ILE A 98 37.181 -36.040 -63.430 1.00 31.13 H new ATOM 0 HG21 ILE A 98 40.380 -35.478 -61.631 1.00 41.53 H new ATOM 0 HG22 ILE A 98 40.188 -33.715 -61.483 1.00 41.53 H new ATOM 0 HG23 ILE A 98 39.176 -34.806 -60.506 1.00 41.53 H new ATOM 0 HD11 ILE A 98 38.279 -38.143 -62.837 1.00 65.51 H new ATOM 0 HD12 ILE A 98 39.387 -37.097 -63.758 1.00 65.51 H new ATOM 0 HD13 ILE A 98 39.566 -37.248 -61.994 1.00 65.51 H new ATOM 1476 N TYR A 99 35.536 -34.266 -63.432 1.00 21.43 N ATOM 1477 CA TYR A 99 34.537 -34.329 -64.492 1.00 45.02 C ATOM 1478 C TYR A 99 35.202 -34.379 -65.864 1.00 44.24 C ATOM 1479 O TYR A 99 34.751 -33.733 -66.809 1.00 63.24 O ATOM 1480 CB TYR A 99 33.600 -33.123 -64.411 1.00 3.22 C ATOM 1481 CG TYR A 99 34.319 -31.793 -64.454 1.00 23.42 C ATOM 1482 CD1 TYR A 99 34.773 -31.189 -63.288 1.00 24.22 C ATOM 1483 CD2 TYR A 99 34.544 -31.141 -65.660 1.00 34.03 C ATOM 1484 CE1 TYR A 99 35.430 -29.974 -63.322 1.00 22.31 C ATOM 1485 CE2 TYR A 99 35.201 -29.927 -65.703 1.00 53.35 C ATOM 1486 CZ TYR A 99 35.642 -29.347 -64.532 1.00 71.30 C ATOM 1487 OH TYR A 99 36.296 -28.137 -64.571 1.00 74.13 O ATOM 0 H TYR A 99 35.312 -34.825 -62.608 1.00 21.43 H new ATOM 0 HA TYR A 99 33.956 -35.241 -64.356 1.00 45.02 H new ATOM 0 HB2 TYR A 99 32.890 -33.169 -65.237 1.00 3.22 H new ATOM 0 HB3 TYR A 99 33.022 -33.184 -63.489 1.00 3.22 H new ATOM 0 HD1 TYR A 99 34.610 -31.678 -62.339 1.00 24.22 H new ATOM 0 HD2 TYR A 99 34.199 -31.591 -66.579 1.00 34.03 H new ATOM 0 HE1 TYR A 99 35.776 -29.518 -62.406 1.00 22.31 H new ATOM 0 HE2 TYR A 99 35.369 -29.434 -66.649 1.00 53.35 H new ATOM 0 HH TYR A 99 36.364 -27.832 -65.500 1.00 74.13 H new ATOM 1497 N GLY A 100 36.279 -35.152 -65.965 1.00 63.34 N ATOM 1498 CA GLY A 100 36.990 -35.274 -67.225 1.00 11.21 C ATOM 1499 C GLY A 100 36.216 -36.076 -68.252 1.00 40.01 C ATOM 1500 O GLY A 100 36.304 -35.811 -69.452 1.00 35.30 O ATOM 0 H GLY A 100 36.672 -35.696 -65.197 1.00 63.34 H new ATOM 0 HA2 GLY A 100 37.192 -34.279 -67.622 1.00 11.21 H new ATOM 0 HA3 GLY A 100 37.955 -35.749 -67.050 1.00 11.21 H new ATOM 1504 N LEU A 101 35.457 -37.060 -67.783 1.00 24.25 N ATOM 1505 CA LEU A 101 34.665 -37.906 -68.669 1.00 45.43 C ATOM 1506 C LEU A 101 33.757 -37.062 -69.558 1.00 33.13 C ATOM 1507 O LEU A 101 33.363 -35.955 -69.188 1.00 73.11 O ATOM 1508 CB LEU A 101 33.828 -38.891 -67.853 1.00 34.12 C ATOM 1509 CG LEU A 101 32.701 -39.599 -68.606 1.00 70.10 C ATOM 1510 CD1 LEU A 101 33.270 -40.573 -69.626 1.00 44.21 C ATOM 1511 CD2 LEU A 101 31.780 -40.321 -67.633 1.00 23.10 C ATOM 0 H LEU A 101 35.373 -37.292 -66.793 1.00 24.25 H new ATOM 0 HA LEU A 101 35.350 -38.464 -69.307 1.00 45.43 H new ATOM 0 HB2 LEU A 101 34.494 -39.649 -67.441 1.00 34.12 H new ATOM 0 HB3 LEU A 101 33.393 -38.355 -67.009 1.00 34.12 H new ATOM 0 HG LEU A 101 32.118 -38.847 -69.138 1.00 70.10 H new ATOM 0 HD11 LEU A 101 32.453 -41.067 -70.152 1.00 44.21 H new ATOM 0 HD12 LEU A 101 33.887 -40.031 -70.342 1.00 44.21 H new ATOM 0 HD13 LEU A 101 33.878 -41.320 -69.116 1.00 44.21 H new ATOM 0 HD21 LEU A 101 30.984 -40.819 -68.187 1.00 23.10 H new ATOM 0 HD22 LEU A 101 32.351 -41.062 -67.073 1.00 23.10 H new ATOM 0 HD23 LEU A 101 31.344 -39.600 -66.941 1.00 23.10 H new ATOM 1523 N LEU A 102 33.426 -37.593 -70.730 1.00 13.14 N ATOM 1524 CA LEU A 102 32.561 -36.890 -71.671 1.00 33.11 C ATOM 1525 C LEU A 102 33.255 -35.651 -72.227 1.00 73.05 C ATOM 1526 O LEU A 102 33.172 -34.568 -71.648 1.00 53.04 O ATOM 1527 CB LEU A 102 31.250 -36.492 -70.990 1.00 1.11 C ATOM 1528 CG LEU A 102 30.038 -36.331 -71.909 1.00 3.25 C ATOM 1529 CD1 LEU A 102 29.531 -37.689 -72.366 1.00 62.53 C ATOM 1530 CD2 LEU A 102 28.934 -35.557 -71.204 1.00 12.04 C ATOM 0 H LEU A 102 33.743 -38.508 -71.051 1.00 13.14 H new ATOM 0 HA LEU A 102 32.343 -37.564 -72.499 1.00 33.11 H new ATOM 0 HB2 LEU A 102 31.012 -37.243 -70.237 1.00 1.11 H new ATOM 0 HB3 LEU A 102 31.409 -35.551 -70.463 1.00 1.11 H new ATOM 0 HG LEU A 102 30.345 -35.766 -72.789 1.00 3.25 H new ATOM 0 HD11 LEU A 102 28.669 -37.555 -73.019 1.00 62.53 H new ATOM 0 HD12 LEU A 102 30.320 -38.208 -72.910 1.00 62.53 H new ATOM 0 HD13 LEU A 102 29.240 -38.280 -71.497 1.00 62.53 H new ATOM 0 HD21 LEU A 102 28.079 -35.452 -71.872 1.00 12.04 H new ATOM 0 HD22 LEU A 102 28.629 -36.095 -70.306 1.00 12.04 H new ATOM 0 HD23 LEU A 102 29.302 -34.569 -70.927 1.00 12.04 H new ATOM 1542 N SER A 103 33.937 -35.818 -73.356 1.00 23.03 N ATOM 1543 CA SER A 103 34.647 -34.714 -73.990 1.00 41.52 C ATOM 1544 C SER A 103 35.178 -35.125 -75.360 1.00 5.20 C ATOM 1545 O SER A 103 34.664 -34.694 -76.392 1.00 44.04 O ATOM 1546 CB SER A 103 35.802 -34.244 -73.103 1.00 35.44 C ATOM 1547 OG SER A 103 35.384 -33.211 -72.227 1.00 22.42 O ATOM 0 H SER A 103 34.013 -36.707 -73.850 1.00 23.03 H new ATOM 0 HA SER A 103 33.944 -33.892 -74.123 1.00 41.52 H new ATOM 0 HB2 SER A 103 36.185 -35.084 -72.523 1.00 35.44 H new ATOM 0 HB3 SER A 103 36.622 -33.887 -73.727 1.00 35.44 H new ATOM 0 HG SER A 103 34.544 -33.470 -71.793 1.00 22.42 H new ATOM 1553 N ASP A 104 36.211 -35.961 -75.360 1.00 51.33 N ATOM 1554 CA ASP A 104 36.813 -36.432 -76.602 1.00 73.12 C ATOM 1555 C ASP A 104 35.958 -37.523 -77.241 1.00 11.54 C ATOM 1556 O ASP A 104 35.781 -37.552 -78.458 1.00 14.41 O ATOM 1557 CB ASP A 104 38.224 -36.960 -76.342 1.00 22.45 C ATOM 1558 CG ASP A 104 38.910 -37.429 -77.610 1.00 21.55 C ATOM 1559 OD1 ASP A 104 38.622 -38.560 -78.057 1.00 4.41 O ATOM 1560 OD2 ASP A 104 39.734 -36.666 -78.155 1.00 71.10 O ATOM 0 H ASP A 104 36.649 -36.326 -74.514 1.00 51.33 H new ATOM 0 HA ASP A 104 36.870 -35.589 -77.291 1.00 73.12 H new ATOM 0 HB2 ASP A 104 38.822 -36.176 -75.878 1.00 22.45 H new ATOM 0 HB3 ASP A 104 38.175 -37.786 -75.632 1.00 22.45 H new ATOM 1565 N GLU A 105 35.432 -38.418 -76.410 1.00 40.51 N ATOM 1566 CA GLU A 105 34.598 -39.511 -76.895 1.00 14.31 C ATOM 1567 C GLU A 105 33.458 -38.982 -77.762 1.00 65.50 C ATOM 1568 O GLU A 105 33.000 -39.658 -78.683 1.00 70.25 O ATOM 1569 CB GLU A 105 34.030 -40.309 -75.719 1.00 43.12 C ATOM 1570 CG GLU A 105 32.737 -39.737 -75.163 1.00 3.03 C ATOM 1571 CD GLU A 105 32.485 -40.154 -73.727 1.00 21.22 C ATOM 1572 OE1 GLU A 105 33.204 -39.662 -72.832 1.00 22.42 O ATOM 1573 OE2 GLU A 105 31.570 -40.972 -73.498 1.00 72.10 O ATOM 0 H GLU A 105 35.569 -38.407 -75.399 1.00 40.51 H new ATOM 0 HA GLU A 105 35.221 -40.167 -77.503 1.00 14.31 H new ATOM 0 HB2 GLU A 105 33.855 -41.336 -76.039 1.00 43.12 H new ATOM 0 HB3 GLU A 105 34.773 -40.345 -74.923 1.00 43.12 H new ATOM 0 HG2 GLU A 105 32.771 -38.649 -75.221 1.00 3.03 H new ATOM 0 HG3 GLU A 105 31.903 -40.064 -75.784 1.00 3.03 H new ATOM 1580 N PHE A 106 33.006 -37.770 -77.460 1.00 32.23 N ATOM 1581 CA PHE A 106 31.919 -37.151 -78.210 1.00 3.24 C ATOM 1582 C PHE A 106 32.335 -36.891 -79.655 1.00 11.03 C ATOM 1583 O PHE A 106 31.543 -37.065 -80.582 1.00 3.44 O ATOM 1584 CB PHE A 106 31.496 -35.839 -77.545 1.00 74.23 C ATOM 1585 CG PHE A 106 30.008 -35.634 -77.518 1.00 31.42 C ATOM 1586 CD1 PHE A 106 29.202 -36.422 -76.712 1.00 12.25 C ATOM 1587 CD2 PHE A 106 29.416 -34.654 -78.298 1.00 34.33 C ATOM 1588 CE1 PHE A 106 27.833 -36.236 -76.685 1.00 55.11 C ATOM 1589 CE2 PHE A 106 28.047 -34.463 -78.275 1.00 72.51 C ATOM 1590 CZ PHE A 106 27.254 -35.255 -77.467 1.00 4.22 C ATOM 0 H PHE A 106 33.375 -37.197 -76.701 1.00 32.23 H new ATOM 0 HA PHE A 106 31.073 -37.839 -78.212 1.00 3.24 H new ATOM 0 HB2 PHE A 106 31.876 -35.819 -76.524 1.00 74.23 H new ATOM 0 HB3 PHE A 106 31.960 -35.007 -78.074 1.00 74.23 H new ATOM 0 HD1 PHE A 106 29.649 -37.190 -76.098 1.00 12.25 H new ATOM 0 HD2 PHE A 106 30.031 -34.032 -78.931 1.00 34.33 H new ATOM 0 HE1 PHE A 106 27.216 -36.857 -76.053 1.00 55.11 H new ATOM 0 HE2 PHE A 106 27.598 -33.696 -78.888 1.00 72.51 H new ATOM 0 HZ PHE A 106 26.184 -35.108 -77.447 1.00 4.22 H new ATOM 1600 N LYS A 107 33.583 -36.473 -79.839 1.00 74.01 N ATOM 1601 CA LYS A 107 34.106 -36.189 -81.170 1.00 21.10 C ATOM 1602 C LYS A 107 34.035 -37.427 -82.058 1.00 72.12 C ATOM 1603 O LYS A 107 34.029 -37.323 -83.284 1.00 63.34 O ATOM 1604 CB LYS A 107 35.552 -35.697 -81.077 1.00 63.44 C ATOM 1605 CG LYS A 107 36.314 -35.797 -82.388 1.00 54.30 C ATOM 1606 CD LYS A 107 37.552 -34.917 -82.381 1.00 43.35 C ATOM 1607 CE LYS A 107 37.846 -34.358 -83.765 1.00 42.22 C ATOM 1608 NZ LYS A 107 39.265 -33.926 -83.899 1.00 62.31 N ATOM 0 H LYS A 107 34.251 -36.323 -79.083 1.00 74.01 H new ATOM 0 HA LYS A 107 33.491 -35.408 -81.616 1.00 21.10 H new ATOM 0 HB2 LYS A 107 35.553 -34.659 -80.744 1.00 63.44 H new ATOM 0 HB3 LYS A 107 36.076 -36.276 -80.317 1.00 63.44 H new ATOM 0 HG2 LYS A 107 36.604 -36.833 -82.563 1.00 54.30 H new ATOM 0 HG3 LYS A 107 35.663 -35.504 -83.212 1.00 54.30 H new ATOM 0 HD2 LYS A 107 37.412 -34.096 -81.678 1.00 43.35 H new ATOM 0 HD3 LYS A 107 38.408 -35.494 -82.031 1.00 43.35 H new ATOM 0 HE2 LYS A 107 37.624 -35.115 -84.517 1.00 42.22 H new ATOM 0 HE3 LYS A 107 37.188 -33.511 -83.962 1.00 42.22 H new ATOM 0 HZ1 LYS A 107 39.425 -33.551 -84.856 1.00 62.31 H new ATOM 0 HZ2 LYS A 107 39.470 -33.185 -83.198 1.00 62.31 H new ATOM 0 HZ3 LYS A 107 39.892 -34.739 -83.736 1.00 62.31 H new ATOM 1622 N ALA A 108 33.979 -38.597 -81.431 1.00 31.51 N ATOM 1623 CA ALA A 108 33.904 -39.855 -82.165 1.00 2.33 C ATOM 1624 C ALA A 108 32.472 -40.375 -82.217 1.00 71.25 C ATOM 1625 O ALA A 108 32.027 -40.895 -83.240 1.00 24.41 O ATOM 1626 CB ALA A 108 34.821 -40.891 -81.532 1.00 3.44 C ATOM 0 H ALA A 108 33.984 -38.700 -80.416 1.00 31.51 H new ATOM 0 HA ALA A 108 34.234 -39.671 -83.188 1.00 2.33 H new ATOM 0 HB1 ALA A 108 34.755 -41.825 -82.090 1.00 3.44 H new ATOM 0 HB2 ALA A 108 35.849 -40.528 -81.552 1.00 3.44 H new ATOM 0 HB3 ALA A 108 34.517 -41.063 -80.499 1.00 3.44 H new ATOM 1632 N GLY A 109 31.754 -40.232 -81.108 1.00 34.03 N ATOM 1633 CA GLY A 109 30.379 -40.694 -81.049 1.00 50.30 C ATOM 1634 C GLY A 109 30.231 -41.976 -80.254 1.00 4.45 C ATOM 1635 O GLY A 109 29.238 -42.690 -80.392 1.00 72.32 O ATOM 0 H GLY A 109 32.100 -39.804 -80.249 1.00 34.03 H new ATOM 0 HA2 GLY A 109 29.758 -39.919 -80.601 1.00 50.30 H new ATOM 0 HA3 GLY A 109 30.009 -40.854 -82.062 1.00 50.30 H new ATOM 1639 N LEU A 110 31.222 -42.269 -79.419 1.00 22.31 N ATOM 1640 CA LEU A 110 31.199 -43.475 -78.599 1.00 25.53 C ATOM 1641 C LEU A 110 31.186 -43.124 -77.114 1.00 74.54 C ATOM 1642 O LEU A 110 31.862 -42.191 -76.680 1.00 32.41 O ATOM 1643 CB LEU A 110 32.411 -44.354 -78.915 1.00 71.23 C ATOM 1644 CG LEU A 110 32.641 -44.674 -80.393 1.00 13.51 C ATOM 1645 CD1 LEU A 110 31.316 -44.922 -81.097 1.00 61.45 C ATOM 1646 CD2 LEU A 110 33.403 -43.544 -81.070 1.00 62.23 C ATOM 0 H LEU A 110 32.051 -41.688 -79.292 1.00 22.31 H new ATOM 0 HA LEU A 110 30.287 -44.025 -78.832 1.00 25.53 H new ATOM 0 HB2 LEU A 110 33.303 -43.861 -78.527 1.00 71.23 H new ATOM 0 HB3 LEU A 110 32.305 -45.294 -78.373 1.00 71.23 H new ATOM 0 HG LEU A 110 33.241 -45.582 -80.460 1.00 13.51 H new ATOM 0 HD11 LEU A 110 31.499 -45.148 -82.147 1.00 61.45 H new ATOM 0 HD12 LEU A 110 30.807 -45.764 -80.628 1.00 61.45 H new ATOM 0 HD13 LEU A 110 30.691 -44.032 -81.021 1.00 61.45 H new ATOM 0 HD21 LEU A 110 33.558 -43.788 -82.121 1.00 62.23 H new ATOM 0 HD22 LEU A 110 32.829 -42.621 -80.993 1.00 62.23 H new ATOM 0 HD23 LEU A 110 34.369 -43.413 -80.582 1.00 62.23 H new ATOM 1658 N HIS A 111 30.412 -43.879 -76.340 1.00 65.42 N ATOM 1659 CA HIS A 111 30.313 -43.650 -74.903 1.00 52.22 C ATOM 1660 C HIS A 111 31.680 -43.773 -74.237 1.00 71.32 C ATOM 1661 O HIS A 111 32.704 -43.870 -74.913 1.00 13.30 O ATOM 1662 CB HIS A 111 29.334 -44.642 -74.274 1.00 3.34 C ATOM 1663 CG HIS A 111 28.341 -44.001 -73.354 1.00 31.12 C ATOM 1664 ND1 HIS A 111 28.438 -44.064 -71.980 1.00 1.23 N ATOM 1665 CD2 HIS A 111 27.226 -43.280 -73.618 1.00 62.21 C ATOM 1666 CE1 HIS A 111 27.425 -43.411 -71.439 1.00 3.34 C ATOM 1667 NE2 HIS A 111 26.675 -42.925 -72.411 1.00 62.24 N ATOM 0 H HIS A 111 29.845 -44.654 -76.684 1.00 65.42 H new ATOM 0 HA HIS A 111 29.943 -42.637 -74.746 1.00 52.22 H new ATOM 0 HB2 HIS A 111 28.798 -45.164 -75.067 1.00 3.34 H new ATOM 0 HB3 HIS A 111 29.897 -45.394 -73.721 1.00 3.34 H new ATOM 0 HD2 HIS A 111 26.841 -43.030 -74.596 1.00 62.21 H new ATOM 0 HE1 HIS A 111 27.241 -43.294 -70.381 1.00 3.34 H new ATOM 0 HE2 HIS A 111 25.825 -42.375 -72.286 1.00 62.24 H new ATOM 1675 N ALA A 112 31.688 -43.769 -72.908 1.00 52.22 N ATOM 1676 CA ALA A 112 32.928 -43.882 -72.151 1.00 44.43 C ATOM 1677 C ALA A 112 32.656 -44.291 -70.708 1.00 14.11 C ATOM 1678 O ALA A 112 31.533 -44.165 -70.218 1.00 13.24 O ATOM 1679 CB ALA A 112 33.694 -42.567 -72.194 1.00 33.24 C ATOM 0 H ALA A 112 30.849 -43.689 -72.333 1.00 52.22 H new ATOM 0 HA ALA A 112 33.536 -44.660 -72.612 1.00 44.43 H new ATOM 0 HB1 ALA A 112 34.618 -42.665 -71.625 1.00 33.24 H new ATOM 0 HB2 ALA A 112 33.930 -42.317 -73.228 1.00 33.24 H new ATOM 0 HB3 ALA A 112 33.083 -41.776 -71.760 1.00 33.24 H new ATOM 1685 N LEU A 113 33.688 -44.782 -70.032 1.00 64.11 N ATOM 1686 CA LEU A 113 33.560 -45.211 -68.644 1.00 31.13 C ATOM 1687 C LEU A 113 34.537 -44.456 -67.748 1.00 33.22 C ATOM 1688 O LEU A 113 35.616 -44.059 -68.186 1.00 20.22 O ATOM 1689 CB LEU A 113 33.805 -46.717 -68.530 1.00 12.33 C ATOM 1690 CG LEU A 113 35.134 -47.225 -69.088 1.00 45.45 C ATOM 1691 CD1 LEU A 113 36.037 -47.707 -67.963 1.00 72.35 C ATOM 1692 CD2 LEU A 113 34.898 -48.337 -70.100 1.00 20.04 C ATOM 0 H LEU A 113 34.624 -44.893 -70.423 1.00 64.11 H new ATOM 0 HA LEU A 113 32.546 -44.988 -68.313 1.00 31.13 H new ATOM 0 HB2 LEU A 113 33.745 -46.996 -67.478 1.00 12.33 H new ATOM 0 HB3 LEU A 113 32.996 -47.236 -69.044 1.00 12.33 H new ATOM 0 HG LEU A 113 35.632 -46.399 -69.596 1.00 45.45 H new ATOM 0 HD11 LEU A 113 36.978 -48.065 -68.380 1.00 72.35 H new ATOM 0 HD12 LEU A 113 36.234 -46.884 -67.276 1.00 72.35 H new ATOM 0 HD13 LEU A 113 35.547 -48.518 -67.425 1.00 72.35 H new ATOM 0 HD21 LEU A 113 35.855 -48.686 -70.487 1.00 20.04 H new ATOM 0 HD22 LEU A 113 34.378 -49.164 -69.617 1.00 20.04 H new ATOM 0 HD23 LEU A 113 34.291 -47.958 -70.922 1.00 20.04 H new ATOM 1704 N ALA A 114 34.151 -44.264 -66.491 1.00 11.43 N ATOM 1705 CA ALA A 114 34.994 -43.560 -65.532 1.00 62.41 C ATOM 1706 C ALA A 114 34.973 -44.251 -64.172 1.00 40.45 C ATOM 1707 O ALA A 114 33.909 -44.586 -63.653 1.00 61.30 O ATOM 1708 CB ALA A 114 34.547 -42.112 -65.398 1.00 73.41 C ATOM 0 H ALA A 114 33.260 -44.586 -66.113 1.00 11.43 H new ATOM 0 HA ALA A 114 36.018 -43.579 -65.904 1.00 62.41 H new ATOM 0 HB1 ALA A 114 35.186 -41.599 -64.679 1.00 73.41 H new ATOM 0 HB2 ALA A 114 34.621 -41.617 -66.366 1.00 73.41 H new ATOM 0 HB3 ALA A 114 33.514 -42.081 -65.053 1.00 73.41 H new ATOM 1714 N MET A 115 36.155 -44.460 -63.602 1.00 11.01 N ATOM 1715 CA MET A 115 36.271 -45.110 -62.302 1.00 31.23 C ATOM 1716 C MET A 115 37.388 -44.479 -61.476 1.00 75.40 C ATOM 1717 O MET A 115 38.548 -44.465 -61.889 1.00 33.30 O ATOM 1718 CB MET A 115 36.534 -46.607 -62.478 1.00 2.01 C ATOM 1719 CG MET A 115 37.752 -46.913 -63.335 1.00 33.11 C ATOM 1720 SD MET A 115 39.157 -47.492 -62.364 1.00 54.21 S ATOM 1721 CE MET A 115 38.990 -49.265 -62.551 1.00 61.35 C ATOM 0 H MET A 115 37.045 -44.189 -64.019 1.00 11.01 H new ATOM 0 HA MET A 115 35.329 -44.974 -61.770 1.00 31.23 H new ATOM 0 HB2 MET A 115 36.667 -47.062 -61.497 1.00 2.01 H new ATOM 0 HB3 MET A 115 35.657 -47.071 -62.929 1.00 2.01 H new ATOM 0 HG2 MET A 115 37.490 -47.670 -64.075 1.00 33.11 H new ATOM 0 HG3 MET A 115 38.040 -46.016 -63.884 1.00 33.11 H new ATOM 0 HE1 MET A 115 39.248 -49.756 -61.612 1.00 61.35 H new ATOM 0 HE2 MET A 115 37.961 -49.508 -62.817 1.00 61.35 H new ATOM 0 HE3 MET A 115 39.659 -49.613 -63.338 1.00 61.35 H new ATOM 1731 N THR A 116 37.030 -43.957 -60.307 1.00 25.24 N ATOM 1732 CA THR A 116 38.002 -43.324 -59.424 1.00 12.31 C ATOM 1733 C THR A 116 37.943 -43.921 -58.023 1.00 24.51 C ATOM 1734 O THR A 116 36.886 -43.953 -57.393 1.00 13.42 O ATOM 1735 CB THR A 116 37.769 -41.804 -59.331 1.00 43.24 C ATOM 1736 OG1 THR A 116 38.764 -41.206 -58.492 1.00 72.31 O ATOM 1737 CG2 THR A 116 36.384 -41.501 -58.780 1.00 3.12 C ATOM 0 H THR A 116 36.075 -43.960 -59.950 1.00 25.24 H new ATOM 0 HA THR A 116 38.987 -43.509 -59.854 1.00 12.31 H new ATOM 0 HB THR A 116 37.842 -41.386 -60.335 1.00 43.24 H new ATOM 0 HG1 THR A 116 38.447 -41.196 -57.565 1.00 72.31 H new ATOM 0 HG21 THR A 116 36.243 -40.422 -58.724 1.00 3.12 H new ATOM 0 HG22 THR A 116 35.629 -41.932 -59.437 1.00 3.12 H new ATOM 0 HG23 THR A 116 36.286 -41.932 -57.784 1.00 3.12 H new ATOM 1745 N THR A 117 39.087 -44.396 -57.539 1.00 2.35 N ATOM 1746 CA THR A 117 39.166 -44.993 -56.212 1.00 30.14 C ATOM 1747 C THR A 117 40.158 -44.244 -55.329 1.00 55.41 C ATOM 1748 O THR A 117 41.368 -44.302 -55.549 1.00 14.43 O ATOM 1749 CB THR A 117 39.581 -46.475 -56.286 1.00 53.33 C ATOM 1750 OG1 THR A 117 39.931 -46.952 -54.982 1.00 51.23 O ATOM 1751 CG2 THR A 117 40.757 -46.660 -57.233 1.00 21.34 C ATOM 0 H THR A 117 39.971 -44.379 -58.047 1.00 2.35 H new ATOM 0 HA THR A 117 38.170 -44.923 -55.775 1.00 30.14 H new ATOM 0 HB THR A 117 38.735 -47.048 -56.666 1.00 53.33 H new ATOM 0 HG1 THR A 117 40.192 -47.895 -55.038 1.00 51.23 H new ATOM 0 HG21 THR A 117 41.033 -47.714 -57.269 1.00 21.34 H new ATOM 0 HG22 THR A 117 40.477 -46.324 -58.231 1.00 21.34 H new ATOM 0 HG23 THR A 117 41.606 -46.075 -56.878 1.00 21.34 H new ATOM 1759 N LYS A 118 39.638 -43.540 -54.329 1.00 52.20 N ATOM 1760 CA LYS A 118 40.477 -42.779 -53.411 1.00 22.53 C ATOM 1761 C LYS A 118 40.175 -43.152 -51.963 1.00 1.54 C ATOM 1762 O LYS A 118 39.025 -43.405 -51.602 1.00 61.44 O ATOM 1763 CB LYS A 118 40.265 -41.278 -53.618 1.00 20.14 C ATOM 1764 CG LYS A 118 41.092 -40.412 -52.682 1.00 74.44 C ATOM 1765 CD LYS A 118 40.217 -39.692 -51.671 1.00 14.44 C ATOM 1766 CE LYS A 118 39.734 -38.352 -52.206 1.00 33.15 C ATOM 1767 NZ LYS A 118 40.838 -37.356 -52.284 1.00 14.42 N ATOM 0 H LYS A 118 38.639 -43.481 -54.134 1.00 52.20 H new ATOM 0 HA LYS A 118 41.518 -43.024 -53.621 1.00 22.53 H new ATOM 0 HB2 LYS A 118 40.512 -41.023 -54.649 1.00 20.14 H new ATOM 0 HB3 LYS A 118 39.209 -41.046 -53.477 1.00 20.14 H new ATOM 0 HG2 LYS A 118 41.820 -41.032 -52.159 1.00 74.44 H new ATOM 0 HG3 LYS A 118 41.655 -39.682 -53.263 1.00 74.44 H new ATOM 0 HD2 LYS A 118 39.359 -40.316 -51.421 1.00 14.44 H new ATOM 0 HD3 LYS A 118 40.777 -39.536 -50.749 1.00 14.44 H new ATOM 0 HE2 LYS A 118 39.300 -38.491 -53.196 1.00 33.15 H new ATOM 0 HE3 LYS A 118 38.943 -37.968 -51.562 1.00 33.15 H new ATOM 0 HZ1 LYS A 118 40.438 -36.397 -52.319 1.00 14.42 H new ATOM 0 HZ2 LYS A 118 41.447 -37.447 -51.446 1.00 14.42 H new ATOM 0 HZ3 LYS A 118 41.401 -37.528 -53.141 1.00 14.42 H new ATOM 1781 N THR A 119 41.215 -43.181 -51.134 1.00 52.15 N ATOM 1782 CA THR A 119 41.061 -43.521 -49.726 1.00 35.42 C ATOM 1783 C THR A 119 39.991 -42.659 -49.066 1.00 35.32 C ATOM 1784 O THR A 119 39.641 -41.583 -49.550 1.00 13.41 O ATOM 1785 CB THR A 119 42.385 -43.352 -48.959 1.00 24.04 C ATOM 1786 OG1 THR A 119 43.132 -42.260 -49.506 1.00 4.20 O ATOM 1787 CG2 THR A 119 43.216 -44.625 -49.025 1.00 51.13 C ATOM 0 H THR A 119 42.173 -42.973 -51.415 1.00 52.15 H new ATOM 0 HA THR A 119 40.757 -44.567 -49.685 1.00 35.42 H new ATOM 0 HB THR A 119 42.150 -43.144 -47.915 1.00 24.04 H new ATOM 0 HG1 THR A 119 43.972 -42.158 -49.012 1.00 4.20 H new ATOM 0 HG21 THR A 119 44.147 -44.481 -48.476 1.00 51.13 H new ATOM 0 HG22 THR A 119 42.656 -45.448 -48.581 1.00 51.13 H new ATOM 0 HG23 THR A 119 43.441 -44.859 -50.066 1.00 51.13 H new