USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 727 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 29 ASN : amide:sc= -2.29! K(o=-2.3!,f=-1) USER MOD Single : A 35 CYS SG : rot -71:sc= 0.499 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 140:sc= -0.383 USER MOD Single : A 48 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.0642) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 30:sc= 0.0109 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.696 USER MOD Single : A 61 GLN : amide:sc= -0.803 K(o=-0.8,f=-1.8) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -159:sc= -0.0707 (180deg=-0.374) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0591 USER MOD Single : A 93 MET CE :methyl 167:sc= -1.33 (180deg=-1.96) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 145:sc= 1.27 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 HIS : no HD1:sc= -2.43 K(o=-2.4,f=-4.3!) USER MOD Single : A 101 LYS NZ :NH3+ 155:sc= -0.0299 (180deg=-0.542) USER MOD Single : A 103 LYS NZ :NH3+ -157:sc= -0.114 (180deg=-0.486) USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 160:sc= -1.3 USER MOD Single : A 112 SER OG : rot -170:sc= -0.227 USER MOD Single : A 115 ASN : amide:sc= -0.43 X(o=-0.43,f=-0.19) USER MOD Single : A 116 THR OG1 : rot 51:sc= 0.00585 USER MOD ----------------------------------------------------------------- ATOM 471 N ASN A 29 -20.217 -4.118 -36.948 1.00 51.10 N ATOM 472 CA ASN A 29 -21.441 -3.326 -37.011 1.00 12.13 C ATOM 473 C ASN A 29 -22.073 -3.193 -35.629 1.00 10.13 C ATOM 474 O ASN A 29 -22.575 -4.167 -35.068 1.00 22.11 O ATOM 475 CB ASN A 29 -22.438 -3.964 -37.980 1.00 21.31 C ATOM 476 CG ASN A 29 -23.150 -2.936 -38.837 1.00 32.54 C ATOM 477 OD1 ASN A 29 -23.230 -3.076 -40.057 1.00 34.32 O ATOM 478 ND2 ASN A 29 -23.673 -1.895 -38.199 1.00 51.32 N ATOM 0 HA ASN A 29 -21.182 -2.330 -37.371 1.00 12.13 H new ATOM 0 HB2 ASN A 29 -21.913 -4.670 -38.624 1.00 21.31 H new ATOM 0 HB3 ASN A 29 -23.175 -4.535 -37.415 1.00 21.31 H new ATOM 0 HD21 ASN A 29 -24.165 -1.171 -38.722 1.00 51.32 H new ATOM 0 HD22 ASN A 29 -23.583 -1.820 -37.186 1.00 51.32 H new ATOM 485 N ARG A 30 -22.046 -1.981 -35.085 1.00 2.50 N ATOM 486 CA ARG A 30 -22.615 -1.719 -33.769 1.00 71.30 C ATOM 487 C ARG A 30 -23.290 -0.351 -33.730 1.00 43.22 C ATOM 488 O ARG A 30 -22.918 0.556 -34.476 1.00 31.12 O ATOM 489 CB ARG A 30 -21.528 -1.795 -32.695 1.00 33.40 C ATOM 490 CG ARG A 30 -20.237 -1.094 -33.085 1.00 71.00 C ATOM 491 CD ARG A 30 -19.581 -0.429 -31.885 1.00 42.43 C ATOM 492 NE ARG A 30 -20.295 0.774 -31.467 1.00 74.04 N ATOM 493 CZ ARG A 30 -20.145 1.958 -32.050 1.00 53.13 C ATOM 494 NH1 ARG A 30 -19.311 2.097 -33.071 1.00 2.01 N ATOM 495 NH2 ARG A 30 -20.831 3.006 -31.612 1.00 52.34 N ATOM 0 H ARG A 30 -21.635 -1.164 -35.536 1.00 2.50 H new ATOM 0 HA ARG A 30 -23.368 -2.481 -33.569 1.00 71.30 H new ATOM 0 HB2 ARG A 30 -21.908 -1.353 -31.774 1.00 33.40 H new ATOM 0 HB3 ARG A 30 -21.313 -2.842 -32.481 1.00 33.40 H new ATOM 0 HG2 ARG A 30 -19.548 -1.815 -33.524 1.00 71.00 H new ATOM 0 HG3 ARG A 30 -20.445 -0.345 -33.849 1.00 71.00 H new ATOM 0 HD2 ARG A 30 -19.543 -1.135 -31.055 1.00 42.43 H new ATOM 0 HD3 ARG A 30 -18.551 -0.172 -32.131 1.00 42.43 H new ATOM 0 HE ARG A 30 -20.945 0.701 -30.684 1.00 74.04 H new ATOM 0 HH11 ARG A 30 -18.782 1.294 -33.411 1.00 2.01 H new ATOM 0 HH12 ARG A 30 -19.198 3.007 -33.517 1.00 2.01 H new ATOM 0 HH21 ARG A 30 -21.474 2.903 -30.827 1.00 52.34 H new ATOM 0 HH22 ARG A 30 -20.715 3.915 -32.060 1.00 52.34 H new ATOM 509 N ILE A 31 -24.281 -0.210 -32.856 1.00 3.33 N ATOM 510 CA ILE A 31 -25.005 1.048 -32.719 1.00 74.43 C ATOM 511 C ILE A 31 -24.915 1.582 -31.295 1.00 31.21 C ATOM 512 O ILE A 31 -25.247 0.898 -30.326 1.00 2.32 O ATOM 513 CB ILE A 31 -26.488 0.887 -33.103 1.00 54.21 C ATOM 514 CG1 ILE A 31 -26.971 -0.528 -32.780 1.00 25.41 C ATOM 515 CG2 ILE A 31 -26.691 1.197 -34.579 1.00 3.25 C ATOM 516 CD1 ILE A 31 -28.444 -0.741 -33.049 1.00 64.54 C ATOM 0 H ILE A 31 -24.601 -0.951 -32.232 1.00 3.33 H new ATOM 0 HA ILE A 31 -24.536 1.758 -33.400 1.00 74.43 H new ATOM 0 HB ILE A 31 -27.077 1.594 -32.519 1.00 54.21 H new ATOM 0 HG12 ILE A 31 -26.396 -1.243 -33.369 1.00 25.41 H new ATOM 0 HG13 ILE A 31 -26.767 -0.742 -31.731 1.00 25.41 H new ATOM 0 HG21 ILE A 31 -27.744 1.079 -34.834 1.00 3.25 H new ATOM 0 HG22 ILE A 31 -26.382 2.222 -34.781 1.00 3.25 H new ATOM 0 HG23 ILE A 31 -26.093 0.512 -35.180 1.00 3.25 H new ATOM 0 HD11 ILE A 31 -28.715 -1.766 -32.797 1.00 64.54 H new ATOM 0 HD12 ILE A 31 -29.028 -0.051 -32.440 1.00 64.54 H new ATOM 0 HD13 ILE A 31 -28.651 -0.559 -34.104 1.00 64.54 H new ATOM 528 N PRO A 32 -24.456 2.836 -31.161 1.00 33.25 N ATOM 529 CA PRO A 32 -24.314 3.492 -29.858 1.00 65.50 C ATOM 530 C PRO A 32 -25.661 3.812 -29.219 1.00 40.32 C ATOM 531 O PRO A 32 -26.231 4.879 -29.450 1.00 30.04 O ATOM 532 CB PRO A 32 -23.560 4.781 -30.190 1.00 41.21 C ATOM 533 CG PRO A 32 -23.888 5.055 -31.618 1.00 61.31 C ATOM 534 CD PRO A 32 -24.043 3.709 -32.272 1.00 4.23 C ATOM 0 HA PRO A 32 -23.802 2.856 -29.136 1.00 65.50 H new ATOM 0 HB2 PRO A 32 -23.877 5.602 -29.547 1.00 41.21 H new ATOM 0 HB3 PRO A 32 -22.486 4.660 -30.047 1.00 41.21 H new ATOM 0 HG2 PRO A 32 -24.805 5.638 -31.703 1.00 61.31 H new ATOM 0 HG3 PRO A 32 -23.097 5.633 -32.096 1.00 61.31 H new ATOM 0 HD2 PRO A 32 -24.791 3.731 -33.065 1.00 4.23 H new ATOM 0 HD3 PRO A 32 -23.110 3.371 -32.723 1.00 4.23 H new ATOM 542 N VAL A 33 -26.166 2.881 -28.416 1.00 13.33 N ATOM 543 CA VAL A 33 -27.447 3.066 -27.743 1.00 72.32 C ATOM 544 C VAL A 33 -27.259 3.688 -26.364 1.00 23.34 C ATOM 545 O VAL A 33 -26.284 3.398 -25.669 1.00 62.41 O ATOM 546 CB VAL A 33 -28.200 1.730 -27.593 1.00 61.21 C ATOM 547 CG1 VAL A 33 -28.620 1.198 -28.955 1.00 42.14 C ATOM 548 CG2 VAL A 33 -27.339 0.714 -26.857 1.00 54.03 C ATOM 0 H VAL A 33 -25.708 1.992 -28.216 1.00 13.33 H new ATOM 0 HA VAL A 33 -28.037 3.740 -28.365 1.00 72.32 H new ATOM 0 HB VAL A 33 -29.101 1.904 -27.004 1.00 61.21 H new ATOM 0 HG11 VAL A 33 -29.150 0.254 -28.829 1.00 42.14 H new ATOM 0 HG12 VAL A 33 -29.275 1.920 -29.441 1.00 42.14 H new ATOM 0 HG13 VAL A 33 -27.736 1.038 -29.572 1.00 42.14 H new ATOM 0 HG21 VAL A 33 -27.886 -0.224 -26.760 1.00 54.03 H new ATOM 0 HG22 VAL A 33 -26.420 0.542 -27.417 1.00 54.03 H new ATOM 0 HG23 VAL A 33 -27.093 1.095 -25.866 1.00 54.03 H new ATOM 558 N ILE A 34 -28.196 4.543 -25.974 1.00 52.32 N ATOM 559 CA ILE A 34 -28.135 5.206 -24.677 1.00 21.22 C ATOM 560 C ILE A 34 -29.374 4.899 -23.843 1.00 71.22 C ATOM 561 O ILE A 34 -30.444 5.465 -24.071 1.00 74.04 O ATOM 562 CB ILE A 34 -27.997 6.732 -24.830 1.00 32.44 C ATOM 563 CG1 ILE A 34 -26.719 7.076 -25.597 1.00 15.21 C ATOM 564 CG2 ILE A 34 -27.998 7.403 -23.464 1.00 35.52 C ATOM 565 CD1 ILE A 34 -26.525 8.561 -25.811 1.00 31.01 C ATOM 0 H ILE A 34 -29.008 4.794 -26.538 1.00 52.32 H new ATOM 0 HA ILE A 34 -27.253 4.820 -24.167 1.00 21.22 H new ATOM 0 HB ILE A 34 -28.850 7.104 -25.397 1.00 32.44 H new ATOM 0 HG12 ILE A 34 -25.861 6.680 -25.054 1.00 15.21 H new ATOM 0 HG13 ILE A 34 -26.741 6.577 -26.566 1.00 15.21 H new ATOM 0 HG21 ILE A 34 -27.900 8.481 -23.588 1.00 35.52 H new ATOM 0 HG22 ILE A 34 -28.933 7.181 -22.950 1.00 35.52 H new ATOM 0 HG23 ILE A 34 -27.162 7.028 -22.874 1.00 35.52 H new ATOM 0 HD11 ILE A 34 -25.600 8.731 -26.361 1.00 31.01 H new ATOM 0 HD12 ILE A 34 -27.364 8.959 -26.381 1.00 31.01 H new ATOM 0 HD13 ILE A 34 -26.471 9.064 -24.845 1.00 31.01 H new ATOM 577 N CYS A 35 -29.223 4.001 -22.876 1.00 41.32 N ATOM 578 CA CYS A 35 -30.330 3.619 -22.006 1.00 44.24 C ATOM 579 C CYS A 35 -30.552 4.664 -20.918 1.00 43.22 C ATOM 580 O CYS A 35 -29.687 4.886 -20.072 1.00 23.31 O ATOM 581 CB CYS A 35 -30.060 2.255 -21.372 1.00 62.41 C ATOM 582 SG CYS A 35 -31.550 1.277 -21.061 1.00 64.02 S ATOM 0 H CYS A 35 -28.344 3.524 -22.674 1.00 41.32 H new ATOM 0 HA CYS A 35 -31.233 3.557 -22.614 1.00 44.24 H new ATOM 0 HB2 CYS A 35 -29.396 1.688 -22.024 1.00 62.41 H new ATOM 0 HB3 CYS A 35 -29.532 2.402 -20.430 1.00 62.41 H new ATOM 0 HG CYS A 35 -32.223 1.810 -20.085 1.00 64.02 H new ATOM 588 N GLU A 36 -31.717 5.305 -20.950 1.00 3.12 N ATOM 589 CA GLU A 36 -32.050 6.329 -19.967 1.00 72.10 C ATOM 590 C GLU A 36 -33.069 5.805 -18.959 1.00 74.40 C ATOM 591 O GLU A 36 -33.821 4.873 -19.247 1.00 12.54 O ATOM 592 CB GLU A 36 -32.600 7.576 -20.663 1.00 35.04 C ATOM 593 CG GLU A 36 -31.579 8.288 -21.533 1.00 24.34 C ATOM 594 CD GLU A 36 -32.216 9.263 -22.504 1.00 1.32 C ATOM 595 OE1 GLU A 36 -32.768 8.807 -23.526 1.00 44.23 O ATOM 596 OE2 GLU A 36 -32.164 10.483 -22.238 1.00 61.25 O ATOM 0 H GLU A 36 -32.444 5.133 -21.645 1.00 3.12 H new ATOM 0 HA GLU A 36 -31.138 6.593 -19.432 1.00 72.10 H new ATOM 0 HB2 GLU A 36 -33.454 7.292 -21.278 1.00 35.04 H new ATOM 0 HB3 GLU A 36 -32.969 8.270 -19.908 1.00 35.04 H new ATOM 0 HG2 GLU A 36 -30.875 8.824 -20.896 1.00 24.34 H new ATOM 0 HG3 GLU A 36 -31.005 7.549 -22.091 1.00 24.34 H new ATOM 603 N LYS A 37 -33.089 6.410 -17.776 1.00 61.35 N ATOM 604 CA LYS A 37 -34.014 6.006 -16.725 1.00 11.35 C ATOM 605 C LYS A 37 -35.121 7.040 -16.548 1.00 34.00 C ATOM 606 O LYS A 37 -34.865 8.177 -16.153 1.00 30.35 O ATOM 607 CB LYS A 37 -33.267 5.814 -15.403 1.00 44.34 C ATOM 608 CG LYS A 37 -32.308 6.947 -15.077 1.00 53.10 C ATOM 609 CD LYS A 37 -31.646 6.745 -13.725 1.00 11.13 C ATOM 610 CE LYS A 37 -32.546 7.209 -12.589 1.00 31.40 C ATOM 611 NZ LYS A 37 -31.775 7.472 -11.343 1.00 33.21 N ATOM 0 H LYS A 37 -32.474 7.183 -17.521 1.00 61.35 H new ATOM 0 HA LYS A 37 -34.467 5.059 -17.020 1.00 11.35 H new ATOM 0 HB2 LYS A 37 -33.993 5.720 -14.595 1.00 44.34 H new ATOM 0 HB3 LYS A 37 -32.710 4.878 -15.442 1.00 44.34 H new ATOM 0 HG2 LYS A 37 -31.544 7.012 -15.851 1.00 53.10 H new ATOM 0 HG3 LYS A 37 -32.847 7.894 -15.081 1.00 53.10 H new ATOM 0 HD2 LYS A 37 -31.404 5.691 -13.591 1.00 11.13 H new ATOM 0 HD3 LYS A 37 -30.705 7.295 -13.693 1.00 11.13 H new ATOM 0 HE2 LYS A 37 -33.071 8.116 -12.889 1.00 31.40 H new ATOM 0 HE3 LYS A 37 -33.304 6.451 -12.394 1.00 31.40 H new ATOM 0 HZ1 LYS A 37 -32.424 7.786 -10.593 1.00 33.21 H new ATOM 0 HZ2 LYS A 37 -31.294 6.601 -11.042 1.00 33.21 H new ATOM 0 HZ3 LYS A 37 -31.068 8.214 -11.522 1.00 33.21 H new ATOM 625 N ALA A 38 -36.354 6.638 -16.844 1.00 21.21 N ATOM 626 CA ALA A 38 -37.500 7.529 -16.715 1.00 24.35 C ATOM 627 C ALA A 38 -37.744 7.901 -15.256 1.00 43.22 C ATOM 628 O ALA A 38 -37.370 7.161 -14.347 1.00 14.13 O ATOM 629 CB ALA A 38 -38.741 6.883 -17.310 1.00 75.25 C ATOM 0 H ALA A 38 -36.584 5.701 -17.175 1.00 21.21 H new ATOM 0 HA ALA A 38 -37.281 8.444 -17.265 1.00 24.35 H new ATOM 0 HB1 ALA A 38 -39.589 7.560 -17.206 1.00 75.25 H new ATOM 0 HB2 ALA A 38 -38.571 6.673 -18.366 1.00 75.25 H new ATOM 0 HB3 ALA A 38 -38.954 5.952 -16.785 1.00 75.25 H new ATOM 635 N GLU A 39 -38.373 9.053 -15.040 1.00 41.14 N ATOM 636 CA GLU A 39 -38.664 9.523 -13.692 1.00 32.52 C ATOM 637 C GLU A 39 -39.971 8.924 -13.177 1.00 44.23 C ATOM 638 O GLU A 39 -40.055 8.475 -12.034 1.00 44.35 O ATOM 639 CB GLU A 39 -38.746 11.051 -13.666 1.00 61.50 C ATOM 640 CG GLU A 39 -38.614 11.643 -12.274 1.00 13.11 C ATOM 641 CD GLU A 39 -37.210 11.519 -11.717 1.00 4.42 C ATOM 642 OE1 GLU A 39 -36.295 12.171 -12.263 1.00 42.53 O ATOM 643 OE2 GLU A 39 -37.025 10.771 -10.735 1.00 62.21 O ATOM 0 H GLU A 39 -38.690 9.677 -15.782 1.00 41.14 H new ATOM 0 HA GLU A 39 -37.853 9.199 -13.040 1.00 32.52 H new ATOM 0 HB2 GLU A 39 -37.960 11.460 -14.302 1.00 61.50 H new ATOM 0 HB3 GLU A 39 -39.698 11.363 -14.096 1.00 61.50 H new ATOM 0 HG2 GLU A 39 -38.898 12.695 -12.303 1.00 13.11 H new ATOM 0 HG3 GLU A 39 -39.312 11.143 -11.603 1.00 13.11 H new ATOM 650 N LYS A 40 -40.990 8.920 -14.031 1.00 5.11 N ATOM 651 CA LYS A 40 -42.292 8.377 -13.666 1.00 32.34 C ATOM 652 C LYS A 40 -42.403 6.910 -14.070 1.00 45.21 C ATOM 653 O LYS A 40 -42.995 6.583 -15.097 1.00 55.20 O ATOM 654 CB LYS A 40 -43.409 9.185 -14.330 1.00 53.00 C ATOM 655 CG LYS A 40 -43.303 10.681 -14.089 1.00 53.05 C ATOM 656 CD LYS A 40 -44.195 11.464 -15.038 1.00 70.02 C ATOM 657 CE LYS A 40 -44.246 12.938 -14.667 1.00 34.22 C ATOM 658 NZ LYS A 40 -45.493 13.589 -15.156 1.00 43.25 N ATOM 0 H LYS A 40 -40.938 9.287 -14.981 1.00 5.11 H new ATOM 0 HA LYS A 40 -42.396 8.446 -12.583 1.00 32.34 H new ATOM 0 HB2 LYS A 40 -43.394 8.996 -15.403 1.00 53.00 H new ATOM 0 HB3 LYS A 40 -44.371 8.833 -13.958 1.00 53.00 H new ATOM 0 HG2 LYS A 40 -43.581 10.905 -13.059 1.00 53.05 H new ATOM 0 HG3 LYS A 40 -42.268 10.998 -14.216 1.00 53.05 H new ATOM 0 HD2 LYS A 40 -43.825 11.357 -16.058 1.00 70.02 H new ATOM 0 HD3 LYS A 40 -45.202 11.048 -15.019 1.00 70.02 H new ATOM 0 HE2 LYS A 40 -44.182 13.043 -13.584 1.00 34.22 H new ATOM 0 HE3 LYS A 40 -43.380 13.449 -15.088 1.00 34.22 H new ATOM 0 HZ1 LYS A 40 -45.490 14.593 -14.884 1.00 43.25 H new ATOM 0 HZ2 LYS A 40 -45.542 13.512 -16.192 1.00 43.25 H new ATOM 0 HZ3 LYS A 40 -46.319 13.118 -14.734 1.00 43.25 H new ATOM 672 N SER A 41 -41.829 6.031 -13.254 1.00 44.43 N ATOM 673 CA SER A 41 -41.860 4.599 -13.528 1.00 40.44 C ATOM 674 C SER A 41 -41.489 3.800 -12.284 1.00 13.25 C ATOM 675 O SER A 41 -40.687 4.245 -11.463 1.00 31.20 O ATOM 676 CB SER A 41 -40.904 4.257 -14.673 1.00 61.11 C ATOM 677 OG SER A 41 -39.827 5.176 -14.731 1.00 20.11 O ATOM 0 H SER A 41 -41.337 6.286 -12.398 1.00 44.43 H new ATOM 0 HA SER A 41 -42.875 4.331 -13.820 1.00 40.44 H new ATOM 0 HB2 SER A 41 -40.517 3.247 -14.538 1.00 61.11 H new ATOM 0 HB3 SER A 41 -41.446 4.267 -15.619 1.00 61.11 H new ATOM 0 HG SER A 41 -38.997 4.695 -14.933 1.00 20.11 H new ATOM 683 N ASP A 42 -42.080 2.618 -12.151 1.00 64.43 N ATOM 684 CA ASP A 42 -41.812 1.753 -11.007 1.00 52.11 C ATOM 685 C ASP A 42 -40.571 0.899 -11.250 1.00 52.40 C ATOM 686 O ASP A 42 -40.217 0.053 -10.428 1.00 11.31 O ATOM 687 CB ASP A 42 -43.018 0.855 -10.726 1.00 4.25 C ATOM 688 CG ASP A 42 -43.023 0.321 -9.306 1.00 64.45 C ATOM 689 OD1 ASP A 42 -42.617 1.066 -8.390 1.00 31.34 O ATOM 690 OD2 ASP A 42 -43.433 -0.842 -9.113 1.00 50.10 O ATOM 0 H ASP A 42 -42.748 2.236 -12.821 1.00 64.43 H new ATOM 0 HA ASP A 42 -41.630 2.386 -10.139 1.00 52.11 H new ATOM 0 HB2 ASP A 42 -43.935 1.417 -10.903 1.00 4.25 H new ATOM 0 HB3 ASP A 42 -43.016 0.019 -11.426 1.00 4.25 H new ATOM 695 N ILE A 43 -39.916 1.126 -12.384 1.00 21.43 N ATOM 696 CA ILE A 43 -38.716 0.376 -12.734 1.00 52.43 C ATOM 697 C ILE A 43 -37.518 0.844 -11.915 1.00 51.02 C ATOM 698 O ILE A 43 -37.244 2.039 -11.796 1.00 1.01 O ATOM 699 CB ILE A 43 -38.385 0.513 -14.232 1.00 24.03 C ATOM 700 CG1 ILE A 43 -37.211 -0.397 -14.602 1.00 12.14 C ATOM 701 CG2 ILE A 43 -38.069 1.961 -14.575 1.00 44.23 C ATOM 702 CD1 ILE A 43 -37.634 -1.787 -15.022 1.00 40.11 C ATOM 0 H ILE A 43 -40.196 1.822 -13.075 1.00 21.43 H new ATOM 0 HA ILE A 43 -38.920 -0.671 -12.509 1.00 52.43 H new ATOM 0 HB ILE A 43 -39.256 0.205 -14.811 1.00 24.03 H new ATOM 0 HG12 ILE A 43 -36.647 0.063 -15.413 1.00 12.14 H new ATOM 0 HG13 ILE A 43 -36.538 -0.473 -13.748 1.00 12.14 H new ATOM 0 HG21 ILE A 43 -37.837 2.041 -15.637 1.00 44.23 H new ATOM 0 HG22 ILE A 43 -38.931 2.586 -14.344 1.00 44.23 H new ATOM 0 HG23 ILE A 43 -37.212 2.295 -13.990 1.00 44.23 H new ATOM 0 HD11 ILE A 43 -36.751 -2.377 -15.270 1.00 40.11 H new ATOM 0 HD12 ILE A 43 -38.173 -2.266 -14.204 1.00 40.11 H new ATOM 0 HD13 ILE A 43 -38.283 -1.721 -15.895 1.00 40.11 H new ATOM 714 N PRO A 44 -36.783 -0.119 -11.339 1.00 1.44 N ATOM 715 CA PRO A 44 -35.599 0.170 -10.523 1.00 54.30 C ATOM 716 C PRO A 44 -34.436 0.697 -11.356 1.00 23.51 C ATOM 717 O PRO A 44 -34.281 0.333 -12.521 1.00 61.24 O ATOM 718 CB PRO A 44 -35.250 -1.189 -9.913 1.00 3.11 C ATOM 719 CG PRO A 44 -35.809 -2.187 -10.866 1.00 63.00 C ATOM 720 CD PRO A 44 -37.050 -1.562 -11.439 1.00 74.33 C ATOM 0 HA PRO A 44 -35.792 0.947 -9.783 1.00 54.30 H new ATOM 0 HB2 PRO A 44 -34.172 -1.308 -9.802 1.00 3.11 H new ATOM 0 HB3 PRO A 44 -35.687 -1.301 -8.921 1.00 3.11 H new ATOM 0 HG2 PRO A 44 -35.091 -2.421 -11.652 1.00 63.00 H new ATOM 0 HG3 PRO A 44 -36.042 -3.123 -10.359 1.00 63.00 H new ATOM 0 HD2 PRO A 44 -37.215 -1.869 -12.472 1.00 74.33 H new ATOM 0 HD3 PRO A 44 -37.939 -1.846 -10.876 1.00 74.33 H new ATOM 728 N GLU A 45 -33.620 1.553 -10.750 1.00 0.12 N ATOM 729 CA GLU A 45 -32.470 2.129 -11.437 1.00 51.34 C ATOM 730 C GLU A 45 -31.568 1.034 -12.000 1.00 71.42 C ATOM 731 O GLU A 45 -31.303 0.032 -11.336 1.00 62.33 O ATOM 732 CB GLU A 45 -31.672 3.021 -10.485 1.00 53.54 C ATOM 733 CG GLU A 45 -30.673 2.259 -9.631 1.00 3.43 C ATOM 734 CD GLU A 45 -31.327 1.181 -8.789 1.00 55.10 C ATOM 735 OE1 GLU A 45 -32.379 1.462 -8.176 1.00 42.34 O ATOM 736 OE2 GLU A 45 -30.788 0.056 -8.744 1.00 11.22 O ATOM 0 H GLU A 45 -33.734 1.863 -9.785 1.00 0.12 H new ATOM 0 HA GLU A 45 -32.840 2.734 -12.265 1.00 51.34 H new ATOM 0 HB2 GLU A 45 -31.140 3.774 -11.066 1.00 53.54 H new ATOM 0 HB3 GLU A 45 -32.365 3.552 -9.832 1.00 53.54 H new ATOM 0 HG2 GLU A 45 -29.921 1.804 -10.276 1.00 3.43 H new ATOM 0 HG3 GLU A 45 -30.151 2.958 -8.978 1.00 3.43 H new ATOM 743 N ILE A 46 -31.102 1.233 -13.229 1.00 33.42 N ATOM 744 CA ILE A 46 -30.230 0.263 -13.881 1.00 72.21 C ATOM 745 C ILE A 46 -28.784 0.743 -13.891 1.00 41.52 C ATOM 746 O ILE A 46 -28.509 1.922 -13.667 1.00 1.53 O ATOM 747 CB ILE A 46 -30.679 -0.013 -15.328 1.00 32.20 C ATOM 748 CG1 ILE A 46 -30.095 -1.339 -15.822 1.00 14.03 C ATOM 749 CG2 ILE A 46 -30.257 1.130 -16.240 1.00 33.22 C ATOM 750 CD1 ILE A 46 -30.767 -1.866 -17.070 1.00 12.11 C ATOM 0 H ILE A 46 -31.314 2.056 -13.793 1.00 33.42 H new ATOM 0 HA ILE A 46 -30.299 -0.660 -13.306 1.00 72.21 H new ATOM 0 HB ILE A 46 -31.766 -0.086 -15.348 1.00 32.20 H new ATOM 0 HG12 ILE A 46 -29.031 -1.207 -16.020 1.00 14.03 H new ATOM 0 HG13 ILE A 46 -30.182 -2.083 -15.030 1.00 14.03 H new ATOM 0 HG21 ILE A 46 -30.581 0.921 -17.259 1.00 33.22 H new ATOM 0 HG22 ILE A 46 -30.715 2.058 -15.897 1.00 33.22 H new ATOM 0 HG23 ILE A 46 -29.172 1.231 -16.218 1.00 33.22 H new ATOM 0 HD11 ILE A 46 -30.303 -2.808 -17.363 1.00 12.11 H new ATOM 0 HD12 ILE A 46 -31.826 -2.030 -16.871 1.00 12.11 H new ATOM 0 HD13 ILE A 46 -30.657 -1.141 -17.876 1.00 12.11 H new ATOM 762 N ASP A 47 -27.862 -0.176 -14.156 1.00 74.22 N ATOM 763 CA ASP A 47 -26.442 0.155 -14.199 1.00 72.52 C ATOM 764 C ASP A 47 -26.213 1.469 -14.939 1.00 72.03 C ATOM 765 O ASP A 47 -25.452 2.324 -14.487 1.00 45.30 O ATOM 766 CB ASP A 47 -25.656 -0.970 -14.875 1.00 11.13 C ATOM 767 CG ASP A 47 -25.894 -2.317 -14.221 1.00 2.21 C ATOM 768 OD1 ASP A 47 -25.333 -2.555 -13.131 1.00 43.43 O ATOM 769 OD2 ASP A 47 -26.641 -3.133 -14.800 1.00 62.41 O ATOM 0 H ASP A 47 -28.072 -1.156 -14.344 1.00 74.22 H new ATOM 0 HA ASP A 47 -26.089 0.270 -13.174 1.00 72.52 H new ATOM 0 HB2 ASP A 47 -25.938 -1.025 -15.926 1.00 11.13 H new ATOM 0 HB3 ASP A 47 -24.592 -0.736 -14.842 1.00 11.13 H new ATOM 774 N LYS A 48 -26.875 1.622 -16.080 1.00 53.44 N ATOM 775 CA LYS A 48 -26.744 2.832 -16.885 1.00 13.03 C ATOM 776 C LYS A 48 -25.313 3.003 -17.381 1.00 63.54 C ATOM 777 O LYS A 48 -24.415 3.344 -16.612 1.00 10.42 O ATOM 778 CB LYS A 48 -27.163 4.058 -16.070 1.00 65.15 C ATOM 779 CG LYS A 48 -28.551 4.571 -16.411 1.00 43.12 C ATOM 780 CD LYS A 48 -28.641 6.080 -16.262 1.00 43.40 C ATOM 781 CE LYS A 48 -28.846 6.763 -17.605 1.00 43.12 C ATOM 782 NZ LYS A 48 -29.308 8.170 -17.448 1.00 44.03 N ATOM 0 H LYS A 48 -27.508 0.923 -16.469 1.00 53.44 H new ATOM 0 HA LYS A 48 -27.400 2.736 -17.750 1.00 13.03 H new ATOM 0 HB2 LYS A 48 -27.128 3.808 -15.010 1.00 65.15 H new ATOM 0 HB3 LYS A 48 -26.440 4.857 -16.233 1.00 65.15 H new ATOM 0 HG2 LYS A 48 -28.802 4.290 -17.434 1.00 43.12 H new ATOM 0 HG3 LYS A 48 -29.285 4.096 -15.760 1.00 43.12 H new ATOM 0 HD2 LYS A 48 -29.466 6.332 -15.595 1.00 43.40 H new ATOM 0 HD3 LYS A 48 -27.729 6.456 -15.797 1.00 43.40 H new ATOM 0 HE2 LYS A 48 -27.912 6.748 -18.166 1.00 43.12 H new ATOM 0 HE3 LYS A 48 -29.577 6.204 -18.189 1.00 43.12 H new ATOM 0 HZ1 LYS A 48 -29.798 8.473 -18.314 1.00 44.03 H new ATOM 0 HZ2 LYS A 48 -29.960 8.233 -16.640 1.00 44.03 H new ATOM 0 HZ3 LYS A 48 -28.488 8.788 -17.280 1.00 44.03 H new ATOM 796 N ARG A 49 -25.107 2.763 -18.673 1.00 42.44 N ATOM 797 CA ARG A 49 -23.784 2.892 -19.272 1.00 35.22 C ATOM 798 C ARG A 49 -23.834 2.599 -20.769 1.00 75.33 C ATOM 799 O ARG A 49 -24.911 2.496 -21.357 1.00 14.24 O ATOM 800 CB ARG A 49 -22.798 1.942 -18.590 1.00 0.23 C ATOM 801 CG ARG A 49 -21.458 2.584 -18.266 1.00 14.52 C ATOM 802 CD ARG A 49 -21.342 2.910 -16.784 1.00 43.34 C ATOM 803 NE ARG A 49 -21.486 1.721 -15.949 1.00 53.22 N ATOM 804 CZ ARG A 49 -21.742 1.766 -14.647 1.00 24.21 C ATOM 805 NH1 ARG A 49 -21.880 2.933 -14.034 1.00 31.34 N ATOM 806 NH2 ARG A 49 -21.860 0.639 -13.954 1.00 52.54 N ATOM 0 H ARG A 49 -25.839 2.479 -19.324 1.00 42.44 H new ATOM 0 HA ARG A 49 -23.447 3.919 -19.131 1.00 35.22 H new ATOM 0 HB2 ARG A 49 -23.245 1.569 -17.668 1.00 0.23 H new ATOM 0 HB3 ARG A 49 -22.632 1.080 -19.236 1.00 0.23 H new ATOM 0 HG2 ARG A 49 -20.651 1.911 -18.556 1.00 14.52 H new ATOM 0 HG3 ARG A 49 -21.339 3.496 -18.851 1.00 14.52 H new ATOM 0 HD2 ARG A 49 -20.375 3.374 -16.590 1.00 43.34 H new ATOM 0 HD3 ARG A 49 -22.106 3.638 -16.512 1.00 43.34 H new ATOM 0 HE ARG A 49 -21.384 0.807 -16.390 1.00 53.22 H new ATOM 0 HH11 ARG A 49 -21.790 3.801 -14.563 1.00 31.34 H new ATOM 0 HH12 ARG A 49 -22.077 2.963 -13.034 1.00 31.34 H new ATOM 0 HH21 ARG A 49 -21.754 -0.261 -14.422 1.00 52.54 H new ATOM 0 HH22 ARG A 49 -22.057 0.674 -12.954 1.00 52.54 H new ATOM 820 N LYS A 50 -22.663 2.466 -21.381 1.00 2.44 N ATOM 821 CA LYS A 50 -22.572 2.186 -22.809 1.00 20.52 C ATOM 822 C LYS A 50 -22.946 0.737 -23.102 1.00 63.23 C ATOM 823 O LYS A 50 -22.291 -0.192 -22.628 1.00 73.32 O ATOM 824 CB LYS A 50 -21.156 2.471 -23.316 1.00 40.01 C ATOM 825 CG LYS A 50 -20.943 3.913 -23.744 1.00 60.31 C ATOM 826 CD LYS A 50 -20.572 4.795 -22.564 1.00 1.32 C ATOM 827 CE LYS A 50 -19.064 4.940 -22.428 1.00 32.54 C ATOM 828 NZ LYS A 50 -18.695 5.973 -21.420 1.00 32.21 N ATOM 0 H LYS A 50 -21.762 2.548 -20.910 1.00 2.44 H new ATOM 0 HA LYS A 50 -23.275 2.837 -23.328 1.00 20.52 H new ATOM 0 HB2 LYS A 50 -20.441 2.224 -22.531 1.00 40.01 H new ATOM 0 HB3 LYS A 50 -20.942 1.815 -24.160 1.00 40.01 H new ATOM 0 HG2 LYS A 50 -20.155 3.958 -24.495 1.00 60.31 H new ATOM 0 HG3 LYS A 50 -21.851 4.293 -24.212 1.00 60.31 H new ATOM 0 HD2 LYS A 50 -21.023 5.779 -22.688 1.00 1.32 H new ATOM 0 HD3 LYS A 50 -20.982 4.370 -21.648 1.00 1.32 H new ATOM 0 HE2 LYS A 50 -18.631 3.982 -22.141 1.00 32.54 H new ATOM 0 HE3 LYS A 50 -18.636 5.206 -23.394 1.00 32.54 H new ATOM 0 HZ1 LYS A 50 -17.659 6.042 -21.357 1.00 32.21 H new ATOM 0 HZ2 LYS A 50 -19.086 6.893 -21.707 1.00 32.21 H new ATOM 0 HZ3 LYS A 50 -19.082 5.706 -20.492 1.00 32.21 H new ATOM 842 N TYR A 51 -24.001 0.551 -23.888 1.00 32.14 N ATOM 843 CA TYR A 51 -24.463 -0.785 -24.245 1.00 23.42 C ATOM 844 C TYR A 51 -24.138 -1.104 -25.701 1.00 0.33 C ATOM 845 O TYR A 51 -24.853 -0.689 -26.614 1.00 3.52 O ATOM 846 CB TYR A 51 -25.969 -0.907 -24.008 1.00 62.24 C ATOM 847 CG TYR A 51 -26.379 -0.665 -22.573 1.00 62.33 C ATOM 848 CD1 TYR A 51 -26.261 -1.668 -21.618 1.00 73.41 C ATOM 849 CD2 TYR A 51 -26.883 0.566 -22.171 1.00 61.32 C ATOM 850 CE1 TYR A 51 -26.634 -1.452 -20.305 1.00 50.14 C ATOM 851 CE2 TYR A 51 -27.257 0.791 -20.861 1.00 22.30 C ATOM 852 CZ TYR A 51 -27.131 -0.221 -19.932 1.00 3.13 C ATOM 853 OH TYR A 51 -27.504 -0.001 -18.626 1.00 51.11 O ATOM 0 H TYR A 51 -24.552 1.309 -24.290 1.00 32.14 H new ATOM 0 HA TYR A 51 -23.943 -1.503 -23.611 1.00 23.42 H new ATOM 0 HB2 TYR A 51 -26.488 -0.195 -24.650 1.00 62.24 H new ATOM 0 HB3 TYR A 51 -26.296 -1.903 -24.307 1.00 62.24 H new ATOM 0 HD1 TYR A 51 -25.871 -2.633 -21.907 1.00 73.41 H new ATOM 0 HD2 TYR A 51 -26.984 1.360 -22.896 1.00 61.32 H new ATOM 0 HE1 TYR A 51 -26.537 -2.242 -19.576 1.00 50.14 H new ATOM 0 HE2 TYR A 51 -27.646 1.754 -20.565 1.00 22.30 H new ATOM 0 HH TYR A 51 -26.957 -0.556 -18.032 1.00 51.11 H new ATOM 863 N LEU A 52 -23.055 -1.844 -25.910 1.00 11.01 N ATOM 864 CA LEU A 52 -22.634 -2.220 -27.255 1.00 5.52 C ATOM 865 C LEU A 52 -23.664 -3.132 -27.914 1.00 1.42 C ATOM 866 O LEU A 52 -23.611 -4.353 -27.768 1.00 51.51 O ATOM 867 CB LEU A 52 -21.274 -2.919 -27.208 1.00 43.22 C ATOM 868 CG LEU A 52 -20.344 -2.659 -28.394 1.00 62.33 C ATOM 869 CD1 LEU A 52 -21.093 -2.827 -29.706 1.00 40.34 C ATOM 870 CD2 LEU A 52 -19.735 -1.268 -28.300 1.00 2.25 C ATOM 0 H LEU A 52 -22.453 -2.195 -25.166 1.00 11.01 H new ATOM 0 HA LEU A 52 -22.549 -1.310 -27.849 1.00 5.52 H new ATOM 0 HB2 LEU A 52 -20.762 -2.612 -26.296 1.00 43.22 H new ATOM 0 HB3 LEU A 52 -21.443 -3.993 -27.133 1.00 43.22 H new ATOM 0 HG LEU A 52 -19.536 -3.390 -28.364 1.00 62.33 H new ATOM 0 HD11 LEU A 52 -20.415 -2.638 -30.539 1.00 40.34 H new ATOM 0 HD12 LEU A 52 -21.480 -3.844 -29.776 1.00 40.34 H new ATOM 0 HD13 LEU A 52 -21.922 -2.120 -29.745 1.00 40.34 H new ATOM 0 HD21 LEU A 52 -19.076 -1.101 -29.152 1.00 2.25 H new ATOM 0 HD22 LEU A 52 -20.530 -0.522 -28.304 1.00 2.25 H new ATOM 0 HD23 LEU A 52 -19.162 -1.183 -27.377 1.00 2.25 H new ATOM 882 N VAL A 53 -24.600 -2.529 -28.640 1.00 74.31 N ATOM 883 CA VAL A 53 -25.641 -3.286 -29.324 1.00 70.22 C ATOM 884 C VAL A 53 -25.312 -3.462 -30.803 1.00 13.40 C ATOM 885 O VAL A 53 -25.087 -2.496 -31.533 1.00 10.14 O ATOM 886 CB VAL A 53 -27.013 -2.599 -29.193 1.00 51.34 C ATOM 887 CG1 VAL A 53 -28.064 -3.346 -30.001 1.00 2.30 C ATOM 888 CG2 VAL A 53 -27.423 -2.501 -27.731 1.00 70.14 C ATOM 0 H VAL A 53 -24.659 -1.519 -28.769 1.00 74.31 H new ATOM 0 HA VAL A 53 -25.686 -4.265 -28.846 1.00 70.22 H new ATOM 0 HB VAL A 53 -26.933 -1.588 -29.592 1.00 51.34 H new ATOM 0 HG11 VAL A 53 -29.027 -2.846 -29.896 1.00 2.30 H new ATOM 0 HG12 VAL A 53 -27.774 -3.359 -31.052 1.00 2.30 H new ATOM 0 HG13 VAL A 53 -28.145 -4.369 -29.635 1.00 2.30 H new ATOM 0 HG21 VAL A 53 -28.395 -2.013 -27.658 1.00 70.14 H new ATOM 0 HG22 VAL A 53 -27.486 -3.501 -27.303 1.00 70.14 H new ATOM 0 HG23 VAL A 53 -26.682 -1.918 -27.184 1.00 70.14 H new ATOM 898 N PRO A 54 -25.283 -4.723 -31.257 1.00 31.10 N ATOM 899 CA PRO A 54 -24.983 -5.056 -32.653 1.00 12.32 C ATOM 900 C PRO A 54 -26.101 -4.636 -33.601 1.00 40.35 C ATOM 901 O PRO A 54 -27.266 -4.568 -33.212 1.00 0.30 O ATOM 902 CB PRO A 54 -24.843 -6.580 -32.633 1.00 32.21 C ATOM 903 CG PRO A 54 -25.658 -7.019 -31.465 1.00 72.10 C ATOM 904 CD PRO A 54 -25.542 -5.923 -30.443 1.00 61.11 C ATOM 0 HA PRO A 54 -24.094 -4.538 -33.014 1.00 12.32 H new ATOM 0 HB2 PRO A 54 -25.208 -7.023 -33.560 1.00 32.21 H new ATOM 0 HB3 PRO A 54 -23.801 -6.881 -32.524 1.00 32.21 H new ATOM 0 HG2 PRO A 54 -26.698 -7.176 -31.752 1.00 72.10 H new ATOM 0 HG3 PRO A 54 -25.291 -7.965 -31.066 1.00 72.10 H new ATOM 0 HD2 PRO A 54 -26.456 -5.822 -29.857 1.00 61.11 H new ATOM 0 HD3 PRO A 54 -24.732 -6.114 -29.739 1.00 61.11 H new ATOM 912 N ALA A 55 -25.738 -4.357 -34.849 1.00 0.41 N ATOM 913 CA ALA A 55 -26.711 -3.945 -35.854 1.00 23.33 C ATOM 914 C ALA A 55 -27.724 -5.053 -36.123 1.00 21.41 C ATOM 915 O ALA A 55 -28.770 -4.817 -36.725 1.00 74.53 O ATOM 916 CB ALA A 55 -26.004 -3.550 -37.142 1.00 71.20 C ATOM 0 H ALA A 55 -24.777 -4.409 -35.188 1.00 0.41 H new ATOM 0 HA ALA A 55 -27.251 -3.080 -35.469 1.00 23.33 H new ATOM 0 HB1 ALA A 55 -26.742 -3.245 -37.883 1.00 71.20 H new ATOM 0 HB2 ALA A 55 -25.324 -2.721 -36.944 1.00 71.20 H new ATOM 0 HB3 ALA A 55 -25.438 -4.401 -37.522 1.00 71.20 H new ATOM 922 N ASP A 56 -27.405 -6.262 -35.672 1.00 52.10 N ATOM 923 CA ASP A 56 -28.287 -7.406 -35.863 1.00 32.30 C ATOM 924 C ASP A 56 -29.073 -7.705 -34.591 1.00 21.25 C ATOM 925 O ASP A 56 -29.614 -8.800 -34.425 1.00 12.11 O ATOM 926 CB ASP A 56 -27.480 -8.637 -36.280 1.00 0.33 C ATOM 927 CG ASP A 56 -26.286 -8.280 -37.144 1.00 10.32 C ATOM 928 OD1 ASP A 56 -26.459 -7.489 -38.095 1.00 65.53 O ATOM 929 OD2 ASP A 56 -25.180 -8.792 -36.869 1.00 53.20 O ATOM 0 H ASP A 56 -26.542 -6.474 -35.172 1.00 52.10 H new ATOM 0 HA ASP A 56 -28.993 -7.159 -36.656 1.00 32.30 H new ATOM 0 HB2 ASP A 56 -27.136 -9.162 -35.389 1.00 0.33 H new ATOM 0 HB3 ASP A 56 -28.127 -9.325 -36.825 1.00 0.33 H new ATOM 934 N LEU A 57 -29.131 -6.728 -33.694 1.00 12.32 N ATOM 935 CA LEU A 57 -29.850 -6.886 -32.434 1.00 41.12 C ATOM 936 C LEU A 57 -31.331 -6.566 -32.608 1.00 43.21 C ATOM 937 O LEU A 57 -31.692 -5.500 -33.110 1.00 74.24 O ATOM 938 CB LEU A 57 -29.244 -5.980 -31.360 1.00 63.24 C ATOM 939 CG LEU A 57 -29.370 -6.472 -29.918 1.00 51.34 C ATOM 940 CD1 LEU A 57 -30.824 -6.455 -29.474 1.00 72.43 C ATOM 941 CD2 LEU A 57 -28.782 -7.868 -29.777 1.00 32.12 C ATOM 0 H LEU A 57 -28.689 -5.817 -33.815 1.00 12.32 H new ATOM 0 HA LEU A 57 -29.756 -7.925 -32.119 1.00 41.12 H new ATOM 0 HB2 LEU A 57 -28.186 -5.841 -31.584 1.00 63.24 H new ATOM 0 HB3 LEU A 57 -29.716 -5.000 -31.431 1.00 63.24 H new ATOM 0 HG LEU A 57 -28.807 -5.797 -29.273 1.00 51.34 H new ATOM 0 HD11 LEU A 57 -30.894 -6.808 -28.445 1.00 72.43 H new ATOM 0 HD12 LEU A 57 -31.211 -5.438 -29.536 1.00 72.43 H new ATOM 0 HD13 LEU A 57 -31.410 -7.106 -30.122 1.00 72.43 H new ATOM 0 HD21 LEU A 57 -28.881 -8.202 -28.744 1.00 32.12 H new ATOM 0 HD22 LEU A 57 -29.316 -8.556 -30.433 1.00 32.12 H new ATOM 0 HD23 LEU A 57 -27.728 -7.848 -30.053 1.00 32.12 H new ATOM 953 N THR A 58 -32.185 -7.493 -32.188 1.00 11.02 N ATOM 954 CA THR A 58 -33.627 -7.310 -32.296 1.00 53.31 C ATOM 955 C THR A 58 -34.220 -6.820 -30.980 1.00 4.24 C ATOM 956 O THR A 58 -33.661 -7.059 -29.909 1.00 35.23 O ATOM 957 CB THR A 58 -34.330 -8.617 -32.708 1.00 32.34 C ATOM 958 OG1 THR A 58 -34.171 -9.603 -31.682 1.00 62.21 O ATOM 959 CG2 THR A 58 -33.767 -9.145 -34.018 1.00 52.21 C ATOM 0 H THR A 58 -31.903 -8.379 -31.769 1.00 11.02 H new ATOM 0 HA THR A 58 -33.793 -6.558 -33.068 1.00 53.31 H new ATOM 0 HB THR A 58 -35.390 -8.405 -32.846 1.00 32.34 H new ATOM 0 HG1 THR A 58 -34.622 -10.430 -31.951 1.00 62.21 H new ATOM 0 HG21 THR A 58 -34.279 -10.068 -34.288 1.00 52.21 H new ATOM 0 HG22 THR A 58 -33.917 -8.404 -34.803 1.00 52.21 H new ATOM 0 HG23 THR A 58 -32.701 -9.342 -33.903 1.00 52.21 H new ATOM 967 N VAL A 59 -35.355 -6.133 -31.066 1.00 43.21 N ATOM 968 CA VAL A 59 -36.024 -5.610 -29.881 1.00 31.21 C ATOM 969 C VAL A 59 -36.210 -6.700 -28.830 1.00 54.44 C ATOM 970 O VAL A 59 -35.923 -6.495 -27.652 1.00 14.04 O ATOM 971 CB VAL A 59 -37.398 -5.009 -30.232 1.00 32.42 C ATOM 972 CG1 VAL A 59 -38.133 -4.586 -28.969 1.00 74.05 C ATOM 973 CG2 VAL A 59 -37.238 -3.834 -31.184 1.00 24.30 C ATOM 0 H VAL A 59 -35.830 -5.926 -31.944 1.00 43.21 H new ATOM 0 HA VAL A 59 -35.386 -4.825 -29.476 1.00 31.21 H new ATOM 0 HB VAL A 59 -37.993 -5.773 -30.732 1.00 32.42 H new ATOM 0 HG11 VAL A 59 -39.102 -4.164 -29.236 1.00 74.05 H new ATOM 0 HG12 VAL A 59 -38.280 -5.454 -28.326 1.00 74.05 H new ATOM 0 HG13 VAL A 59 -37.544 -3.837 -28.439 1.00 74.05 H new ATOM 0 HG21 VAL A 59 -38.219 -3.422 -31.421 1.00 24.30 H new ATOM 0 HG22 VAL A 59 -36.625 -3.065 -30.713 1.00 24.30 H new ATOM 0 HG23 VAL A 59 -36.755 -4.172 -32.101 1.00 24.30 H new ATOM 983 N GLY A 60 -36.693 -7.859 -29.267 1.00 72.23 N ATOM 984 CA GLY A 60 -36.910 -8.964 -28.351 1.00 51.01 C ATOM 985 C GLY A 60 -35.629 -9.422 -27.682 1.00 13.01 C ATOM 986 O GLY A 60 -35.618 -9.718 -26.488 1.00 61.51 O ATOM 0 H GLY A 60 -36.938 -8.053 -30.238 1.00 72.23 H new ATOM 0 HA2 GLY A 60 -37.628 -8.664 -27.588 1.00 51.01 H new ATOM 0 HA3 GLY A 60 -37.352 -9.800 -28.893 1.00 51.01 H new ATOM 990 N GLN A 61 -34.549 -9.482 -28.454 1.00 52.34 N ATOM 991 CA GLN A 61 -33.258 -9.909 -27.928 1.00 20.20 C ATOM 992 C GLN A 61 -32.778 -8.968 -26.828 1.00 34.42 C ATOM 993 O GLN A 61 -32.255 -9.408 -25.805 1.00 24.25 O ATOM 994 CB GLN A 61 -32.221 -9.970 -29.051 1.00 24.33 C ATOM 995 CG GLN A 61 -31.166 -11.047 -28.848 1.00 12.51 C ATOM 996 CD GLN A 61 -30.094 -11.022 -29.919 1.00 72.21 C ATOM 997 OE1 GLN A 61 -28.914 -10.820 -29.628 1.00 74.12 O ATOM 998 NE2 GLN A 61 -30.498 -11.228 -31.167 1.00 0.13 N ATOM 0 H GLN A 61 -34.542 -9.241 -29.445 1.00 52.34 H new ATOM 0 HA GLN A 61 -33.381 -10.904 -27.501 1.00 20.20 H new ATOM 0 HB2 GLN A 61 -32.732 -10.148 -29.997 1.00 24.33 H new ATOM 0 HB3 GLN A 61 -31.728 -9.001 -29.132 1.00 24.33 H new ATOM 0 HG2 GLN A 61 -30.701 -10.916 -27.871 1.00 12.51 H new ATOM 0 HG3 GLN A 61 -31.647 -12.025 -28.843 1.00 12.51 H new ATOM 0 HE21 GLN A 61 -31.486 -11.391 -31.363 1.00 0.13 H new ATOM 0 HE22 GLN A 61 -29.821 -11.223 -31.930 1.00 0.13 H new ATOM 1007 N PHE A 62 -32.962 -7.670 -27.046 1.00 14.31 N ATOM 1008 CA PHE A 62 -32.548 -6.666 -26.073 1.00 45.13 C ATOM 1009 C PHE A 62 -33.392 -6.755 -24.805 1.00 52.03 C ATOM 1010 O PHE A 62 -32.879 -6.633 -23.694 1.00 3.12 O ATOM 1011 CB PHE A 62 -32.659 -5.264 -26.676 1.00 54.41 C ATOM 1012 CG PHE A 62 -32.111 -4.184 -25.788 1.00 43.13 C ATOM 1013 CD1 PHE A 62 -30.939 -4.382 -25.076 1.00 73.45 C ATOM 1014 CD2 PHE A 62 -32.767 -2.970 -25.666 1.00 51.31 C ATOM 1015 CE1 PHE A 62 -30.433 -3.390 -24.258 1.00 61.43 C ATOM 1016 CE2 PHE A 62 -32.265 -1.974 -24.850 1.00 13.40 C ATOM 1017 CZ PHE A 62 -31.097 -2.184 -24.145 1.00 45.42 C ATOM 0 H PHE A 62 -33.395 -7.289 -27.887 1.00 14.31 H new ATOM 0 HA PHE A 62 -31.508 -6.860 -25.810 1.00 45.13 H new ATOM 0 HB2 PHE A 62 -32.129 -5.244 -27.628 1.00 54.41 H new ATOM 0 HB3 PHE A 62 -33.706 -5.051 -26.890 1.00 54.41 H new ATOM 0 HD1 PHE A 62 -30.415 -5.322 -25.161 1.00 73.45 H new ATOM 0 HD2 PHE A 62 -33.681 -2.800 -26.215 1.00 51.31 H new ATOM 0 HE1 PHE A 62 -29.519 -3.557 -23.707 1.00 61.43 H new ATOM 0 HE2 PHE A 62 -32.786 -1.032 -24.764 1.00 13.40 H new ATOM 0 HZ PHE A 62 -30.703 -1.407 -23.506 1.00 45.42 H new ATOM 1027 N VAL A 63 -34.692 -6.968 -24.982 1.00 54.21 N ATOM 1028 CA VAL A 63 -35.609 -7.074 -23.854 1.00 34.14 C ATOM 1029 C VAL A 63 -35.307 -8.310 -23.013 1.00 72.44 C ATOM 1030 O VAL A 63 -35.440 -8.290 -21.790 1.00 44.30 O ATOM 1031 CB VAL A 63 -37.075 -7.133 -24.324 1.00 70.24 C ATOM 1032 CG1 VAL A 63 -38.015 -7.247 -23.134 1.00 72.11 C ATOM 1033 CG2 VAL A 63 -37.413 -5.911 -25.166 1.00 20.44 C ATOM 0 H VAL A 63 -35.134 -7.070 -25.896 1.00 54.21 H new ATOM 0 HA VAL A 63 -35.466 -6.180 -23.246 1.00 34.14 H new ATOM 0 HB VAL A 63 -37.204 -8.021 -24.943 1.00 70.24 H new ATOM 0 HG11 VAL A 63 -39.046 -7.287 -23.487 1.00 72.11 H new ATOM 0 HG12 VAL A 63 -37.787 -8.155 -22.576 1.00 72.11 H new ATOM 0 HG13 VAL A 63 -37.887 -6.380 -22.485 1.00 72.11 H new ATOM 0 HG21 VAL A 63 -38.452 -5.968 -25.490 1.00 20.44 H new ATOM 0 HG22 VAL A 63 -37.267 -5.009 -24.572 1.00 20.44 H new ATOM 0 HG23 VAL A 63 -36.762 -5.880 -26.040 1.00 20.44 H new ATOM 1043 N TYR A 64 -34.900 -9.386 -23.679 1.00 1.11 N ATOM 1044 CA TYR A 64 -34.581 -10.632 -22.995 1.00 63.01 C ATOM 1045 C TYR A 64 -33.401 -10.446 -22.047 1.00 25.43 C ATOM 1046 O TYR A 64 -33.462 -10.825 -20.877 1.00 15.12 O ATOM 1047 CB TYR A 64 -34.263 -11.730 -24.012 1.00 34.54 C ATOM 1048 CG TYR A 64 -35.480 -12.508 -24.461 1.00 62.34 C ATOM 1049 CD1 TYR A 64 -36.324 -13.113 -23.537 1.00 3.32 C ATOM 1050 CD2 TYR A 64 -35.785 -12.639 -25.810 1.00 54.02 C ATOM 1051 CE1 TYR A 64 -37.434 -13.825 -23.944 1.00 12.32 C ATOM 1052 CE2 TYR A 64 -36.896 -13.349 -26.226 1.00 62.42 C ATOM 1053 CZ TYR A 64 -37.717 -13.940 -25.289 1.00 2.04 C ATOM 1054 OH TYR A 64 -38.823 -14.648 -25.697 1.00 72.12 O ATOM 0 H TYR A 64 -34.784 -9.419 -24.692 1.00 1.11 H new ATOM 0 HA TYR A 64 -35.452 -10.928 -22.410 1.00 63.01 H new ATOM 0 HB2 TYR A 64 -33.787 -11.280 -24.884 1.00 34.54 H new ATOM 0 HB3 TYR A 64 -33.541 -12.420 -23.576 1.00 34.54 H new ATOM 0 HD1 TYR A 64 -36.107 -13.024 -22.483 1.00 3.32 H new ATOM 0 HD2 TYR A 64 -35.143 -12.178 -26.546 1.00 54.02 H new ATOM 0 HE1 TYR A 64 -38.078 -14.290 -23.213 1.00 12.32 H new ATOM 0 HE2 TYR A 64 -37.120 -13.440 -27.279 1.00 62.42 H new ATOM 0 HH TYR A 64 -38.879 -14.632 -26.675 1.00 72.12 H new ATOM 1064 N VAL A 65 -32.324 -9.859 -22.559 1.00 52.34 N ATOM 1065 CA VAL A 65 -31.129 -9.619 -21.760 1.00 63.53 C ATOM 1066 C VAL A 65 -31.388 -8.571 -20.683 1.00 73.34 C ATOM 1067 O VAL A 65 -30.833 -8.644 -19.587 1.00 12.44 O ATOM 1068 CB VAL A 65 -29.949 -9.158 -22.637 1.00 14.21 C ATOM 1069 CG1 VAL A 65 -29.513 -10.273 -23.575 1.00 41.01 C ATOM 1070 CG2 VAL A 65 -30.325 -7.908 -23.419 1.00 25.42 C ATOM 0 H VAL A 65 -32.255 -9.540 -23.526 1.00 52.34 H new ATOM 0 HA VAL A 65 -30.871 -10.566 -21.286 1.00 63.53 H new ATOM 0 HB VAL A 65 -29.109 -8.914 -21.987 1.00 14.21 H new ATOM 0 HG11 VAL A 65 -28.679 -9.929 -24.186 1.00 41.01 H new ATOM 0 HG12 VAL A 65 -29.202 -11.139 -22.991 1.00 41.01 H new ATOM 0 HG13 VAL A 65 -30.346 -10.551 -24.221 1.00 41.01 H new ATOM 0 HG21 VAL A 65 -29.481 -7.595 -24.033 1.00 25.42 H new ATOM 0 HG22 VAL A 65 -31.180 -8.123 -24.060 1.00 25.42 H new ATOM 0 HG23 VAL A 65 -30.584 -7.109 -22.725 1.00 25.42 H new ATOM 1080 N ILE A 66 -32.236 -7.600 -21.005 1.00 2.22 N ATOM 1081 CA ILE A 66 -32.570 -6.537 -20.064 1.00 43.11 C ATOM 1082 C ILE A 66 -32.993 -7.110 -18.716 1.00 33.04 C ATOM 1083 O ILE A 66 -32.461 -6.729 -17.674 1.00 12.33 O ATOM 1084 CB ILE A 66 -33.699 -5.641 -20.606 1.00 54.12 C ATOM 1085 CG1 ILE A 66 -33.125 -4.559 -21.523 1.00 41.53 C ATOM 1086 CG2 ILE A 66 -34.474 -5.013 -19.457 1.00 41.54 C ATOM 1087 CD1 ILE A 66 -32.619 -3.343 -20.780 1.00 13.34 C ATOM 0 H ILE A 66 -32.704 -7.527 -21.908 1.00 2.22 H new ATOM 0 HA ILE A 66 -31.670 -5.935 -19.934 1.00 43.11 H new ATOM 0 HB ILE A 66 -34.385 -6.257 -21.187 1.00 54.12 H new ATOM 0 HG12 ILE A 66 -32.308 -4.984 -22.106 1.00 41.53 H new ATOM 0 HG13 ILE A 66 -33.894 -4.248 -22.231 1.00 41.53 H new ATOM 0 HG21 ILE A 66 -35.269 -4.382 -19.856 1.00 41.54 H new ATOM 0 HG22 ILE A 66 -34.909 -5.799 -18.840 1.00 41.54 H new ATOM 0 HG23 ILE A 66 -33.800 -4.407 -18.851 1.00 41.54 H new ATOM 0 HD11 ILE A 66 -32.227 -2.618 -21.493 1.00 13.34 H new ATOM 0 HD12 ILE A 66 -33.438 -2.893 -20.218 1.00 13.34 H new ATOM 0 HD13 ILE A 66 -31.827 -3.640 -20.092 1.00 13.34 H new ATOM 1099 N ARG A 67 -33.953 -8.028 -18.744 1.00 74.34 N ATOM 1100 CA ARG A 67 -34.448 -8.655 -17.525 1.00 10.24 C ATOM 1101 C ARG A 67 -33.297 -9.219 -16.697 1.00 70.14 C ATOM 1102 O ARG A 67 -33.329 -9.192 -15.467 1.00 13.21 O ATOM 1103 CB ARG A 67 -35.441 -9.768 -17.864 1.00 13.12 C ATOM 1104 CG ARG A 67 -36.039 -10.445 -16.641 1.00 11.04 C ATOM 1105 CD ARG A 67 -36.344 -11.910 -16.908 1.00 65.35 C ATOM 1106 NE ARG A 67 -36.098 -12.744 -15.734 1.00 43.44 N ATOM 1107 CZ ARG A 67 -34.882 -13.075 -15.310 1.00 13.43 C ATOM 1108 NH1 ARG A 67 -33.810 -12.645 -15.960 1.00 62.33 N ATOM 1109 NH2 ARG A 67 -34.740 -13.836 -14.233 1.00 65.40 N ATOM 0 H ARG A 67 -34.404 -8.354 -19.599 1.00 74.34 H new ATOM 0 HA ARG A 67 -34.957 -7.892 -16.936 1.00 10.24 H new ATOM 0 HB2 ARG A 67 -36.247 -9.352 -18.469 1.00 13.12 H new ATOM 0 HB3 ARG A 67 -34.938 -10.518 -18.475 1.00 13.12 H new ATOM 0 HG2 ARG A 67 -35.346 -10.363 -15.804 1.00 11.04 H new ATOM 0 HG3 ARG A 67 -36.954 -9.929 -16.349 1.00 11.04 H new ATOM 0 HD2 ARG A 67 -37.385 -12.013 -17.214 1.00 65.35 H new ATOM 0 HD3 ARG A 67 -35.731 -12.262 -17.738 1.00 65.35 H new ATOM 0 HE ARG A 67 -36.902 -13.091 -15.211 1.00 43.44 H new ATOM 0 HH11 ARG A 67 -33.917 -12.059 -16.788 1.00 62.33 H new ATOM 0 HH12 ARG A 67 -32.878 -12.900 -15.632 1.00 62.33 H new ATOM 0 HH21 ARG A 67 -35.563 -14.167 -13.730 1.00 65.40 H new ATOM 0 HH22 ARG A 67 -33.807 -14.090 -13.907 1.00 65.40 H new ATOM 1123 N LYS A 68 -32.280 -9.732 -17.382 1.00 64.32 N ATOM 1124 CA LYS A 68 -31.117 -10.304 -16.713 1.00 0.22 C ATOM 1125 C LYS A 68 -30.281 -9.213 -16.050 1.00 64.42 C ATOM 1126 O LYS A 68 -29.764 -9.398 -14.949 1.00 30.04 O ATOM 1127 CB LYS A 68 -30.259 -11.083 -17.712 1.00 52.11 C ATOM 1128 CG LYS A 68 -29.390 -12.147 -17.066 1.00 62.32 C ATOM 1129 CD LYS A 68 -28.275 -12.596 -17.997 1.00 31.41 C ATOM 1130 CE LYS A 68 -27.253 -11.490 -18.216 1.00 71.41 C ATOM 1131 NZ LYS A 68 -25.930 -12.033 -18.633 1.00 73.11 N ATOM 0 H LYS A 68 -32.238 -9.763 -18.401 1.00 64.32 H new ATOM 0 HA LYS A 68 -31.472 -10.986 -15.941 1.00 0.22 H new ATOM 0 HB2 LYS A 68 -30.911 -11.555 -18.447 1.00 52.11 H new ATOM 0 HB3 LYS A 68 -29.621 -10.384 -18.253 1.00 52.11 H new ATOM 0 HG2 LYS A 68 -28.960 -11.757 -16.144 1.00 62.32 H new ATOM 0 HG3 LYS A 68 -30.005 -13.004 -16.793 1.00 62.32 H new ATOM 0 HD2 LYS A 68 -27.780 -13.472 -17.578 1.00 31.41 H new ATOM 0 HD3 LYS A 68 -28.698 -12.897 -18.955 1.00 31.41 H new ATOM 0 HE2 LYS A 68 -27.620 -10.802 -18.978 1.00 71.41 H new ATOM 0 HE3 LYS A 68 -27.137 -10.916 -17.297 1.00 71.41 H new ATOM 0 HZ1 LYS A 68 -25.261 -11.249 -18.772 1.00 73.11 H new ATOM 0 HZ2 LYS A 68 -25.568 -12.670 -17.895 1.00 73.11 H new ATOM 0 HZ3 LYS A 68 -26.036 -12.560 -19.523 1.00 73.11 H new ATOM 1145 N ARG A 69 -30.153 -8.078 -16.729 1.00 42.24 N ATOM 1146 CA ARG A 69 -29.379 -6.958 -16.206 1.00 34.13 C ATOM 1147 C ARG A 69 -30.047 -6.368 -14.967 1.00 63.24 C ATOM 1148 O ARG A 69 -29.386 -6.094 -13.965 1.00 50.42 O ATOM 1149 CB ARG A 69 -29.218 -5.877 -17.276 1.00 53.32 C ATOM 1150 CG ARG A 69 -28.576 -6.380 -18.559 1.00 33.35 C ATOM 1151 CD ARG A 69 -27.061 -6.253 -18.510 1.00 73.22 C ATOM 1152 NE ARG A 69 -26.441 -7.376 -17.811 1.00 41.32 N ATOM 1153 CZ ARG A 69 -25.204 -7.347 -17.327 1.00 42.43 C ATOM 1154 NH1 ARG A 69 -24.460 -6.258 -17.465 1.00 41.44 N ATOM 1155 NH2 ARG A 69 -24.709 -8.407 -16.704 1.00 33.35 N ATOM 0 H ARG A 69 -30.575 -7.909 -17.642 1.00 42.24 H new ATOM 0 HA ARG A 69 -28.394 -7.329 -15.925 1.00 34.13 H new ATOM 0 HB2 ARG A 69 -30.198 -5.460 -17.509 1.00 53.32 H new ATOM 0 HB3 ARG A 69 -28.614 -5.065 -16.872 1.00 53.32 H new ATOM 0 HG2 ARG A 69 -28.850 -7.423 -18.720 1.00 33.35 H new ATOM 0 HG3 ARG A 69 -28.963 -5.814 -19.407 1.00 33.35 H new ATOM 0 HD2 ARG A 69 -26.669 -6.197 -19.525 1.00 73.22 H new ATOM 0 HD3 ARG A 69 -26.791 -5.322 -18.012 1.00 73.22 H new ATOM 0 HE ARG A 69 -26.987 -8.229 -17.688 1.00 41.32 H new ATOM 0 HH11 ARG A 69 -24.837 -5.440 -17.944 1.00 41.44 H new ATOM 0 HH12 ARG A 69 -23.511 -6.238 -17.092 1.00 41.44 H new ATOM 0 HH21 ARG A 69 -25.278 -9.247 -16.596 1.00 33.35 H new ATOM 0 HH22 ARG A 69 -23.759 -8.383 -16.333 1.00 33.35 H new ATOM 1169 N ILE A 70 -31.360 -6.174 -15.044 1.00 63.35 N ATOM 1170 CA ILE A 70 -32.116 -5.618 -13.929 1.00 42.35 C ATOM 1171 C ILE A 70 -32.583 -6.714 -12.979 1.00 64.42 C ATOM 1172 O ILE A 70 -33.257 -6.444 -11.986 1.00 51.01 O ATOM 1173 CB ILE A 70 -33.341 -4.824 -14.422 1.00 74.40 C ATOM 1174 CG1 ILE A 70 -33.007 -4.078 -15.715 1.00 54.13 C ATOM 1175 CG2 ILE A 70 -33.809 -3.853 -13.349 1.00 32.55 C ATOM 1176 CD1 ILE A 70 -34.134 -3.200 -16.213 1.00 42.33 C ATOM 0 H ILE A 70 -31.921 -6.394 -15.867 1.00 63.35 H new ATOM 0 HA ILE A 70 -31.445 -4.944 -13.397 1.00 42.35 H new ATOM 0 HB ILE A 70 -34.150 -5.524 -14.629 1.00 74.40 H new ATOM 0 HG12 ILE A 70 -32.122 -3.463 -15.552 1.00 54.13 H new ATOM 0 HG13 ILE A 70 -32.753 -4.803 -16.488 1.00 54.13 H new ATOM 0 HG21 ILE A 70 -34.675 -3.299 -13.712 1.00 32.55 H new ATOM 0 HG22 ILE A 70 -34.083 -4.407 -12.451 1.00 32.55 H new ATOM 0 HG23 ILE A 70 -33.005 -3.156 -13.114 1.00 32.55 H new ATOM 0 HD11 ILE A 70 -33.828 -2.702 -17.133 1.00 42.33 H new ATOM 0 HD12 ILE A 70 -35.014 -3.813 -16.408 1.00 42.33 H new ATOM 0 HD13 ILE A 70 -34.373 -2.452 -15.457 1.00 42.33 H new ATOM 1188 N MET A 71 -32.217 -7.953 -13.289 1.00 23.50 N ATOM 1189 CA MET A 71 -32.595 -9.093 -12.460 1.00 3.31 C ATOM 1190 C MET A 71 -34.104 -9.124 -12.237 1.00 64.50 C ATOM 1191 O MET A 71 -34.582 -9.654 -11.233 1.00 71.23 O ATOM 1192 CB MET A 71 -31.870 -9.033 -11.114 1.00 71.04 C ATOM 1193 CG MET A 71 -30.436 -8.538 -11.216 1.00 53.05 C ATOM 1194 SD MET A 71 -29.559 -8.619 -9.644 1.00 3.31 S ATOM 1195 CE MET A 71 -29.216 -6.884 -9.358 1.00 43.42 C ATOM 0 H MET A 71 -31.659 -8.194 -14.108 1.00 23.50 H new ATOM 0 HA MET A 71 -32.303 -10.005 -12.982 1.00 3.31 H new ATOM 0 HB2 MET A 71 -32.424 -8.379 -10.441 1.00 71.04 H new ATOM 0 HB3 MET A 71 -31.871 -10.026 -10.665 1.00 71.04 H new ATOM 0 HG2 MET A 71 -29.902 -9.134 -11.956 1.00 53.05 H new ATOM 0 HG3 MET A 71 -30.436 -7.509 -11.575 1.00 53.05 H new ATOM 0 HE1 MET A 71 -28.675 -6.770 -8.419 1.00 43.42 H new ATOM 0 HE2 MET A 71 -28.610 -6.493 -10.175 1.00 43.42 H new ATOM 0 HE3 MET A 71 -30.154 -6.331 -9.306 1.00 43.42 H new ATOM 1205 N LEU A 72 -34.848 -8.555 -13.178 1.00 73.04 N ATOM 1206 CA LEU A 72 -36.303 -8.519 -13.084 1.00 74.22 C ATOM 1207 C LEU A 72 -36.883 -9.930 -13.060 1.00 21.04 C ATOM 1208 O LEU A 72 -36.460 -10.814 -13.804 1.00 34.24 O ATOM 1209 CB LEU A 72 -36.891 -7.736 -14.260 1.00 44.21 C ATOM 1210 CG LEU A 72 -38.181 -6.965 -13.976 1.00 31.45 C ATOM 1211 CD1 LEU A 72 -37.970 -5.968 -12.847 1.00 62.11 C ATOM 1212 CD2 LEU A 72 -38.667 -6.257 -15.232 1.00 20.05 C ATOM 0 H LEU A 72 -34.468 -8.112 -14.015 1.00 73.04 H new ATOM 0 HA LEU A 72 -36.569 -8.020 -12.152 1.00 74.22 H new ATOM 0 HB2 LEU A 72 -36.139 -7.030 -14.612 1.00 44.21 H new ATOM 0 HB3 LEU A 72 -37.080 -8.433 -15.076 1.00 44.21 H new ATOM 0 HG LEU A 72 -38.946 -7.677 -13.666 1.00 31.45 H new ATOM 0 HD11 LEU A 72 -38.899 -5.429 -12.659 1.00 62.11 H new ATOM 0 HD12 LEU A 72 -37.670 -6.499 -11.944 1.00 62.11 H new ATOM 0 HD13 LEU A 72 -37.190 -5.260 -13.128 1.00 62.11 H new ATOM 0 HD21 LEU A 72 -39.586 -5.714 -15.011 1.00 20.05 H new ATOM 0 HD22 LEU A 72 -37.904 -5.557 -15.573 1.00 20.05 H new ATOM 0 HD23 LEU A 72 -38.859 -6.993 -16.013 1.00 20.05 H new ATOM 1224 N PRO A 73 -37.876 -10.146 -12.184 1.00 0.14 N ATOM 1225 CA PRO A 73 -38.537 -11.447 -12.042 1.00 24.24 C ATOM 1226 C PRO A 73 -39.396 -11.796 -13.253 1.00 14.43 C ATOM 1227 O PRO A 73 -39.693 -10.951 -14.097 1.00 41.41 O ATOM 1228 CB PRO A 73 -39.412 -11.267 -10.798 1.00 64.45 C ATOM 1229 CG PRO A 73 -39.667 -9.801 -10.724 1.00 24.54 C ATOM 1230 CD PRO A 73 -38.430 -9.138 -11.265 1.00 55.51 C ATOM 0 HA PRO A 73 -37.819 -12.263 -11.959 1.00 24.24 H new ATOM 0 HB2 PRO A 73 -40.343 -11.827 -10.884 1.00 64.45 H new ATOM 0 HB3 PRO A 73 -38.906 -11.627 -9.902 1.00 64.45 H new ATOM 0 HG2 PRO A 73 -40.544 -9.527 -11.310 1.00 24.54 H new ATOM 0 HG3 PRO A 73 -39.859 -9.490 -9.697 1.00 24.54 H new ATOM 0 HD2 PRO A 73 -38.666 -8.209 -11.783 1.00 55.51 H new ATOM 0 HD3 PRO A 73 -37.727 -8.890 -10.470 1.00 55.51 H new ATOM 1238 N PRO A 74 -39.808 -13.069 -13.340 1.00 53.12 N ATOM 1239 CA PRO A 74 -40.641 -13.558 -14.443 1.00 42.24 C ATOM 1240 C PRO A 74 -42.059 -13.000 -14.390 1.00 31.53 C ATOM 1241 O PRO A 74 -42.614 -12.595 -15.410 1.00 55.13 O ATOM 1242 CB PRO A 74 -40.653 -15.074 -14.233 1.00 52.21 C ATOM 1243 CG PRO A 74 -40.401 -15.256 -12.777 1.00 33.35 C ATOM 1244 CD PRO A 74 -39.492 -14.130 -12.369 1.00 72.12 C ATOM 0 HA PRO A 74 -40.252 -13.252 -15.414 1.00 42.24 H new ATOM 0 HB2 PRO A 74 -41.609 -15.507 -14.526 1.00 52.21 H new ATOM 0 HB3 PRO A 74 -39.885 -15.563 -14.832 1.00 52.21 H new ATOM 0 HG2 PRO A 74 -41.334 -15.228 -12.213 1.00 33.35 H new ATOM 0 HG3 PRO A 74 -39.938 -16.223 -12.579 1.00 33.35 H new ATOM 0 HD2 PRO A 74 -39.685 -13.809 -11.345 1.00 72.12 H new ATOM 0 HD3 PRO A 74 -38.443 -14.422 -12.419 1.00 72.12 H new ATOM 1252 N GLU A 75 -42.639 -12.982 -13.193 1.00 64.22 N ATOM 1253 CA GLU A 75 -43.993 -12.475 -13.009 1.00 50.24 C ATOM 1254 C GLU A 75 -44.128 -11.065 -13.578 1.00 22.50 C ATOM 1255 O GLU A 75 -45.210 -10.653 -13.996 1.00 41.03 O ATOM 1256 CB GLU A 75 -44.363 -12.475 -11.525 1.00 32.14 C ATOM 1257 CG GLU A 75 -43.303 -11.851 -10.632 1.00 73.45 C ATOM 1258 CD GLU A 75 -43.856 -11.408 -9.292 1.00 43.21 C ATOM 1259 OE1 GLU A 75 -44.852 -10.654 -9.280 1.00 62.43 O ATOM 1260 OE2 GLU A 75 -43.292 -11.815 -8.255 1.00 35.34 O ATOM 0 H GLU A 75 -42.192 -13.313 -12.338 1.00 64.22 H new ATOM 0 HA GLU A 75 -44.676 -13.132 -13.547 1.00 50.24 H new ATOM 0 HB2 GLU A 75 -45.301 -11.935 -11.393 1.00 32.14 H new ATOM 0 HB3 GLU A 75 -44.538 -13.502 -11.203 1.00 32.14 H new ATOM 0 HG2 GLU A 75 -42.501 -12.571 -10.470 1.00 73.45 H new ATOM 0 HG3 GLU A 75 -42.864 -10.993 -11.141 1.00 73.45 H new ATOM 1267 N LYS A 76 -43.021 -10.330 -13.590 1.00 10.42 N ATOM 1268 CA LYS A 76 -43.013 -8.967 -14.106 1.00 42.45 C ATOM 1269 C LYS A 76 -42.432 -8.923 -15.517 1.00 34.12 C ATOM 1270 O LYS A 76 -42.146 -9.962 -16.113 1.00 1.23 O ATOM 1271 CB LYS A 76 -42.205 -8.053 -13.183 1.00 63.20 C ATOM 1272 CG LYS A 76 -42.764 -7.964 -11.774 1.00 52.43 C ATOM 1273 CD LYS A 76 -43.956 -7.023 -11.707 1.00 30.22 C ATOM 1274 CE LYS A 76 -43.516 -5.579 -11.526 1.00 3.40 C ATOM 1275 NZ LYS A 76 -42.916 -5.345 -10.183 1.00 42.02 N ATOM 0 H LYS A 76 -42.117 -10.656 -13.248 1.00 10.42 H new ATOM 0 HA LYS A 76 -44.044 -8.615 -14.144 1.00 42.45 H new ATOM 0 HB2 LYS A 76 -41.178 -8.415 -13.135 1.00 63.20 H new ATOM 0 HB3 LYS A 76 -42.171 -7.053 -13.615 1.00 63.20 H new ATOM 0 HG2 LYS A 76 -43.063 -8.956 -11.436 1.00 52.43 H new ATOM 0 HG3 LYS A 76 -41.986 -7.617 -11.094 1.00 52.43 H new ATOM 0 HD2 LYS A 76 -44.544 -7.114 -12.620 1.00 30.22 H new ATOM 0 HD3 LYS A 76 -44.604 -7.313 -10.880 1.00 30.22 H new ATOM 0 HE2 LYS A 76 -42.791 -5.321 -12.298 1.00 3.40 H new ATOM 0 HE3 LYS A 76 -44.373 -4.919 -11.661 1.00 3.40 H new ATOM 0 HZ1 LYS A 76 -42.956 -4.331 -9.957 1.00 42.02 H new ATOM 0 HZ2 LYS A 76 -43.447 -5.881 -9.467 1.00 42.02 H new ATOM 0 HZ3 LYS A 76 -41.925 -5.660 -10.186 1.00 42.02 H new ATOM 1289 N ALA A 77 -42.260 -7.716 -16.045 1.00 24.04 N ATOM 1290 CA ALA A 77 -41.710 -7.538 -17.382 1.00 50.12 C ATOM 1291 C ALA A 77 -41.574 -6.058 -17.727 1.00 64.41 C ATOM 1292 O ALA A 77 -42.287 -5.216 -17.182 1.00 72.43 O ATOM 1293 CB ALA A 77 -42.583 -8.243 -18.410 1.00 32.24 C ATOM 0 H ALA A 77 -42.494 -6.846 -15.566 1.00 24.04 H new ATOM 0 HA ALA A 77 -40.715 -7.982 -17.401 1.00 50.12 H new ATOM 0 HB1 ALA A 77 -42.160 -8.102 -19.405 1.00 32.24 H new ATOM 0 HB2 ALA A 77 -42.626 -9.308 -18.182 1.00 32.24 H new ATOM 0 HB3 ALA A 77 -43.589 -7.825 -18.381 1.00 32.24 H new ATOM 1299 N ILE A 78 -40.652 -5.750 -18.634 1.00 32.54 N ATOM 1300 CA ILE A 78 -40.424 -4.372 -19.051 1.00 63.11 C ATOM 1301 C ILE A 78 -40.158 -4.289 -20.550 1.00 35.21 C ATOM 1302 O ILE A 78 -39.879 -5.297 -21.200 1.00 25.34 O ATOM 1303 CB ILE A 78 -39.236 -3.746 -18.296 1.00 0.43 C ATOM 1304 CG1 ILE A 78 -38.063 -4.726 -18.243 1.00 2.12 C ATOM 1305 CG2 ILE A 78 -39.657 -3.338 -16.892 1.00 30.14 C ATOM 1306 CD1 ILE A 78 -36.849 -4.177 -17.526 1.00 34.42 C ATOM 0 H ILE A 78 -40.052 -6.435 -19.093 1.00 32.54 H new ATOM 0 HA ILE A 78 -41.331 -3.815 -18.813 1.00 63.11 H new ATOM 0 HB ILE A 78 -38.914 -2.853 -18.832 1.00 0.43 H new ATOM 0 HG12 ILE A 78 -38.386 -5.640 -17.745 1.00 2.12 H new ATOM 0 HG13 ILE A 78 -37.782 -4.999 -19.260 1.00 2.12 H new ATOM 0 HG21 ILE A 78 -38.807 -2.897 -16.371 1.00 30.14 H new ATOM 0 HG22 ILE A 78 -40.464 -2.608 -16.952 1.00 30.14 H new ATOM 0 HG23 ILE A 78 -40.002 -4.216 -16.346 1.00 30.14 H new ATOM 0 HD11 ILE A 78 -36.057 -4.925 -17.527 1.00 34.42 H new ATOM 0 HD12 ILE A 78 -36.500 -3.279 -18.036 1.00 34.42 H new ATOM 0 HD13 ILE A 78 -37.114 -3.931 -16.498 1.00 34.42 H new ATOM 1318 N PHE A 79 -40.248 -3.080 -21.095 1.00 21.21 N ATOM 1319 CA PHE A 79 -40.017 -2.864 -22.519 1.00 12.03 C ATOM 1320 C PHE A 79 -39.153 -1.627 -22.748 1.00 0.11 C ATOM 1321 O PHE A 79 -38.777 -0.935 -21.800 1.00 62.44 O ATOM 1322 CB PHE A 79 -41.349 -2.713 -23.255 1.00 61.01 C ATOM 1323 CG PHE A 79 -42.524 -2.528 -22.339 1.00 34.04 C ATOM 1324 CD1 PHE A 79 -43.157 -3.623 -21.772 1.00 62.53 C ATOM 1325 CD2 PHE A 79 -42.996 -1.259 -22.042 1.00 73.43 C ATOM 1326 CE1 PHE A 79 -44.238 -3.457 -20.928 1.00 2.43 C ATOM 1327 CE2 PHE A 79 -44.077 -1.087 -21.198 1.00 25.31 C ATOM 1328 CZ PHE A 79 -44.699 -2.187 -20.641 1.00 21.22 C ATOM 0 H PHE A 79 -40.479 -2.235 -20.572 1.00 21.21 H new ATOM 0 HA PHE A 79 -39.489 -3.732 -22.912 1.00 12.03 H new ATOM 0 HB2 PHE A 79 -41.287 -1.859 -23.930 1.00 61.01 H new ATOM 0 HB3 PHE A 79 -41.516 -3.596 -23.872 1.00 61.01 H new ATOM 0 HD1 PHE A 79 -42.801 -4.618 -21.993 1.00 62.53 H new ATOM 0 HD2 PHE A 79 -42.514 -0.395 -22.475 1.00 73.43 H new ATOM 0 HE1 PHE A 79 -44.722 -4.319 -20.493 1.00 2.43 H new ATOM 0 HE2 PHE A 79 -44.435 -0.093 -20.974 1.00 25.31 H new ATOM 0 HZ PHE A 79 -45.544 -2.054 -19.982 1.00 21.22 H new ATOM 1338 N ILE A 80 -38.843 -1.355 -24.011 1.00 73.20 N ATOM 1339 CA ILE A 80 -38.025 -0.202 -24.365 1.00 3.30 C ATOM 1340 C ILE A 80 -38.852 0.859 -25.083 1.00 42.11 C ATOM 1341 O ILE A 80 -39.714 0.541 -25.902 1.00 52.02 O ATOM 1342 CB ILE A 80 -36.840 -0.606 -25.261 1.00 61.22 C ATOM 1343 CG1 ILE A 80 -36.167 -1.868 -24.716 1.00 22.11 C ATOM 1344 CG2 ILE A 80 -35.838 0.534 -25.361 1.00 5.21 C ATOM 1345 CD1 ILE A 80 -35.562 -1.685 -23.342 1.00 13.05 C ATOM 0 H ILE A 80 -39.146 -1.917 -24.806 1.00 73.20 H new ATOM 0 HA ILE A 80 -37.640 0.210 -23.432 1.00 3.30 H new ATOM 0 HB ILE A 80 -37.217 -0.821 -26.261 1.00 61.22 H new ATOM 0 HG12 ILE A 80 -36.901 -2.673 -24.677 1.00 22.11 H new ATOM 0 HG13 ILE A 80 -35.386 -2.182 -25.409 1.00 22.11 H new ATOM 0 HG21 ILE A 80 -35.006 0.233 -25.998 1.00 5.21 H new ATOM 0 HG22 ILE A 80 -36.325 1.410 -25.790 1.00 5.21 H new ATOM 0 HG23 ILE A 80 -35.464 0.778 -24.367 1.00 5.21 H new ATOM 0 HD11 ILE A 80 -35.103 -2.619 -23.019 1.00 13.05 H new ATOM 0 HD12 ILE A 80 -34.804 -0.902 -23.379 1.00 13.05 H new ATOM 0 HD13 ILE A 80 -36.342 -1.401 -22.636 1.00 13.05 H new ATOM 1357 N PHE A 81 -38.582 2.123 -24.772 1.00 51.12 N ATOM 1358 CA PHE A 81 -39.300 3.232 -25.389 1.00 14.44 C ATOM 1359 C PHE A 81 -38.347 4.125 -26.178 1.00 53.00 C ATOM 1360 O PHE A 81 -37.327 4.576 -25.658 1.00 61.35 O ATOM 1361 CB PHE A 81 -40.022 4.056 -24.320 1.00 11.22 C ATOM 1362 CG PHE A 81 -41.198 3.349 -23.710 1.00 21.43 C ATOM 1363 CD1 PHE A 81 -42.412 3.294 -24.375 1.00 13.43 C ATOM 1364 CD2 PHE A 81 -41.089 2.737 -22.471 1.00 45.35 C ATOM 1365 CE1 PHE A 81 -43.496 2.644 -23.816 1.00 22.33 C ATOM 1366 CE2 PHE A 81 -42.169 2.085 -21.907 1.00 62.43 C ATOM 1367 CZ PHE A 81 -43.374 2.039 -22.580 1.00 33.22 C ATOM 0 H PHE A 81 -37.871 2.404 -24.097 1.00 51.12 H new ATOM 0 HA PHE A 81 -40.036 2.818 -26.078 1.00 14.44 H new ATOM 0 HB2 PHE A 81 -39.314 4.313 -23.532 1.00 11.22 H new ATOM 0 HB3 PHE A 81 -40.361 4.993 -24.762 1.00 11.22 H new ATOM 0 HD1 PHE A 81 -42.513 3.765 -25.342 1.00 13.43 H new ATOM 0 HD2 PHE A 81 -40.149 2.770 -21.940 1.00 45.35 H new ATOM 0 HE1 PHE A 81 -44.437 2.609 -24.345 1.00 22.33 H new ATOM 0 HE2 PHE A 81 -42.071 1.612 -20.941 1.00 62.43 H new ATOM 0 HZ PHE A 81 -44.220 1.531 -22.141 1.00 33.22 H new ATOM 1377 N VAL A 82 -38.689 4.375 -27.439 1.00 12.23 N ATOM 1378 CA VAL A 82 -37.866 5.214 -28.301 1.00 11.11 C ATOM 1379 C VAL A 82 -38.694 6.322 -28.942 1.00 3.35 C ATOM 1380 O VAL A 82 -39.761 6.071 -29.500 1.00 65.32 O ATOM 1381 CB VAL A 82 -37.191 4.386 -29.411 1.00 44.33 C ATOM 1382 CG1 VAL A 82 -38.236 3.763 -30.323 1.00 71.31 C ATOM 1383 CG2 VAL A 82 -36.224 5.249 -30.207 1.00 11.54 C ATOM 0 H VAL A 82 -39.530 4.008 -27.885 1.00 12.23 H new ATOM 0 HA VAL A 82 -37.096 5.658 -27.669 1.00 11.11 H new ATOM 0 HB VAL A 82 -36.624 3.581 -28.945 1.00 44.33 H new ATOM 0 HG11 VAL A 82 -37.740 3.182 -31.101 1.00 71.31 H new ATOM 0 HG12 VAL A 82 -38.885 3.109 -29.740 1.00 71.31 H new ATOM 0 HG13 VAL A 82 -38.833 4.550 -30.783 1.00 71.31 H new ATOM 0 HG21 VAL A 82 -35.757 4.647 -30.987 1.00 11.54 H new ATOM 0 HG22 VAL A 82 -36.766 6.077 -30.664 1.00 11.54 H new ATOM 0 HG23 VAL A 82 -35.455 5.642 -29.542 1.00 11.54 H new ATOM 1393 N ASN A 83 -38.193 7.551 -28.858 1.00 11.12 N ATOM 1394 CA ASN A 83 -38.886 8.699 -29.430 1.00 13.31 C ATOM 1395 C ASN A 83 -40.342 8.738 -28.974 1.00 1.15 C ATOM 1396 O ASN A 83 -41.228 9.144 -29.726 1.00 42.31 O ATOM 1397 CB ASN A 83 -38.820 8.653 -30.957 1.00 73.44 C ATOM 1398 CG ASN A 83 -38.395 9.979 -31.559 1.00 30.41 C ATOM 1399 OD1 ASN A 83 -38.768 11.043 -31.067 1.00 54.34 O ATOM 1400 ND2 ASN A 83 -37.610 9.919 -32.628 1.00 25.51 N ATOM 0 H ASN A 83 -37.310 7.777 -28.400 1.00 11.12 H new ATOM 0 HA ASN A 83 -38.389 9.603 -29.079 1.00 13.31 H new ATOM 0 HB2 ASN A 83 -38.119 7.877 -31.264 1.00 73.44 H new ATOM 0 HB3 ASN A 83 -39.797 8.375 -31.352 1.00 73.44 H new ATOM 0 HD21 ASN A 83 -37.291 10.778 -33.076 1.00 25.51 H new ATOM 0 HD22 ASN A 83 -37.326 9.014 -33.002 1.00 25.51 H new ATOM 1407 N ASP A 84 -40.581 8.314 -27.738 1.00 22.44 N ATOM 1408 CA ASP A 84 -41.928 8.301 -27.181 1.00 12.53 C ATOM 1409 C ASP A 84 -42.810 7.295 -27.914 1.00 10.55 C ATOM 1410 O ASP A 84 -43.956 7.589 -28.253 1.00 14.33 O ATOM 1411 CB ASP A 84 -42.549 9.697 -27.260 1.00 53.35 C ATOM 1412 CG ASP A 84 -41.513 10.799 -27.154 1.00 74.20 C ATOM 1413 OD1 ASP A 84 -41.094 11.111 -26.019 1.00 41.23 O ATOM 1414 OD2 ASP A 84 -41.121 11.348 -28.205 1.00 1.45 O ATOM 0 H ASP A 84 -39.859 7.975 -27.103 1.00 22.44 H new ATOM 0 HA ASP A 84 -41.859 8.001 -26.135 1.00 12.53 H new ATOM 0 HB2 ASP A 84 -43.088 9.799 -28.202 1.00 53.35 H new ATOM 0 HB3 ASP A 84 -43.280 9.812 -26.460 1.00 53.35 H new ATOM 1419 N THR A 85 -42.267 6.107 -28.156 1.00 33.04 N ATOM 1420 CA THR A 85 -43.003 5.058 -28.851 1.00 24.12 C ATOM 1421 C THR A 85 -42.599 3.677 -28.347 1.00 72.24 C ATOM 1422 O THR A 85 -41.695 3.546 -27.522 1.00 21.34 O ATOM 1423 CB THR A 85 -42.775 5.125 -30.372 1.00 64.45 C ATOM 1424 OG1 THR A 85 -43.951 4.691 -31.064 1.00 52.43 O ATOM 1425 CG2 THR A 85 -41.592 4.257 -30.780 1.00 13.52 C ATOM 0 H THR A 85 -41.320 5.847 -27.881 1.00 33.04 H new ATOM 0 HA THR A 85 -44.060 5.222 -28.643 1.00 24.12 H new ATOM 0 HB THR A 85 -42.558 6.159 -30.639 1.00 64.45 H new ATOM 0 HG1 THR A 85 -43.798 4.738 -32.031 1.00 52.43 H new ATOM 0 HG21 THR A 85 -41.450 4.320 -31.859 1.00 13.52 H new ATOM 0 HG22 THR A 85 -40.692 4.607 -30.274 1.00 13.52 H new ATOM 0 HG23 THR A 85 -41.786 3.222 -30.499 1.00 13.52 H new ATOM 1433 N LEU A 86 -43.274 2.649 -28.849 1.00 64.44 N ATOM 1434 CA LEU A 86 -42.984 1.275 -28.451 1.00 51.21 C ATOM 1435 C LEU A 86 -43.207 0.312 -29.613 1.00 13.34 C ATOM 1436 O LEU A 86 -44.301 -0.216 -29.812 1.00 12.53 O ATOM 1437 CB LEU A 86 -43.860 0.873 -27.263 1.00 72.45 C ATOM 1438 CG LEU A 86 -43.454 -0.408 -26.534 1.00 31.42 C ATOM 1439 CD1 LEU A 86 -42.482 -0.096 -25.408 1.00 41.51 C ATOM 1440 CD2 LEU A 86 -44.683 -1.128 -25.996 1.00 25.12 C ATOM 0 H LEU A 86 -44.026 2.740 -29.532 1.00 64.44 H new ATOM 0 HA LEU A 86 -41.936 1.221 -28.157 1.00 51.21 H new ATOM 0 HB2 LEU A 86 -43.861 1.692 -26.544 1.00 72.45 H new ATOM 0 HB3 LEU A 86 -44.885 0.758 -27.615 1.00 72.45 H new ATOM 0 HG LEU A 86 -42.955 -1.065 -27.246 1.00 31.42 H new ATOM 0 HD11 LEU A 86 -42.204 -1.020 -24.901 1.00 41.51 H new ATOM 0 HD12 LEU A 86 -41.589 0.375 -25.818 1.00 41.51 H new ATOM 0 HD13 LEU A 86 -42.955 0.581 -24.696 1.00 41.51 H new ATOM 0 HD21 LEU A 86 -44.375 -2.038 -25.480 1.00 25.12 H new ATOM 0 HD22 LEU A 86 -45.210 -0.476 -25.299 1.00 25.12 H new ATOM 0 HD23 LEU A 86 -45.345 -1.386 -26.823 1.00 25.12 H new ATOM 1452 N PRO A 87 -42.146 0.076 -30.397 1.00 60.13 N ATOM 1453 CA PRO A 87 -42.200 -0.828 -31.552 1.00 13.44 C ATOM 1454 C PRO A 87 -42.345 -2.288 -31.138 1.00 62.33 C ATOM 1455 O PRO A 87 -42.187 -2.646 -29.970 1.00 72.45 O ATOM 1456 CB PRO A 87 -40.855 -0.598 -32.245 1.00 40.40 C ATOM 1457 CG PRO A 87 -39.948 -0.120 -31.164 1.00 52.12 C ATOM 1458 CD PRO A 87 -40.810 0.671 -30.219 1.00 31.44 C ATOM 0 HA PRO A 87 -43.062 -0.627 -32.188 1.00 13.44 H new ATOM 0 HB2 PRO A 87 -40.481 -1.516 -32.698 1.00 40.40 H new ATOM 0 HB3 PRO A 87 -40.942 0.139 -33.043 1.00 40.40 H new ATOM 0 HG2 PRO A 87 -39.475 -0.958 -30.652 1.00 52.12 H new ATOM 0 HG3 PRO A 87 -39.147 0.497 -31.571 1.00 52.12 H new ATOM 0 HD2 PRO A 87 -40.464 0.582 -29.189 1.00 31.44 H new ATOM 0 HD3 PRO A 87 -40.807 1.733 -30.465 1.00 31.44 H new ATOM 1466 N PRO A 88 -42.650 -3.153 -32.116 1.00 65.43 N ATOM 1467 CA PRO A 88 -42.820 -4.590 -31.878 1.00 51.10 C ATOM 1468 C PRO A 88 -41.504 -5.282 -31.543 1.00 53.41 C ATOM 1469 O PRO A 88 -40.435 -4.853 -31.980 1.00 1.24 O ATOM 1470 CB PRO A 88 -43.373 -5.106 -33.208 1.00 71.43 C ATOM 1471 CG PRO A 88 -42.890 -4.129 -34.225 1.00 71.21 C ATOM 1472 CD PRO A 88 -42.851 -2.796 -33.531 1.00 4.03 C ATOM 0 HA PRO A 88 -43.469 -4.788 -31.025 1.00 51.10 H new ATOM 0 HB2 PRO A 88 -43.012 -6.112 -33.423 1.00 71.43 H new ATOM 0 HB3 PRO A 88 -44.462 -5.155 -33.192 1.00 71.43 H new ATOM 0 HG2 PRO A 88 -41.903 -4.406 -34.594 1.00 71.21 H new ATOM 0 HG3 PRO A 88 -43.557 -4.101 -35.087 1.00 71.21 H new ATOM 0 HD2 PRO A 88 -42.041 -2.171 -33.907 1.00 4.03 H new ATOM 0 HD3 PRO A 88 -43.777 -2.240 -33.677 1.00 4.03 H new ATOM 1480 N THR A 89 -41.587 -6.356 -30.765 1.00 60.41 N ATOM 1481 CA THR A 89 -40.402 -7.108 -30.370 1.00 52.21 C ATOM 1482 C THR A 89 -39.787 -7.832 -31.563 1.00 12.33 C ATOM 1483 O THR A 89 -38.672 -8.345 -31.482 1.00 20.11 O ATOM 1484 CB THR A 89 -40.730 -8.139 -29.273 1.00 12.33 C ATOM 1485 OG1 THR A 89 -42.086 -8.580 -29.404 1.00 41.44 O ATOM 1486 CG2 THR A 89 -40.517 -7.543 -27.890 1.00 51.41 C ATOM 0 H THR A 89 -42.463 -6.725 -30.395 1.00 60.41 H new ATOM 0 HA THR A 89 -39.686 -6.386 -29.978 1.00 52.21 H new ATOM 0 HB THR A 89 -40.059 -8.990 -29.393 1.00 12.33 H new ATOM 0 HG1 THR A 89 -42.286 -9.236 -28.704 1.00 41.44 H new ATOM 0 HG21 THR A 89 -40.755 -8.289 -27.132 1.00 51.41 H new ATOM 0 HG22 THR A 89 -39.477 -7.235 -27.783 1.00 51.41 H new ATOM 0 HG23 THR A 89 -41.167 -6.677 -27.763 1.00 51.41 H new ATOM 1494 N ALA A 90 -40.522 -7.866 -32.670 1.00 65.23 N ATOM 1495 CA ALA A 90 -40.046 -8.525 -33.881 1.00 14.20 C ATOM 1496 C ALA A 90 -39.177 -7.586 -34.710 1.00 64.04 C ATOM 1497 O ALA A 90 -38.459 -8.022 -35.611 1.00 20.34 O ATOM 1498 CB ALA A 90 -41.223 -9.024 -34.707 1.00 4.51 C ATOM 0 H ALA A 90 -41.448 -7.446 -32.754 1.00 65.23 H new ATOM 0 HA ALA A 90 -39.435 -9.378 -33.586 1.00 14.20 H new ATOM 0 HB1 ALA A 90 -40.854 -9.514 -35.608 1.00 4.51 H new ATOM 0 HB2 ALA A 90 -41.804 -9.735 -34.120 1.00 4.51 H new ATOM 0 HB3 ALA A 90 -41.855 -8.181 -34.986 1.00 4.51 H new ATOM 1504 N ALA A 91 -39.246 -6.295 -34.402 1.00 22.14 N ATOM 1505 CA ALA A 91 -38.462 -5.295 -35.118 1.00 74.54 C ATOM 1506 C ALA A 91 -36.974 -5.454 -34.830 1.00 31.00 C ATOM 1507 O ALA A 91 -36.567 -6.348 -34.087 1.00 64.21 O ATOM 1508 CB ALA A 91 -38.927 -3.895 -34.747 1.00 35.42 C ATOM 0 H ALA A 91 -39.837 -5.917 -33.661 1.00 22.14 H new ATOM 0 HA ALA A 91 -38.616 -5.446 -36.186 1.00 74.54 H new ATOM 0 HB1 ALA A 91 -38.333 -3.159 -35.289 1.00 35.42 H new ATOM 0 HB2 ALA A 91 -39.978 -3.779 -35.011 1.00 35.42 H new ATOM 0 HB3 ALA A 91 -38.803 -3.743 -33.675 1.00 35.42 H new ATOM 1514 N LEU A 92 -36.165 -4.582 -35.423 1.00 24.34 N ATOM 1515 CA LEU A 92 -34.720 -4.626 -35.230 1.00 24.42 C ATOM 1516 C LEU A 92 -34.172 -3.242 -34.900 1.00 41.43 C ATOM 1517 O LEU A 92 -34.723 -2.228 -35.328 1.00 50.32 O ATOM 1518 CB LEU A 92 -34.035 -5.174 -36.483 1.00 23.23 C ATOM 1519 CG LEU A 92 -32.849 -6.109 -36.245 1.00 65.40 C ATOM 1520 CD1 LEU A 92 -32.851 -7.242 -37.261 1.00 20.55 C ATOM 1521 CD2 LEU A 92 -31.539 -5.337 -36.309 1.00 12.12 C ATOM 0 H LEU A 92 -36.485 -3.837 -36.041 1.00 24.34 H new ATOM 0 HA LEU A 92 -34.510 -5.288 -34.390 1.00 24.42 H new ATOM 0 HB2 LEU A 92 -34.779 -5.707 -37.076 1.00 23.23 H new ATOM 0 HB3 LEU A 92 -33.693 -4.331 -37.084 1.00 23.23 H new ATOM 0 HG LEU A 92 -32.945 -6.540 -35.249 1.00 65.40 H new ATOM 0 HD11 LEU A 92 -32.000 -7.898 -37.077 1.00 20.55 H new ATOM 0 HD12 LEU A 92 -33.775 -7.812 -37.168 1.00 20.55 H new ATOM 0 HD13 LEU A 92 -32.779 -6.829 -38.267 1.00 20.55 H new ATOM 0 HD21 LEU A 92 -30.706 -6.019 -36.137 1.00 12.12 H new ATOM 0 HD22 LEU A 92 -31.435 -4.878 -37.292 1.00 12.12 H new ATOM 0 HD23 LEU A 92 -31.536 -4.561 -35.544 1.00 12.12 H new ATOM 1533 N MET A 93 -33.083 -3.207 -34.139 1.00 63.31 N ATOM 1534 CA MET A 93 -32.459 -1.946 -33.756 1.00 43.13 C ATOM 1535 C MET A 93 -31.915 -1.215 -34.980 1.00 14.34 C ATOM 1536 O MET A 93 -32.131 -0.013 -35.142 1.00 3.13 O ATOM 1537 CB MET A 93 -31.330 -2.195 -32.754 1.00 33.01 C ATOM 1538 CG MET A 93 -31.769 -2.975 -31.525 1.00 13.10 C ATOM 1539 SD MET A 93 -32.570 -1.932 -30.291 1.00 30.14 S ATOM 1540 CE MET A 93 -31.159 -1.424 -29.311 1.00 40.34 C ATOM 0 H MET A 93 -32.615 -4.037 -33.776 1.00 63.31 H new ATOM 0 HA MET A 93 -33.219 -1.320 -33.288 1.00 43.13 H new ATOM 0 HB2 MET A 93 -30.527 -2.739 -33.252 1.00 33.01 H new ATOM 0 HB3 MET A 93 -30.918 -1.237 -32.438 1.00 33.01 H new ATOM 0 HG2 MET A 93 -32.455 -3.766 -31.827 1.00 13.10 H new ATOM 0 HG3 MET A 93 -30.901 -3.460 -31.078 1.00 13.10 H new ATOM 0 HE1 MET A 93 -31.448 -0.602 -28.656 1.00 40.34 H new ATOM 0 HE2 MET A 93 -30.814 -2.264 -28.708 1.00 40.34 H new ATOM 0 HE3 MET A 93 -30.356 -1.097 -29.972 1.00 40.34 H new ATOM 1550 N SER A 94 -31.210 -1.946 -35.836 1.00 52.22 N ATOM 1551 CA SER A 94 -30.633 -1.365 -37.043 1.00 11.14 C ATOM 1552 C SER A 94 -31.716 -0.740 -37.917 1.00 21.21 C ATOM 1553 O SER A 94 -31.449 0.172 -38.698 1.00 14.50 O ATOM 1554 CB SER A 94 -29.874 -2.431 -37.835 1.00 34.53 C ATOM 1555 OG SER A 94 -29.630 -2.002 -39.164 1.00 25.55 O ATOM 0 H SER A 94 -31.024 -2.942 -35.717 1.00 52.22 H new ATOM 0 HA SER A 94 -29.937 -0.582 -36.742 1.00 11.14 H new ATOM 0 HB2 SER A 94 -28.928 -2.651 -37.341 1.00 34.53 H new ATOM 0 HB3 SER A 94 -30.449 -3.357 -37.848 1.00 34.53 H new ATOM 0 HG SER A 94 -29.142 -2.700 -39.649 1.00 25.55 H new ATOM 1561 N ALA A 95 -32.941 -1.240 -37.778 1.00 43.45 N ATOM 1562 CA ALA A 95 -34.065 -0.730 -38.553 1.00 71.42 C ATOM 1563 C ALA A 95 -34.669 0.506 -37.897 1.00 21.22 C ATOM 1564 O ALA A 95 -34.903 1.519 -38.556 1.00 53.42 O ATOM 1565 CB ALA A 95 -35.123 -1.811 -38.721 1.00 63.11 C ATOM 0 H ALA A 95 -33.179 -1.997 -37.137 1.00 43.45 H new ATOM 0 HA ALA A 95 -33.695 -0.442 -39.537 1.00 71.42 H new ATOM 0 HB1 ALA A 95 -35.957 -1.417 -39.302 1.00 63.11 H new ATOM 0 HB2 ALA A 95 -34.691 -2.666 -39.241 1.00 63.11 H new ATOM 0 HB3 ALA A 95 -35.480 -2.126 -37.741 1.00 63.11 H new ATOM 1571 N ILE A 96 -34.920 0.415 -36.595 1.00 51.50 N ATOM 1572 CA ILE A 96 -35.497 1.528 -35.850 1.00 14.03 C ATOM 1573 C ILE A 96 -34.509 2.684 -35.734 1.00 61.10 C ATOM 1574 O ILE A 96 -34.825 3.822 -36.081 1.00 75.24 O ATOM 1575 CB ILE A 96 -35.929 1.094 -34.437 1.00 15.51 C ATOM 1576 CG1 ILE A 96 -36.895 -0.090 -34.516 1.00 64.33 C ATOM 1577 CG2 ILE A 96 -36.573 2.259 -33.699 1.00 74.15 C ATOM 1578 CD1 ILE A 96 -38.279 0.288 -34.996 1.00 44.01 C ATOM 0 H ILE A 96 -34.733 -0.417 -36.035 1.00 51.50 H new ATOM 0 HA ILE A 96 -36.375 1.858 -36.405 1.00 14.03 H new ATOM 0 HB ILE A 96 -35.044 0.781 -33.883 1.00 15.51 H new ATOM 0 HG12 ILE A 96 -36.480 -0.843 -35.187 1.00 64.33 H new ATOM 0 HG13 ILE A 96 -36.974 -0.550 -33.531 1.00 64.33 H new ATOM 0 HG21 ILE A 96 -36.873 1.937 -32.702 1.00 74.15 H new ATOM 0 HG22 ILE A 96 -35.858 3.077 -33.616 1.00 74.15 H new ATOM 0 HG23 ILE A 96 -37.450 2.598 -34.250 1.00 74.15 H new ATOM 0 HD11 ILE A 96 -38.909 -0.601 -35.027 1.00 44.01 H new ATOM 0 HD12 ILE A 96 -38.714 1.018 -34.313 1.00 44.01 H new ATOM 0 HD13 ILE A 96 -38.212 0.720 -35.994 1.00 44.01 H new ATOM 1590 N TYR A 97 -33.311 2.384 -35.246 1.00 61.45 N ATOM 1591 CA TYR A 97 -32.275 3.398 -35.085 1.00 33.44 C ATOM 1592 C TYR A 97 -32.059 4.167 -36.384 1.00 62.32 C ATOM 1593 O TYR A 97 -31.660 5.330 -36.369 1.00 1.50 O ATOM 1594 CB TYR A 97 -30.964 2.750 -34.637 1.00 50.34 C ATOM 1595 CG TYR A 97 -29.756 3.641 -34.820 1.00 64.21 C ATOM 1596 CD1 TYR A 97 -29.077 3.684 -36.031 1.00 23.00 C ATOM 1597 CD2 TYR A 97 -29.294 4.440 -33.781 1.00 42.13 C ATOM 1598 CE1 TYR A 97 -27.972 4.495 -36.203 1.00 3.51 C ATOM 1599 CE2 TYR A 97 -28.192 5.256 -33.944 1.00 44.43 C ATOM 1600 CZ TYR A 97 -27.534 5.280 -35.156 1.00 41.35 C ATOM 1601 OH TYR A 97 -26.434 6.091 -35.324 1.00 21.14 O ATOM 0 H TYR A 97 -33.033 1.447 -34.955 1.00 61.45 H new ATOM 0 HA TYR A 97 -32.605 4.101 -34.320 1.00 33.44 H new ATOM 0 HB2 TYR A 97 -31.045 2.474 -33.586 1.00 50.34 H new ATOM 0 HB3 TYR A 97 -30.814 1.828 -35.198 1.00 50.34 H new ATOM 0 HD1 TYR A 97 -29.419 3.072 -36.853 1.00 23.00 H new ATOM 0 HD2 TYR A 97 -29.806 4.422 -32.830 1.00 42.13 H new ATOM 0 HE1 TYR A 97 -27.454 4.515 -37.151 1.00 3.51 H new ATOM 0 HE2 TYR A 97 -27.847 5.872 -33.127 1.00 44.43 H new ATOM 0 HH TYR A 97 -26.557 6.919 -34.815 1.00 21.14 H new ATOM 1611 N GLN A 98 -32.324 3.505 -37.506 1.00 1.50 N ATOM 1612 CA GLN A 98 -32.158 4.127 -38.815 1.00 73.34 C ATOM 1613 C GLN A 98 -32.745 5.535 -38.828 1.00 65.24 C ATOM 1614 O GLN A 98 -32.070 6.494 -39.202 1.00 62.25 O ATOM 1615 CB GLN A 98 -32.825 3.275 -39.896 1.00 33.33 C ATOM 1616 CG GLN A 98 -32.115 3.328 -41.239 1.00 45.10 C ATOM 1617 CD GLN A 98 -33.055 3.105 -42.406 1.00 15.21 C ATOM 1618 OE1 GLN A 98 -33.042 2.047 -43.036 1.00 73.31 O ATOM 1619 NE2 GLN A 98 -33.879 4.104 -42.702 1.00 63.01 N ATOM 0 H GLN A 98 -32.654 2.540 -37.535 1.00 1.50 H new ATOM 0 HA GLN A 98 -31.090 4.196 -39.023 1.00 73.34 H new ATOM 0 HB2 GLN A 98 -32.866 2.240 -39.557 1.00 33.33 H new ATOM 0 HB3 GLN A 98 -33.855 3.609 -40.026 1.00 33.33 H new ATOM 0 HG2 GLN A 98 -31.628 4.297 -41.350 1.00 45.10 H new ATOM 0 HG3 GLN A 98 -31.330 2.572 -41.260 1.00 45.10 H new ATOM 0 HE21 GLN A 98 -33.856 4.964 -42.153 1.00 63.01 H new ATOM 0 HE22 GLN A 98 -34.535 4.011 -43.478 1.00 63.01 H new ATOM 1628 N GLU A 99 -34.003 5.650 -38.417 1.00 11.34 N ATOM 1629 CA GLU A 99 -34.680 6.942 -38.383 1.00 4.25 C ATOM 1630 C GLU A 99 -34.819 7.445 -36.949 1.00 43.42 C ATOM 1631 O GLU A 99 -35.179 8.600 -36.717 1.00 20.23 O ATOM 1632 CB GLU A 99 -36.059 6.837 -39.035 1.00 52.02 C ATOM 1633 CG GLU A 99 -36.807 5.565 -38.676 1.00 75.32 C ATOM 1634 CD GLU A 99 -38.288 5.801 -38.451 1.00 61.01 C ATOM 1635 OE1 GLU A 99 -38.636 6.505 -37.479 1.00 62.45 O ATOM 1636 OE2 GLU A 99 -39.099 5.283 -39.247 1.00 22.21 O ATOM 0 H GLU A 99 -34.574 4.866 -38.103 1.00 11.34 H new ATOM 0 HA GLU A 99 -34.076 7.656 -38.943 1.00 4.25 H new ATOM 0 HB2 GLU A 99 -36.659 7.697 -38.737 1.00 52.02 H new ATOM 0 HB3 GLU A 99 -35.944 6.888 -40.118 1.00 52.02 H new ATOM 0 HG2 GLU A 99 -36.677 4.834 -39.474 1.00 75.32 H new ATOM 0 HG3 GLU A 99 -36.371 5.134 -37.775 1.00 75.32 H new ATOM 1643 N HIS A 100 -34.532 6.571 -35.990 1.00 73.54 N ATOM 1644 CA HIS A 100 -34.625 6.925 -34.579 1.00 72.30 C ATOM 1645 C HIS A 100 -33.257 7.308 -34.023 1.00 54.24 C ATOM 1646 O HIS A 100 -33.052 7.331 -32.810 1.00 24.23 O ATOM 1647 CB HIS A 100 -35.207 5.761 -33.776 1.00 3.04 C ATOM 1648 CG HIS A 100 -36.678 5.570 -33.977 1.00 13.40 C ATOM 1649 ND1 HIS A 100 -37.619 5.929 -33.036 1.00 34.54 N ATOM 1650 CD2 HIS A 100 -37.371 5.057 -35.022 1.00 2.24 C ATOM 1651 CE1 HIS A 100 -38.827 5.642 -33.491 1.00 3.41 C ATOM 1652 NE2 HIS A 100 -38.702 5.113 -34.694 1.00 74.15 N ATOM 0 H HIS A 100 -34.233 5.612 -36.165 1.00 73.54 H new ATOM 0 HA HIS A 100 -35.288 7.786 -34.489 1.00 72.30 H new ATOM 0 HB2 HIS A 100 -34.689 4.843 -34.054 1.00 3.04 H new ATOM 0 HB3 HIS A 100 -35.012 5.928 -32.717 1.00 3.04 H new ATOM 0 HD2 HIS A 100 -36.953 4.675 -35.942 1.00 2.24 H new ATOM 0 HE1 HIS A 100 -39.757 5.811 -32.968 1.00 3.41 H new ATOM 0 HE2 HIS A 100 -39.471 4.797 -35.285 1.00 74.15 H new ATOM 1660 N LYS A 101 -32.323 7.609 -34.919 1.00 71.35 N ATOM 1661 CA LYS A 101 -30.974 7.992 -34.520 1.00 21.23 C ATOM 1662 C LYS A 101 -30.859 9.506 -34.373 1.00 72.34 C ATOM 1663 O LYS A 101 -31.203 10.255 -35.288 1.00 30.21 O ATOM 1664 CB LYS A 101 -29.955 7.489 -35.545 1.00 52.51 C ATOM 1665 CG LYS A 101 -30.275 7.900 -36.972 1.00 63.34 C ATOM 1666 CD LYS A 101 -29.081 7.698 -37.890 1.00 71.14 C ATOM 1667 CE LYS A 101 -29.237 6.447 -38.741 1.00 15.13 C ATOM 1668 NZ LYS A 101 -27.921 5.903 -39.175 1.00 22.14 N ATOM 0 H LYS A 101 -32.476 7.595 -35.927 1.00 71.35 H new ATOM 0 HA LYS A 101 -30.764 7.534 -33.553 1.00 21.23 H new ATOM 0 HB2 LYS A 101 -28.968 7.867 -35.279 1.00 52.51 H new ATOM 0 HB3 LYS A 101 -29.905 6.401 -35.491 1.00 52.51 H new ATOM 0 HG2 LYS A 101 -31.120 7.317 -37.339 1.00 63.34 H new ATOM 0 HG3 LYS A 101 -30.577 8.947 -36.991 1.00 63.34 H new ATOM 0 HD2 LYS A 101 -28.967 8.568 -38.537 1.00 71.14 H new ATOM 0 HD3 LYS A 101 -28.171 7.623 -37.294 1.00 71.14 H new ATOM 0 HE2 LYS A 101 -29.775 5.687 -38.174 1.00 15.13 H new ATOM 0 HE3 LYS A 101 -29.842 6.678 -39.618 1.00 15.13 H new ATOM 0 HZ1 LYS A 101 -28.012 4.885 -39.366 1.00 22.14 H new ATOM 0 HZ2 LYS A 101 -27.611 6.391 -40.039 1.00 22.14 H new ATOM 0 HZ3 LYS A 101 -27.219 6.052 -38.423 1.00 22.14 H new ATOM 1682 N ASP A 102 -30.373 9.949 -33.219 1.00 61.50 N ATOM 1683 CA ASP A 102 -30.211 11.372 -32.954 1.00 0.54 C ATOM 1684 C ASP A 102 -29.482 12.060 -34.104 1.00 50.31 C ATOM 1685 O ASP A 102 -28.786 11.414 -34.888 1.00 74.02 O ATOM 1686 CB ASP A 102 -29.443 11.586 -31.648 1.00 63.31 C ATOM 1687 CG ASP A 102 -29.284 13.053 -31.303 1.00 13.35 C ATOM 1688 OD1 ASP A 102 -30.292 13.789 -31.363 1.00 5.30 O ATOM 1689 OD2 ASP A 102 -28.153 13.467 -30.973 1.00 52.32 O ATOM 0 H ASP A 102 -30.084 9.342 -32.452 1.00 61.50 H new ATOM 0 HA ASP A 102 -31.203 11.813 -32.860 1.00 0.54 H new ATOM 0 HB2 ASP A 102 -29.965 11.079 -30.836 1.00 63.31 H new ATOM 0 HB3 ASP A 102 -28.458 11.126 -31.730 1.00 63.31 H new ATOM 1694 N LYS A 103 -29.648 13.375 -34.202 1.00 24.40 N ATOM 1695 CA LYS A 103 -29.006 14.151 -35.256 1.00 42.20 C ATOM 1696 C LYS A 103 -27.493 14.175 -35.070 1.00 63.32 C ATOM 1697 O LYS A 103 -26.753 14.574 -35.971 1.00 52.31 O ATOM 1698 CB LYS A 103 -29.551 15.581 -35.268 1.00 12.52 C ATOM 1699 CG LYS A 103 -31.031 15.666 -35.599 1.00 63.11 C ATOM 1700 CD LYS A 103 -31.274 15.567 -37.096 1.00 60.40 C ATOM 1701 CE LYS A 103 -31.072 16.908 -37.783 1.00 72.12 C ATOM 1702 NZ LYS A 103 -32.075 17.915 -37.339 1.00 73.02 N ATOM 0 H LYS A 103 -30.222 13.926 -33.564 1.00 24.40 H new ATOM 0 HA LYS A 103 -29.229 13.675 -36.211 1.00 42.20 H new ATOM 0 HB2 LYS A 103 -29.379 16.034 -34.292 1.00 12.52 H new ATOM 0 HB3 LYS A 103 -28.990 16.168 -35.995 1.00 12.52 H new ATOM 0 HG2 LYS A 103 -31.565 14.865 -35.089 1.00 63.11 H new ATOM 0 HG3 LYS A 103 -31.435 16.607 -35.225 1.00 63.11 H new ATOM 0 HD2 LYS A 103 -30.597 14.830 -37.528 1.00 60.40 H new ATOM 0 HD3 LYS A 103 -32.289 15.213 -37.278 1.00 60.40 H new ATOM 0 HE2 LYS A 103 -30.068 17.277 -37.571 1.00 72.12 H new ATOM 0 HE3 LYS A 103 -31.142 16.777 -38.863 1.00 72.12 H new ATOM 0 HZ1 LYS A 103 -32.171 18.653 -38.065 1.00 73.02 H new ATOM 0 HZ2 LYS A 103 -32.994 17.450 -37.195 1.00 73.02 H new ATOM 0 HZ3 LYS A 103 -31.762 18.346 -36.446 1.00 73.02 H new ATOM 1716 N ASP A 104 -27.038 13.742 -33.900 1.00 1.45 N ATOM 1717 CA ASP A 104 -25.611 13.711 -33.597 1.00 40.34 C ATOM 1718 C ASP A 104 -25.067 12.290 -33.692 1.00 24.44 C ATOM 1719 O ASP A 104 -23.990 11.991 -33.177 1.00 33.40 O ATOM 1720 CB ASP A 104 -25.352 14.279 -32.201 1.00 4.01 C ATOM 1721 CG ASP A 104 -26.059 15.600 -31.972 1.00 54.21 C ATOM 1722 OD1 ASP A 104 -25.962 16.485 -32.847 1.00 62.23 O ATOM 1723 OD2 ASP A 104 -26.711 15.748 -30.917 1.00 0.13 O ATOM 0 H ASP A 104 -27.636 13.407 -33.145 1.00 1.45 H new ATOM 0 HA ASP A 104 -25.094 14.328 -34.332 1.00 40.34 H new ATOM 0 HB2 ASP A 104 -25.682 13.559 -31.452 1.00 4.01 H new ATOM 0 HB3 ASP A 104 -24.280 14.415 -32.061 1.00 4.01 H new ATOM 1728 N GLY A 105 -25.819 11.415 -34.353 1.00 53.30 N ATOM 1729 CA GLY A 105 -25.397 10.036 -34.502 1.00 21.54 C ATOM 1730 C GLY A 105 -25.841 9.164 -33.343 1.00 40.52 C ATOM 1731 O GLY A 105 -26.372 8.073 -33.546 1.00 33.01 O ATOM 0 H GLY A 105 -26.714 11.638 -34.788 1.00 53.30 H new ATOM 0 HA2 GLY A 105 -25.802 9.634 -35.431 1.00 21.54 H new ATOM 0 HA3 GLY A 105 -24.311 9.999 -34.585 1.00 21.54 H new ATOM 1735 N PHE A 106 -25.622 9.648 -32.125 1.00 20.44 N ATOM 1736 CA PHE A 106 -26.001 8.904 -30.928 1.00 43.21 C ATOM 1737 C PHE A 106 -27.452 8.440 -31.014 1.00 53.10 C ATOM 1738 O PHE A 106 -28.205 8.874 -31.887 1.00 63.45 O ATOM 1739 CB PHE A 106 -25.803 9.768 -29.681 1.00 63.20 C ATOM 1740 CG PHE A 106 -24.373 10.160 -29.444 1.00 43.44 C ATOM 1741 CD1 PHE A 106 -23.463 9.243 -28.943 1.00 40.01 C ATOM 1742 CD2 PHE A 106 -23.937 11.446 -29.724 1.00 34.32 C ATOM 1743 CE1 PHE A 106 -22.146 9.600 -28.724 1.00 4.42 C ATOM 1744 CE2 PHE A 106 -22.621 11.808 -29.508 1.00 24.25 C ATOM 1745 CZ PHE A 106 -21.725 10.885 -29.006 1.00 64.14 C ATOM 0 H PHE A 106 -25.185 10.551 -31.940 1.00 20.44 H new ATOM 0 HA PHE A 106 -25.360 8.025 -30.858 1.00 43.21 H new ATOM 0 HB2 PHE A 106 -26.408 10.670 -29.774 1.00 63.20 H new ATOM 0 HB3 PHE A 106 -26.172 9.225 -28.811 1.00 63.20 H new ATOM 0 HD1 PHE A 106 -23.787 8.237 -28.721 1.00 40.01 H new ATOM 0 HD2 PHE A 106 -24.634 12.173 -30.115 1.00 34.32 H new ATOM 0 HE1 PHE A 106 -21.447 8.875 -28.333 1.00 4.42 H new ATOM 0 HE2 PHE A 106 -22.293 12.812 -29.732 1.00 24.25 H new ATOM 0 HZ PHE A 106 -20.697 11.167 -28.834 1.00 64.14 H new ATOM 1755 N LEU A 107 -27.838 7.555 -30.101 1.00 64.45 N ATOM 1756 CA LEU A 107 -29.198 7.030 -30.073 1.00 33.52 C ATOM 1757 C LEU A 107 -29.836 7.245 -28.704 1.00 50.02 C ATOM 1758 O LEU A 107 -29.143 7.314 -27.688 1.00 41.25 O ATOM 1759 CB LEU A 107 -29.199 5.540 -30.420 1.00 23.42 C ATOM 1760 CG LEU A 107 -30.542 4.820 -30.289 1.00 51.44 C ATOM 1761 CD1 LEU A 107 -31.565 5.425 -31.237 1.00 54.14 C ATOM 1762 CD2 LEU A 107 -30.378 3.332 -30.557 1.00 61.02 C ATOM 0 H LEU A 107 -27.228 7.186 -29.371 1.00 64.45 H new ATOM 0 HA LEU A 107 -29.785 7.570 -30.816 1.00 33.52 H new ATOM 0 HB2 LEU A 107 -28.847 5.426 -31.445 1.00 23.42 H new ATOM 0 HB3 LEU A 107 -28.476 5.037 -29.777 1.00 23.42 H new ATOM 0 HG LEU A 107 -30.903 4.946 -29.268 1.00 51.44 H new ATOM 0 HD11 LEU A 107 -32.515 4.901 -31.130 1.00 54.14 H new ATOM 0 HD12 LEU A 107 -31.704 6.479 -30.998 1.00 54.14 H new ATOM 0 HD13 LEU A 107 -31.211 5.329 -32.263 1.00 54.14 H new ATOM 0 HD21 LEU A 107 -31.344 2.836 -30.459 1.00 61.02 H new ATOM 0 HD22 LEU A 107 -29.995 3.184 -31.567 1.00 61.02 H new ATOM 0 HD23 LEU A 107 -29.678 2.908 -29.837 1.00 61.02 H new ATOM 1774 N TYR A 108 -31.160 7.347 -28.684 1.00 14.51 N ATOM 1775 CA TYR A 108 -31.892 7.555 -27.439 1.00 51.14 C ATOM 1776 C TYR A 108 -32.865 6.408 -27.182 1.00 2.31 C ATOM 1777 O TYR A 108 -33.804 6.192 -27.948 1.00 63.24 O ATOM 1778 CB TYR A 108 -32.651 8.882 -27.484 1.00 50.43 C ATOM 1779 CG TYR A 108 -31.758 10.095 -27.351 1.00 62.14 C ATOM 1780 CD1 TYR A 108 -31.157 10.409 -26.138 1.00 45.02 C ATOM 1781 CD2 TYR A 108 -31.516 10.927 -28.437 1.00 14.13 C ATOM 1782 CE1 TYR A 108 -30.341 11.516 -26.011 1.00 45.31 C ATOM 1783 CE2 TYR A 108 -30.701 12.036 -28.320 1.00 62.11 C ATOM 1784 CZ TYR A 108 -30.115 12.326 -27.105 1.00 52.33 C ATOM 1785 OH TYR A 108 -29.304 13.431 -26.983 1.00 62.45 O ATOM 0 H TYR A 108 -31.749 7.289 -29.515 1.00 14.51 H new ATOM 0 HA TYR A 108 -31.170 7.585 -26.623 1.00 51.14 H new ATOM 0 HB2 TYR A 108 -33.199 8.946 -28.424 1.00 50.43 H new ATOM 0 HB3 TYR A 108 -33.390 8.896 -26.683 1.00 50.43 H new ATOM 0 HD1 TYR A 108 -31.331 9.777 -25.280 1.00 45.02 H new ATOM 0 HD2 TYR A 108 -31.973 10.703 -29.389 1.00 14.13 H new ATOM 0 HE1 TYR A 108 -29.882 11.746 -25.061 1.00 45.31 H new ATOM 0 HE2 TYR A 108 -30.524 12.672 -29.174 1.00 62.11 H new ATOM 0 HH TYR A 108 -29.248 13.893 -27.846 1.00 62.45 H new ATOM 1795 N VAL A 109 -32.634 5.677 -26.096 1.00 73.04 N ATOM 1796 CA VAL A 109 -33.489 4.553 -25.735 1.00 53.23 C ATOM 1797 C VAL A 109 -33.816 4.567 -24.246 1.00 43.34 C ATOM 1798 O VAL A 109 -32.950 4.831 -23.412 1.00 2.01 O ATOM 1799 CB VAL A 109 -32.831 3.208 -26.093 1.00 5.14 C ATOM 1800 CG1 VAL A 109 -32.952 2.933 -27.583 1.00 61.43 C ATOM 1801 CG2 VAL A 109 -31.373 3.197 -25.657 1.00 21.44 C ATOM 0 H VAL A 109 -31.862 5.843 -25.451 1.00 73.04 H new ATOM 0 HA VAL A 109 -34.410 4.661 -26.307 1.00 53.23 H new ATOM 0 HB VAL A 109 -33.353 2.414 -25.559 1.00 5.14 H new ATOM 0 HG11 VAL A 109 -32.481 1.978 -27.816 1.00 61.43 H new ATOM 0 HG12 VAL A 109 -34.005 2.896 -27.862 1.00 61.43 H new ATOM 0 HG13 VAL A 109 -32.457 3.728 -28.141 1.00 61.43 H new ATOM 0 HG21 VAL A 109 -30.923 2.239 -25.917 1.00 21.44 H new ATOM 0 HG22 VAL A 109 -30.836 4.000 -26.162 1.00 21.44 H new ATOM 0 HG23 VAL A 109 -31.315 3.344 -24.579 1.00 21.44 H new ATOM 1811 N THR A 110 -35.072 4.280 -23.918 1.00 42.40 N ATOM 1812 CA THR A 110 -35.514 4.261 -22.530 1.00 0.11 C ATOM 1813 C THR A 110 -36.089 2.900 -22.155 1.00 31.10 C ATOM 1814 O THR A 110 -36.479 2.119 -23.024 1.00 1.50 O ATOM 1815 CB THR A 110 -36.574 5.345 -22.262 1.00 13.33 C ATOM 1816 OG1 THR A 110 -36.411 6.428 -23.185 1.00 13.25 O ATOM 1817 CG2 THR A 110 -36.468 5.865 -20.837 1.00 14.44 C ATOM 0 H THR A 110 -35.801 4.057 -24.596 1.00 42.40 H new ATOM 0 HA THR A 110 -34.636 4.463 -21.916 1.00 0.11 H new ATOM 0 HB THR A 110 -37.560 4.900 -22.396 1.00 13.33 H new ATOM 0 HG1 THR A 110 -37.090 7.113 -23.009 1.00 13.25 H new ATOM 0 HG21 THR A 110 -37.227 6.630 -20.671 1.00 14.44 H new ATOM 0 HG22 THR A 110 -36.622 5.043 -20.137 1.00 14.44 H new ATOM 0 HG23 THR A 110 -35.479 6.295 -20.679 1.00 14.44 H new ATOM 1825 N TYR A 111 -36.140 2.621 -20.857 1.00 70.34 N ATOM 1826 CA TYR A 111 -36.666 1.352 -20.368 1.00 12.24 C ATOM 1827 C TYR A 111 -37.587 1.570 -19.172 1.00 15.02 C ATOM 1828 O TYR A 111 -37.249 2.295 -18.237 1.00 3.34 O ATOM 1829 CB TYR A 111 -35.520 0.417 -19.979 1.00 70.00 C ATOM 1830 CG TYR A 111 -34.833 0.805 -18.689 1.00 10.11 C ATOM 1831 CD1 TYR A 111 -34.078 1.968 -18.604 1.00 33.42 C ATOM 1832 CD2 TYR A 111 -34.940 0.008 -17.555 1.00 62.22 C ATOM 1833 CE1 TYR A 111 -33.447 2.325 -17.427 1.00 54.02 C ATOM 1834 CE2 TYR A 111 -34.314 0.359 -16.375 1.00 30.13 C ATOM 1835 CZ TYR A 111 -33.569 1.518 -16.316 1.00 72.22 C ATOM 1836 OH TYR A 111 -32.944 1.871 -15.142 1.00 43.34 O ATOM 0 H TYR A 111 -35.823 3.257 -20.125 1.00 70.34 H new ATOM 0 HA TYR A 111 -37.244 0.893 -21.170 1.00 12.24 H new ATOM 0 HB2 TYR A 111 -35.907 -0.598 -19.884 1.00 70.00 H new ATOM 0 HB3 TYR A 111 -34.784 0.404 -20.783 1.00 70.00 H new ATOM 0 HD1 TYR A 111 -33.982 2.604 -19.472 1.00 33.42 H new ATOM 0 HD2 TYR A 111 -35.522 -0.901 -17.597 1.00 62.22 H new ATOM 0 HE1 TYR A 111 -32.862 3.231 -17.378 1.00 54.02 H new ATOM 0 HE2 TYR A 111 -34.407 -0.271 -15.503 1.00 30.13 H new ATOM 0 HH TYR A 111 -33.368 1.403 -14.392 1.00 43.34 H new ATOM 1846 N SER A 112 -38.756 0.937 -19.210 1.00 25.41 N ATOM 1847 CA SER A 112 -39.729 1.062 -18.132 1.00 12.35 C ATOM 1848 C SER A 112 -40.664 -0.144 -18.100 1.00 51.44 C ATOM 1849 O SER A 112 -40.777 -0.881 -19.078 1.00 43.30 O ATOM 1850 CB SER A 112 -40.542 2.348 -18.298 1.00 71.20 C ATOM 1851 OG SER A 112 -41.516 2.470 -17.276 1.00 1.43 O ATOM 0 H SER A 112 -39.052 0.332 -19.976 1.00 25.41 H new ATOM 0 HA SER A 112 -39.185 1.103 -17.188 1.00 12.35 H new ATOM 0 HB2 SER A 112 -39.875 3.210 -18.274 1.00 71.20 H new ATOM 0 HB3 SER A 112 -41.030 2.350 -19.272 1.00 71.20 H new ATOM 0 HG SER A 112 -42.123 3.209 -17.489 1.00 1.43 H new ATOM 1857 N GLY A 113 -41.332 -0.337 -16.967 1.00 61.01 N ATOM 1858 CA GLY A 113 -42.248 -1.454 -16.828 1.00 2.24 C ATOM 1859 C GLY A 113 -43.680 -1.073 -17.151 1.00 64.22 C ATOM 1860 O GLY A 113 -44.616 -1.773 -16.766 1.00 50.15 O ATOM 0 H GLY A 113 -41.255 0.260 -16.143 1.00 61.01 H new ATOM 0 HA2 GLY A 113 -41.933 -2.263 -17.487 1.00 2.24 H new ATOM 0 HA3 GLY A 113 -42.198 -1.836 -15.808 1.00 2.24 H new ATOM 1864 N GLU A 114 -43.849 0.039 -17.859 1.00 0.54 N ATOM 1865 CA GLU A 114 -45.178 0.511 -18.231 1.00 12.41 C ATOM 1866 C GLU A 114 -45.088 1.610 -19.286 1.00 53.31 C ATOM 1867 O GLU A 114 -44.033 2.210 -19.485 1.00 3.33 O ATOM 1868 CB GLU A 114 -45.922 1.032 -16.999 1.00 34.31 C ATOM 1869 CG GLU A 114 -45.040 1.815 -16.041 1.00 71.21 C ATOM 1870 CD GLU A 114 -45.796 2.304 -14.821 1.00 22.25 C ATOM 1871 OE1 GLU A 114 -46.991 1.966 -14.689 1.00 4.04 O ATOM 1872 OE2 GLU A 114 -45.193 3.023 -13.997 1.00 50.55 O ATOM 0 H GLU A 114 -43.084 0.629 -18.186 1.00 0.54 H new ATOM 0 HA GLU A 114 -45.730 -0.330 -18.651 1.00 12.41 H new ATOM 0 HB2 GLU A 114 -46.745 1.668 -17.324 1.00 34.31 H new ATOM 0 HB3 GLU A 114 -46.362 0.188 -16.467 1.00 34.31 H new ATOM 0 HG2 GLU A 114 -44.209 1.186 -15.721 1.00 71.21 H new ATOM 0 HG3 GLU A 114 -44.610 2.669 -16.564 1.00 71.21 H new ATOM 1879 N ASN A 115 -46.205 1.868 -19.960 1.00 21.34 N ATOM 1880 CA ASN A 115 -46.254 2.893 -20.995 1.00 64.23 C ATOM 1881 C ASN A 115 -47.078 4.092 -20.536 1.00 32.41 C ATOM 1882 O ASN A 115 -46.944 5.193 -21.071 1.00 34.40 O ATOM 1883 CB ASN A 115 -46.844 2.318 -22.285 1.00 24.22 C ATOM 1884 CG ASN A 115 -47.185 3.395 -23.296 1.00 4.53 C ATOM 1885 OD1 ASN A 115 -48.292 3.428 -23.834 1.00 44.53 O ATOM 1886 ND2 ASN A 115 -46.233 4.283 -23.558 1.00 25.11 N ATOM 0 H ASN A 115 -47.088 1.381 -19.807 1.00 21.34 H new ATOM 0 HA ASN A 115 -45.235 3.228 -21.187 1.00 64.23 H new ATOM 0 HB2 ASN A 115 -46.132 1.621 -22.727 1.00 24.22 H new ATOM 0 HB3 ASN A 115 -47.743 1.749 -22.048 1.00 24.22 H new ATOM 0 HD21 ASN A 115 -46.405 5.032 -24.229 1.00 25.11 H new ATOM 0 HD22 ASN A 115 -45.330 4.217 -23.088 1.00 25.11 H new ATOM 1893 N THR A 116 -47.931 3.870 -19.540 1.00 42.33 N ATOM 1894 CA THR A 116 -48.777 4.931 -19.009 1.00 11.32 C ATOM 1895 C THR A 116 -49.074 4.708 -17.530 1.00 51.12 C ATOM 1896 O THR A 116 -49.921 3.888 -17.175 1.00 24.33 O ATOM 1897 CB THR A 116 -50.107 5.028 -19.780 1.00 25.22 C ATOM 1898 OG1 THR A 116 -50.572 3.717 -20.121 1.00 45.43 O ATOM 1899 CG2 THR A 116 -49.940 5.858 -21.044 1.00 42.31 C ATOM 0 H THR A 116 -48.054 2.965 -19.085 1.00 42.33 H new ATOM 0 HA THR A 116 -48.227 5.865 -19.130 1.00 11.32 H new ATOM 0 HB THR A 116 -50.840 5.517 -19.138 1.00 25.22 H new ATOM 0 HG1 THR A 116 -50.577 3.153 -19.320 1.00 45.43 H new ATOM 0 HG21 THR A 116 -50.892 5.913 -21.572 1.00 42.31 H new ATOM 0 HG22 THR A 116 -49.614 6.864 -20.778 1.00 42.31 H new ATOM 0 HG23 THR A 116 -49.194 5.393 -21.689 1.00 42.31 H new