USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 449 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 103 THR OG1 : rot -0:sc= 1.52 USER MOD Set 1.2: A 105 GLN : amide:sc= 0.583 K(o=2.1,f=0.92) USER MOD Set 2.1: A 95 GLN : amide:sc= -1.49! X(o=0.44!,f=0.65) USER MOD Set 2.2: A 97 ASN : amide:sc= 0.689 K(o=0.44,f=-3.5!) USER MOD Set 2.3: A 108 THR OG1 : rot -81:sc= 1.24 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.35) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN :FLIP amide:sc= -1.24 F(o=-2.3,f=-1.2) USER MOD Single : A 68 SER OG : rot 104:sc= 1.29 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 78 MET CE :methyl -162:sc= -0.0973 (180deg=-0.477) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 ASN :FLIP amide:sc= 0 F(o=-0.85,f=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN :FLIP amide:sc= -0.0199 F(o=-1.8,f=-0.02) USER MOD Single : A 93 GLN :FLIP amide:sc= 0 F(o=-2.2!,f=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 150:sc= 0.552 (180deg=-0.343!) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 659 N GLU A 46 15.256 84.918 -23.630 1.00 65.21 N ATOM 660 CA GLU A 46 15.469 85.024 -25.070 1.00 41.54 C ATOM 661 C GLU A 46 16.414 86.185 -25.367 1.00 5.12 C ATOM 662 O GLU A 46 16.037 87.193 -25.962 1.00 43.23 O ATOM 663 CB GLU A 46 14.148 85.172 -25.835 1.00 55.55 C ATOM 664 CG GLU A 46 14.315 85.024 -27.340 1.00 14.53 C ATOM 665 CD GLU A 46 13.006 85.106 -28.097 1.00 0.14 C ATOM 666 OE1 GLU A 46 12.389 84.046 -28.343 1.00 65.32 O ATOM 667 OE2 GLU A 46 12.601 86.225 -28.466 1.00 5.55 O1- ATOM 0 HA GLU A 46 15.927 84.098 -25.416 1.00 41.54 H new ATOM 0 HB2 GLU A 46 13.441 84.423 -25.478 1.00 55.55 H new ATOM 0 HB3 GLU A 46 13.715 86.148 -25.617 1.00 55.55 H new ATOM 0 HG2 GLU A 46 14.986 85.802 -27.703 1.00 14.53 H new ATOM 0 HG3 GLU A 46 14.791 84.067 -27.554 1.00 14.53 H new ATOM 674 N THR A 47 17.641 86.038 -24.899 1.00 53.34 N ATOM 675 CA THR A 47 18.670 87.039 -25.094 1.00 11.21 C ATOM 676 C THR A 47 19.992 86.350 -25.439 1.00 2.33 C ATOM 677 O THR A 47 20.780 85.987 -24.564 1.00 31.14 O ATOM 678 CB THR A 47 18.810 87.961 -23.858 1.00 14.13 C ATOM 679 OG1 THR A 47 19.901 88.871 -24.029 1.00 60.32 O ATOM 680 CG2 THR A 47 18.996 87.163 -22.572 1.00 31.14 C ATOM 0 H THR A 47 17.950 85.220 -24.373 1.00 53.34 H new ATOM 0 HA THR A 47 18.383 87.681 -25.927 1.00 11.21 H new ATOM 0 HB THR A 47 17.882 88.526 -23.771 1.00 14.13 H new ATOM 0 HG1 THR A 47 19.974 89.447 -23.239 1.00 60.32 H new ATOM 0 HG21 THR A 47 19.090 87.848 -21.729 1.00 31.14 H new ATOM 0 HG22 THR A 47 18.133 86.515 -22.418 1.00 31.14 H new ATOM 0 HG23 THR A 47 19.898 86.555 -22.648 1.00 31.14 H new ATOM 688 N PRO A 48 20.207 86.085 -26.734 1.00 63.35 N ATOM 689 CA PRO A 48 21.352 85.306 -27.199 1.00 21.13 C ATOM 690 C PRO A 48 22.682 86.050 -27.067 1.00 23.22 C ATOM 691 O PRO A 48 23.157 86.678 -28.016 1.00 30.10 O ATOM 692 CB PRO A 48 21.017 85.037 -28.669 1.00 72.10 C ATOM 693 CG PRO A 48 20.139 86.168 -29.071 1.00 2.42 C ATOM 694 CD PRO A 48 19.350 86.533 -27.847 1.00 3.12 C ATOM 0 HA PRO A 48 21.494 84.403 -26.605 1.00 21.13 H new ATOM 0 HB2 PRO A 48 21.919 85.000 -29.280 1.00 72.10 H new ATOM 0 HB3 PRO A 48 20.510 84.080 -28.791 1.00 72.10 H new ATOM 0 HG2 PRO A 48 20.729 87.015 -29.422 1.00 2.42 H new ATOM 0 HG3 PRO A 48 19.479 85.878 -29.889 1.00 2.42 H new ATOM 0 HD2 PRO A 48 19.158 87.605 -27.799 1.00 3.12 H new ATOM 0 HD3 PRO A 48 18.381 86.035 -27.832 1.00 3.12 H new ATOM 702 N SER A 49 23.267 85.991 -25.877 1.00 1.52 N ATOM 703 CA SER A 49 24.590 86.550 -25.647 1.00 71.45 C ATOM 704 C SER A 49 25.657 85.475 -25.826 1.00 5.40 C ATOM 705 O SER A 49 26.432 85.519 -26.778 1.00 55.33 O ATOM 706 CB SER A 49 24.686 87.157 -24.245 1.00 4.01 C ATOM 707 OG SER A 49 23.660 88.108 -24.027 1.00 52.25 O ATOM 0 H SER A 49 22.843 85.560 -25.055 1.00 1.52 H new ATOM 0 HA SER A 49 24.758 87.341 -26.378 1.00 71.45 H new ATOM 0 HB2 SER A 49 24.617 86.366 -23.498 1.00 4.01 H new ATOM 0 HB3 SER A 49 25.659 87.632 -24.117 1.00 4.01 H new ATOM 0 HG SER A 49 23.744 88.479 -23.124 1.00 52.25 H new ATOM 713 N ALA A 50 25.675 84.503 -24.918 1.00 4.34 N ATOM 714 CA ALA A 50 26.644 83.413 -24.982 1.00 71.23 C ATOM 715 C ALA A 50 25.975 82.109 -25.404 1.00 52.43 C ATOM 716 O ALA A 50 26.633 81.085 -25.587 1.00 63.35 O ATOM 717 CB ALA A 50 27.326 83.242 -23.637 1.00 52.42 C ATOM 0 H ALA A 50 25.030 84.448 -24.130 1.00 4.34 H new ATOM 0 HA ALA A 50 27.393 83.667 -25.732 1.00 71.23 H new ATOM 0 HB1 ALA A 50 28.047 82.426 -23.696 1.00 52.42 H new ATOM 0 HB2 ALA A 50 27.842 84.164 -23.371 1.00 52.42 H new ATOM 0 HB3 ALA A 50 26.579 83.012 -22.877 1.00 52.42 H new ATOM 723 N LEU A 51 24.661 82.155 -25.556 1.00 14.24 N ATOM 724 CA LEU A 51 23.891 80.975 -25.934 1.00 65.24 C ATOM 725 C LEU A 51 23.404 81.105 -27.370 1.00 54.11 C ATOM 726 O LEU A 51 22.638 80.274 -27.857 1.00 73.42 O ATOM 727 CB LEU A 51 22.691 80.772 -24.995 1.00 34.13 C ATOM 728 CG LEU A 51 21.653 81.903 -24.989 1.00 14.14 C ATOM 729 CD1 LEU A 51 20.273 81.350 -24.674 1.00 42.24 C ATOM 730 CD2 LEU A 51 22.022 82.974 -23.973 1.00 32.32 C ATOM 0 H LEU A 51 24.102 82.998 -25.424 1.00 14.24 H new ATOM 0 HA LEU A 51 24.544 80.106 -25.850 1.00 65.24 H new ATOM 0 HB2 LEU A 51 22.189 79.845 -25.271 1.00 34.13 H new ATOM 0 HB3 LEU A 51 23.065 80.642 -23.980 1.00 34.13 H new ATOM 0 HG LEU A 51 21.641 82.355 -25.981 1.00 14.14 H new ATOM 0 HD11 LEU A 51 19.547 82.163 -24.673 1.00 42.24 H new ATOM 0 HD12 LEU A 51 19.994 80.615 -25.429 1.00 42.24 H new ATOM 0 HD13 LEU A 51 20.287 80.875 -23.693 1.00 42.24 H new ATOM 0 HD21 LEU A 51 21.271 83.764 -23.988 1.00 32.32 H new ATOM 0 HD22 LEU A 51 22.064 82.532 -22.977 1.00 32.32 H new ATOM 0 HD23 LEU A 51 22.996 83.394 -24.225 1.00 32.32 H new ATOM 742 N ASP A 52 23.884 82.139 -28.049 1.00 2.23 N ATOM 743 CA ASP A 52 23.418 82.469 -29.389 1.00 12.25 C ATOM 744 C ASP A 52 23.855 81.417 -30.400 1.00 34.31 C ATOM 745 O ASP A 52 23.026 80.867 -31.118 1.00 33.15 O ATOM 746 CB ASP A 52 23.910 83.861 -29.806 1.00 5.20 C ATOM 747 CG ASP A 52 25.420 83.973 -29.904 1.00 62.52 C ATOM 748 OD1 ASP A 52 26.121 83.451 -29.012 1.00 12.41 O ATOM 749 OD2 ASP A 52 25.905 84.595 -30.872 1.00 63.02 O1- ATOM 0 H ASP A 52 24.602 82.768 -27.690 1.00 2.23 H new ATOM 0 HA ASP A 52 22.328 82.481 -29.371 1.00 12.25 H new ATOM 0 HB2 ASP A 52 23.473 84.117 -30.771 1.00 5.20 H new ATOM 0 HB3 ASP A 52 23.546 84.595 -29.087 1.00 5.20 H new ATOM 754 N ASN A 53 25.146 81.119 -30.434 1.00 61.25 N ATOM 755 CA ASN A 53 25.669 80.111 -31.351 1.00 42.12 C ATOM 756 C ASN A 53 25.135 78.732 -30.986 1.00 63.01 C ATOM 757 O ASN A 53 24.954 77.873 -31.850 1.00 23.25 O ATOM 758 CB ASN A 53 27.206 80.095 -31.350 1.00 44.53 C ATOM 759 CG ASN A 53 27.805 81.389 -31.868 1.00 73.01 C ATOM 760 OD1 ASN A 53 27.956 81.580 -33.075 1.00 72.42 O ATOM 761 ND2 ASN A 53 28.177 82.278 -30.962 1.00 31.23 N ATOM 0 H ASN A 53 25.850 81.558 -29.840 1.00 61.25 H new ATOM 0 HA ASN A 53 25.333 80.371 -32.355 1.00 42.12 H new ATOM 0 HB2 ASN A 53 27.563 79.915 -30.336 1.00 44.53 H new ATOM 0 HB3 ASN A 53 27.557 79.265 -31.964 1.00 44.53 H new ATOM 0 HD21 ASN A 53 28.605 83.156 -31.255 1.00 31.23 H new ATOM 0 HD22 ASN A 53 28.036 82.085 -29.970 1.00 31.23 H new ATOM 768 N PHE A 54 24.855 78.544 -29.703 1.00 22.14 N ATOM 769 CA PHE A 54 24.360 77.271 -29.196 1.00 43.23 C ATOM 770 C PHE A 54 22.965 76.970 -29.746 1.00 0.30 C ATOM 771 O PHE A 54 22.780 76.006 -30.488 1.00 51.31 O ATOM 772 CB PHE A 54 24.339 77.290 -27.662 1.00 64.13 C ATOM 773 CG PHE A 54 23.829 76.016 -27.046 1.00 32.43 C ATOM 774 CD1 PHE A 54 22.626 75.997 -26.357 1.00 20.25 C ATOM 775 CD2 PHE A 54 24.550 74.840 -27.158 1.00 52.44 C ATOM 776 CE1 PHE A 54 22.156 74.828 -25.790 1.00 74.25 C ATOM 777 CE2 PHE A 54 24.084 73.667 -26.594 1.00 41.13 C ATOM 778 CZ PHE A 54 22.885 73.662 -25.909 1.00 1.54 C ATOM 0 H PHE A 54 24.964 79.264 -28.989 1.00 22.14 H new ATOM 0 HA PHE A 54 25.032 76.481 -29.531 1.00 43.23 H new ATOM 0 HB2 PHE A 54 25.348 77.481 -27.296 1.00 64.13 H new ATOM 0 HB3 PHE A 54 23.716 78.119 -27.327 1.00 64.13 H new ATOM 0 HD1 PHE A 54 22.050 76.906 -26.262 1.00 20.25 H new ATOM 0 HD2 PHE A 54 25.488 74.839 -27.693 1.00 52.44 H new ATOM 0 HE1 PHE A 54 21.218 74.827 -25.254 1.00 74.25 H new ATOM 0 HE2 PHE A 54 24.657 72.756 -26.689 1.00 41.13 H new ATOM 0 HZ PHE A 54 22.518 72.747 -25.467 1.00 1.54 H new ATOM 788 N THR A 55 21.995 77.815 -29.410 1.00 75.41 N ATOM 789 CA THR A 55 20.612 77.589 -29.823 1.00 62.12 C ATOM 790 C THR A 55 20.466 77.720 -31.344 1.00 21.25 C ATOM 791 O THR A 55 19.536 77.175 -31.942 1.00 1.24 O ATOM 792 CB THR A 55 19.645 78.563 -29.107 1.00 4.21 C ATOM 793 OG1 THR A 55 18.281 78.204 -29.375 1.00 21.43 O ATOM 794 CG2 THR A 55 19.886 80.001 -29.546 1.00 4.31 C ATOM 0 H THR A 55 22.139 78.659 -28.856 1.00 75.41 H new ATOM 0 HA THR A 55 20.347 76.572 -29.535 1.00 62.12 H new ATOM 0 HB THR A 55 19.836 78.489 -28.036 1.00 4.21 H new ATOM 0 HG1 THR A 55 17.682 78.828 -28.914 1.00 21.43 H new ATOM 0 HG21 THR A 55 19.192 80.661 -29.026 1.00 4.31 H new ATOM 0 HG22 THR A 55 20.910 80.288 -29.305 1.00 4.31 H new ATOM 0 HG23 THR A 55 19.729 80.084 -30.621 1.00 4.31 H new ATOM 802 N GLN A 56 21.413 78.417 -31.963 1.00 32.54 N ATOM 803 CA GLN A 56 21.394 78.630 -33.401 1.00 40.22 C ATOM 804 C GLN A 56 21.661 77.317 -34.120 1.00 42.31 C ATOM 805 O GLN A 56 20.997 76.979 -35.101 1.00 33.50 O ATOM 806 CB GLN A 56 22.449 79.660 -33.803 1.00 24.31 C ATOM 807 CG GLN A 56 22.192 80.297 -35.155 1.00 3.12 C ATOM 808 CD GLN A 56 21.000 81.236 -35.126 1.00 23.51 C ATOM 809 OE1 GLN A 56 19.866 80.830 -35.369 1.00 22.43 O ATOM 810 NE2 GLN A 56 21.255 82.502 -34.835 1.00 51.20 N ATOM 0 H GLN A 56 22.206 78.845 -31.486 1.00 32.54 H new ATOM 0 HA GLN A 56 20.411 79.006 -33.684 1.00 40.22 H new ATOM 0 HB2 GLN A 56 22.489 80.442 -33.044 1.00 24.31 H new ATOM 0 HB3 GLN A 56 23.427 79.179 -33.817 1.00 24.31 H new ATOM 0 HG2 GLN A 56 23.079 80.847 -35.471 1.00 3.12 H new ATOM 0 HG3 GLN A 56 22.020 79.517 -35.896 1.00 3.12 H new ATOM 0 HE21 GLN A 56 22.211 82.798 -34.639 1.00 51.20 H new ATOM 0 HE22 GLN A 56 20.495 83.182 -34.806 1.00 51.20 H new ATOM 819 N ALA A 57 22.637 76.574 -33.609 1.00 43.12 N ATOM 820 CA ALA A 57 22.985 75.273 -34.163 1.00 74.22 C ATOM 821 C ALA A 57 21.846 74.288 -33.950 1.00 13.44 C ATOM 822 O ALA A 57 21.606 73.411 -34.780 1.00 44.41 O ATOM 823 CB ALA A 57 24.268 74.750 -33.531 1.00 32.32 C ATOM 0 H ALA A 57 23.203 76.854 -32.808 1.00 43.12 H new ATOM 0 HA ALA A 57 23.152 75.385 -35.234 1.00 74.22 H new ATOM 0 HB1 ALA A 57 24.513 73.777 -33.957 1.00 32.32 H new ATOM 0 HB2 ALA A 57 25.082 75.448 -33.729 1.00 32.32 H new ATOM 0 HB3 ALA A 57 24.129 74.650 -32.455 1.00 32.32 H new ATOM 829 N ILE A 58 21.131 74.458 -32.843 1.00 52.41 N ATOM 830 CA ILE A 58 19.993 73.608 -32.527 1.00 43.42 C ATOM 831 C ILE A 58 18.895 73.768 -33.574 1.00 42.32 C ATOM 832 O ILE A 58 18.278 72.797 -33.993 1.00 2.22 O ATOM 833 CB ILE A 58 19.414 73.923 -31.134 1.00 4.31 C ATOM 834 CG1 ILE A 58 20.523 73.882 -30.080 1.00 33.32 C ATOM 835 CG2 ILE A 58 18.300 72.938 -30.791 1.00 22.11 C ATOM 836 CD1 ILE A 58 20.026 74.028 -28.658 1.00 75.03 C ATOM 0 H ILE A 58 21.322 75.180 -32.148 1.00 52.41 H new ATOM 0 HA ILE A 58 20.354 72.579 -32.528 1.00 43.42 H new ATOM 0 HB ILE A 58 18.990 74.927 -31.145 1.00 4.31 H new ATOM 0 HG12 ILE A 58 21.062 72.939 -30.171 1.00 33.32 H new ATOM 0 HG13 ILE A 58 21.237 74.678 -30.288 1.00 33.32 H new ATOM 0 HG21 ILE A 58 17.899 73.171 -29.805 1.00 22.11 H new ATOM 0 HG22 ILE A 58 17.505 73.015 -31.533 1.00 22.11 H new ATOM 0 HG23 ILE A 58 18.699 71.924 -30.790 1.00 22.11 H new ATOM 0 HD11 ILE A 58 20.872 73.989 -27.971 1.00 75.03 H new ATOM 0 HD12 ILE A 58 19.513 74.984 -28.548 1.00 75.03 H new ATOM 0 HD13 ILE A 58 19.335 73.217 -28.429 1.00 75.03 H new ATOM 848 N GLN A 59 18.680 75.000 -34.015 1.00 20.32 N ATOM 849 CA GLN A 59 17.677 75.284 -35.037 1.00 43.14 C ATOM 850 C GLN A 59 18.042 74.620 -36.364 1.00 30.01 C ATOM 851 O GLN A 59 17.170 74.330 -37.183 1.00 22.32 O ATOM 852 CB GLN A 59 17.535 76.794 -35.230 1.00 0.24 C ATOM 853 CG GLN A 59 17.031 77.528 -33.998 1.00 33.03 C ATOM 854 CD GLN A 59 16.990 79.029 -34.197 1.00 32.54 C ATOM 855 OE1 GLN A 59 16.799 79.512 -35.312 1.00 24.13 O ATOM 856 NE2 GLN A 59 17.171 79.774 -33.121 1.00 51.23 N ATOM 0 H GLN A 59 19.186 75.821 -33.682 1.00 20.32 H new ATOM 0 HA GLN A 59 16.725 74.874 -34.700 1.00 43.14 H new ATOM 0 HB2 GLN A 59 18.503 77.206 -35.516 1.00 0.24 H new ATOM 0 HB3 GLN A 59 16.851 76.982 -36.058 1.00 0.24 H new ATOM 0 HG2 GLN A 59 16.032 77.170 -33.748 1.00 33.03 H new ATOM 0 HG3 GLN A 59 17.675 77.294 -33.150 1.00 33.03 H new ATOM 0 HE21 GLN A 59 17.326 79.332 -32.215 1.00 51.23 H new ATOM 0 HE22 GLN A 59 17.155 80.791 -33.196 1.00 51.23 H new ATOM 865 N SER A 60 19.329 74.371 -36.562 1.00 51.04 N ATOM 866 CA SER A 60 19.814 73.780 -37.799 1.00 11.41 C ATOM 867 C SER A 60 19.821 72.255 -37.704 1.00 54.31 C ATOM 868 O SER A 60 19.467 71.563 -38.660 1.00 71.15 O ATOM 869 CB SER A 60 21.220 74.296 -38.106 1.00 73.34 C ATOM 870 OG SER A 60 21.639 73.920 -39.405 1.00 3.51 O ATOM 0 H SER A 60 20.058 74.571 -35.877 1.00 51.04 H new ATOM 0 HA SER A 60 19.143 74.069 -38.608 1.00 11.41 H new ATOM 0 HB2 SER A 60 21.237 75.382 -38.017 1.00 73.34 H new ATOM 0 HB3 SER A 60 21.921 73.905 -37.369 1.00 73.34 H new ATOM 0 HG SER A 60 22.541 74.266 -39.571 1.00 3.51 H new ATOM 876 N GLN A 61 20.194 71.733 -36.536 1.00 30.10 N ATOM 877 CA GLN A 61 20.290 70.285 -36.340 1.00 24.42 C ATOM 878 C GLN A 61 18.909 69.633 -36.410 1.00 14.32 C ATOM 879 O GLN A 61 18.791 68.416 -36.533 1.00 1.12 O ATOM 880 CB GLN A 61 20.980 69.958 -35.007 1.00 64.21 C ATOM 881 CG GLN A 61 20.189 70.383 -33.780 1.00 32.32 C ATOM 882 CD GLN A 61 20.934 70.158 -32.474 1.00 64.01 C ATOM 883 OE1 GLN A 61 22.255 70.262 -32.504 1.00 52.54 O flip ATOM 884 NE2 GLN A 61 20.322 69.904 -31.438 1.00 61.52 N flip ATOM 0 H GLN A 61 20.434 72.287 -35.714 1.00 30.10 H new ATOM 0 HA GLN A 61 20.899 69.876 -37.146 1.00 24.42 H new ATOM 0 HB2 GLN A 61 21.160 68.884 -34.957 1.00 64.21 H new ATOM 0 HB3 GLN A 61 21.955 70.446 -34.985 1.00 64.21 H new ATOM 0 HG2 GLN A 61 19.936 71.440 -33.868 1.00 32.32 H new ATOM 0 HG3 GLN A 61 19.249 69.831 -33.753 1.00 32.32 H new ATOM 0 HE21 GLN A 61 19.305 69.831 -31.451 1.00 61.52 H new ATOM 0 HE22 GLN A 61 20.832 69.766 -30.565 1.00 61.52 H new ATOM 893 N ILE A 62 17.866 70.457 -36.355 1.00 25.21 N ATOM 894 CA ILE A 62 16.500 69.972 -36.515 1.00 60.23 C ATOM 895 C ILE A 62 16.331 69.371 -37.907 1.00 4.22 C ATOM 896 O ILE A 62 15.612 68.388 -38.095 1.00 73.53 O ATOM 897 CB ILE A 62 15.462 71.105 -36.314 1.00 31.41 C ATOM 898 CG1 ILE A 62 15.593 71.699 -34.913 1.00 75.12 C ATOM 899 CG2 ILE A 62 14.043 70.593 -36.541 1.00 11.33 C ATOM 900 CD1 ILE A 62 14.677 72.880 -34.673 1.00 54.33 C ATOM 0 H ILE A 62 17.941 71.462 -36.201 1.00 25.21 H new ATOM 0 HA ILE A 62 16.323 69.213 -35.753 1.00 60.23 H new ATOM 0 HB ILE A 62 15.663 71.885 -37.049 1.00 31.41 H new ATOM 0 HG12 ILE A 62 15.376 70.925 -34.177 1.00 75.12 H new ATOM 0 HG13 ILE A 62 16.625 72.011 -34.754 1.00 75.12 H new ATOM 0 HG21 ILE A 62 13.334 71.408 -36.394 1.00 11.33 H new ATOM 0 HG22 ILE A 62 13.952 70.212 -37.558 1.00 11.33 H new ATOM 0 HG23 ILE A 62 13.828 69.792 -35.833 1.00 11.33 H new ATOM 0 HD11 ILE A 62 14.822 73.253 -33.659 1.00 54.33 H new ATOM 0 HD12 ILE A 62 14.908 73.671 -35.387 1.00 54.33 H new ATOM 0 HD13 ILE A 62 13.640 72.568 -34.800 1.00 54.33 H new ATOM 912 N LEU A 63 17.038 69.956 -38.865 1.00 64.35 N ATOM 913 CA LEU A 63 16.977 69.516 -40.249 1.00 53.53 C ATOM 914 C LEU A 63 17.602 68.138 -40.400 1.00 34.31 C ATOM 915 O LEU A 63 17.210 67.367 -41.271 1.00 74.53 O ATOM 916 CB LEU A 63 17.684 70.516 -41.175 1.00 24.15 C ATOM 917 CG LEU A 63 16.886 71.777 -41.534 1.00 14.34 C ATOM 918 CD1 LEU A 63 16.695 72.674 -40.321 1.00 52.54 C ATOM 919 CD2 LEU A 63 17.580 72.540 -42.653 1.00 61.01 C ATOM 0 H LEU A 63 17.666 70.744 -38.704 1.00 64.35 H new ATOM 0 HA LEU A 63 15.927 69.461 -40.536 1.00 53.53 H new ATOM 0 HB2 LEU A 63 18.617 70.822 -40.702 1.00 24.15 H new ATOM 0 HB3 LEU A 63 17.949 70.002 -42.099 1.00 24.15 H new ATOM 0 HG LEU A 63 15.900 71.464 -41.878 1.00 14.34 H new ATOM 0 HD11 LEU A 63 16.126 73.558 -40.608 1.00 52.54 H new ATOM 0 HD12 LEU A 63 16.153 72.130 -39.548 1.00 52.54 H new ATOM 0 HD13 LEU A 63 17.669 72.978 -39.936 1.00 52.54 H new ATOM 0 HD21 LEU A 63 17.003 73.432 -42.897 1.00 61.01 H new ATOM 0 HD22 LEU A 63 18.579 72.831 -42.329 1.00 61.01 H new ATOM 0 HD23 LEU A 63 17.655 71.904 -43.535 1.00 61.01 H new ATOM 931 N GLY A 64 18.563 67.831 -39.538 1.00 54.14 N ATOM 932 CA GLY A 64 19.202 66.533 -39.569 1.00 43.53 C ATOM 933 C GLY A 64 18.214 65.423 -39.275 1.00 42.50 C ATOM 934 O GLY A 64 18.154 64.425 -39.994 1.00 45.41 O ATOM 0 H GLY A 64 18.911 68.462 -38.816 1.00 54.14 H new ATOM 0 HA2 GLY A 64 19.653 66.371 -40.548 1.00 43.53 H new ATOM 0 HA3 GLY A 64 20.010 66.506 -38.838 1.00 43.53 H new ATOM 938 N GLY A 65 17.424 65.609 -38.222 1.00 25.24 N ATOM 939 CA GLY A 65 16.400 64.639 -37.879 1.00 5.50 C ATOM 940 C GLY A 65 15.237 64.685 -38.849 1.00 33.53 C ATOM 941 O GLY A 65 14.641 63.655 -39.172 1.00 11.34 O ATOM 0 H GLY A 65 17.475 66.415 -37.599 1.00 25.24 H new ATOM 0 HA2 GLY A 65 16.833 63.639 -37.877 1.00 5.50 H new ATOM 0 HA3 GLY A 65 16.039 64.833 -36.869 1.00 5.50 H new ATOM 945 N LEU A 66 14.923 65.887 -39.325 1.00 53.33 N ATOM 946 CA LEU A 66 13.858 66.079 -40.300 1.00 72.23 C ATOM 947 C LEU A 66 14.171 65.309 -41.580 1.00 34.12 C ATOM 948 O LEU A 66 13.349 64.538 -42.073 1.00 33.03 O ATOM 949 CB LEU A 66 13.682 67.568 -40.609 1.00 31.31 C ATOM 950 CG LEU A 66 12.512 67.912 -41.531 1.00 64.21 C ATOM 951 CD1 LEU A 66 11.190 67.531 -40.884 1.00 22.03 C ATOM 952 CD2 LEU A 66 12.529 69.390 -41.882 1.00 65.03 C ATOM 0 H LEU A 66 15.396 66.747 -39.048 1.00 53.33 H new ATOM 0 HA LEU A 66 12.927 65.698 -39.879 1.00 72.23 H new ATOM 0 HB2 LEU A 66 13.552 68.104 -39.669 1.00 31.31 H new ATOM 0 HB3 LEU A 66 14.601 67.939 -41.062 1.00 31.31 H new ATOM 0 HG LEU A 66 12.619 67.338 -42.451 1.00 64.21 H new ATOM 0 HD11 LEU A 66 10.370 67.784 -41.556 1.00 22.03 H new ATOM 0 HD12 LEU A 66 11.178 66.460 -40.684 1.00 22.03 H new ATOM 0 HD13 LEU A 66 11.073 68.076 -39.947 1.00 22.03 H new ATOM 0 HD21 LEU A 66 11.689 69.618 -42.539 1.00 65.03 H new ATOM 0 HD22 LEU A 66 12.447 69.981 -40.970 1.00 65.03 H new ATOM 0 HD23 LEU A 66 13.463 69.633 -42.389 1.00 65.03 H new ATOM 964 N LEU A 67 15.387 65.485 -42.087 1.00 53.21 N ATOM 965 CA LEU A 67 15.833 64.792 -43.292 1.00 64.45 C ATOM 966 C LEU A 67 16.254 63.359 -42.965 1.00 60.43 C ATOM 967 O LEU A 67 17.158 62.799 -43.593 1.00 44.24 O ATOM 968 CB LEU A 67 16.991 65.555 -43.942 1.00 51.43 C ATOM 969 CG LEU A 67 16.644 66.962 -44.434 1.00 3.00 C ATOM 970 CD1 LEU A 67 17.874 67.648 -45.000 1.00 70.32 C ATOM 971 CD2 LEU A 67 15.544 66.906 -45.483 1.00 22.21 C ATOM 0 H LEU A 67 16.086 66.106 -41.679 1.00 53.21 H new ATOM 0 HA LEU A 67 15.002 64.751 -43.996 1.00 64.45 H new ATOM 0 HB2 LEU A 67 17.807 65.629 -43.223 1.00 51.43 H new ATOM 0 HB3 LEU A 67 17.362 64.973 -44.786 1.00 51.43 H new ATOM 0 HG LEU A 67 16.284 67.541 -43.583 1.00 3.00 H new ATOM 0 HD11 LEU A 67 17.607 68.647 -45.345 1.00 70.32 H new ATOM 0 HD12 LEU A 67 18.637 67.723 -44.226 1.00 70.32 H new ATOM 0 HD13 LEU A 67 18.262 67.067 -45.837 1.00 70.32 H new ATOM 0 HD21 LEU A 67 15.311 67.916 -45.820 1.00 22.21 H new ATOM 0 HD22 LEU A 67 15.880 66.309 -46.331 1.00 22.21 H new ATOM 0 HD23 LEU A 67 14.652 66.453 -45.051 1.00 22.21 H new ATOM 983 N SER A 68 15.588 62.782 -41.976 1.00 40.32 N ATOM 984 CA SER A 68 15.768 61.389 -41.612 1.00 11.31 C ATOM 985 C SER A 68 14.405 60.741 -41.376 1.00 75.02 C ATOM 986 O SER A 68 14.090 59.701 -41.953 1.00 75.11 O ATOM 987 CB SER A 68 16.639 61.268 -40.359 1.00 0.14 C ATOM 988 OG SER A 68 17.932 61.815 -40.574 1.00 4.11 O ATOM 0 H SER A 68 14.903 63.273 -41.401 1.00 40.32 H new ATOM 0 HA SER A 68 16.274 60.873 -42.428 1.00 11.31 H new ATOM 0 HB2 SER A 68 16.158 61.783 -39.528 1.00 0.14 H new ATOM 0 HB3 SER A 68 16.728 60.219 -40.075 1.00 0.14 H new ATOM 0 HG SER A 68 17.993 62.691 -40.139 1.00 4.11 H new ATOM 994 N ASN A 69 13.587 61.387 -40.549 1.00 22.22 N ATOM 995 CA ASN A 69 12.267 60.863 -40.199 1.00 3.21 C ATOM 996 C ASN A 69 11.307 60.918 -41.385 1.00 33.23 C ATOM 997 O ASN A 69 10.383 60.115 -41.483 1.00 41.32 O ATOM 998 CB ASN A 69 11.686 61.655 -39.019 1.00 53.44 C ATOM 999 CG ASN A 69 10.286 61.209 -38.629 1.00 25.14 C ATOM 1000 OD1 ASN A 69 9.290 61.740 -39.125 1.00 41.35 O ATOM 1001 ND2 ASN A 69 10.199 60.240 -37.733 1.00 2.13 N ATOM 0 H ASN A 69 13.815 62.277 -40.107 1.00 22.22 H new ATOM 0 HA ASN A 69 12.387 59.818 -39.915 1.00 3.21 H new ATOM 0 HB2 ASN A 69 12.347 61.549 -38.159 1.00 53.44 H new ATOM 0 HB3 ASN A 69 11.664 62.714 -39.276 1.00 53.44 H new ATOM 0 HD21 ASN A 69 9.284 59.907 -37.429 1.00 2.13 H new ATOM 0 HD22 ASN A 69 11.047 59.826 -37.346 1.00 2.13 H new ATOM 1008 N ILE A 70 11.543 61.849 -42.300 1.00 71.41 N ATOM 1009 CA ILE A 70 10.667 62.015 -43.454 1.00 54.25 C ATOM 1010 C ILE A 70 11.033 61.017 -44.555 1.00 15.54 C ATOM 1011 O ILE A 70 10.221 60.708 -45.430 1.00 23.53 O ATOM 1012 CB ILE A 70 10.738 63.463 -44.005 1.00 3.10 C ATOM 1013 CG1 ILE A 70 10.354 64.470 -42.912 1.00 23.53 C ATOM 1014 CG2 ILE A 70 9.839 63.641 -45.224 1.00 12.32 C ATOM 1015 CD1 ILE A 70 8.954 64.279 -42.369 1.00 42.43 C ATOM 0 H ILE A 70 12.329 62.498 -42.267 1.00 71.41 H new ATOM 0 HA ILE A 70 9.645 61.822 -43.127 1.00 54.25 H new ATOM 0 HB ILE A 70 11.766 63.650 -44.316 1.00 3.10 H new ATOM 0 HG12 ILE A 70 11.066 64.390 -42.091 1.00 23.53 H new ATOM 0 HG13 ILE A 70 10.443 65.479 -43.314 1.00 23.53 H new ATOM 0 HG21 ILE A 70 9.913 64.667 -45.584 1.00 12.32 H new ATOM 0 HG22 ILE A 70 10.154 62.956 -46.011 1.00 12.32 H new ATOM 0 HG23 ILE A 70 8.806 63.427 -44.949 1.00 12.32 H new ATOM 0 HD11 ILE A 70 8.756 65.027 -41.601 1.00 42.43 H new ATOM 0 HD12 ILE A 70 8.232 64.389 -43.178 1.00 42.43 H new ATOM 0 HD13 ILE A 70 8.864 63.283 -41.936 1.00 42.43 H new ATOM 1129 N MET A 78 18.825 45.863 -39.290 1.00 12.00 N ATOM 1130 CA MET A 78 18.401 44.475 -39.178 1.00 2.03 C ATOM 1131 C MET A 78 19.354 43.705 -38.273 1.00 70.13 C ATOM 1132 O MET A 78 20.558 43.645 -38.533 1.00 44.34 O ATOM 1133 CB MET A 78 18.349 43.820 -40.562 1.00 63.14 C ATOM 1134 CG MET A 78 17.912 42.360 -40.539 1.00 52.15 C ATOM 1135 SD MET A 78 17.979 41.583 -42.166 1.00 73.31 S ATOM 1136 CE MET A 78 16.793 42.579 -43.065 1.00 35.54 C ATOM 0 HA MET A 78 17.403 44.452 -38.741 1.00 2.03 H new ATOM 0 HB2 MET A 78 17.664 44.384 -41.194 1.00 63.14 H new ATOM 0 HB3 MET A 78 19.335 43.887 -41.022 1.00 63.14 H new ATOM 0 HG2 MET A 78 18.550 41.806 -39.850 1.00 52.15 H new ATOM 0 HG3 MET A 78 16.895 42.296 -40.153 1.00 52.15 H new ATOM 0 HE1 MET A 78 16.481 42.049 -43.965 1.00 35.54 H new ATOM 0 HE2 MET A 78 15.924 42.767 -42.435 1.00 35.54 H new ATOM 0 HE3 MET A 78 17.251 43.528 -43.343 1.00 35.54 H new ATOM 1146 N VAL A 79 18.819 43.117 -37.215 1.00 63.22 N ATOM 1147 CA VAL A 79 19.640 42.370 -36.277 1.00 53.31 C ATOM 1148 C VAL A 79 20.068 41.030 -36.878 1.00 34.33 C ATOM 1149 O VAL A 79 19.242 40.249 -37.346 1.00 23.05 O ATOM 1150 CB VAL A 79 18.919 42.149 -34.925 1.00 51.15 C ATOM 1151 CG1 VAL A 79 17.618 41.382 -35.104 1.00 62.34 C ATOM 1152 CG2 VAL A 79 19.836 41.435 -33.941 1.00 20.14 C ATOM 0 H VAL A 79 17.826 43.142 -36.985 1.00 63.22 H new ATOM 0 HA VAL A 79 20.530 42.968 -36.081 1.00 53.31 H new ATOM 0 HB VAL A 79 18.668 43.129 -34.518 1.00 51.15 H new ATOM 0 HG11 VAL A 79 17.140 41.246 -34.134 1.00 62.34 H new ATOM 0 HG12 VAL A 79 16.953 41.942 -35.761 1.00 62.34 H new ATOM 0 HG13 VAL A 79 17.828 40.408 -35.545 1.00 62.34 H new ATOM 0 HG21 VAL A 79 19.312 41.288 -32.996 1.00 20.14 H new ATOM 0 HG22 VAL A 79 20.125 40.467 -34.350 1.00 20.14 H new ATOM 0 HG23 VAL A 79 20.728 42.038 -33.771 1.00 20.14 H new ATOM 1162 N THR A 80 21.370 40.795 -36.892 1.00 24.24 N ATOM 1163 CA THR A 80 21.932 39.551 -37.390 1.00 43.31 C ATOM 1164 C THR A 80 23.068 39.122 -36.456 1.00 22.22 C ATOM 1165 O THR A 80 23.679 39.969 -35.806 1.00 20.53 O ATOM 1166 CB THR A 80 22.439 39.714 -38.843 1.00 4.42 C ATOM 1167 OG1 THR A 80 21.427 40.349 -39.641 1.00 23.43 O ATOM 1168 CG2 THR A 80 22.789 38.373 -39.465 1.00 23.11 C ATOM 0 H THR A 80 22.067 41.461 -36.558 1.00 24.24 H new ATOM 0 HA THR A 80 21.161 38.781 -37.405 1.00 43.31 H new ATOM 0 HB THR A 80 23.339 40.327 -38.814 1.00 4.42 H new ATOM 0 HG1 THR A 80 21.752 40.452 -40.560 1.00 23.43 H new ATOM 0 HG21 THR A 80 23.141 38.526 -40.485 1.00 23.11 H new ATOM 0 HG22 THR A 80 23.573 37.893 -38.879 1.00 23.11 H new ATOM 0 HG23 THR A 80 21.905 37.736 -39.478 1.00 23.11 H new ATOM 1176 N ASN A 81 23.335 37.820 -36.374 1.00 12.13 N ATOM 1177 CA ASN A 81 24.253 37.280 -35.368 1.00 13.33 C ATOM 1178 C ASN A 81 25.692 37.753 -35.570 1.00 53.52 C ATOM 1179 O ASN A 81 26.269 38.396 -34.693 1.00 72.31 O ATOM 1180 CB ASN A 81 24.203 35.745 -35.376 1.00 31.34 C ATOM 1181 CG ASN A 81 25.086 35.115 -34.313 1.00 23.22 C ATOM 1182 OD1 ASN A 81 25.251 35.798 -33.190 1.00 55.05 O flip ATOM 1183 ND2 ASN A 81 25.604 34.012 -34.497 1.00 51.02 N flip ATOM 0 H ASN A 81 22.929 37.117 -36.992 1.00 12.13 H new ATOM 0 HA ASN A 81 23.921 37.657 -34.401 1.00 13.33 H new ATOM 0 HB2 ASN A 81 23.174 35.420 -35.224 1.00 31.34 H new ATOM 0 HB3 ASN A 81 24.510 35.382 -36.357 1.00 31.34 H new ATOM 0 HD21 ASN A 81 25.453 33.518 -35.376 1.00 51.02 H new ATOM 0 HD22 ASN A 81 26.184 33.593 -33.770 1.00 51.02 H new ATOM 1190 N ASP A 82 26.265 37.441 -36.718 1.00 32.11 N ATOM 1191 CA ASP A 82 27.688 37.673 -36.939 1.00 24.13 C ATOM 1192 C ASP A 82 27.925 38.930 -37.770 1.00 61.51 C ATOM 1193 O ASP A 82 29.059 39.281 -38.094 1.00 75.51 O ATOM 1194 CB ASP A 82 28.301 36.448 -37.618 1.00 23.52 C ATOM 1195 CG ASP A 82 29.815 36.486 -37.662 1.00 72.21 C ATOM 1196 OD1 ASP A 82 30.440 36.869 -36.652 1.00 63.25 O ATOM 1197 OD2 ASP A 82 30.386 36.071 -38.692 1.00 30.43 O1- ATOM 0 H ASP A 82 25.773 37.028 -37.511 1.00 32.11 H new ATOM 0 HA ASP A 82 28.171 37.830 -35.974 1.00 24.13 H new ATOM 0 HB2 ASP A 82 27.982 35.550 -37.090 1.00 23.52 H new ATOM 0 HB3 ASP A 82 27.916 36.373 -38.635 1.00 23.52 H new ATOM 1202 N TYR A 83 26.847 39.615 -38.100 1.00 2.10 N ATOM 1203 CA TYR A 83 26.926 40.854 -38.855 1.00 61.22 C ATOM 1204 C TYR A 83 25.827 41.808 -38.411 1.00 25.13 C ATOM 1205 O TYR A 83 24.647 41.513 -38.567 1.00 35.42 O ATOM 1206 CB TYR A 83 26.789 40.592 -40.364 1.00 22.35 C ATOM 1207 CG TYR A 83 28.027 40.027 -41.026 1.00 63.34 C ATOM 1208 CD1 TYR A 83 28.973 40.872 -41.588 1.00 54.31 C ATOM 1209 CD2 TYR A 83 28.250 38.657 -41.096 1.00 61.31 C ATOM 1210 CE1 TYR A 83 30.101 40.372 -42.206 1.00 54.50 C ATOM 1211 CE2 TYR A 83 29.376 38.149 -41.709 1.00 43.02 C ATOM 1212 CZ TYR A 83 30.300 39.011 -42.260 1.00 0.23 C ATOM 1213 OH TYR A 83 31.426 38.508 -42.873 1.00 35.22 O ATOM 0 H TYR A 83 25.898 39.333 -37.855 1.00 2.10 H new ATOM 0 HA TYR A 83 27.902 41.300 -38.663 1.00 61.22 H new ATOM 0 HB2 TYR A 83 25.961 39.901 -40.525 1.00 22.35 H new ATOM 0 HB3 TYR A 83 26.525 41.527 -40.858 1.00 22.35 H new ATOM 0 HD1 TYR A 83 28.824 41.941 -41.541 1.00 54.31 H new ATOM 0 HD2 TYR A 83 27.529 37.979 -40.663 1.00 61.31 H new ATOM 0 HE1 TYR A 83 30.823 41.044 -42.645 1.00 54.50 H new ATOM 0 HE2 TYR A 83 29.533 37.082 -41.757 1.00 43.02 H new ATOM 0 HH TYR A 83 31.416 37.529 -42.824 1.00 35.22 H new ATOM 1223 N ILE A 84 26.205 42.946 -37.848 1.00 71.04 N ATOM 1224 CA ILE A 84 25.223 43.952 -37.479 1.00 33.43 C ATOM 1225 C ILE A 84 24.918 44.815 -38.696 1.00 24.33 C ATOM 1226 O ILE A 84 25.723 45.656 -39.097 1.00 13.30 O ATOM 1227 CB ILE A 84 25.676 44.844 -36.295 1.00 35.11 C ATOM 1228 CG1 ILE A 84 25.912 44.014 -35.025 1.00 70.51 C ATOM 1229 CG2 ILE A 84 24.643 45.928 -36.022 1.00 63.41 C ATOM 1230 CD1 ILE A 84 27.215 43.238 -35.019 1.00 21.15 C ATOM 0 H ILE A 84 27.172 43.193 -37.639 1.00 71.04 H new ATOM 0 HA ILE A 84 24.329 43.428 -37.142 1.00 33.43 H new ATOM 0 HB ILE A 84 26.620 45.311 -36.575 1.00 35.11 H new ATOM 0 HG12 ILE A 84 25.895 44.680 -34.162 1.00 70.51 H new ATOM 0 HG13 ILE A 84 25.085 43.314 -34.904 1.00 70.51 H new ATOM 0 HG21 ILE A 84 24.976 46.546 -35.188 1.00 63.41 H new ATOM 0 HG22 ILE A 84 24.525 46.550 -36.910 1.00 63.41 H new ATOM 0 HG23 ILE A 84 23.688 45.466 -35.773 1.00 63.41 H new ATOM 0 HD11 ILE A 84 27.302 42.680 -34.087 1.00 21.15 H new ATOM 0 HD12 ILE A 84 27.229 42.544 -35.860 1.00 21.15 H new ATOM 0 HD13 ILE A 84 28.052 43.931 -35.106 1.00 21.15 H new ATOM 1242 N VAL A 85 23.765 44.574 -39.296 1.00 45.21 N ATOM 1243 CA VAL A 85 23.390 45.233 -40.538 1.00 41.00 C ATOM 1244 C VAL A 85 22.544 46.471 -40.271 1.00 52.13 C ATOM 1245 O VAL A 85 21.410 46.371 -39.802 1.00 43.50 O ATOM 1246 CB VAL A 85 22.610 44.263 -41.451 1.00 62.43 C ATOM 1247 CG1 VAL A 85 22.197 44.941 -42.745 1.00 1.04 C ATOM 1248 CG2 VAL A 85 23.437 43.017 -41.741 1.00 64.33 C ATOM 0 H VAL A 85 23.066 43.921 -38.940 1.00 45.21 H new ATOM 0 HA VAL A 85 24.308 45.540 -41.038 1.00 41.00 H new ATOM 0 HB VAL A 85 21.704 43.963 -40.924 1.00 62.43 H new ATOM 0 HG11 VAL A 85 21.650 44.234 -43.368 1.00 1.04 H new ATOM 0 HG12 VAL A 85 21.559 45.796 -42.520 1.00 1.04 H new ATOM 0 HG13 VAL A 85 23.085 45.281 -43.277 1.00 1.04 H new ATOM 0 HG21 VAL A 85 22.870 42.346 -42.386 1.00 64.33 H new ATOM 0 HG22 VAL A 85 24.363 43.303 -42.240 1.00 64.33 H new ATOM 0 HG23 VAL A 85 23.671 42.509 -40.805 1.00 64.33 H new ATOM 1258 N ASP A 86 23.101 47.636 -40.554 1.00 31.13 N ATOM 1259 CA ASP A 86 22.356 48.880 -40.427 1.00 20.21 C ATOM 1260 C ASP A 86 22.091 49.483 -41.798 1.00 24.31 C ATOM 1261 O ASP A 86 22.976 50.087 -42.408 1.00 74.51 O ATOM 1262 CB ASP A 86 23.107 49.882 -39.546 1.00 4.42 C ATOM 1263 CG ASP A 86 22.372 51.207 -39.411 1.00 33.31 C ATOM 1264 OD1 ASP A 86 21.177 51.200 -39.042 1.00 21.44 O ATOM 1265 OD2 ASP A 86 22.995 52.266 -39.644 1.00 45.22 O1- ATOM 0 H ASP A 86 24.064 47.748 -40.872 1.00 31.13 H new ATOM 0 HA ASP A 86 21.402 48.654 -39.951 1.00 20.21 H new ATOM 0 HB2 ASP A 86 23.255 49.450 -38.556 1.00 4.42 H new ATOM 0 HB3 ASP A 86 24.096 50.061 -39.967 1.00 4.42 H new ATOM 1270 N ILE A 87 20.878 49.285 -42.296 1.00 70.13 N ATOM 1271 CA ILE A 87 20.470 49.879 -43.556 1.00 11.31 C ATOM 1272 C ILE A 87 19.862 51.251 -43.296 1.00 5.45 C ATOM 1273 O ILE A 87 18.690 51.369 -42.934 1.00 31.44 O ATOM 1274 CB ILE A 87 19.452 48.992 -44.311 1.00 73.15 C ATOM 1275 CG1 ILE A 87 20.008 47.576 -44.492 1.00 41.53 C ATOM 1276 CG2 ILE A 87 19.111 49.611 -45.662 1.00 33.35 C ATOM 1277 CD1 ILE A 87 19.033 46.619 -45.141 1.00 31.30 C ATOM 0 H ILE A 87 20.161 48.717 -41.844 1.00 70.13 H new ATOM 0 HA ILE A 87 21.356 49.972 -44.184 1.00 11.31 H new ATOM 0 HB ILE A 87 18.539 48.929 -43.720 1.00 73.15 H new ATOM 0 HG12 ILE A 87 20.913 47.625 -45.098 1.00 41.53 H new ATOM 0 HG13 ILE A 87 20.297 47.181 -43.518 1.00 41.53 H new ATOM 0 HG21 ILE A 87 18.394 48.976 -46.182 1.00 33.35 H new ATOM 0 HG22 ILE A 87 18.678 50.600 -45.510 1.00 33.35 H new ATOM 0 HG23 ILE A 87 20.018 49.700 -46.261 1.00 33.35 H new ATOM 0 HD11 ILE A 87 19.496 45.637 -45.236 1.00 31.30 H new ATOM 0 HD12 ILE A 87 18.137 46.539 -44.526 1.00 31.30 H new ATOM 0 HD13 ILE A 87 18.762 46.990 -46.130 1.00 31.30 H new ATOM 1289 N ALA A 88 20.669 52.282 -43.455 1.00 34.53 N ATOM 1290 CA ALA A 88 20.249 53.628 -43.124 1.00 21.21 C ATOM 1291 C ALA A 88 19.939 54.440 -44.371 1.00 23.43 C ATOM 1292 O ALA A 88 20.733 54.478 -45.312 1.00 54.14 O ATOM 1293 CB ALA A 88 21.331 54.315 -42.310 1.00 40.44 C ATOM 0 H ALA A 88 21.622 52.212 -43.812 1.00 34.53 H new ATOM 0 HA ALA A 88 19.333 53.562 -42.536 1.00 21.21 H new ATOM 0 HB1 ALA A 88 21.012 55.328 -42.062 1.00 40.44 H new ATOM 0 HB2 ALA A 88 21.506 53.755 -41.391 1.00 40.44 H new ATOM 0 HB3 ALA A 88 22.252 54.356 -42.891 1.00 40.44 H new ATOM 1299 N ASN A 89 18.781 55.076 -44.383 1.00 52.24 N ATOM 1300 CA ASN A 89 18.463 56.029 -45.430 1.00 21.13 C ATOM 1301 C ASN A 89 18.488 57.433 -44.856 1.00 22.12 C ATOM 1302 O ASN A 89 17.478 57.943 -44.371 1.00 62.21 O ATOM 1303 CB ASN A 89 17.103 55.742 -46.076 1.00 44.43 C ATOM 1304 CG ASN A 89 16.809 56.679 -47.240 1.00 51.24 C ATOM 1305 OD1 ASN A 89 17.232 56.297 -48.436 1.00 34.21 O flip ATOM 1306 ND2 ASN A 89 16.213 57.740 -47.073 1.00 52.10 N flip ATOM 0 H ASN A 89 18.049 54.951 -43.684 1.00 52.24 H new ATOM 0 HA ASN A 89 19.215 55.935 -46.213 1.00 21.13 H new ATOM 0 HB2 ASN A 89 17.080 54.711 -46.428 1.00 44.43 H new ATOM 0 HB3 ASN A 89 16.318 55.840 -45.326 1.00 44.43 H new ATOM 0 HD21 ASN A 89 15.899 58.007 -46.140 1.00 52.10 H new ATOM 0 HD22 ASN A 89 16.032 58.354 -47.867 1.00 52.10 H new ATOM 1313 N ARG A 90 19.665 58.028 -44.861 1.00 34.23 N ATOM 1314 CA ARG A 90 19.831 59.387 -44.388 1.00 61.53 C ATOM 1315 C ARG A 90 20.046 60.293 -45.589 1.00 14.51 C ATOM 1316 O ARG A 90 20.644 59.859 -46.580 1.00 31.12 O ATOM 1317 CB ARG A 90 21.020 59.484 -43.428 1.00 1.00 C ATOM 1318 CG ARG A 90 21.021 60.753 -42.594 1.00 75.44 C ATOM 1319 CD ARG A 90 22.316 60.911 -41.813 1.00 14.21 C ATOM 1320 NE ARG A 90 23.461 61.117 -42.697 1.00 45.22 N ATOM 1321 CZ ARG A 90 24.394 62.048 -42.508 1.00 45.51 C ATOM 1322 NH1 ARG A 90 24.349 62.834 -41.434 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 25.371 62.183 -43.392 1.00 21.12 N ATOM 0 H ARG A 90 20.525 57.588 -45.190 1.00 34.23 H new ATOM 0 HA ARG A 90 18.939 59.697 -43.844 1.00 61.53 H new ATOM 0 HB2 ARG A 90 21.011 58.621 -42.762 1.00 1.00 H new ATOM 0 HB3 ARG A 90 21.945 59.435 -44.002 1.00 1.00 H new ATOM 0 HG2 ARG A 90 20.881 61.616 -43.245 1.00 75.44 H new ATOM 0 HG3 ARG A 90 20.179 60.735 -41.902 1.00 75.44 H new ATOM 0 HD2 ARG A 90 22.228 61.756 -41.130 1.00 14.21 H new ATOM 0 HD3 ARG A 90 22.483 60.023 -41.203 1.00 14.21 H new ATOM 0 HE ARG A 90 23.551 60.509 -43.511 1.00 45.22 H new ATOM 0 HH11 ARG A 90 23.598 62.724 -40.753 1.00 34.45 H new ATOM 0 HH12 ARG A 90 25.066 63.546 -41.293 1.00 34.45 H new ATOM 0 HH21 ARG A 90 25.405 61.576 -44.211 1.00 21.12 H new ATOM 0 HH22 ARG A 90 26.089 62.894 -43.254 1.00 21.12 H new ATOM 1337 N ASP A 91 19.548 61.529 -45.506 1.00 14.33 N ATOM 1338 CA ASP A 91 19.624 62.489 -46.615 1.00 71.02 C ATOM 1339 C ASP A 91 18.720 62.050 -47.767 1.00 43.52 C ATOM 1340 O ASP A 91 17.679 62.658 -48.017 1.00 61.51 O ATOM 1341 CB ASP A 91 21.075 62.668 -47.092 1.00 34.34 C ATOM 1342 CG ASP A 91 21.188 63.542 -48.322 1.00 2.00 C ATOM 1343 OD1 ASP A 91 20.866 64.745 -48.236 1.00 21.24 O ATOM 1344 OD2 ASP A 91 21.624 63.035 -49.375 1.00 32.31 O1- ATOM 0 H ASP A 91 19.083 61.893 -44.674 1.00 14.33 H new ATOM 0 HA ASP A 91 19.272 63.455 -46.253 1.00 71.02 H new ATOM 0 HB2 ASP A 91 21.665 63.105 -46.287 1.00 34.34 H new ATOM 0 HB3 ASP A 91 21.504 61.690 -47.307 1.00 34.34 H new ATOM 1349 N GLY A 92 19.108 60.984 -48.446 1.00 75.32 N ATOM 1350 CA GLY A 92 18.290 60.438 -49.508 1.00 62.34 C ATOM 1351 C GLY A 92 18.929 59.233 -50.165 1.00 52.21 C ATOM 1352 O GLY A 92 18.592 58.881 -51.294 1.00 23.30 O ATOM 0 H GLY A 92 19.981 60.483 -48.280 1.00 75.32 H new ATOM 0 HA2 GLY A 92 17.317 60.156 -49.106 1.00 62.34 H new ATOM 0 HA3 GLY A 92 18.113 61.208 -50.259 1.00 62.34 H new ATOM 1356 N GLN A 93 19.841 58.581 -49.453 1.00 55.42 N ATOM 1357 CA GLN A 93 20.582 57.462 -50.022 1.00 43.03 C ATOM 1358 C GLN A 93 20.462 56.232 -49.131 1.00 53.23 C ATOM 1359 O GLN A 93 20.464 56.343 -47.906 1.00 62.41 O ATOM 1360 CB GLN A 93 22.069 57.820 -50.188 1.00 32.14 C ATOM 1361 CG GLN A 93 22.335 59.159 -50.875 1.00 62.32 C ATOM 1362 CD GLN A 93 22.318 59.104 -52.398 1.00 5.43 C ATOM 1363 OE1 GLN A 93 21.503 58.238 -52.973 1.00 25.23 O flip ATOM 1364 NE2 GLN A 93 23.037 59.856 -53.058 1.00 33.20 N flip ATOM 0 H GLN A 93 20.084 58.806 -48.488 1.00 55.42 H new ATOM 0 HA GLN A 93 20.154 57.244 -51.000 1.00 43.03 H new ATOM 0 HB2 GLN A 93 22.537 57.834 -49.203 1.00 32.14 H new ATOM 0 HB3 GLN A 93 22.556 57.031 -50.761 1.00 32.14 H new ATOM 0 HG2 GLN A 93 21.587 59.878 -50.542 1.00 62.32 H new ATOM 0 HG3 GLN A 93 23.305 59.534 -50.549 1.00 62.32 H new ATOM 0 HE21 GLN A 93 23.656 60.514 -52.585 1.00 33.20 H new ATOM 0 HE22 GLN A 93 23.013 59.820 -54.077 1.00 33.20 H new ATOM 1373 N LEU A 94 20.346 55.063 -49.753 1.00 22.14 N ATOM 1374 CA LEU A 94 20.356 53.802 -49.022 1.00 50.31 C ATOM 1375 C LEU A 94 21.794 53.409 -48.723 1.00 43.43 C ATOM 1376 O LEU A 94 22.555 53.080 -49.631 1.00 52.24 O ATOM 1377 CB LEU A 94 19.669 52.678 -49.816 1.00 41.23 C ATOM 1378 CG LEU A 94 18.137 52.735 -49.891 1.00 41.02 C ATOM 1379 CD1 LEU A 94 17.536 52.813 -48.495 1.00 1.43 C ATOM 1380 CD2 LEU A 94 17.669 53.899 -50.755 1.00 42.11 C ATOM 0 H LEU A 94 20.244 54.963 -50.763 1.00 22.14 H new ATOM 0 HA LEU A 94 19.800 53.942 -48.095 1.00 50.31 H new ATOM 0 HB2 LEU A 94 20.062 52.688 -50.833 1.00 41.23 H new ATOM 0 HB3 LEU A 94 19.954 51.723 -49.374 1.00 41.23 H new ATOM 0 HG LEU A 94 17.788 51.816 -50.362 1.00 41.02 H new ATOM 0 HD11 LEU A 94 16.449 52.853 -48.568 1.00 1.43 H new ATOM 0 HD12 LEU A 94 17.829 51.933 -47.923 1.00 1.43 H new ATOM 0 HD13 LEU A 94 17.899 53.710 -47.992 1.00 1.43 H new ATOM 0 HD21 LEU A 94 16.580 53.912 -50.788 1.00 42.11 H new ATOM 0 HD22 LEU A 94 18.031 54.836 -50.331 1.00 42.11 H new ATOM 0 HD23 LEU A 94 18.062 53.783 -51.765 1.00 42.11 H new ATOM 1392 N GLN A 95 22.171 53.480 -47.464 1.00 22.34 N ATOM 1393 CA GLN A 95 23.531 53.179 -47.067 1.00 52.10 C ATOM 1394 C GLN A 95 23.574 51.926 -46.206 1.00 55.53 C ATOM 1395 O GLN A 95 23.081 51.912 -45.077 1.00 20.22 O ATOM 1396 CB GLN A 95 24.126 54.377 -46.333 1.00 54.30 C ATOM 1397 CG GLN A 95 25.569 54.186 -45.894 1.00 4.25 C ATOM 1398 CD GLN A 95 26.278 55.500 -45.608 1.00 5.40 C ATOM 1399 OE1 GLN A 95 27.122 55.579 -44.716 1.00 14.41 O ATOM 1400 NE2 GLN A 95 25.978 56.530 -46.391 1.00 5.31 N ATOM 0 H GLN A 95 21.554 53.744 -46.696 1.00 22.34 H new ATOM 0 HA GLN A 95 24.130 52.984 -47.957 1.00 52.10 H new ATOM 0 HB2 GLN A 95 24.068 55.251 -46.981 1.00 54.30 H new ATOM 0 HB3 GLN A 95 23.516 54.590 -45.455 1.00 54.30 H new ATOM 0 HG2 GLN A 95 25.592 53.564 -44.999 1.00 4.25 H new ATOM 0 HG3 GLN A 95 26.112 53.647 -46.671 1.00 4.25 H new ATOM 0 HE21 GLN A 95 25.273 56.428 -47.121 1.00 5.31 H new ATOM 0 HE22 GLN A 95 26.453 57.423 -46.263 1.00 5.31 H new ATOM 1409 N LEU A 96 24.139 50.867 -46.766 1.00 75.11 N ATOM 1410 CA LEU A 96 24.272 49.605 -46.062 1.00 53.33 C ATOM 1411 C LEU A 96 25.542 49.603 -45.221 1.00 12.32 C ATOM 1412 O LEU A 96 26.637 49.358 -45.729 1.00 51.50 O ATOM 1413 CB LEU A 96 24.298 48.439 -47.060 1.00 11.23 C ATOM 1414 CG LEU A 96 24.489 47.048 -46.452 1.00 54.15 C ATOM 1415 CD1 LEU A 96 23.291 46.670 -45.601 1.00 12.31 C ATOM 1416 CD2 LEU A 96 24.714 46.017 -47.548 1.00 11.35 C ATOM 0 H LEU A 96 24.515 50.860 -47.714 1.00 75.11 H new ATOM 0 HA LEU A 96 23.413 49.482 -45.402 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.364 48.445 -47.621 1.00 11.23 H new ATOM 0 HB3 LEU A 96 25.101 48.616 -47.776 1.00 11.23 H new ATOM 0 HG LEU A 96 25.371 47.068 -45.811 1.00 54.15 H new ATOM 0 HD11 LEU A 96 23.445 45.678 -45.177 1.00 12.31 H new ATOM 0 HD12 LEU A 96 23.174 47.395 -44.795 1.00 12.31 H new ATOM 0 HD13 LEU A 96 22.393 46.666 -46.219 1.00 12.31 H new ATOM 0 HD21 LEU A 96 24.848 45.033 -47.100 1.00 11.35 H new ATOM 0 HD22 LEU A 96 23.850 45.998 -48.213 1.00 11.35 H new ATOM 0 HD23 LEU A 96 25.605 46.280 -48.118 1.00 11.35 H new ATOM 1428 N ASN A 97 25.394 49.912 -43.945 1.00 24.34 N ATOM 1429 CA ASN A 97 26.516 49.898 -43.021 1.00 24.31 C ATOM 1430 C ASN A 97 26.572 48.570 -42.288 1.00 43.41 C ATOM 1431 O ASN A 97 25.808 48.327 -41.351 1.00 33.42 O ATOM 1432 CB ASN A 97 26.418 51.063 -42.030 1.00 32.34 C ATOM 1433 CG ASN A 97 27.202 52.279 -42.486 1.00 4.11 C ATOM 1434 OD1 ASN A 97 28.239 52.149 -43.128 1.00 11.22 O ATOM 1435 ND2 ASN A 97 26.710 53.468 -42.171 1.00 2.51 N ATOM 0 H ASN A 97 24.504 50.177 -43.523 1.00 24.34 H new ATOM 0 HA ASN A 97 27.437 50.019 -43.591 1.00 24.31 H new ATOM 0 HB2 ASN A 97 25.371 51.337 -41.899 1.00 32.34 H new ATOM 0 HB3 ASN A 97 26.787 50.740 -41.057 1.00 32.34 H new ATOM 0 HD21 ASN A 97 27.197 54.315 -42.464 1.00 2.51 H new ATOM 0 HD22 ASN A 97 25.845 53.536 -41.636 1.00 2.51 H new ATOM 1442 N VAL A 98 27.453 47.698 -42.744 1.00 45.14 N ATOM 1443 CA VAL A 98 27.607 46.389 -42.144 1.00 72.02 C ATOM 1444 C VAL A 98 28.725 46.406 -41.121 1.00 15.31 C ATOM 1445 O VAL A 98 29.897 46.567 -41.464 1.00 42.35 O ATOM 1446 CB VAL A 98 27.888 45.301 -43.205 1.00 44.14 C ATOM 1447 CG1 VAL A 98 28.319 43.997 -42.552 1.00 50.42 C ATOM 1448 CG2 VAL A 98 26.654 45.069 -44.046 1.00 24.02 C ATOM 0 H VAL A 98 28.075 47.876 -43.532 1.00 45.14 H new ATOM 0 HA VAL A 98 26.666 46.145 -41.651 1.00 72.02 H new ATOM 0 HB VAL A 98 28.701 45.650 -43.841 1.00 44.14 H new ATOM 0 HG11 VAL A 98 28.510 43.250 -43.322 1.00 50.42 H new ATOM 0 HG12 VAL A 98 29.228 44.163 -41.974 1.00 50.42 H new ATOM 0 HG13 VAL A 98 27.528 43.642 -41.891 1.00 50.42 H new ATOM 0 HG21 VAL A 98 26.861 44.301 -44.791 1.00 24.02 H new ATOM 0 HG22 VAL A 98 25.834 44.743 -43.406 1.00 24.02 H new ATOM 0 HG23 VAL A 98 26.376 45.996 -44.548 1.00 24.02 H new ATOM 1458 N THR A 99 28.356 46.265 -39.863 1.00 13.53 N ATOM 1459 CA THR A 99 29.327 46.177 -38.797 1.00 63.52 C ATOM 1460 C THR A 99 29.708 44.718 -38.569 1.00 34.14 C ATOM 1461 O THR A 99 28.932 43.945 -38.000 1.00 52.04 O ATOM 1462 CB THR A 99 28.769 46.779 -37.496 1.00 15.12 C ATOM 1463 OG1 THR A 99 28.231 48.085 -37.752 1.00 32.14 O ATOM 1464 CG2 THR A 99 29.853 46.871 -36.426 1.00 64.32 C ATOM 0 H THR A 99 27.385 46.209 -39.556 1.00 13.53 H new ATOM 0 HA THR A 99 30.211 46.745 -39.087 1.00 63.52 H new ATOM 0 HB THR A 99 27.978 46.124 -37.130 1.00 15.12 H new ATOM 0 HG1 THR A 99 27.876 48.461 -36.920 1.00 32.14 H new ATOM 0 HG21 THR A 99 29.431 47.300 -35.517 1.00 64.32 H new ATOM 0 HG22 THR A 99 30.239 45.874 -36.212 1.00 64.32 H new ATOM 0 HG23 THR A 99 30.664 47.505 -36.784 1.00 64.32 H new ATOM 1472 N ASP A 100 30.884 44.339 -39.054 1.00 61.11 N ATOM 1473 CA ASP A 100 31.386 42.977 -38.889 1.00 23.41 C ATOM 1474 C ASP A 100 31.494 42.613 -37.409 1.00 63.40 C ATOM 1475 O ASP A 100 31.751 43.477 -36.566 1.00 62.23 O ATOM 1476 CB ASP A 100 32.745 42.837 -39.572 1.00 14.41 C ATOM 1477 CG ASP A 100 33.466 41.564 -39.197 1.00 53.52 C ATOM 1478 OD1 ASP A 100 34.538 41.661 -38.578 1.00 4.12 O ATOM 1479 OD2 ASP A 100 32.959 40.467 -39.497 1.00 11.31 O1- ATOM 0 H ASP A 100 31.512 44.958 -39.567 1.00 61.11 H new ATOM 0 HA ASP A 100 30.681 42.289 -39.356 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.607 42.865 -40.653 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.368 43.692 -39.308 1.00 14.41 H new ATOM 1484 N ARG A 101 31.283 41.346 -37.093 1.00 1.22 N ATOM 1485 CA ARG A 101 31.302 40.906 -35.709 1.00 70.42 C ATOM 1486 C ARG A 101 32.480 39.967 -35.440 1.00 41.44 C ATOM 1487 O ARG A 101 32.765 39.624 -34.292 1.00 3.54 O ATOM 1488 CB ARG A 101 29.975 40.228 -35.356 1.00 70.04 C ATOM 1489 CG ARG A 101 29.797 39.972 -33.872 1.00 12.41 C ATOM 1490 CD ARG A 101 29.854 41.270 -33.087 1.00 13.24 C ATOM 1491 NE ARG A 101 30.037 41.051 -31.656 1.00 14.53 N ATOM 1492 CZ ARG A 101 30.377 42.013 -30.797 1.00 32.32 C ATOM 1493 NH1 ARG A 101 30.570 43.253 -31.231 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 30.537 41.735 -29.509 1.00 52.25 N ATOM 0 H ARG A 101 31.098 40.608 -37.772 1.00 1.22 H new ATOM 0 HA ARG A 101 31.430 41.782 -35.073 1.00 70.42 H new ATOM 0 HB2 ARG A 101 29.153 40.851 -35.709 1.00 70.04 H new ATOM 0 HB3 ARG A 101 29.908 39.280 -35.890 1.00 70.04 H new ATOM 0 HG2 ARG A 101 28.841 39.478 -33.696 1.00 12.41 H new ATOM 0 HG3 ARG A 101 30.575 39.295 -33.520 1.00 12.41 H new ATOM 0 HD2 ARG A 101 30.672 41.883 -33.465 1.00 13.24 H new ATOM 0 HD3 ARG A 101 28.933 41.830 -33.251 1.00 13.24 H new ATOM 0 HE ARG A 101 29.897 40.109 -31.292 1.00 14.53 H new ATOM 0 HH11 ARG A 101 30.458 43.470 -32.221 1.00 20.33 H new ATOM 0 HH12 ARG A 101 30.830 43.989 -30.574 1.00 20.33 H new ATOM 0 HH21 ARG A 101 30.400 40.782 -29.172 1.00 52.25 H new ATOM 0 HH22 ARG A 101 30.797 42.474 -28.856 1.00 52.25 H new ATOM 1508 N LYS A 102 33.170 39.554 -36.495 1.00 25.22 N ATOM 1509 CA LYS A 102 34.337 38.693 -36.342 1.00 51.24 C ATOM 1510 C LYS A 102 35.555 39.503 -35.918 1.00 24.03 C ATOM 1511 O LYS A 102 36.242 39.159 -34.955 1.00 61.52 O ATOM 1512 CB LYS A 102 34.625 37.934 -37.639 1.00 63.24 C ATOM 1513 CG LYS A 102 33.811 36.659 -37.783 1.00 64.00 C ATOM 1514 CD LYS A 102 34.292 35.595 -36.810 1.00 42.35 C ATOM 1515 CE LYS A 102 33.326 34.427 -36.723 1.00 32.33 C ATOM 1516 NZ LYS A 102 32.038 34.822 -36.097 1.00 73.14 N1+ ATOM 0 H LYS A 102 32.945 39.799 -37.459 1.00 25.22 H new ATOM 0 HA LYS A 102 34.119 37.966 -35.560 1.00 51.24 H new ATOM 0 HB2 LYS A 102 34.418 38.587 -38.487 1.00 63.24 H new ATOM 0 HB3 LYS A 102 35.686 37.686 -37.679 1.00 63.24 H new ATOM 0 HG2 LYS A 102 32.758 36.873 -37.602 1.00 64.00 H new ATOM 0 HG3 LYS A 102 33.890 36.286 -38.804 1.00 64.00 H new ATOM 0 HD2 LYS A 102 35.271 35.233 -37.123 1.00 42.35 H new ATOM 0 HD3 LYS A 102 34.417 36.037 -35.822 1.00 42.35 H new ATOM 0 HE2 LYS A 102 33.139 34.035 -37.723 1.00 32.33 H new ATOM 0 HE3 LYS A 102 33.780 33.622 -36.144 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 31.270 34.236 -36.483 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 32.095 34.684 -35.068 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 31.845 35.823 -36.302 1.00 73.14 H new ATOM 1530 N THR A 103 35.804 40.583 -36.636 1.00 32.11 N ATOM 1531 CA THR A 103 36.890 41.490 -36.316 1.00 65.25 C ATOM 1532 C THR A 103 36.330 42.836 -35.874 1.00 51.12 C ATOM 1533 O THR A 103 36.870 43.495 -34.984 1.00 72.12 O ATOM 1534 CB THR A 103 37.834 41.685 -37.522 1.00 3.51 C ATOM 1535 OG1 THR A 103 37.091 42.069 -38.692 1.00 71.14 O ATOM 1536 CG2 THR A 103 38.611 40.408 -37.809 1.00 15.44 C ATOM 0 H THR A 103 35.261 40.855 -37.455 1.00 32.11 H new ATOM 0 HA THR A 103 37.467 41.050 -35.503 1.00 65.25 H new ATOM 0 HB THR A 103 38.537 42.479 -37.271 1.00 3.51 H new ATOM 0 HG1 THR A 103 36.137 42.119 -38.472 1.00 71.14 H new ATOM 0 HG21 THR A 103 39.270 40.567 -38.662 1.00 15.44 H new ATOM 0 HG22 THR A 103 39.206 40.140 -36.936 1.00 15.44 H new ATOM 0 HG23 THR A 103 37.914 39.601 -38.035 1.00 15.44 H new ATOM 1544 N GLY A 104 35.225 43.226 -36.496 1.00 65.24 N ATOM 1545 CA GLY A 104 34.562 44.462 -36.149 1.00 42.41 C ATOM 1546 C GLY A 104 35.044 45.621 -36.982 1.00 24.42 C ATOM 1547 O GLY A 104 35.891 46.407 -36.554 1.00 13.23 O ATOM 0 H GLY A 104 34.774 42.699 -37.243 1.00 65.24 H new ATOM 0 HA2 GLY A 104 33.486 44.345 -36.281 1.00 42.41 H new ATOM 0 HA3 GLY A 104 34.732 44.680 -35.095 1.00 42.41 H new ATOM 1551 N GLN A 105 34.502 45.716 -38.180 1.00 51.35 N ATOM 1552 CA GLN A 105 34.837 46.773 -39.111 1.00 72.04 C ATOM 1553 C GLN A 105 33.565 47.280 -39.773 1.00 12.40 C ATOM 1554 O GLN A 105 32.670 46.491 -40.082 1.00 64.30 O ATOM 1555 CB GLN A 105 35.818 46.264 -40.173 1.00 71.44 C ATOM 1556 CG GLN A 105 37.198 45.928 -39.624 1.00 11.23 C ATOM 1557 CD GLN A 105 38.098 45.283 -40.658 1.00 44.43 C ATOM 1558 OE1 GLN A 105 38.805 45.963 -41.402 1.00 42.45 O ATOM 1559 NE2 GLN A 105 38.099 43.960 -40.698 1.00 23.32 N ATOM 0 H GLN A 105 33.811 45.056 -38.537 1.00 51.35 H new ATOM 0 HA GLN A 105 35.315 47.588 -38.568 1.00 72.04 H new ATOM 0 HB2 GLN A 105 35.399 45.376 -40.645 1.00 71.44 H new ATOM 0 HB3 GLN A 105 35.921 47.020 -40.951 1.00 71.44 H new ATOM 0 HG2 GLN A 105 37.670 46.839 -39.256 1.00 11.23 H new ATOM 0 HG3 GLN A 105 37.092 45.257 -38.772 1.00 11.23 H new ATOM 0 HE21 GLN A 105 37.499 43.430 -40.065 1.00 23.32 H new ATOM 0 HE22 GLN A 105 38.700 43.470 -41.361 1.00 23.32 H new ATOM 1568 N THR A 106 33.471 48.587 -39.957 1.00 25.35 N ATOM 1569 CA THR A 106 32.304 49.183 -40.585 1.00 43.25 C ATOM 1570 C THR A 106 32.421 49.147 -42.112 1.00 44.11 C ATOM 1571 O THR A 106 33.057 50.004 -42.732 1.00 33.22 O ATOM 1572 CB THR A 106 32.065 50.634 -40.083 1.00 61.32 C ATOM 1573 OG1 THR A 106 30.998 51.250 -40.814 1.00 1.35 O ATOM 1574 CG2 THR A 106 33.322 51.490 -40.197 1.00 5.13 C ATOM 0 H THR A 106 34.190 49.256 -39.680 1.00 25.35 H new ATOM 0 HA THR A 106 31.438 48.586 -40.297 1.00 43.25 H new ATOM 0 HB THR A 106 31.794 50.567 -39.029 1.00 61.32 H new ATOM 0 HG1 THR A 106 30.860 52.162 -40.484 1.00 1.35 H new ATOM 0 HG21 THR A 106 33.111 52.496 -39.836 1.00 5.13 H new ATOM 0 HG22 THR A 106 34.118 51.049 -39.598 1.00 5.13 H new ATOM 0 HG23 THR A 106 33.637 51.538 -41.240 1.00 5.13 H new ATOM 1582 N SER A 107 31.832 48.125 -42.712 1.00 30.10 N ATOM 1583 CA SER A 107 31.796 48.008 -44.158 1.00 71.15 C ATOM 1584 C SER A 107 30.630 48.813 -44.715 1.00 42.21 C ATOM 1585 O SER A 107 29.476 48.395 -44.622 1.00 53.14 O ATOM 1586 CB SER A 107 31.676 46.539 -44.573 1.00 62.32 C ATOM 1587 OG SER A 107 32.786 45.785 -44.111 1.00 35.01 O ATOM 0 H SER A 107 31.371 47.362 -42.216 1.00 30.10 H new ATOM 0 HA SER A 107 32.726 48.405 -44.566 1.00 71.15 H new ATOM 0 HB2 SER A 107 30.754 46.119 -44.171 1.00 62.32 H new ATOM 0 HB3 SER A 107 31.611 46.469 -45.659 1.00 62.32 H new ATOM 0 HG SER A 107 32.684 44.850 -44.388 1.00 35.01 H new ATOM 1593 N THR A 108 30.932 49.975 -45.268 1.00 61.34 N ATOM 1594 CA THR A 108 29.908 50.839 -45.817 1.00 45.01 C ATOM 1595 C THR A 108 29.701 50.560 -47.303 1.00 51.14 C ATOM 1596 O THR A 108 30.577 50.838 -48.123 1.00 24.12 O ATOM 1597 CB THR A 108 30.281 52.320 -45.622 1.00 51.54 C ATOM 1598 OG1 THR A 108 30.631 52.551 -44.250 1.00 42.23 O ATOM 1599 CG2 THR A 108 29.126 53.229 -46.012 1.00 12.31 C ATOM 0 H THR A 108 31.881 50.340 -45.348 1.00 61.34 H new ATOM 0 HA THR A 108 28.980 50.631 -45.284 1.00 45.01 H new ATOM 0 HB THR A 108 31.131 52.548 -46.265 1.00 51.54 H new ATOM 0 HG1 THR A 108 29.815 52.662 -43.719 1.00 42.23 H new ATOM 0 HG21 THR A 108 29.416 54.269 -45.865 1.00 12.31 H new ATOM 0 HG22 THR A 108 28.874 53.068 -47.060 1.00 12.31 H new ATOM 0 HG23 THR A 108 28.259 53.003 -45.391 1.00 12.31 H new ATOM 1607 N ILE A 109 28.561 49.977 -47.639 1.00 13.34 N ATOM 1608 CA ILE A 109 28.205 49.741 -49.029 1.00 55.11 C ATOM 1609 C ILE A 109 26.945 50.523 -49.383 1.00 14.15 C ATOM 1610 O ILE A 109 25.832 50.099 -49.080 1.00 1.14 O ATOM 1611 CB ILE A 109 27.976 48.239 -49.346 1.00 61.20 C ATOM 1612 CG1 ILE A 109 29.229 47.402 -49.064 1.00 73.01 C ATOM 1613 CG2 ILE A 109 27.558 48.056 -50.797 1.00 4.42 C ATOM 1614 CD1 ILE A 109 29.380 46.966 -47.621 1.00 12.41 C ATOM 0 H ILE A 109 27.865 49.658 -46.966 1.00 13.34 H new ATOM 0 HA ILE A 109 29.049 50.080 -49.630 1.00 55.11 H new ATOM 0 HB ILE A 109 27.177 47.890 -48.691 1.00 61.20 H new ATOM 0 HG12 ILE A 109 29.209 46.516 -49.698 1.00 73.01 H new ATOM 0 HG13 ILE A 109 30.108 47.979 -49.350 1.00 73.01 H new ATOM 0 HG21 ILE A 109 27.402 46.996 -51.000 1.00 4.42 H new ATOM 0 HG22 ILE A 109 26.632 48.601 -50.980 1.00 4.42 H new ATOM 0 HG23 ILE A 109 28.340 48.440 -51.452 1.00 4.42 H new ATOM 0 HD11 ILE A 109 30.292 46.379 -47.512 1.00 12.41 H new ATOM 0 HD12 ILE A 109 29.435 47.845 -46.979 1.00 12.41 H new ATOM 0 HD13 ILE A 109 28.522 46.359 -47.333 1.00 12.41 H new ATOM 1626 N GLN A 110 27.123 51.680 -49.995 1.00 42.43 N ATOM 1627 CA GLN A 110 25.992 52.490 -50.413 1.00 3.53 C ATOM 1628 C GLN A 110 25.325 51.897 -51.643 1.00 10.22 C ATOM 1629 O GLN A 110 25.960 51.180 -52.423 1.00 61.10 O ATOM 1630 CB GLN A 110 26.421 53.929 -50.691 1.00 51.25 C ATOM 1631 CG GLN A 110 26.443 54.787 -49.441 1.00 2.41 C ATOM 1632 CD GLN A 110 26.943 56.192 -49.705 1.00 4.14 C ATOM 1633 OE1 GLN A 110 26.164 57.095 -50.009 1.00 23.33 O ATOM 1634 NE2 GLN A 110 28.246 56.382 -49.597 1.00 32.10 N ATOM 0 H GLN A 110 28.036 52.079 -50.213 1.00 42.43 H new ATOM 0 HA GLN A 110 25.271 52.496 -49.596 1.00 3.53 H new ATOM 0 HB2 GLN A 110 27.413 53.927 -51.142 1.00 51.25 H new ATOM 0 HB3 GLN A 110 25.741 54.372 -51.418 1.00 51.25 H new ATOM 0 HG2 GLN A 110 25.438 54.836 -49.021 1.00 2.41 H new ATOM 0 HG3 GLN A 110 27.078 54.314 -48.692 1.00 2.41 H new ATOM 0 HE21 GLN A 110 28.855 55.605 -49.342 1.00 32.10 H new ATOM 0 HE22 GLN A 110 28.643 57.306 -49.768 1.00 32.10 H new ATOM 1643 N VAL A 111 24.041 52.179 -51.789 1.00 22.34 N ATOM 1644 CA VAL A 111 23.279 51.735 -52.940 1.00 74.24 C ATOM 1645 C VAL A 111 23.896 52.274 -54.229 1.00 21.00 C ATOM 1646 O VAL A 111 24.235 53.459 -54.324 1.00 75.11 O ATOM 1647 CB VAL A 111 21.799 52.173 -52.833 1.00 73.33 C ATOM 1648 CG1 VAL A 111 21.679 53.690 -52.750 1.00 13.23 C ATOM 1649 CG2 VAL A 111 20.988 51.636 -53.998 1.00 44.35 C ATOM 0 H VAL A 111 23.501 52.720 -51.114 1.00 22.34 H new ATOM 0 HA VAL A 111 23.310 50.646 -52.962 1.00 74.24 H new ATOM 0 HB VAL A 111 21.395 51.751 -51.913 1.00 73.33 H new ATOM 0 HG11 VAL A 111 20.628 53.968 -52.676 1.00 13.23 H new ATOM 0 HG12 VAL A 111 22.213 54.050 -51.870 1.00 13.23 H new ATOM 0 HG13 VAL A 111 22.111 54.139 -53.645 1.00 13.23 H new ATOM 0 HG21 VAL A 111 19.951 51.958 -53.899 1.00 44.35 H new ATOM 0 HG22 VAL A 111 21.398 52.017 -54.933 1.00 44.35 H new ATOM 0 HG23 VAL A 111 21.031 50.547 -54.000 1.00 44.35 H new