USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=14 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 78 MET CE :methyl -157:sc= 0 (180deg=-0.00198) USER MOD Set 1.2: A 80 THR OG1 : rot 113:sc= 1.08 USER MOD Single : A 47 THR OG1 : rot 88:sc= 0.0987 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.331 X(o=-0.33,f=-0.12) USER MOD Single : A 55 THR OG1 : rot -29:sc= 0.106 USER MOD Single : A 56 GLN : amide:sc= -0.242 X(o=-0.24,f=-0.54) USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -1.7 K(o=-1.7,f=-0.61) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -0.119 K(o=-0.12,f=-2.2!) USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= -0.193 X(o=-0.19,f=-0.0094) USER MOD Single : A 93 GLN : amide:sc= -2! K(o=-2!,f=-0.0072) USER MOD Single : A 95 GLN : amide:sc= -1.52! C(o=-1.5!,f=-2.4!) USER MOD Single : A 97 ASN : amide:sc= -1.34 K(o=-1.3,f=-5.8!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -150:sc= 1.47 (180deg=-0.29) USER MOD Single : A 103 THR OG1 : rot -10:sc= 0.288 USER MOD Single : A 105 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : 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 18.758 74.233 -12.787 1.00 65.21 N ATOM 660 CA GLU A 46 18.918 75.638 -12.396 1.00 41.54 C ATOM 661 C GLU A 46 20.177 76.252 -13.010 1.00 5.12 C ATOM 662 O GLU A 46 20.094 77.083 -13.912 1.00 43.23 O ATOM 663 CB GLU A 46 18.958 75.793 -10.871 1.00 55.55 C ATOM 664 CG GLU A 46 19.107 77.237 -10.421 1.00 14.53 C ATOM 665 CD GLU A 46 19.533 77.362 -8.975 1.00 0.14 C ATOM 666 OE1 GLU A 46 20.645 76.901 -8.641 1.00 65.32 O ATOM 667 OE2 GLU A 46 18.777 77.951 -8.175 1.00 5.55 O1- ATOM 0 HA GLU A 46 18.049 76.172 -12.779 1.00 41.54 H new ATOM 0 HB2 GLU A 46 18.044 75.379 -10.446 1.00 55.55 H new ATOM 0 HB3 GLU A 46 19.788 75.208 -10.474 1.00 55.55 H new ATOM 0 HG2 GLU A 46 19.840 77.736 -11.055 1.00 14.53 H new ATOM 0 HG3 GLU A 46 18.159 77.756 -10.561 1.00 14.53 H new ATOM 674 N THR A 47 21.335 75.827 -12.527 1.00 53.34 N ATOM 675 CA THR A 47 22.602 76.400 -12.945 1.00 11.21 C ATOM 676 C THR A 47 23.541 75.311 -13.476 1.00 2.33 C ATOM 677 O THR A 47 24.310 74.719 -12.716 1.00 31.14 O ATOM 678 CB THR A 47 23.283 77.157 -11.786 1.00 14.13 C ATOM 679 OG1 THR A 47 22.304 77.886 -11.027 1.00 60.32 O ATOM 680 CG2 THR A 47 24.328 78.127 -12.316 1.00 31.14 C ATOM 0 H THR A 47 21.421 75.080 -11.838 1.00 53.34 H new ATOM 0 HA THR A 47 22.392 77.110 -13.745 1.00 11.21 H new ATOM 0 HB THR A 47 23.772 76.423 -11.145 1.00 14.13 H new ATOM 0 HG1 THR A 47 21.938 77.308 -10.325 1.00 60.32 H new ATOM 0 HG21 THR A 47 24.795 78.650 -11.482 1.00 31.14 H new ATOM 0 HG22 THR A 47 25.088 77.576 -12.870 1.00 31.14 H new ATOM 0 HG23 THR A 47 23.851 78.851 -12.976 1.00 31.14 H new ATOM 688 N PRO A 48 23.455 75.002 -14.778 1.00 63.35 N ATOM 689 CA PRO A 48 24.245 73.935 -15.403 1.00 21.13 C ATOM 690 C PRO A 48 25.731 74.281 -15.498 1.00 23.22 C ATOM 691 O PRO A 48 26.106 75.282 -16.113 1.00 30.10 O ATOM 692 CB PRO A 48 23.645 73.797 -16.812 1.00 72.10 C ATOM 693 CG PRO A 48 22.408 74.633 -16.817 1.00 2.42 C ATOM 694 CD PRO A 48 22.596 75.680 -15.756 1.00 3.12 C ATOM 0 HA PRO A 48 24.199 73.018 -14.816 1.00 21.13 H new ATOM 0 HB2 PRO A 48 24.349 74.138 -17.571 1.00 72.10 H new ATOM 0 HB3 PRO A 48 23.413 72.756 -17.037 1.00 72.10 H new ATOM 0 HG2 PRO A 48 22.255 75.093 -17.793 1.00 2.42 H new ATOM 0 HG3 PRO A 48 21.528 74.024 -16.610 1.00 2.42 H new ATOM 0 HD2 PRO A 48 23.067 76.579 -16.154 1.00 3.12 H new ATOM 0 HD3 PRO A 48 21.646 75.986 -15.317 1.00 3.12 H new ATOM 702 N SER A 49 26.570 73.454 -14.882 1.00 1.52 N ATOM 703 CA SER A 49 28.012 73.650 -14.944 1.00 71.45 C ATOM 704 C SER A 49 28.649 72.771 -16.021 1.00 5.40 C ATOM 705 O SER A 49 28.798 73.196 -17.163 1.00 55.33 O ATOM 706 CB SER A 49 28.648 73.353 -13.585 1.00 4.01 C ATOM 707 OG SER A 49 28.128 74.205 -12.578 1.00 52.25 O ATOM 0 H SER A 49 26.276 72.644 -14.336 1.00 1.52 H new ATOM 0 HA SER A 49 28.194 74.692 -15.206 1.00 71.45 H new ATOM 0 HB2 SER A 49 28.466 72.313 -13.315 1.00 4.01 H new ATOM 0 HB3 SER A 49 29.729 73.481 -13.651 1.00 4.01 H new ATOM 0 HG SER A 49 28.550 73.993 -11.720 1.00 52.25 H new ATOM 713 N ALA A 50 28.981 71.530 -15.671 1.00 4.34 N ATOM 714 CA ALA A 50 29.666 70.638 -16.601 1.00 71.23 C ATOM 715 C ALA A 50 28.687 69.725 -17.327 1.00 52.43 C ATOM 716 O ALA A 50 29.084 68.760 -17.981 1.00 63.35 O ATOM 717 CB ALA A 50 30.708 69.816 -15.863 1.00 52.42 C ATOM 0 H ALA A 50 28.788 71.122 -14.756 1.00 4.34 H new ATOM 0 HA ALA A 50 30.161 71.253 -17.352 1.00 71.23 H new ATOM 0 HB1 ALA A 50 31.213 69.154 -16.566 1.00 52.42 H new ATOM 0 HB2 ALA A 50 31.438 70.482 -15.403 1.00 52.42 H new ATOM 0 HB3 ALA A 50 30.222 69.221 -15.090 1.00 52.42 H new ATOM 723 N LEU A 51 27.406 70.039 -17.223 1.00 14.24 N ATOM 724 CA LEU A 51 26.374 69.253 -17.890 1.00 65.24 C ATOM 725 C LEU A 51 25.606 70.113 -18.886 1.00 54.11 C ATOM 726 O LEU A 51 24.679 69.641 -19.549 1.00 73.42 O ATOM 727 CB LEU A 51 25.426 68.637 -16.853 1.00 34.13 C ATOM 728 CG LEU A 51 24.717 69.632 -15.926 1.00 14.14 C ATOM 729 CD1 LEU A 51 23.426 70.143 -16.550 1.00 42.24 C ATOM 730 CD2 LEU A 51 24.439 68.990 -14.575 1.00 32.32 C ATOM 0 H LEU A 51 27.054 70.831 -16.685 1.00 14.24 H new ATOM 0 HA LEU A 51 26.852 68.444 -18.443 1.00 65.24 H new ATOM 0 HB2 LEU A 51 24.669 68.056 -17.380 1.00 34.13 H new ATOM 0 HB3 LEU A 51 25.994 67.938 -16.239 1.00 34.13 H new ATOM 0 HG LEU A 51 25.378 70.486 -15.779 1.00 14.14 H new ATOM 0 HD11 LEU A 51 22.946 70.846 -15.869 1.00 42.24 H new ATOM 0 HD12 LEU A 51 23.651 70.645 -17.491 1.00 42.24 H new ATOM 0 HD13 LEU A 51 22.755 69.304 -16.737 1.00 42.24 H new ATOM 0 HD21 LEU A 51 23.936 69.708 -13.928 1.00 32.32 H new ATOM 0 HD22 LEU A 51 23.802 68.116 -14.712 1.00 32.32 H new ATOM 0 HD23 LEU A 51 25.380 68.685 -14.116 1.00 32.32 H new ATOM 742 N ASP A 52 26.020 71.369 -18.999 1.00 2.23 N ATOM 743 CA ASP A 52 25.315 72.350 -19.821 1.00 12.25 C ATOM 744 C ASP A 52 25.331 71.961 -21.292 1.00 34.31 C ATOM 745 O ASP A 52 24.285 71.738 -21.900 1.00 33.15 O ATOM 746 CB ASP A 52 25.952 73.729 -19.653 1.00 5.20 C ATOM 747 CG ASP A 52 25.212 74.810 -20.417 1.00 62.52 C ATOM 748 OD1 ASP A 52 24.414 75.538 -19.795 1.00 12.41 O ATOM 749 OD2 ASP A 52 25.435 74.949 -21.641 1.00 63.02 O1- ATOM 0 H ASP A 52 26.847 71.736 -18.528 1.00 2.23 H new ATOM 0 HA ASP A 52 24.278 72.378 -19.486 1.00 12.25 H new ATOM 0 HB2 ASP A 52 25.975 73.988 -18.594 1.00 5.20 H new ATOM 0 HB3 ASP A 52 26.987 73.691 -19.994 1.00 5.20 H new ATOM 754 N ASN A 53 26.527 71.853 -21.849 1.00 61.25 N ATOM 755 CA ASN A 53 26.680 71.585 -23.273 1.00 42.12 C ATOM 756 C ASN A 53 26.443 70.113 -23.577 1.00 63.01 C ATOM 757 O ASN A 53 26.262 69.727 -24.733 1.00 23.25 O ATOM 758 CB ASN A 53 28.062 72.031 -23.767 1.00 44.53 C ATOM 759 CG ASN A 53 29.207 71.381 -23.014 1.00 73.01 C ATOM 760 OD1 ASN A 53 29.669 70.301 -23.381 1.00 72.42 O ATOM 761 ND2 ASN A 53 29.696 72.046 -21.973 1.00 31.23 N ATOM 0 H ASN A 53 27.405 71.946 -21.339 1.00 61.25 H new ATOM 0 HA ASN A 53 25.928 72.164 -23.808 1.00 42.12 H new ATOM 0 HB2 ASN A 53 28.154 71.796 -24.827 1.00 44.53 H new ATOM 0 HB3 ASN A 53 28.142 73.114 -23.672 1.00 44.53 H new ATOM 0 HD21 ASN A 53 30.482 71.664 -21.447 1.00 31.23 H new ATOM 0 HD22 ASN A 53 29.286 72.939 -21.700 1.00 31.23 H new ATOM 768 N PHE A 54 26.428 69.294 -22.534 1.00 22.14 N ATOM 769 CA PHE A 54 26.131 67.880 -22.679 1.00 43.23 C ATOM 770 C PHE A 54 24.682 67.691 -23.115 1.00 0.30 C ATOM 771 O PHE A 54 24.414 67.127 -24.173 1.00 51.31 O ATOM 772 CB PHE A 54 26.394 67.142 -21.363 1.00 64.13 C ATOM 773 CG PHE A 54 26.138 65.663 -21.432 1.00 32.43 C ATOM 774 CD1 PHE A 54 25.034 65.106 -20.804 1.00 20.25 C ATOM 775 CD2 PHE A 54 27.001 64.830 -22.123 1.00 52.44 C ATOM 776 CE1 PHE A 54 24.798 63.746 -20.864 1.00 74.25 C ATOM 777 CE2 PHE A 54 26.770 63.469 -22.187 1.00 41.13 C ATOM 778 CZ PHE A 54 25.667 62.928 -21.557 1.00 1.54 C ATOM 0 H PHE A 54 26.619 69.588 -21.576 1.00 22.14 H new ATOM 0 HA PHE A 54 26.784 67.461 -23.445 1.00 43.23 H new ATOM 0 HB2 PHE A 54 27.429 67.308 -21.066 1.00 64.13 H new ATOM 0 HB3 PHE A 54 25.765 67.574 -20.584 1.00 64.13 H new ATOM 0 HD1 PHE A 54 24.351 65.743 -20.262 1.00 20.25 H new ATOM 0 HD2 PHE A 54 27.865 65.249 -22.618 1.00 52.44 H new ATOM 0 HE1 PHE A 54 23.935 63.324 -20.370 1.00 74.25 H new ATOM 0 HE2 PHE A 54 27.451 62.830 -22.729 1.00 41.13 H new ATOM 0 HZ PHE A 54 25.484 61.865 -21.607 1.00 1.54 H new ATOM 788 N THR A 55 23.749 68.197 -22.312 1.00 75.41 N ATOM 789 CA THR A 55 22.331 68.070 -22.624 1.00 62.12 C ATOM 790 C THR A 55 21.947 69.021 -23.759 1.00 21.25 C ATOM 791 O THR A 55 20.871 68.911 -24.346 1.00 1.24 O ATOM 792 CB THR A 55 21.447 68.336 -21.378 1.00 4.21 C ATOM 793 OG1 THR A 55 20.085 67.958 -21.637 1.00 21.43 O ATOM 794 CG2 THR A 55 21.503 69.802 -20.964 1.00 4.31 C ATOM 0 H THR A 55 23.949 68.696 -21.445 1.00 75.41 H new ATOM 0 HA THR A 55 22.154 67.044 -22.945 1.00 62.12 H new ATOM 0 HB THR A 55 21.839 67.731 -20.560 1.00 4.21 H new ATOM 0 HG1 THR A 55 19.894 68.056 -22.593 1.00 21.43 H new ATOM 0 HG21 THR A 55 20.873 69.957 -20.088 1.00 4.31 H new ATOM 0 HG22 THR A 55 22.531 70.073 -20.724 1.00 4.31 H new ATOM 0 HG23 THR A 55 21.145 70.425 -21.783 1.00 4.31 H new ATOM 802 N GLN A 56 22.853 69.941 -24.073 1.00 32.54 N ATOM 803 CA GLN A 56 22.636 70.904 -25.140 1.00 40.22 C ATOM 804 C GLN A 56 22.694 70.196 -26.489 1.00 42.31 C ATOM 805 O GLN A 56 21.812 70.365 -27.330 1.00 33.50 O ATOM 806 CB GLN A 56 23.700 72.002 -25.080 1.00 24.31 C ATOM 807 CG GLN A 56 23.217 73.362 -25.551 1.00 3.12 C ATOM 808 CD GLN A 56 22.145 73.938 -24.645 1.00 23.51 C ATOM 809 OE1 GLN A 56 20.951 73.747 -24.874 1.00 22.43 O ATOM 810 NE2 GLN A 56 22.571 74.629 -23.594 1.00 51.20 N ATOM 0 H GLN A 56 23.750 70.038 -23.598 1.00 32.54 H new ATOM 0 HA GLN A 56 21.654 71.360 -25.016 1.00 40.22 H new ATOM 0 HB2 GLN A 56 24.057 72.091 -24.054 1.00 24.31 H new ATOM 0 HB3 GLN A 56 24.552 71.700 -25.689 1.00 24.31 H new ATOM 0 HG2 GLN A 56 24.061 74.050 -25.594 1.00 3.12 H new ATOM 0 HG3 GLN A 56 22.825 73.275 -26.564 1.00 3.12 H new ATOM 0 HE21 GLN A 56 23.571 74.763 -23.443 1.00 51.20 H new ATOM 0 HE22 GLN A 56 21.898 75.026 -22.938 1.00 51.20 H new ATOM 819 N ALA A 57 23.728 69.378 -26.668 1.00 43.12 N ATOM 820 CA ALA A 57 23.910 68.619 -27.899 1.00 74.22 C ATOM 821 C ALA A 57 22.834 67.549 -28.042 1.00 13.44 C ATOM 822 O ALA A 57 22.464 67.169 -29.154 1.00 44.41 O ATOM 823 CB ALA A 57 25.292 67.985 -27.928 1.00 32.32 C ATOM 0 H ALA A 57 24.456 69.224 -25.970 1.00 43.12 H new ATOM 0 HA ALA A 57 23.820 69.307 -28.740 1.00 74.22 H new ATOM 0 HB1 ALA A 57 25.414 67.421 -28.853 1.00 32.32 H new ATOM 0 HB2 ALA A 57 26.051 68.765 -27.875 1.00 32.32 H new ATOM 0 HB3 ALA A 57 25.402 67.314 -27.076 1.00 32.32 H new ATOM 829 N ILE A 58 22.326 67.075 -26.911 1.00 52.41 N ATOM 830 CA ILE A 58 21.282 66.055 -26.911 1.00 43.42 C ATOM 831 C ILE A 58 20.014 66.583 -27.575 1.00 42.32 C ATOM 832 O ILE A 58 19.356 65.876 -28.336 1.00 2.22 O ATOM 833 CB ILE A 58 20.956 65.567 -25.483 1.00 4.31 C ATOM 834 CG1 ILE A 58 22.224 65.038 -24.808 1.00 33.32 C ATOM 835 CG2 ILE A 58 19.878 64.489 -25.516 1.00 22.11 C ATOM 836 CD1 ILE A 58 21.975 64.390 -23.462 1.00 75.03 C ATOM 0 H ILE A 58 22.619 67.379 -25.983 1.00 52.41 H new ATOM 0 HA ILE A 58 21.662 65.207 -27.481 1.00 43.42 H new ATOM 0 HB ILE A 58 20.576 66.409 -24.905 1.00 4.31 H new ATOM 0 HG12 ILE A 58 22.700 64.312 -25.468 1.00 33.32 H new ATOM 0 HG13 ILE A 58 22.927 65.861 -24.680 1.00 33.32 H new ATOM 0 HG21 ILE A 58 19.663 64.158 -24.500 1.00 22.11 H new ATOM 0 HG22 ILE A 58 18.972 64.895 -25.965 1.00 22.11 H new ATOM 0 HG23 ILE A 58 20.228 63.642 -26.106 1.00 22.11 H new ATOM 0 HD11 ILE A 58 22.920 64.040 -23.046 1.00 75.03 H new ATOM 0 HD12 ILE A 58 21.528 65.118 -22.785 1.00 75.03 H new ATOM 0 HD13 ILE A 58 21.298 63.545 -23.585 1.00 75.03 H new ATOM 848 N GLN A 59 19.697 67.840 -27.310 1.00 20.32 N ATOM 849 CA GLN A 59 18.518 68.466 -27.892 1.00 43.14 C ATOM 850 C GLN A 59 18.652 68.560 -29.411 1.00 30.01 C ATOM 851 O GLN A 59 17.664 68.481 -30.140 1.00 22.32 O ATOM 852 CB GLN A 59 18.305 69.857 -27.297 1.00 0.24 C ATOM 853 CG GLN A 59 18.052 69.851 -25.799 1.00 33.03 C ATOM 854 CD GLN A 59 17.815 71.242 -25.246 1.00 32.54 C ATOM 855 OE1 GLN A 59 17.302 72.119 -25.940 1.00 24.13 O ATOM 856 NE2 GLN A 59 18.184 71.454 -23.993 1.00 51.23 N ATOM 0 H GLN A 59 20.239 68.448 -26.696 1.00 20.32 H new ATOM 0 HA GLN A 59 17.652 67.847 -27.658 1.00 43.14 H new ATOM 0 HB2 GLN A 59 19.182 70.469 -27.505 1.00 0.24 H new ATOM 0 HB3 GLN A 59 17.460 70.330 -27.797 1.00 0.24 H new ATOM 0 HG2 GLN A 59 17.187 69.225 -25.582 1.00 33.03 H new ATOM 0 HG3 GLN A 59 18.906 69.402 -25.291 1.00 33.03 H new ATOM 0 HE21 GLN A 59 18.606 70.700 -23.451 1.00 51.23 H new ATOM 0 HE22 GLN A 59 18.046 72.371 -23.569 1.00 51.23 H new ATOM 865 N SER A 60 19.883 68.702 -29.881 1.00 51.04 N ATOM 866 CA SER A 60 20.152 68.837 -31.303 1.00 11.41 C ATOM 867 C SER A 60 20.157 67.476 -32.000 1.00 54.31 C ATOM 868 O SER A 60 19.607 67.329 -33.092 1.00 71.15 O ATOM 869 CB SER A 60 21.495 69.537 -31.509 1.00 73.34 C ATOM 870 OG SER A 60 21.569 70.728 -30.743 1.00 3.51 O ATOM 0 H SER A 60 20.716 68.727 -29.293 1.00 51.04 H new ATOM 0 HA SER A 60 19.356 69.436 -31.746 1.00 11.41 H new ATOM 0 HB2 SER A 60 22.306 68.867 -31.225 1.00 73.34 H new ATOM 0 HB3 SER A 60 21.629 69.770 -32.565 1.00 73.34 H new ATOM 0 HG SER A 60 22.438 71.158 -30.889 1.00 3.51 H new ATOM 876 N GLN A 61 20.757 66.479 -31.353 1.00 30.10 N ATOM 877 CA GLN A 61 20.899 65.154 -31.952 1.00 24.42 C ATOM 878 C GLN A 61 19.546 64.472 -32.127 1.00 14.32 C ATOM 879 O GLN A 61 19.412 63.538 -32.919 1.00 1.12 O ATOM 880 CB GLN A 61 21.833 64.272 -31.120 1.00 64.21 C ATOM 881 CG GLN A 61 21.344 64.002 -29.711 1.00 32.32 C ATOM 882 CD GLN A 61 22.300 63.136 -28.913 1.00 64.01 C ATOM 883 OE1 GLN A 61 21.883 62.391 -28.031 1.00 52.54 O ATOM 884 NE2 GLN A 61 23.589 63.233 -29.207 1.00 61.52 N ATOM 0 H GLN A 61 21.152 66.563 -30.416 1.00 30.10 H new ATOM 0 HA GLN A 61 21.339 65.291 -32.940 1.00 24.42 H new ATOM 0 HB2 GLN A 61 21.968 63.320 -31.634 1.00 64.21 H new ATOM 0 HB3 GLN A 61 22.812 64.748 -31.067 1.00 64.21 H new ATOM 0 HG2 GLN A 61 21.201 64.950 -29.193 1.00 32.32 H new ATOM 0 HG3 GLN A 61 20.370 63.514 -29.756 1.00 32.32 H new ATOM 0 HE21 GLN A 61 23.897 63.864 -29.947 1.00 61.52 H new ATOM 0 HE22 GLN A 61 24.273 62.677 -28.693 1.00 61.52 H new ATOM 893 N ILE A 62 18.541 64.950 -31.396 1.00 25.21 N ATOM 894 CA ILE A 62 17.187 64.437 -31.548 1.00 60.23 C ATOM 895 C ILE A 62 16.702 64.711 -32.960 1.00 4.22 C ATOM 896 O ILE A 62 16.189 63.824 -33.637 1.00 73.53 O ATOM 897 CB ILE A 62 16.207 65.077 -30.536 1.00 31.41 C ATOM 898 CG1 ILE A 62 16.619 64.719 -29.109 1.00 75.12 C ATOM 899 CG2 ILE A 62 14.774 64.626 -30.804 1.00 11.33 C ATOM 900 CD1 ILE A 62 15.780 65.393 -28.037 1.00 54.33 C ATOM 0 H ILE A 62 18.640 65.687 -30.698 1.00 25.21 H new ATOM 0 HA ILE A 62 17.213 63.365 -31.353 1.00 60.23 H new ATOM 0 HB ILE A 62 16.248 66.160 -30.656 1.00 31.41 H new ATOM 0 HG12 ILE A 62 16.552 63.638 -28.983 1.00 75.12 H new ATOM 0 HG13 ILE A 62 17.664 64.993 -28.964 1.00 75.12 H new ATOM 0 HG21 ILE A 62 14.105 65.090 -30.079 1.00 11.33 H new ATOM 0 HG22 ILE A 62 14.481 64.924 -31.811 1.00 11.33 H new ATOM 0 HG23 ILE A 62 14.711 63.542 -30.714 1.00 11.33 H new ATOM 0 HD11 ILE A 62 16.135 65.088 -27.052 1.00 54.33 H new ATOM 0 HD12 ILE A 62 15.866 66.475 -28.135 1.00 54.33 H new ATOM 0 HD13 ILE A 62 14.737 65.100 -28.154 1.00 54.33 H new ATOM 912 N LEU A 63 16.904 65.946 -33.403 1.00 64.35 N ATOM 913 CA LEU A 63 16.531 66.352 -34.749 1.00 53.53 C ATOM 914 C LEU A 63 17.349 65.589 -35.782 1.00 34.31 C ATOM 915 O LEU A 63 16.810 65.116 -36.783 1.00 74.53 O ATOM 916 CB LEU A 63 16.733 67.861 -34.939 1.00 24.15 C ATOM 917 CG LEU A 63 15.646 68.765 -34.343 1.00 14.34 C ATOM 918 CD1 LEU A 63 15.646 68.705 -32.823 1.00 52.54 C ATOM 919 CD2 LEU A 63 15.834 70.198 -34.819 1.00 61.01 C ATOM 0 H LEU A 63 17.327 66.687 -32.844 1.00 64.35 H new ATOM 0 HA LEU A 63 15.475 66.120 -34.889 1.00 53.53 H new ATOM 0 HB2 LEU A 63 17.690 68.138 -34.497 1.00 24.15 H new ATOM 0 HB3 LEU A 63 16.803 68.067 -36.007 1.00 24.15 H new ATOM 0 HG LEU A 63 14.679 68.401 -34.689 1.00 14.34 H new ATOM 0 HD11 LEU A 63 14.864 69.357 -32.433 1.00 52.54 H new ATOM 0 HD12 LEU A 63 15.460 67.681 -32.499 1.00 52.54 H new ATOM 0 HD13 LEU A 63 16.614 69.034 -32.446 1.00 52.54 H new ATOM 0 HD21 LEU A 63 15.056 70.829 -34.389 1.00 61.01 H new ATOM 0 HD22 LEU A 63 16.812 70.561 -34.503 1.00 61.01 H new ATOM 0 HD23 LEU A 63 15.769 70.232 -35.907 1.00 61.01 H new ATOM 931 N GLY A 64 18.648 65.459 -35.521 1.00 54.14 N ATOM 932 CA GLY A 64 19.531 64.748 -36.429 1.00 43.53 C ATOM 933 C GLY A 64 19.087 63.319 -36.673 1.00 42.50 C ATOM 934 O GLY A 64 19.071 62.850 -37.813 1.00 45.41 O ATOM 0 H GLY A 64 19.106 65.836 -34.691 1.00 54.14 H new ATOM 0 HA2 GLY A 64 19.573 65.279 -37.380 1.00 43.53 H new ATOM 0 HA3 GLY A 64 20.542 64.746 -36.020 1.00 43.53 H new ATOM 938 N GLY A 65 18.718 62.630 -35.601 1.00 25.24 N ATOM 939 CA GLY A 65 18.256 61.265 -35.724 1.00 5.50 C ATOM 940 C GLY A 65 16.847 61.178 -36.280 1.00 33.53 C ATOM 941 O GLY A 65 16.568 60.363 -37.163 1.00 11.34 O ATOM 0 H GLY A 65 18.731 62.994 -34.648 1.00 25.24 H new ATOM 0 HA2 GLY A 65 18.935 60.712 -36.374 1.00 5.50 H new ATOM 0 HA3 GLY A 65 18.288 60.784 -34.746 1.00 5.50 H new ATOM 945 N LEU A 66 15.962 62.033 -35.774 1.00 53.33 N ATOM 946 CA LEU A 66 14.559 62.036 -36.180 1.00 72.23 C ATOM 947 C LEU A 66 14.417 62.268 -37.682 1.00 34.12 C ATOM 948 O LEU A 66 13.748 61.498 -38.371 1.00 33.03 O ATOM 949 CB LEU A 66 13.780 63.110 -35.411 1.00 31.31 C ATOM 950 CG LEU A 66 12.284 63.181 -35.728 1.00 64.21 C ATOM 951 CD1 LEU A 66 11.583 61.900 -35.305 1.00 22.03 C ATOM 952 CD2 LEU A 66 11.656 64.383 -35.043 1.00 65.03 C ATOM 0 H LEU A 66 16.195 62.739 -35.076 1.00 53.33 H new ATOM 0 HA LEU A 66 14.145 61.056 -35.944 1.00 72.23 H new ATOM 0 HB2 LEU A 66 13.901 62.929 -34.343 1.00 31.31 H new ATOM 0 HB3 LEU A 66 14.227 64.082 -35.622 1.00 31.31 H new ATOM 0 HG LEU A 66 12.166 63.294 -36.806 1.00 64.21 H new ATOM 0 HD11 LEU A 66 10.521 61.972 -35.539 1.00 22.03 H new ATOM 0 HD12 LEU A 66 12.016 61.055 -35.840 1.00 22.03 H new ATOM 0 HD13 LEU A 66 11.709 61.754 -34.232 1.00 22.03 H new ATOM 0 HD21 LEU A 66 10.592 64.421 -35.277 1.00 65.03 H new ATOM 0 HD22 LEU A 66 11.787 64.297 -33.964 1.00 65.03 H new ATOM 0 HD23 LEU A 66 12.138 65.295 -35.395 1.00 65.03 H new ATOM 964 N LEU A 67 15.078 63.306 -38.186 1.00 53.21 N ATOM 965 CA LEU A 67 14.964 63.683 -39.593 1.00 64.45 C ATOM 966 C LEU A 67 15.490 62.593 -40.518 1.00 60.43 C ATOM 967 O LEU A 67 15.188 62.583 -41.710 1.00 44.24 O ATOM 968 CB LEU A 67 15.707 64.995 -39.865 1.00 51.43 C ATOM 969 CG LEU A 67 15.124 66.228 -39.170 1.00 3.00 C ATOM 970 CD1 LEU A 67 15.949 67.462 -39.501 1.00 70.32 C ATOM 971 CD2 LEU A 67 13.669 66.437 -39.573 1.00 22.21 C ATOM 0 H LEU A 67 15.700 63.903 -37.640 1.00 53.21 H new ATOM 0 HA LEU A 67 13.903 63.820 -39.801 1.00 64.45 H new ATOM 0 HB2 LEU A 67 16.745 64.878 -39.553 1.00 51.43 H new ATOM 0 HB3 LEU A 67 15.716 65.173 -40.940 1.00 51.43 H new ATOM 0 HG LEU A 67 15.160 66.063 -38.093 1.00 3.00 H new ATOM 0 HD11 LEU A 67 15.522 68.330 -39.000 1.00 70.32 H new ATOM 0 HD12 LEU A 67 16.975 67.315 -39.162 1.00 70.32 H new ATOM 0 HD13 LEU A 67 15.942 67.626 -40.579 1.00 70.32 H new ATOM 0 HD21 LEU A 67 13.274 67.318 -39.068 1.00 22.21 H new ATOM 0 HD22 LEU A 67 13.607 66.579 -40.652 1.00 22.21 H new ATOM 0 HD23 LEU A 67 13.083 65.563 -39.288 1.00 22.21 H new ATOM 983 N SER A 68 16.274 61.675 -39.974 1.00 40.32 N ATOM 984 CA SER A 68 16.792 60.573 -40.757 1.00 11.31 C ATOM 985 C SER A 68 15.706 59.513 -40.939 1.00 75.02 C ATOM 986 O SER A 68 15.459 59.042 -42.050 1.00 75.11 O ATOM 987 CB SER A 68 18.028 59.976 -40.078 1.00 0.14 C ATOM 988 OG SER A 68 18.753 59.144 -40.963 1.00 4.11 O ATOM 0 H SER A 68 16.563 61.674 -38.996 1.00 40.32 H new ATOM 0 HA SER A 68 17.089 60.939 -41.740 1.00 11.31 H new ATOM 0 HB2 SER A 68 18.673 60.779 -39.722 1.00 0.14 H new ATOM 0 HB3 SER A 68 17.722 59.401 -39.204 1.00 0.14 H new ATOM 0 HG SER A 68 19.537 58.779 -40.501 1.00 4.11 H new ATOM 994 N ASN A 69 15.020 59.186 -39.847 1.00 22.22 N ATOM 995 CA ASN A 69 14.002 58.140 -39.863 1.00 3.21 C ATOM 996 C ASN A 69 12.698 58.650 -40.470 1.00 33.23 C ATOM 997 O ASN A 69 11.793 57.870 -40.755 1.00 41.32 O ATOM 998 CB ASN A 69 13.739 57.603 -38.449 1.00 53.44 C ATOM 999 CG ASN A 69 14.932 56.869 -37.855 1.00 25.14 C ATOM 1000 OD1 ASN A 69 16.083 57.204 -38.122 1.00 41.35 O ATOM 1001 ND2 ASN A 69 14.664 55.857 -37.041 1.00 2.13 N ATOM 0 H ASN A 69 15.151 59.631 -38.939 1.00 22.22 H new ATOM 0 HA ASN A 69 14.383 57.328 -40.482 1.00 3.21 H new ATOM 0 HB2 ASN A 69 13.470 58.433 -37.796 1.00 53.44 H new ATOM 0 HB3 ASN A 69 12.883 56.929 -38.477 1.00 53.44 H new ATOM 0 HD21 ASN A 69 15.426 55.330 -36.615 1.00 2.13 H new ATOM 0 HD22 ASN A 69 13.696 55.606 -36.841 1.00 2.13 H new ATOM 1008 N ILE A 70 12.601 59.961 -40.658 1.00 71.41 N ATOM 1009 CA ILE A 70 11.430 60.556 -41.295 1.00 54.25 C ATOM 1010 C ILE A 70 11.272 60.030 -42.721 1.00 15.54 C ATOM 1011 O ILE A 70 10.159 59.760 -43.172 1.00 23.53 O ATOM 1012 CB ILE A 70 11.518 62.101 -41.323 1.00 3.10 C ATOM 1013 CG1 ILE A 70 11.404 62.676 -39.909 1.00 23.53 C ATOM 1014 CG2 ILE A 70 10.446 62.700 -42.225 1.00 12.32 C ATOM 1015 CD1 ILE A 70 10.125 62.291 -39.191 1.00 42.43 C ATOM 0 H ILE A 70 13.317 60.632 -40.379 1.00 71.41 H new ATOM 0 HA ILE A 70 10.560 60.272 -40.702 1.00 54.25 H new ATOM 0 HB ILE A 70 12.492 62.369 -41.731 1.00 3.10 H new ATOM 0 HG12 ILE A 70 12.256 62.337 -39.320 1.00 23.53 H new ATOM 0 HG13 ILE A 70 11.466 63.763 -39.963 1.00 23.53 H new ATOM 0 HG21 ILE A 70 10.534 63.786 -42.223 1.00 12.32 H new ATOM 0 HG22 ILE A 70 10.575 62.327 -43.241 1.00 12.32 H new ATOM 0 HG23 ILE A 70 9.460 62.416 -41.857 1.00 12.32 H new ATOM 0 HD11 ILE A 70 10.118 62.736 -38.196 1.00 42.43 H new ATOM 0 HD12 ILE A 70 9.267 62.654 -39.757 1.00 42.43 H new ATOM 0 HD13 ILE A 70 10.069 61.206 -39.103 1.00 42.43 H new ATOM 1129 N MET A 78 19.384 45.518 -39.316 1.00 12.00 N ATOM 1130 CA MET A 78 19.256 44.173 -39.843 1.00 2.03 C ATOM 1131 C MET A 78 19.973 43.191 -38.928 1.00 70.13 C ATOM 1132 O MET A 78 21.206 43.129 -38.909 1.00 44.34 O ATOM 1133 CB MET A 78 19.830 44.104 -41.263 1.00 63.14 C ATOM 1134 CG MET A 78 19.734 42.730 -41.905 1.00 52.15 C ATOM 1135 SD MET A 78 20.387 42.709 -43.583 1.00 73.31 S ATOM 1136 CE MET A 78 20.142 40.991 -44.018 1.00 35.54 C ATOM 0 HA MET A 78 18.200 43.905 -39.887 1.00 2.03 H new ATOM 0 HB2 MET A 78 19.305 44.824 -41.891 1.00 63.14 H new ATOM 0 HB3 MET A 78 20.876 44.408 -41.236 1.00 63.14 H new ATOM 0 HG2 MET A 78 20.280 42.009 -41.297 1.00 52.15 H new ATOM 0 HG3 MET A 78 18.692 42.411 -41.920 1.00 52.15 H new ATOM 0 HE1 MET A 78 20.831 40.716 -44.817 1.00 35.54 H new ATOM 0 HE2 MET A 78 20.329 40.365 -43.146 1.00 35.54 H new ATOM 0 HE3 MET A 78 19.116 40.844 -44.357 1.00 35.54 H new ATOM 1146 N VAL A 79 19.199 42.438 -38.160 1.00 63.22 N ATOM 1147 CA VAL A 79 19.763 41.513 -37.192 1.00 53.31 C ATOM 1148 C VAL A 79 20.064 40.173 -37.855 1.00 34.33 C ATOM 1149 O VAL A 79 19.319 39.200 -37.706 1.00 23.05 O ATOM 1150 CB VAL A 79 18.823 41.304 -35.981 1.00 51.15 C ATOM 1151 CG1 VAL A 79 19.522 40.514 -34.880 1.00 62.34 C ATOM 1152 CG2 VAL A 79 18.322 42.640 -35.446 1.00 20.14 C ATOM 0 H VAL A 79 18.180 42.450 -38.189 1.00 63.22 H new ATOM 0 HA VAL A 79 20.690 41.951 -36.822 1.00 53.31 H new ATOM 0 HB VAL A 79 17.962 40.728 -36.320 1.00 51.15 H new ATOM 0 HG11 VAL A 79 18.841 40.380 -34.040 1.00 62.34 H new ATOM 0 HG12 VAL A 79 19.819 39.539 -35.265 1.00 62.34 H new ATOM 0 HG13 VAL A 79 20.406 41.058 -34.547 1.00 62.34 H new ATOM 0 HG21 VAL A 79 17.663 42.467 -34.595 1.00 20.14 H new ATOM 0 HG22 VAL A 79 19.171 43.247 -35.130 1.00 20.14 H new ATOM 0 HG23 VAL A 79 17.773 43.163 -36.229 1.00 20.14 H new ATOM 1162 N THR A 80 21.143 40.140 -38.619 1.00 24.24 N ATOM 1163 CA THR A 80 21.564 38.928 -39.299 1.00 43.31 C ATOM 1164 C THR A 80 22.327 38.021 -38.332 1.00 22.22 C ATOM 1165 O THR A 80 22.421 38.316 -37.136 1.00 20.53 O ATOM 1166 CB THR A 80 22.448 39.268 -40.515 1.00 4.42 C ATOM 1167 OG1 THR A 80 22.236 40.636 -40.894 1.00 23.43 O ATOM 1168 CG2 THR A 80 22.120 38.363 -41.697 1.00 23.11 C ATOM 0 H THR A 80 21.747 40.945 -38.784 1.00 24.24 H new ATOM 0 HA THR A 80 20.676 38.403 -39.652 1.00 43.31 H new ATOM 0 HB THR A 80 23.490 39.113 -40.236 1.00 4.42 H new ATOM 0 HG1 THR A 80 23.051 41.153 -40.722 1.00 23.43 H new ATOM 0 HG21 THR A 80 22.757 38.623 -42.542 1.00 23.11 H new ATOM 0 HG22 THR A 80 22.293 37.324 -41.418 1.00 23.11 H new ATOM 0 HG23 THR A 80 21.075 38.494 -41.977 1.00 23.11 H new ATOM 1176 N ASN A 81 22.855 36.916 -38.838 1.00 12.13 N ATOM 1177 CA ASN A 81 23.563 35.961 -37.993 1.00 13.33 C ATOM 1178 C ASN A 81 24.983 36.437 -37.712 1.00 53.52 C ATOM 1179 O ASN A 81 25.455 36.368 -36.578 1.00 72.31 O ATOM 1180 CB ASN A 81 23.590 34.582 -38.651 1.00 31.34 C ATOM 1181 CG ASN A 81 22.207 33.981 -38.803 1.00 23.22 C ATOM 1182 OD1 ASN A 81 21.310 34.242 -37.997 1.00 55.05 O ATOM 1183 ND2 ASN A 81 22.026 33.173 -39.833 1.00 51.02 N ATOM 0 H ASN A 81 22.808 36.658 -39.824 1.00 12.13 H new ATOM 0 HA ASN A 81 23.030 35.887 -37.045 1.00 13.33 H new ATOM 0 HB2 ASN A 81 24.058 34.661 -39.632 1.00 31.34 H new ATOM 0 HB3 ASN A 81 24.210 33.912 -38.056 1.00 31.34 H new ATOM 0 HD21 ASN A 81 21.116 32.738 -39.986 1.00 51.02 H new ATOM 0 HD22 ASN A 81 22.796 32.985 -40.475 1.00 51.02 H new ATOM 1190 N ASP A 82 25.657 36.928 -38.747 1.00 32.11 N ATOM 1191 CA ASP A 82 27.018 37.432 -38.594 1.00 24.13 C ATOM 1192 C ASP A 82 26.998 38.954 -38.543 1.00 61.51 C ATOM 1193 O ASP A 82 27.076 39.550 -37.471 1.00 75.51 O ATOM 1194 CB ASP A 82 27.916 36.958 -39.747 1.00 23.52 C ATOM 1195 CG ASP A 82 29.403 37.082 -39.442 1.00 72.21 C ATOM 1196 OD1 ASP A 82 30.104 36.042 -39.469 1.00 63.25 O ATOM 1197 OD2 ASP A 82 29.887 38.201 -39.182 1.00 30.43 O1- ATOM 0 H ASP A 82 25.286 36.988 -39.695 1.00 32.11 H new ATOM 0 HA ASP A 82 27.427 37.041 -37.663 1.00 24.13 H new ATOM 0 HB2 ASP A 82 27.684 35.918 -39.975 1.00 23.52 H new ATOM 0 HB3 ASP A 82 27.686 37.539 -40.640 1.00 23.52 H new ATOM 1202 N TYR A 83 26.829 39.581 -39.700 1.00 2.10 N ATOM 1203 CA TYR A 83 26.917 41.033 -39.789 1.00 61.22 C ATOM 1204 C TYR A 83 25.629 41.689 -39.312 1.00 25.13 C ATOM 1205 O TYR A 83 24.572 41.517 -39.921 1.00 35.42 O ATOM 1206 CB TYR A 83 27.196 41.482 -41.228 1.00 22.35 C ATOM 1207 CG TYR A 83 28.351 40.780 -41.897 1.00 63.34 C ATOM 1208 CD1 TYR A 83 29.595 40.686 -41.285 1.00 54.31 C ATOM 1209 CD2 TYR A 83 28.196 40.221 -43.157 1.00 61.31 C ATOM 1210 CE1 TYR A 83 30.649 40.052 -41.911 1.00 54.50 C ATOM 1211 CE2 TYR A 83 29.245 39.585 -43.787 1.00 43.02 C ATOM 1212 CZ TYR A 83 30.468 39.501 -43.161 1.00 0.23 C ATOM 1213 OH TYR A 83 31.514 38.867 -43.787 1.00 35.22 O ATOM 0 H TYR A 83 26.632 39.111 -40.584 1.00 2.10 H new ATOM 0 HA TYR A 83 27.742 41.343 -39.147 1.00 61.22 H new ATOM 0 HB2 TYR A 83 26.298 41.322 -41.824 1.00 22.35 H new ATOM 0 HB3 TYR A 83 27.392 42.554 -41.228 1.00 22.35 H new ATOM 0 HD1 TYR A 83 29.739 41.116 -40.305 1.00 54.31 H new ATOM 0 HD2 TYR A 83 27.239 40.285 -43.653 1.00 61.31 H new ATOM 0 HE1 TYR A 83 31.611 39.988 -41.424 1.00 54.50 H new ATOM 0 HE2 TYR A 83 29.107 39.154 -44.768 1.00 43.02 H new ATOM 0 HH TYR A 83 31.219 38.534 -44.660 1.00 35.22 H new ATOM 1223 N ILE A 84 25.714 42.439 -38.226 1.00 71.04 N ATOM 1224 CA ILE A 84 24.596 43.266 -37.799 1.00 33.43 C ATOM 1225 C ILE A 84 24.629 44.584 -38.560 1.00 24.33 C ATOM 1226 O ILE A 84 25.444 45.463 -38.290 1.00 13.30 O ATOM 1227 CB ILE A 84 24.559 43.505 -36.265 1.00 35.11 C ATOM 1228 CG1 ILE A 84 25.929 43.272 -35.614 1.00 70.51 C ATOM 1229 CG2 ILE A 84 23.515 42.598 -35.632 1.00 63.41 C ATOM 1230 CD1 ILE A 84 26.940 44.370 -35.876 1.00 21.15 C ATOM 0 H ILE A 84 26.538 42.493 -37.628 1.00 71.04 H new ATOM 0 HA ILE A 84 23.678 42.726 -38.032 1.00 33.43 H new ATOM 0 HB ILE A 84 24.293 44.548 -36.095 1.00 35.11 H new ATOM 0 HG12 ILE A 84 25.794 43.169 -34.537 1.00 70.51 H new ATOM 0 HG13 ILE A 84 26.334 42.327 -35.976 1.00 70.51 H new ATOM 0 HG21 ILE A 84 23.491 42.767 -34.555 1.00 63.41 H new ATOM 0 HG22 ILE A 84 22.536 42.819 -36.056 1.00 63.41 H new ATOM 0 HG23 ILE A 84 23.770 41.557 -35.830 1.00 63.41 H new ATOM 0 HD11 ILE A 84 27.879 44.126 -35.380 1.00 21.15 H new ATOM 0 HD12 ILE A 84 27.109 44.461 -36.949 1.00 21.15 H new ATOM 0 HD13 ILE A 84 26.560 45.315 -35.488 1.00 21.15 H new ATOM 1242 N VAL A 85 23.756 44.698 -39.542 1.00 45.21 N ATOM 1243 CA VAL A 85 23.816 45.796 -40.488 1.00 41.00 C ATOM 1244 C VAL A 85 22.911 46.942 -40.059 1.00 52.13 C ATOM 1245 O VAL A 85 21.806 46.719 -39.568 1.00 43.50 O ATOM 1246 CB VAL A 85 23.409 45.328 -41.900 1.00 62.43 C ATOM 1247 CG1 VAL A 85 23.602 46.441 -42.915 1.00 1.04 C ATOM 1248 CG2 VAL A 85 24.200 44.091 -42.308 1.00 64.33 C ATOM 0 H VAL A 85 22.993 44.041 -39.706 1.00 45.21 H new ATOM 0 HA VAL A 85 24.847 46.148 -40.509 1.00 41.00 H new ATOM 0 HB VAL A 85 22.351 45.067 -41.876 1.00 62.43 H new ATOM 0 HG11 VAL A 85 23.308 46.087 -43.903 1.00 1.04 H new ATOM 0 HG12 VAL A 85 22.986 47.297 -42.638 1.00 1.04 H new ATOM 0 HG13 VAL A 85 24.650 46.739 -42.933 1.00 1.04 H new ATOM 0 HG21 VAL A 85 23.897 43.778 -43.307 1.00 64.33 H new ATOM 0 HG22 VAL A 85 25.265 44.324 -42.308 1.00 64.33 H new ATOM 0 HG23 VAL A 85 24.005 43.285 -41.601 1.00 64.33 H new ATOM 1258 N ASP A 86 23.390 48.163 -40.228 1.00 31.13 N ATOM 1259 CA ASP A 86 22.581 49.344 -39.962 1.00 20.21 C ATOM 1260 C ASP A 86 22.217 50.019 -41.276 1.00 24.31 C ATOM 1261 O ASP A 86 23.062 50.632 -41.923 1.00 74.51 O ATOM 1262 CB ASP A 86 23.326 50.329 -39.052 1.00 4.42 C ATOM 1263 CG ASP A 86 22.481 51.539 -38.690 1.00 33.31 C ATOM 1264 OD1 ASP A 86 22.777 52.649 -39.172 1.00 21.44 O ATOM 1265 OD2 ASP A 86 21.517 51.384 -37.905 1.00 45.22 O1- ATOM 0 H ASP A 86 24.337 48.364 -40.549 1.00 31.13 H new ATOM 0 HA ASP A 86 21.672 49.033 -39.448 1.00 20.21 H new ATOM 0 HB2 ASP A 86 23.631 49.817 -38.140 1.00 4.42 H new ATOM 0 HB3 ASP A 86 24.237 50.662 -39.550 1.00 4.42 H new ATOM 1270 N ILE A 87 20.969 49.859 -41.692 1.00 70.13 N ATOM 1271 CA ILE A 87 20.492 50.489 -42.913 1.00 11.31 C ATOM 1272 C ILE A 87 20.185 51.954 -42.655 1.00 5.45 C ATOM 1273 O ILE A 87 19.276 52.280 -41.887 1.00 31.44 O ATOM 1274 CB ILE A 87 19.229 49.789 -43.460 1.00 73.15 C ATOM 1275 CG1 ILE A 87 19.517 48.311 -43.736 1.00 41.53 C ATOM 1276 CG2 ILE A 87 18.739 50.480 -44.725 1.00 33.35 C ATOM 1277 CD1 ILE A 87 18.300 47.522 -44.165 1.00 31.30 C ATOM 0 H ILE A 87 20.270 49.300 -41.203 1.00 70.13 H new ATOM 0 HA ILE A 87 21.281 50.400 -43.660 1.00 11.31 H new ATOM 0 HB ILE A 87 18.444 49.856 -42.706 1.00 73.15 H new ATOM 0 HG12 ILE A 87 20.278 48.238 -44.513 1.00 41.53 H new ATOM 0 HG13 ILE A 87 19.934 47.858 -42.837 1.00 41.53 H new ATOM 0 HG21 ILE A 87 17.848 49.972 -45.095 1.00 33.35 H new ATOM 0 HG22 ILE A 87 18.498 51.519 -44.502 1.00 33.35 H new ATOM 0 HG23 ILE A 87 19.520 50.444 -45.485 1.00 33.35 H new ATOM 0 HD11 ILE A 87 18.583 46.484 -44.342 1.00 31.30 H new ATOM 0 HD12 ILE A 87 17.545 47.563 -43.380 1.00 31.30 H new ATOM 0 HD13 ILE A 87 17.894 47.949 -45.082 1.00 31.30 H new ATOM 1289 N ALA A 88 20.956 52.829 -43.275 1.00 34.53 N ATOM 1290 CA ALA A 88 20.772 54.256 -43.101 1.00 21.21 C ATOM 1291 C ALA A 88 20.175 54.888 -44.349 1.00 23.43 C ATOM 1292 O ALA A 88 20.828 54.972 -45.391 1.00 54.14 O ATOM 1293 CB ALA A 88 22.095 54.919 -42.753 1.00 40.44 C ATOM 0 H ALA A 88 21.717 52.574 -43.905 1.00 34.53 H new ATOM 0 HA ALA A 88 20.073 54.410 -42.279 1.00 21.21 H new ATOM 0 HB1 ALA A 88 21.942 55.991 -42.625 1.00 40.44 H new ATOM 0 HB2 ALA A 88 22.482 54.494 -41.827 1.00 40.44 H new ATOM 0 HB3 ALA A 88 22.810 54.748 -43.557 1.00 40.44 H new ATOM 1299 N ASN A 89 18.924 55.305 -44.251 1.00 52.24 N ATOM 1300 CA ASN A 89 18.282 56.033 -45.334 1.00 21.13 C ATOM 1301 C ASN A 89 18.041 57.473 -44.912 1.00 22.12 C ATOM 1302 O ASN A 89 16.959 57.828 -44.445 1.00 62.21 O ATOM 1303 CB ASN A 89 16.959 55.381 -45.753 1.00 44.43 C ATOM 1304 CG ASN A 89 16.265 56.145 -46.874 1.00 51.24 C ATOM 1305 OD1 ASN A 89 15.038 56.215 -46.925 1.00 34.21 O ATOM 1306 ND2 ASN A 89 17.041 56.710 -47.791 1.00 52.10 N ATOM 0 H ASN A 89 18.333 55.153 -43.434 1.00 52.24 H new ATOM 0 HA ASN A 89 18.949 56.008 -46.196 1.00 21.13 H new ATOM 0 HB2 ASN A 89 17.148 54.358 -46.077 1.00 44.43 H new ATOM 0 HB3 ASN A 89 16.295 55.325 -44.890 1.00 44.43 H new ATOM 0 HD21 ASN A 89 16.623 57.221 -48.568 1.00 52.10 H new ATOM 0 HD22 ASN A 89 18.055 56.633 -47.718 1.00 52.10 H new ATOM 1313 N ARG A 90 19.066 58.294 -45.047 1.00 34.23 N ATOM 1314 CA ARG A 90 18.962 59.689 -44.669 1.00 61.53 C ATOM 1315 C ARG A 90 18.863 60.553 -45.916 1.00 14.51 C ATOM 1316 O ARG A 90 19.738 60.503 -46.788 1.00 31.12 O ATOM 1317 CB ARG A 90 20.159 60.096 -43.801 1.00 1.00 C ATOM 1318 CG ARG A 90 19.997 61.454 -43.130 1.00 75.44 C ATOM 1319 CD ARG A 90 20.924 61.600 -41.930 1.00 14.21 C ATOM 1320 NE ARG A 90 22.335 61.594 -42.311 1.00 45.22 N ATOM 1321 CZ ARG A 90 23.267 60.842 -41.721 1.00 45.51 C ATOM 1322 NH1 ARG A 90 22.931 59.999 -40.750 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 24.534 60.930 -42.110 1.00 21.12 N ATOM 0 H ARG A 90 19.977 58.019 -45.415 1.00 34.23 H new ATOM 0 HA ARG A 90 18.058 59.837 -44.078 1.00 61.53 H new ATOM 0 HB2 ARG A 90 20.314 59.338 -43.033 1.00 1.00 H new ATOM 0 HB3 ARG A 90 21.056 60.111 -44.420 1.00 1.00 H new ATOM 0 HG2 ARG A 90 20.207 62.244 -43.851 1.00 75.44 H new ATOM 0 HG3 ARG A 90 18.963 61.581 -42.809 1.00 75.44 H new ATOM 0 HD2 ARG A 90 20.695 62.530 -41.409 1.00 14.21 H new ATOM 0 HD3 ARG A 90 20.737 60.787 -41.229 1.00 14.21 H new ATOM 0 HE ARG A 90 22.626 62.203 -43.076 1.00 45.22 H new ATOM 0 HH11 ARG A 90 21.958 59.925 -40.453 1.00 34.45 H new ATOM 0 HH12 ARG A 90 23.646 59.426 -40.302 1.00 34.45 H new ATOM 0 HH21 ARG A 90 24.794 61.572 -42.859 1.00 21.12 H new ATOM 0 HH22 ARG A 90 25.247 60.356 -41.660 1.00 21.12 H new ATOM 1337 N ASP A 91 17.767 61.302 -46.005 1.00 14.33 N ATOM 1338 CA ASP A 91 17.496 62.197 -47.130 1.00 71.02 C ATOM 1339 C ASP A 91 17.210 61.408 -48.408 1.00 43.52 C ATOM 1340 O ASP A 91 16.052 61.162 -48.744 1.00 61.51 O ATOM 1341 CB ASP A 91 18.649 63.185 -47.346 1.00 34.34 C ATOM 1342 CG ASP A 91 18.418 64.109 -48.527 1.00 2.00 C ATOM 1343 OD1 ASP A 91 17.674 65.101 -48.380 1.00 21.24 O ATOM 1344 OD2 ASP A 91 18.993 63.855 -49.605 1.00 32.31 O1- ATOM 0 H ASP A 91 17.036 61.306 -45.294 1.00 14.33 H new ATOM 0 HA ASP A 91 16.604 62.772 -46.883 1.00 71.02 H new ATOM 0 HB2 ASP A 91 18.783 63.782 -46.444 1.00 34.34 H new ATOM 0 HB3 ASP A 91 19.574 62.629 -47.501 1.00 34.34 H new ATOM 1349 N GLY A 92 18.259 60.992 -49.101 1.00 75.32 N ATOM 1350 CA GLY A 92 18.083 60.270 -50.344 1.00 62.34 C ATOM 1351 C GLY A 92 19.128 59.194 -50.544 1.00 52.21 C ATOM 1352 O GLY A 92 19.260 58.639 -51.635 1.00 23.30 O ATOM 0 H GLY A 92 19.229 61.141 -48.825 1.00 75.32 H new ATOM 0 HA2 GLY A 92 17.092 59.816 -50.359 1.00 62.34 H new ATOM 0 HA3 GLY A 92 18.125 60.972 -51.177 1.00 62.34 H new ATOM 1356 N GLN A 93 19.874 58.893 -49.493 1.00 55.42 N ATOM 1357 CA GLN A 93 20.923 57.888 -49.574 1.00 43.03 C ATOM 1358 C GLN A 93 20.491 56.579 -48.929 1.00 53.23 C ATOM 1359 O GLN A 93 20.032 56.561 -47.786 1.00 62.41 O ATOM 1360 CB GLN A 93 22.208 58.390 -48.905 1.00 32.14 C ATOM 1361 CG GLN A 93 23.012 59.371 -49.745 1.00 62.32 C ATOM 1362 CD GLN A 93 23.948 58.699 -50.746 1.00 5.43 C ATOM 1363 OE1 GLN A 93 25.003 59.240 -51.071 1.00 25.23 O ATOM 1364 NE2 GLN A 93 23.580 57.521 -51.236 1.00 33.20 N ATOM 0 H GLN A 93 19.774 59.329 -48.576 1.00 55.42 H new ATOM 0 HA GLN A 93 21.115 57.706 -50.631 1.00 43.03 H new ATOM 0 HB2 GLN A 93 21.949 58.867 -47.960 1.00 32.14 H new ATOM 0 HB3 GLN A 93 22.838 57.533 -48.667 1.00 32.14 H new ATOM 0 HG2 GLN A 93 22.324 60.022 -50.285 1.00 62.32 H new ATOM 0 HG3 GLN A 93 23.599 60.007 -49.082 1.00 62.32 H new ATOM 0 HE21 GLN A 93 22.698 57.101 -50.945 1.00 33.20 H new ATOM 0 HE22 GLN A 93 24.180 57.037 -51.904 1.00 33.20 H new ATOM 1373 N LEU A 94 20.608 55.495 -49.681 1.00 22.14 N ATOM 1374 CA LEU A 94 20.473 54.157 -49.121 1.00 50.31 C ATOM 1375 C LEU A 94 21.858 53.610 -48.812 1.00 43.43 C ATOM 1376 O LEU A 94 22.561 53.136 -49.704 1.00 52.24 O ATOM 1377 CB LEU A 94 19.731 53.213 -50.079 1.00 41.23 C ATOM 1378 CG LEU A 94 18.200 53.258 -50.007 1.00 41.02 C ATOM 1379 CD1 LEU A 94 17.721 52.932 -48.601 1.00 1.43 C ATOM 1380 CD2 LEU A 94 17.675 54.611 -50.455 1.00 42.11 C ATOM 0 H LEU A 94 20.797 55.515 -50.683 1.00 22.14 H new ATOM 0 HA LEU A 94 19.882 54.220 -48.207 1.00 50.31 H new ATOM 0 HB2 LEU A 94 20.035 53.448 -51.099 1.00 41.23 H new ATOM 0 HB3 LEU A 94 20.056 52.192 -49.877 1.00 41.23 H new ATOM 0 HG LEU A 94 17.806 52.503 -50.687 1.00 41.02 H new ATOM 0 HD11 LEU A 94 16.632 52.969 -48.570 1.00 1.43 H new ATOM 0 HD12 LEU A 94 18.058 51.933 -48.324 1.00 1.43 H new ATOM 0 HD13 LEU A 94 18.129 53.660 -47.900 1.00 1.43 H new ATOM 0 HD21 LEU A 94 16.587 54.617 -50.395 1.00 42.11 H new ATOM 0 HD22 LEU A 94 18.079 55.390 -49.808 1.00 42.11 H new ATOM 0 HD23 LEU A 94 17.982 54.798 -51.484 1.00 42.11 H new ATOM 1392 N GLN A 95 22.260 53.714 -47.558 1.00 22.34 N ATOM 1393 CA GLN A 95 23.599 53.319 -47.155 1.00 52.10 C ATOM 1394 C GLN A 95 23.542 52.090 -46.254 1.00 55.53 C ATOM 1395 O GLN A 95 22.809 52.066 -45.264 1.00 20.22 O ATOM 1396 CB GLN A 95 24.282 54.499 -46.463 1.00 54.30 C ATOM 1397 CG GLN A 95 25.765 54.306 -46.207 1.00 4.25 C ATOM 1398 CD GLN A 95 26.519 55.623 -46.146 1.00 5.40 C ATOM 1399 OE1 GLN A 95 27.452 55.785 -45.362 1.00 14.41 O ATOM 1400 NE2 GLN A 95 26.162 56.557 -47.018 1.00 5.31 N ATOM 0 H GLN A 95 21.678 54.069 -46.800 1.00 22.34 H new ATOM 0 HA GLN A 95 24.186 53.047 -48.032 1.00 52.10 H new ATOM 0 HB2 GLN A 95 24.145 55.391 -47.074 1.00 54.30 H new ATOM 0 HB3 GLN A 95 23.783 54.684 -45.512 1.00 54.30 H new ATOM 0 HG2 GLN A 95 25.902 53.768 -45.269 1.00 4.25 H new ATOM 0 HG3 GLN A 95 26.189 53.684 -46.995 1.00 4.25 H new ATOM 0 HE21 GLN A 95 25.383 56.389 -47.654 1.00 5.31 H new ATOM 0 HE22 GLN A 95 26.667 57.443 -47.052 1.00 5.31 H new ATOM 1409 N LEU A 96 24.292 51.061 -46.622 1.00 75.11 N ATOM 1410 CA LEU A 96 24.283 49.802 -45.896 1.00 53.33 C ATOM 1411 C LEU A 96 25.539 49.680 -45.037 1.00 12.32 C ATOM 1412 O LEU A 96 26.623 49.368 -45.537 1.00 51.50 O ATOM 1413 CB LEU A 96 24.210 48.636 -46.888 1.00 11.23 C ATOM 1414 CG LEU A 96 23.718 47.311 -46.313 1.00 54.15 C ATOM 1415 CD1 LEU A 96 22.243 47.408 -45.956 1.00 12.31 C ATOM 1416 CD2 LEU A 96 23.960 46.180 -47.301 1.00 11.35 C ATOM 0 H LEU A 96 24.919 51.076 -47.426 1.00 75.11 H new ATOM 0 HA LEU A 96 23.410 49.773 -45.244 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.553 48.922 -47.709 1.00 11.23 H new ATOM 0 HB3 LEU A 96 25.202 48.481 -47.313 1.00 11.23 H new ATOM 0 HG LEU A 96 24.279 47.094 -45.404 1.00 54.15 H new ATOM 0 HD11 LEU A 96 21.904 46.456 -45.547 1.00 12.31 H new ATOM 0 HD12 LEU A 96 22.099 48.194 -45.214 1.00 12.31 H new ATOM 0 HD13 LEU A 96 21.667 47.644 -46.851 1.00 12.31 H new ATOM 0 HD21 LEU A 96 23.603 45.242 -46.875 1.00 11.35 H new ATOM 0 HD22 LEU A 96 23.423 46.385 -48.227 1.00 11.35 H new ATOM 0 HD23 LEU A 96 25.027 46.101 -47.510 1.00 11.35 H new ATOM 1428 N ASN A 97 25.394 49.950 -43.748 1.00 24.34 N ATOM 1429 CA ASN A 97 26.526 49.913 -42.829 1.00 24.31 C ATOM 1430 C ASN A 97 26.711 48.517 -42.244 1.00 43.41 C ATOM 1431 O ASN A 97 26.029 48.134 -41.291 1.00 33.42 O ATOM 1432 CB ASN A 97 26.343 50.940 -41.705 1.00 32.34 C ATOM 1433 CG ASN A 97 26.425 52.378 -42.198 1.00 4.11 C ATOM 1434 OD1 ASN A 97 26.119 52.680 -43.352 1.00 11.22 O ATOM 1435 ND2 ASN A 97 26.838 53.277 -41.319 1.00 2.51 N ATOM 0 H ASN A 97 24.505 50.197 -43.313 1.00 24.34 H new ATOM 0 HA ASN A 97 27.423 50.168 -43.393 1.00 24.31 H new ATOM 0 HB2 ASN A 97 25.377 50.780 -41.227 1.00 32.34 H new ATOM 0 HB3 ASN A 97 27.106 50.778 -40.944 1.00 32.34 H new ATOM 0 HD21 ASN A 97 26.911 54.258 -41.589 1.00 2.51 H new ATOM 0 HD22 ASN A 97 27.083 52.989 -40.372 1.00 2.51 H new ATOM 1442 N VAL A 98 27.628 47.759 -42.833 1.00 45.14 N ATOM 1443 CA VAL A 98 27.907 46.400 -42.387 1.00 72.02 C ATOM 1444 C VAL A 98 29.002 46.391 -41.331 1.00 15.31 C ATOM 1445 O VAL A 98 30.148 46.757 -41.599 1.00 42.35 O ATOM 1446 CB VAL A 98 28.312 45.477 -43.563 1.00 44.14 C ATOM 1447 CG1 VAL A 98 28.923 44.177 -43.055 1.00 50.42 C ATOM 1448 CG2 VAL A 98 27.101 45.187 -44.436 1.00 24.02 C ATOM 0 H VAL A 98 28.194 48.065 -43.625 1.00 45.14 H new ATOM 0 HA VAL A 98 26.985 46.014 -41.953 1.00 72.02 H new ATOM 0 HB VAL A 98 29.066 45.991 -44.159 1.00 44.14 H new ATOM 0 HG11 VAL A 98 29.198 43.549 -43.902 1.00 50.42 H new ATOM 0 HG12 VAL A 98 29.812 44.399 -42.465 1.00 50.42 H new ATOM 0 HG13 VAL A 98 28.197 43.652 -42.434 1.00 50.42 H new ATOM 0 HG21 VAL A 98 27.394 44.537 -45.261 1.00 24.02 H new ATOM 0 HG22 VAL A 98 26.333 44.693 -43.841 1.00 24.02 H new ATOM 0 HG23 VAL A 98 26.707 46.122 -44.833 1.00 24.02 H new ATOM 1458 N THR A 99 28.635 45.984 -40.130 1.00 13.53 N ATOM 1459 CA THR A 99 29.593 45.835 -39.054 1.00 63.52 C ATOM 1460 C THR A 99 29.893 44.358 -38.825 1.00 34.14 C ATOM 1461 O THR A 99 29.006 43.586 -38.453 1.00 52.04 O ATOM 1462 CB THR A 99 29.064 46.469 -37.753 1.00 15.12 C ATOM 1463 OG1 THR A 99 28.710 47.838 -37.990 1.00 32.14 O ATOM 1464 CG2 THR A 99 30.103 46.400 -36.639 1.00 64.32 C ATOM 0 H THR A 99 27.675 45.750 -39.876 1.00 13.53 H new ATOM 0 HA THR A 99 30.510 46.351 -39.340 1.00 63.52 H new ATOM 0 HB THR A 99 28.185 45.906 -37.438 1.00 15.12 H new ATOM 0 HG1 THR A 99 28.373 48.237 -37.161 1.00 32.14 H new ATOM 0 HG21 THR A 99 29.698 46.856 -35.735 1.00 64.32 H new ATOM 0 HG22 THR A 99 30.354 45.358 -36.439 1.00 64.32 H new ATOM 0 HG23 THR A 99 31.001 46.937 -36.945 1.00 64.32 H new ATOM 1472 N ASP A 100 31.136 43.970 -39.085 1.00 61.11 N ATOM 1473 CA ASP A 100 31.576 42.587 -38.905 1.00 23.41 C ATOM 1474 C ASP A 100 31.429 42.148 -37.449 1.00 63.40 C ATOM 1475 O ASP A 100 31.686 42.923 -36.531 1.00 62.23 O ATOM 1476 CB ASP A 100 33.030 42.429 -39.359 1.00 14.41 C ATOM 1477 CG ASP A 100 33.567 41.035 -39.123 1.00 53.52 C ATOM 1478 OD1 ASP A 100 32.967 40.061 -39.618 1.00 4.12 O ATOM 1479 OD2 ASP A 100 34.596 40.908 -38.440 1.00 11.31 O1- ATOM 0 H ASP A 100 31.864 44.598 -39.424 1.00 61.11 H new ATOM 0 HA ASP A 100 30.941 41.948 -39.519 1.00 23.41 H new ATOM 0 HB2 ASP A 100 33.103 42.667 -40.420 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.653 43.149 -38.827 1.00 14.41 H new ATOM 1484 N ARG A 101 31.030 40.901 -37.253 1.00 1.22 N ATOM 1485 CA ARG A 101 30.728 40.383 -35.922 1.00 70.42 C ATOM 1486 C ARG A 101 31.974 39.808 -35.253 1.00 41.44 C ATOM 1487 O ARG A 101 31.970 39.515 -34.056 1.00 3.54 O ATOM 1488 CB ARG A 101 29.667 39.289 -36.039 1.00 70.04 C ATOM 1489 CG ARG A 101 28.862 39.057 -34.777 1.00 12.41 C ATOM 1490 CD ARG A 101 28.046 40.285 -34.418 1.00 13.24 C ATOM 1491 NE ARG A 101 26.962 39.970 -33.492 1.00 14.53 N ATOM 1492 CZ ARG A 101 26.504 40.810 -32.567 1.00 32.32 C ATOM 1493 NH1 ARG A 101 27.077 41.995 -32.393 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 25.480 40.458 -31.803 1.00 52.25 N ATOM 0 H ARG A 101 30.906 40.222 -38.004 1.00 1.22 H new ATOM 0 HA ARG A 101 30.361 41.206 -35.308 1.00 70.42 H new ATOM 0 HB2 ARG A 101 28.984 39.548 -36.848 1.00 70.04 H new ATOM 0 HB3 ARG A 101 30.155 38.356 -36.320 1.00 70.04 H new ATOM 0 HG2 ARG A 101 28.199 38.203 -34.917 1.00 12.41 H new ATOM 0 HG3 ARG A 101 29.533 38.808 -33.954 1.00 12.41 H new ATOM 0 HD2 ARG A 101 28.698 41.036 -33.971 1.00 13.24 H new ATOM 0 HD3 ARG A 101 27.631 40.723 -35.326 1.00 13.24 H new ATOM 0 HE ARG A 101 26.529 39.049 -33.558 1.00 14.53 H new ATOM 0 HH11 ARG A 101 27.873 42.266 -32.970 1.00 20.33 H new ATOM 0 HH12 ARG A 101 26.721 42.634 -31.682 1.00 20.33 H new ATOM 0 HH21 ARG A 101 25.044 39.544 -31.924 1.00 52.25 H new ATOM 0 HH22 ARG A 101 25.128 41.101 -31.094 1.00 52.25 H new ATOM 1508 N LYS A 102 33.042 39.655 -36.021 1.00 25.22 N ATOM 1509 CA LYS A 102 34.223 38.946 -35.544 1.00 51.24 C ATOM 1510 C LYS A 102 35.380 39.904 -35.264 1.00 24.03 C ATOM 1511 O LYS A 102 35.772 40.098 -34.113 1.00 61.52 O ATOM 1512 CB LYS A 102 34.624 37.890 -36.574 1.00 63.24 C ATOM 1513 CG LYS A 102 33.523 36.869 -36.827 1.00 64.00 C ATOM 1514 CD LYS A 102 33.846 35.957 -37.999 1.00 42.35 C ATOM 1515 CE LYS A 102 33.897 36.717 -39.316 1.00 32.33 C ATOM 1516 NZ LYS A 102 32.618 37.415 -39.623 1.00 73.14 N1+ ATOM 0 H LYS A 102 33.117 40.010 -36.974 1.00 25.22 H new ATOM 0 HA LYS A 102 33.981 38.458 -34.600 1.00 51.24 H new ATOM 0 HB2 LYS A 102 34.880 38.382 -37.512 1.00 63.24 H new ATOM 0 HB3 LYS A 102 35.520 37.374 -36.230 1.00 63.24 H new ATOM 0 HG2 LYS A 102 33.375 36.267 -35.930 1.00 64.00 H new ATOM 0 HG3 LYS A 102 32.585 37.389 -37.021 1.00 64.00 H new ATOM 0 HD2 LYS A 102 34.805 35.469 -37.825 1.00 42.35 H new ATOM 0 HD3 LYS A 102 33.095 35.170 -38.064 1.00 42.35 H new ATOM 0 HE2 LYS A 102 34.706 37.447 -39.279 1.00 32.33 H new ATOM 0 HE3 LYS A 102 34.131 36.023 -40.123 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 32.493 37.473 -40.654 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 31.825 36.886 -39.207 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 32.641 38.374 -39.222 1.00 73.14 H new ATOM 1530 N THR A 103 35.918 40.504 -36.312 1.00 32.11 N ATOM 1531 CA THR A 103 37.007 41.457 -36.177 1.00 65.25 C ATOM 1532 C THR A 103 36.451 42.847 -35.897 1.00 51.12 C ATOM 1533 O THR A 103 37.057 43.646 -35.181 1.00 72.12 O ATOM 1534 CB THR A 103 37.887 41.495 -37.443 1.00 3.51 C ATOM 1535 OG1 THR A 103 37.086 41.767 -38.605 1.00 71.14 O ATOM 1536 CG2 THR A 103 38.622 40.178 -37.632 1.00 15.44 C ATOM 0 H THR A 103 35.616 40.346 -37.273 1.00 32.11 H new ATOM 0 HA THR A 103 37.629 41.135 -35.342 1.00 65.25 H new ATOM 0 HB THR A 103 38.619 42.292 -37.316 1.00 3.51 H new ATOM 0 HG1 THR A 103 36.137 41.704 -38.370 1.00 71.14 H new ATOM 0 HG21 THR A 103 39.236 40.230 -38.531 1.00 15.44 H new ATOM 0 HG22 THR A 103 39.259 39.990 -36.768 1.00 15.44 H new ATOM 0 HG23 THR A 103 37.899 39.369 -37.732 1.00 15.44 H new ATOM 1544 N GLY A 104 35.285 43.116 -36.468 1.00 65.24 N ATOM 1545 CA GLY A 104 34.618 44.378 -36.241 1.00 42.41 C ATOM 1546 C GLY A 104 34.830 45.360 -37.371 1.00 24.42 C ATOM 1547 O GLY A 104 34.737 46.570 -37.171 1.00 13.23 O ATOM 0 H GLY A 104 34.788 42.477 -37.088 1.00 65.24 H new ATOM 0 HA2 GLY A 104 33.550 44.202 -36.113 1.00 42.41 H new ATOM 0 HA3 GLY A 104 34.983 44.815 -35.312 1.00 42.41 H new ATOM 1551 N GLN A 105 35.133 44.843 -38.555 1.00 51.35 N ATOM 1552 CA GLN A 105 35.270 45.676 -39.744 1.00 72.04 C ATOM 1553 C GLN A 105 33.975 46.421 -40.032 1.00 12.40 C ATOM 1554 O GLN A 105 32.897 45.823 -40.060 1.00 64.30 O ATOM 1555 CB GLN A 105 35.637 44.827 -40.962 1.00 71.44 C ATOM 1556 CG GLN A 105 37.017 44.199 -40.891 1.00 11.23 C ATOM 1557 CD GLN A 105 37.340 43.385 -42.128 1.00 44.43 C ATOM 1558 OE1 GLN A 105 36.453 42.801 -42.754 1.00 42.45 O ATOM 1559 NE2 GLN A 105 38.606 43.365 -42.505 1.00 23.32 N ATOM 0 H GLN A 105 35.289 43.848 -38.718 1.00 51.35 H new ATOM 0 HA GLN A 105 36.066 46.395 -39.552 1.00 72.04 H new ATOM 0 HB2 GLN A 105 34.896 44.036 -41.076 1.00 71.44 H new ATOM 0 HB3 GLN A 105 35.579 45.449 -41.855 1.00 71.44 H new ATOM 0 HG2 GLN A 105 37.765 44.982 -40.768 1.00 11.23 H new ATOM 0 HG3 GLN A 105 37.078 43.559 -40.011 1.00 11.23 H new ATOM 0 HE21 GLN A 105 39.309 43.862 -41.958 1.00 23.32 H new ATOM 0 HE22 GLN A 105 38.881 42.853 -43.343 1.00 23.32 H new ATOM 1568 N THR A 106 34.080 47.715 -40.249 1.00 25.35 N ATOM 1569 CA THR A 106 32.925 48.513 -40.598 1.00 43.25 C ATOM 1570 C THR A 106 32.923 48.820 -42.090 1.00 44.11 C ATOM 1571 O THR A 106 33.467 49.831 -42.533 1.00 33.22 O ATOM 1572 CB THR A 106 32.868 49.821 -39.786 1.00 61.32 C ATOM 1573 OG1 THR A 106 34.194 50.326 -39.557 1.00 1.35 O ATOM 1574 CG2 THR A 106 32.155 49.605 -38.460 1.00 5.13 C ATOM 0 H THR A 106 34.955 48.237 -40.190 1.00 25.35 H new ATOM 0 HA THR A 106 32.037 47.930 -40.351 1.00 43.25 H new ATOM 0 HB THR A 106 32.305 50.554 -40.364 1.00 61.32 H new ATOM 0 HG1 THR A 106 34.143 51.158 -39.042 1.00 1.35 H new ATOM 0 HG21 THR A 106 32.127 50.543 -37.905 1.00 5.13 H new ATOM 0 HG22 THR A 106 31.137 49.263 -38.646 1.00 5.13 H new ATOM 0 HG23 THR A 106 32.689 48.854 -37.878 1.00 5.13 H new ATOM 1582 N SER A 107 32.326 47.926 -42.860 1.00 30.10 N ATOM 1583 CA SER A 107 32.280 48.068 -44.304 1.00 71.15 C ATOM 1584 C SER A 107 31.015 48.820 -44.701 1.00 42.21 C ATOM 1585 O SER A 107 29.907 48.285 -44.626 1.00 53.14 O ATOM 1586 CB SER A 107 32.329 46.690 -44.972 1.00 62.32 C ATOM 1587 OG SER A 107 32.571 46.795 -46.367 1.00 35.01 O ATOM 0 H SER A 107 31.864 47.089 -42.505 1.00 30.10 H new ATOM 0 HA SER A 107 33.146 48.637 -44.641 1.00 71.15 H new ATOM 0 HB2 SER A 107 33.112 46.089 -44.510 1.00 62.32 H new ATOM 0 HB3 SER A 107 31.386 46.169 -44.804 1.00 62.32 H new ATOM 0 HG SER A 107 32.598 45.899 -46.763 1.00 35.01 H new ATOM 1593 N THR A 108 31.182 50.072 -45.080 1.00 61.34 N ATOM 1594 CA THR A 108 30.055 50.905 -45.448 1.00 45.01 C ATOM 1595 C THR A 108 29.788 50.806 -46.946 1.00 51.14 C ATOM 1596 O THR A 108 30.561 51.318 -47.758 1.00 24.12 O ATOM 1597 CB THR A 108 30.316 52.369 -45.052 1.00 51.54 C ATOM 1598 OG1 THR A 108 30.885 52.418 -43.735 1.00 42.23 O ATOM 1599 CG2 THR A 108 29.028 53.172 -45.079 1.00 12.31 C ATOM 0 H THR A 108 32.089 50.535 -45.141 1.00 61.34 H new ATOM 0 HA THR A 108 29.175 50.550 -44.911 1.00 45.01 H new ATOM 0 HB THR A 108 31.011 52.803 -45.770 1.00 51.54 H new ATOM 0 HG1 THR A 108 31.052 53.351 -43.485 1.00 42.23 H new ATOM 0 HG21 THR A 108 29.236 54.204 -44.796 1.00 12.31 H new ATOM 0 HG22 THR A 108 28.606 53.150 -46.084 1.00 12.31 H new ATOM 0 HG23 THR A 108 28.315 52.740 -44.377 1.00 12.31 H new ATOM 1607 N ILE A 109 28.706 50.131 -47.309 1.00 13.34 N ATOM 1608 CA ILE A 109 28.393 49.882 -48.705 1.00 55.11 C ATOM 1609 C ILE A 109 27.176 50.691 -49.142 1.00 14.15 C ATOM 1610 O ILE A 109 26.077 50.505 -48.623 1.00 1.14 O ATOM 1611 CB ILE A 109 28.127 48.381 -48.957 1.00 61.20 C ATOM 1612 CG1 ILE A 109 29.304 47.541 -48.454 1.00 73.01 C ATOM 1613 CG2 ILE A 109 27.886 48.126 -50.439 1.00 4.42 C ATOM 1614 CD1 ILE A 109 29.069 46.050 -48.542 1.00 12.41 C ATOM 0 H ILE A 109 28.029 49.745 -46.651 1.00 13.34 H new ATOM 0 HA ILE A 109 29.258 50.191 -49.292 1.00 55.11 H new ATOM 0 HB ILE A 109 27.232 48.089 -48.407 1.00 61.20 H new ATOM 0 HG12 ILE A 109 30.193 47.794 -49.032 1.00 73.01 H new ATOM 0 HG13 ILE A 109 29.511 47.806 -47.417 1.00 73.01 H new ATOM 0 HG21 ILE A 109 27.700 47.064 -50.600 1.00 4.42 H new ATOM 0 HG22 ILE A 109 27.021 48.700 -50.771 1.00 4.42 H new ATOM 0 HG23 ILE A 109 28.764 48.431 -51.008 1.00 4.42 H new ATOM 0 HD11 ILE A 109 29.946 45.521 -48.168 1.00 12.41 H new ATOM 0 HD12 ILE A 109 28.200 45.783 -47.941 1.00 12.41 H new ATOM 0 HD13 ILE A 109 28.892 45.770 -49.580 1.00 12.41 H new ATOM 1626 N GLN A 110 27.382 51.606 -50.074 1.00 42.43 N ATOM 1627 CA GLN A 110 26.292 52.382 -50.643 1.00 3.53 C ATOM 1628 C GLN A 110 25.421 51.524 -51.554 1.00 10.22 C ATOM 1629 O GLN A 110 25.781 50.396 -51.899 1.00 61.10 O ATOM 1630 CB GLN A 110 26.844 53.576 -51.419 1.00 51.25 C ATOM 1631 CG GLN A 110 27.211 54.753 -50.533 1.00 2.41 C ATOM 1632 CD GLN A 110 28.020 55.805 -51.265 1.00 4.14 C ATOM 1633 OE1 GLN A 110 27.464 56.711 -51.887 1.00 23.33 O ATOM 1634 NE2 GLN A 110 29.336 55.701 -51.185 1.00 32.10 N ATOM 0 H GLN A 110 28.301 51.831 -50.455 1.00 42.43 H new ATOM 0 HA GLN A 110 25.672 52.743 -49.823 1.00 3.53 H new ATOM 0 HB2 GLN A 110 27.726 53.261 -51.976 1.00 51.25 H new ATOM 0 HB3 GLN A 110 26.103 53.898 -52.151 1.00 51.25 H new ATOM 0 HG2 GLN A 110 26.300 55.207 -50.143 1.00 2.41 H new ATOM 0 HG3 GLN A 110 27.780 54.394 -49.676 1.00 2.41 H new ATOM 0 HE21 GLN A 110 29.756 54.935 -50.659 1.00 32.10 H new ATOM 0 HE22 GLN A 110 29.931 56.387 -51.649 1.00 32.10 H new ATOM 1643 N VAL A 111 24.271 52.065 -51.927 1.00 22.34 N ATOM 1644 CA VAL A 111 23.330 51.365 -52.781 1.00 74.24 C ATOM 1645 C VAL A 111 23.871 51.224 -54.207 1.00 21.00 C ATOM 1646 O VAL A 111 24.016 52.206 -54.941 1.00 75.11 O ATOM 1647 CB VAL A 111 21.957 52.078 -52.789 1.00 73.33 C ATOM 1648 CG1 VAL A 111 22.099 53.556 -53.126 1.00 13.23 C ATOM 1649 CG2 VAL A 111 21.010 51.401 -53.758 1.00 44.35 C ATOM 0 H VAL A 111 23.967 52.997 -51.647 1.00 22.34 H new ATOM 0 HA VAL A 111 23.195 50.364 -52.372 1.00 74.24 H new ATOM 0 HB VAL A 111 21.540 52.004 -51.785 1.00 73.33 H new ATOM 0 HG11 VAL A 111 21.116 54.026 -53.123 1.00 13.23 H new ATOM 0 HG12 VAL A 111 22.734 54.039 -52.384 1.00 13.23 H new ATOM 0 HG13 VAL A 111 22.549 53.663 -54.113 1.00 13.23 H new ATOM 0 HG21 VAL A 111 20.050 51.917 -53.749 1.00 44.35 H new ATOM 0 HG22 VAL A 111 21.431 51.436 -54.763 1.00 44.35 H new ATOM 0 HG23 VAL A 111 20.866 50.362 -53.461 1.00 44.35 H new