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 103 THR OG1 : rot -4:sc= 1.92 USER MOD Set 1.2: A 105 GLN : amide:sc= 1.04 K(o=3,f=0.98) USER MOD Set 2.1: A 97 ASN : amide:sc= 0.641 K(o=1.4,f=-0.66) USER MOD Set 2.2: A 108 THR OG1 : rot -38:sc= 0.714 USER MOD Set 3.1: A 83 TYR OH : rot 150:sc= 0.0609 USER MOD Set 3.2: A 102 LYS NZ :NH3+ 141:sc= 0.0551 (180deg=0) USER MOD Set 4.1: A 78 MET CE :methyl -111:sc= -0.334 (180deg=-0.66) USER MOD Set 4.2: A 80 THR OG1 : rot 81:sc= 0.0299 USER MOD Set 5.1: A 55 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 59 GLN : amide:sc= 0 X(o=0,f=-0.29) 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= -0.0397 X(o=-0.04,f=0) USER MOD Single : A 56 GLN : amide:sc= -0.27 X(o=-0.27,f=-0.63) USER MOD Single : A 60 SER OG : rot 70:sc= 0.161 USER MOD Single : A 61 GLN : amide:sc= -0.998 K(o=-1,f=-0.024) USER MOD Single : A 68 SER OG : rot 75:sc= 0.18 USER MOD Single : A 69 ASN : amide:sc=-0.00596 K(o=-0.006,f=-1.3) USER MOD Single : A 81 ASN : amide:sc= -0.374 K(o=-0.37,f=-1.8!) USER MOD Single : A 89 ASN : amide:sc= -2.34 K(o=-2.3,f=-0.22) USER MOD Single : A 93 GLN : amide:sc= -2.77! K(o=-2.8!,f=-0.0075) USER MOD Single : A 95 GLN : amide:sc= -1.15 X(o=-1.2,f=-0.83) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 44:sc= 0.0305 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc=-0.00987 K(o=-0.0099,f=-1) USER MOD ----------------------------------------------------------------- ATOM 659 N GLU A 46 3.455 66.956 -13.804 1.00 65.21 N ATOM 660 CA GLU A 46 3.857 68.334 -13.486 1.00 41.54 C ATOM 661 C GLU A 46 5.345 68.468 -13.136 1.00 5.12 C ATOM 662 O GLU A 46 5.968 69.478 -13.461 1.00 43.23 O ATOM 663 CB GLU A 46 2.982 68.921 -12.372 1.00 55.55 C ATOM 664 CG GLU A 46 1.540 69.174 -12.803 1.00 14.53 C ATOM 665 CD GLU A 46 1.412 70.300 -13.817 1.00 0.14 C ATOM 666 OE1 GLU A 46 2.269 70.406 -14.720 1.00 65.32 O ATOM 667 OE2 GLU A 46 0.446 71.085 -13.724 1.00 5.55 O1- ATOM 0 HA GLU A 46 3.702 68.911 -14.398 1.00 41.54 H new ATOM 0 HB2 GLU A 46 2.985 68.240 -11.521 1.00 55.55 H new ATOM 0 HB3 GLU A 46 3.421 69.859 -12.031 1.00 55.55 H new ATOM 0 HG2 GLU A 46 1.128 68.259 -13.230 1.00 14.53 H new ATOM 0 HG3 GLU A 46 0.941 69.414 -11.925 1.00 14.53 H new ATOM 674 N THR A 47 5.918 67.463 -12.490 1.00 53.34 N ATOM 675 CA THR A 47 7.327 67.505 -12.122 1.00 11.21 C ATOM 676 C THR A 47 8.077 66.275 -12.664 1.00 2.33 C ATOM 677 O THR A 47 8.201 65.246 -12.001 1.00 31.14 O ATOM 678 CB THR A 47 7.501 67.660 -10.585 1.00 14.13 C ATOM 679 OG1 THR A 47 8.887 67.695 -10.222 1.00 60.32 O ATOM 680 CG2 THR A 47 6.791 66.548 -9.819 1.00 31.14 C ATOM 0 H THR A 47 5.432 66.611 -12.210 1.00 53.34 H new ATOM 0 HA THR A 47 7.772 68.385 -12.586 1.00 11.21 H new ATOM 0 HB THR A 47 7.041 68.609 -10.310 1.00 14.13 H new ATOM 0 HG1 THR A 47 8.968 67.795 -9.250 1.00 60.32 H new ATOM 0 HG21 THR A 47 6.937 66.693 -8.749 1.00 31.14 H new ATOM 0 HG22 THR A 47 5.725 66.573 -10.046 1.00 31.14 H new ATOM 0 HG23 THR A 47 7.203 65.583 -10.114 1.00 31.14 H new ATOM 688 N PRO A 48 8.546 66.359 -13.922 1.00 63.35 N ATOM 689 CA PRO A 48 9.275 65.270 -14.574 1.00 21.13 C ATOM 690 C PRO A 48 10.671 65.090 -13.991 1.00 23.22 C ATOM 691 O PRO A 48 11.505 65.991 -14.074 1.00 30.10 O ATOM 692 CB PRO A 48 9.363 65.709 -16.048 1.00 72.10 C ATOM 693 CG PRO A 48 8.448 66.884 -16.174 1.00 2.42 C ATOM 694 CD PRO A 48 8.402 67.517 -14.814 1.00 3.12 C ATOM 0 HA PRO A 48 8.775 64.311 -14.438 1.00 21.13 H new ATOM 0 HB2 PRO A 48 10.385 65.978 -16.316 1.00 72.10 H new ATOM 0 HB3 PRO A 48 9.059 64.903 -16.716 1.00 72.10 H new ATOM 0 HG2 PRO A 48 8.817 67.588 -16.920 1.00 2.42 H new ATOM 0 HG3 PRO A 48 7.454 66.572 -16.494 1.00 2.42 H new ATOM 0 HD2 PRO A 48 9.206 68.239 -14.675 1.00 3.12 H new ATOM 0 HD3 PRO A 48 7.465 68.047 -14.644 1.00 3.12 H new ATOM 702 N SER A 49 10.920 63.935 -13.392 1.00 1.52 N ATOM 703 CA SER A 49 12.219 63.660 -12.797 1.00 71.45 C ATOM 704 C SER A 49 13.088 62.823 -13.740 1.00 5.40 C ATOM 705 O SER A 49 14.065 63.323 -14.301 1.00 55.33 O ATOM 706 CB SER A 49 12.042 62.945 -11.456 1.00 4.01 C ATOM 707 OG SER A 49 11.123 63.638 -10.626 1.00 52.25 O ATOM 0 H SER A 49 10.243 63.177 -13.305 1.00 1.52 H new ATOM 0 HA SER A 49 12.727 64.609 -12.626 1.00 71.45 H new ATOM 0 HB2 SER A 49 11.688 61.928 -11.626 1.00 4.01 H new ATOM 0 HB3 SER A 49 13.005 62.867 -10.952 1.00 4.01 H new ATOM 0 HG SER A 49 11.026 63.160 -9.776 1.00 52.25 H new ATOM 713 N ALA A 50 12.723 61.560 -13.934 1.00 4.34 N ATOM 714 CA ALA A 50 13.524 60.657 -14.754 1.00 71.23 C ATOM 715 C ALA A 50 13.195 60.816 -16.233 1.00 52.43 C ATOM 716 O ALA A 50 14.088 60.821 -17.083 1.00 63.35 O ATOM 717 CB ALA A 50 13.313 59.218 -14.310 1.00 52.42 C ATOM 0 H ALA A 50 11.883 61.140 -13.537 1.00 4.34 H new ATOM 0 HA ALA A 50 14.574 60.916 -14.618 1.00 71.23 H new ATOM 0 HB1 ALA A 50 13.916 58.554 -14.929 1.00 52.42 H new ATOM 0 HB2 ALA A 50 13.611 59.112 -13.267 1.00 52.42 H new ATOM 0 HB3 ALA A 50 12.260 58.956 -14.415 1.00 52.42 H new ATOM 723 N LEU A 51 11.910 60.972 -16.533 1.00 14.24 N ATOM 724 CA LEU A 51 11.457 61.111 -17.916 1.00 65.24 C ATOM 725 C LEU A 51 11.894 62.451 -18.500 1.00 54.11 C ATOM 726 O LEU A 51 11.884 62.633 -19.717 1.00 73.42 O ATOM 727 CB LEU A 51 9.932 60.988 -18.028 1.00 34.13 C ATOM 728 CG LEU A 51 9.128 62.146 -17.426 1.00 14.14 C ATOM 729 CD1 LEU A 51 7.767 62.244 -18.087 1.00 42.24 C ATOM 730 CD2 LEU A 51 8.963 61.975 -15.925 1.00 32.32 C ATOM 0 H LEU A 51 11.163 61.006 -15.839 1.00 14.24 H new ATOM 0 HA LEU A 51 11.916 60.300 -18.481 1.00 65.24 H new ATOM 0 HB2 LEU A 51 9.669 60.896 -19.082 1.00 34.13 H new ATOM 0 HB3 LEU A 51 9.623 60.063 -17.541 1.00 34.13 H new ATOM 0 HG LEU A 51 9.681 63.068 -17.608 1.00 14.14 H new ATOM 0 HD11 LEU A 51 7.208 63.071 -17.649 1.00 42.24 H new ATOM 0 HD12 LEU A 51 7.893 62.417 -19.156 1.00 42.24 H new ATOM 0 HD13 LEU A 51 7.220 61.314 -17.933 1.00 42.24 H new ATOM 0 HD21 LEU A 51 8.389 62.811 -15.525 1.00 32.32 H new ATOM 0 HD22 LEU A 51 8.437 61.042 -15.721 1.00 32.32 H new ATOM 0 HD23 LEU A 51 9.945 61.949 -15.452 1.00 32.32 H new ATOM 742 N ASP A 52 12.270 63.378 -17.622 1.00 2.23 N ATOM 743 CA ASP A 52 12.684 64.721 -18.031 1.00 12.25 C ATOM 744 C ASP A 52 13.851 64.653 -19.004 1.00 34.31 C ATOM 745 O ASP A 52 13.811 65.253 -20.074 1.00 33.15 O ATOM 746 CB ASP A 52 13.076 65.550 -16.806 1.00 5.20 C ATOM 747 CG ASP A 52 13.561 66.943 -17.166 1.00 62.52 C ATOM 748 OD1 ASP A 52 14.791 67.151 -17.251 1.00 12.41 O ATOM 749 OD2 ASP A 52 12.714 67.842 -17.342 1.00 63.02 O1- ATOM 0 H ASP A 52 12.297 63.223 -16.614 1.00 2.23 H new ATOM 0 HA ASP A 52 11.842 65.199 -18.532 1.00 12.25 H new ATOM 0 HB2 ASP A 52 12.218 65.631 -16.138 1.00 5.20 H new ATOM 0 HB3 ASP A 52 13.860 65.029 -16.256 1.00 5.20 H new ATOM 754 N ASN A 53 14.874 63.897 -18.635 1.00 61.25 N ATOM 755 CA ASN A 53 16.045 63.720 -19.485 1.00 42.12 C ATOM 756 C ASN A 53 15.656 63.092 -20.821 1.00 63.01 C ATOM 757 O ASN A 53 16.116 63.525 -21.879 1.00 23.25 O ATOM 758 CB ASN A 53 17.084 62.853 -18.764 1.00 44.53 C ATOM 759 CG ASN A 53 18.252 62.464 -19.650 1.00 73.01 C ATOM 760 OD1 ASN A 53 19.226 63.207 -19.778 1.00 72.42 O ATOM 761 ND2 ASN A 53 18.173 61.282 -20.244 1.00 31.23 N ATOM 0 H ASN A 53 14.918 63.394 -17.749 1.00 61.25 H new ATOM 0 HA ASN A 53 16.480 64.698 -19.689 1.00 42.12 H new ATOM 0 HB2 ASN A 53 17.459 63.393 -17.895 1.00 44.53 H new ATOM 0 HB3 ASN A 53 16.600 61.949 -18.393 1.00 44.53 H new ATOM 0 HD21 ASN A 53 18.938 60.956 -20.835 1.00 31.23 H new ATOM 0 HD22 ASN A 53 17.347 60.698 -20.111 1.00 31.23 H new ATOM 768 N PHE A 54 14.793 62.086 -20.763 1.00 22.14 N ATOM 769 CA PHE A 54 14.343 61.384 -21.959 1.00 43.23 C ATOM 770 C PHE A 54 13.633 62.334 -22.922 1.00 0.30 C ATOM 771 O PHE A 54 13.999 62.429 -24.093 1.00 51.31 O ATOM 772 CB PHE A 54 13.411 60.233 -21.569 1.00 64.13 C ATOM 773 CG PHE A 54 12.846 59.482 -22.743 1.00 32.43 C ATOM 774 CD1 PHE A 54 11.502 59.594 -23.070 1.00 20.25 C ATOM 775 CD2 PHE A 54 13.656 58.669 -23.518 1.00 52.44 C ATOM 776 CE1 PHE A 54 10.979 58.911 -24.152 1.00 74.25 C ATOM 777 CE2 PHE A 54 13.138 57.983 -24.600 1.00 41.13 C ATOM 778 CZ PHE A 54 11.799 58.102 -24.917 1.00 1.54 C ATOM 0 H PHE A 54 14.388 61.736 -19.895 1.00 22.14 H new ATOM 0 HA PHE A 54 15.219 60.981 -22.468 1.00 43.23 H new ATOM 0 HB2 PHE A 54 13.957 59.536 -20.933 1.00 64.13 H new ATOM 0 HB3 PHE A 54 12.588 60.630 -20.974 1.00 64.13 H new ATOM 0 HD1 PHE A 54 10.858 60.222 -22.473 1.00 20.25 H new ATOM 0 HD2 PHE A 54 14.703 58.570 -23.274 1.00 52.44 H new ATOM 0 HE1 PHE A 54 9.932 59.009 -24.399 1.00 74.25 H new ATOM 0 HE2 PHE A 54 13.780 57.354 -25.198 1.00 41.13 H new ATOM 0 HZ PHE A 54 11.393 57.564 -25.761 1.00 1.54 H new ATOM 788 N THR A 55 12.630 63.052 -22.422 1.00 75.41 N ATOM 789 CA THR A 55 11.845 63.940 -23.267 1.00 62.12 C ATOM 790 C THR A 55 12.683 65.136 -23.724 1.00 21.25 C ATOM 791 O THR A 55 12.489 65.659 -24.823 1.00 1.24 O ATOM 792 CB THR A 55 10.556 64.420 -22.551 1.00 4.21 C ATOM 793 OG1 THR A 55 9.697 65.102 -23.472 1.00 21.43 O ATOM 794 CG2 THR A 55 10.868 65.339 -21.380 1.00 4.31 C ATOM 0 H THR A 55 12.345 63.035 -21.443 1.00 75.41 H new ATOM 0 HA THR A 55 11.543 63.371 -24.146 1.00 62.12 H new ATOM 0 HB THR A 55 10.054 63.533 -22.166 1.00 4.21 H new ATOM 0 HG1 THR A 55 8.887 65.398 -23.006 1.00 21.43 H new ATOM 0 HG21 THR A 55 9.938 65.653 -20.906 1.00 4.31 H new ATOM 0 HG22 THR A 55 11.484 64.808 -20.655 1.00 4.31 H new ATOM 0 HG23 THR A 55 11.406 66.216 -21.739 1.00 4.31 H new ATOM 802 N GLN A 56 13.641 65.538 -22.892 1.00 32.54 N ATOM 803 CA GLN A 56 14.518 66.654 -23.219 1.00 40.22 C ATOM 804 C GLN A 56 15.376 66.307 -24.433 1.00 42.31 C ATOM 805 O GLN A 56 15.521 67.104 -25.358 1.00 33.50 O ATOM 806 CB GLN A 56 15.414 66.979 -22.024 1.00 24.31 C ATOM 807 CG GLN A 56 15.656 68.462 -21.818 1.00 3.12 C ATOM 808 CD GLN A 56 14.382 69.215 -21.490 1.00 23.51 C ATOM 809 OE1 GLN A 56 13.702 69.730 -22.379 1.00 22.43 O ATOM 810 NE2 GLN A 56 14.037 69.266 -20.213 1.00 51.20 N ATOM 0 H GLN A 56 13.828 65.106 -21.987 1.00 32.54 H new ATOM 0 HA GLN A 56 13.908 67.526 -23.455 1.00 40.22 H new ATOM 0 HB2 GLN A 56 14.962 66.567 -21.122 1.00 24.31 H new ATOM 0 HB3 GLN A 56 16.374 66.480 -22.157 1.00 24.31 H new ATOM 0 HG2 GLN A 56 16.375 68.601 -21.011 1.00 3.12 H new ATOM 0 HG3 GLN A 56 16.102 68.883 -22.719 1.00 3.12 H new ATOM 0 HE21 GLN A 56 14.628 68.827 -19.507 1.00 51.20 H new ATOM 0 HE22 GLN A 56 13.180 69.745 -19.935 1.00 51.20 H new ATOM 819 N ALA A 57 15.919 65.096 -24.423 1.00 43.12 N ATOM 820 CA ALA A 57 16.757 64.614 -25.514 1.00 74.22 C ATOM 821 C ALA A 57 15.958 64.495 -26.810 1.00 13.44 C ATOM 822 O ALA A 57 16.491 64.708 -27.901 1.00 44.41 O ATOM 823 CB ALA A 57 17.385 63.275 -25.148 1.00 32.32 C ATOM 0 H ALA A 57 15.793 64.425 -23.665 1.00 43.12 H new ATOM 0 HA ALA A 57 17.553 65.341 -25.677 1.00 74.22 H new ATOM 0 HB1 ALA A 57 18.008 62.928 -25.972 1.00 32.32 H new ATOM 0 HB2 ALA A 57 17.998 63.393 -24.255 1.00 32.32 H new ATOM 0 HB3 ALA A 57 16.599 62.545 -24.955 1.00 32.32 H new ATOM 829 N ILE A 58 14.678 64.162 -26.686 1.00 52.41 N ATOM 830 CA ILE A 58 13.801 64.064 -27.846 1.00 43.42 C ATOM 831 C ILE A 58 13.604 65.438 -28.486 1.00 42.32 C ATOM 832 O ILE A 58 13.564 65.567 -29.707 1.00 2.22 O ATOM 833 CB ILE A 58 12.425 63.462 -27.472 1.00 4.31 C ATOM 834 CG1 ILE A 58 12.597 62.044 -26.915 1.00 33.32 C ATOM 835 CG2 ILE A 58 11.493 63.449 -28.675 1.00 22.11 C ATOM 836 CD1 ILE A 58 13.301 61.091 -27.861 1.00 75.03 C ATOM 0 H ILE A 58 14.226 63.956 -25.795 1.00 52.41 H new ATOM 0 HA ILE A 58 14.282 63.397 -28.561 1.00 43.42 H new ATOM 0 HB ILE A 58 11.977 64.089 -26.701 1.00 4.31 H new ATOM 0 HG12 ILE A 58 13.160 62.097 -25.983 1.00 33.32 H new ATOM 0 HG13 ILE A 58 11.615 61.639 -26.672 1.00 33.32 H new ATOM 0 HG21 ILE A 58 10.533 63.021 -28.387 1.00 22.11 H new ATOM 0 HG22 ILE A 58 11.344 64.468 -29.031 1.00 22.11 H new ATOM 0 HG23 ILE A 58 11.934 62.848 -29.470 1.00 22.11 H new ATOM 0 HD11 ILE A 58 13.384 60.110 -27.394 1.00 75.03 H new ATOM 0 HD12 ILE A 58 12.729 61.006 -28.785 1.00 75.03 H new ATOM 0 HD13 ILE A 58 14.298 61.471 -28.085 1.00 75.03 H new ATOM 848 N GLN A 59 13.509 66.465 -27.654 1.00 20.32 N ATOM 849 CA GLN A 59 13.345 67.828 -28.140 1.00 43.14 C ATOM 850 C GLN A 59 14.619 68.317 -28.824 1.00 30.01 C ATOM 851 O GLN A 59 14.563 69.001 -29.846 1.00 22.32 O ATOM 852 CB GLN A 59 12.971 68.756 -26.986 1.00 0.24 C ATOM 853 CG GLN A 59 11.642 68.405 -26.346 1.00 33.03 C ATOM 854 CD GLN A 59 11.393 69.163 -25.061 1.00 32.54 C ATOM 855 OE1 GLN A 59 11.848 70.292 -24.886 1.00 24.13 O ATOM 856 NE2 GLN A 59 10.672 68.538 -24.147 1.00 51.23 N ATOM 0 H GLN A 59 13.543 66.381 -26.638 1.00 20.32 H new ATOM 0 HA GLN A 59 12.540 67.837 -28.875 1.00 43.14 H new ATOM 0 HB2 GLN A 59 13.754 68.717 -26.228 1.00 0.24 H new ATOM 0 HB3 GLN A 59 12.932 69.782 -27.351 1.00 0.24 H new ATOM 0 HG2 GLN A 59 10.837 68.618 -27.050 1.00 33.03 H new ATOM 0 HG3 GLN A 59 11.613 67.335 -26.143 1.00 33.03 H new ATOM 0 HE21 GLN A 59 10.313 67.601 -24.333 1.00 51.23 H new ATOM 0 HE22 GLN A 59 10.474 68.992 -23.255 1.00 51.23 H new ATOM 865 N SER A 60 15.764 67.955 -28.263 1.00 51.04 N ATOM 866 CA SER A 60 17.048 68.352 -28.827 1.00 11.41 C ATOM 867 C SER A 60 17.302 67.669 -30.173 1.00 54.31 C ATOM 868 O SER A 60 17.925 68.249 -31.064 1.00 71.15 O ATOM 869 CB SER A 60 18.176 68.024 -27.847 1.00 73.34 C ATOM 870 OG SER A 60 17.968 68.663 -26.598 1.00 3.51 O ATOM 0 H SER A 60 15.831 67.387 -27.418 1.00 51.04 H new ATOM 0 HA SER A 60 17.022 69.428 -28.998 1.00 11.41 H new ATOM 0 HB2 SER A 60 18.234 66.945 -27.702 1.00 73.34 H new ATOM 0 HB3 SER A 60 19.131 68.341 -28.267 1.00 73.34 H new ATOM 0 HG SER A 60 17.205 68.251 -26.143 1.00 3.51 H new ATOM 876 N GLN A 61 16.796 66.449 -30.334 1.00 30.10 N ATOM 877 CA GLN A 61 17.045 65.682 -31.553 1.00 24.42 C ATOM 878 C GLN A 61 16.151 66.159 -32.700 1.00 14.32 C ATOM 879 O GLN A 61 16.349 65.773 -33.852 1.00 1.12 O ATOM 880 CB GLN A 61 16.836 64.183 -31.311 1.00 64.21 C ATOM 881 CG GLN A 61 15.375 63.760 -31.273 1.00 32.32 C ATOM 882 CD GLN A 61 15.188 62.282 -30.990 1.00 64.01 C ATOM 883 OE1 GLN A 61 14.246 61.661 -31.480 1.00 52.54 O ATOM 884 NE2 GLN A 61 16.064 61.716 -30.178 1.00 61.52 N ATOM 0 H GLN A 61 16.216 65.973 -29.643 1.00 30.10 H new ATOM 0 HA GLN A 61 18.085 65.847 -31.836 1.00 24.42 H new ATOM 0 HB2 GLN A 61 17.345 63.624 -32.096 1.00 64.21 H new ATOM 0 HB3 GLN A 61 17.308 63.909 -30.367 1.00 64.21 H new ATOM 0 HG2 GLN A 61 14.856 64.338 -30.509 1.00 32.32 H new ATOM 0 HG3 GLN A 61 14.908 64.002 -32.228 1.00 32.32 H new ATOM 0 HE21 GLN A 61 16.832 62.266 -29.792 1.00 61.52 H new ATOM 0 HE22 GLN A 61 15.972 60.729 -29.937 1.00 61.52 H new ATOM 893 N ILE A 62 15.186 67.019 -32.382 1.00 25.21 N ATOM 894 CA ILE A 62 14.249 67.528 -33.381 1.00 60.23 C ATOM 895 C ILE A 62 14.997 68.324 -34.442 1.00 4.22 C ATOM 896 O ILE A 62 14.640 68.300 -35.620 1.00 73.53 O ATOM 897 CB ILE A 62 13.159 68.423 -32.741 1.00 31.41 C ATOM 898 CG1 ILE A 62 12.338 67.616 -31.736 1.00 75.12 C ATOM 899 CG2 ILE A 62 12.249 69.029 -33.806 1.00 11.33 C ATOM 900 CD1 ILE A 62 11.278 68.428 -31.019 1.00 54.33 C ATOM 0 H ILE A 62 15.032 67.378 -31.440 1.00 25.21 H new ATOM 0 HA ILE A 62 13.759 66.668 -33.838 1.00 60.23 H new ATOM 0 HB ILE A 62 13.655 69.241 -32.218 1.00 31.41 H new ATOM 0 HG12 ILE A 62 11.857 66.787 -32.256 1.00 75.12 H new ATOM 0 HG13 ILE A 62 13.011 67.181 -30.997 1.00 75.12 H new ATOM 0 HG21 ILE A 62 11.494 69.652 -33.327 1.00 11.33 H new ATOM 0 HG22 ILE A 62 12.843 69.638 -34.488 1.00 11.33 H new ATOM 0 HG23 ILE A 62 11.760 68.230 -34.364 1.00 11.33 H new ATOM 0 HD11 ILE A 62 10.737 67.787 -30.323 1.00 54.33 H new ATOM 0 HD12 ILE A 62 11.752 69.241 -30.470 1.00 54.33 H new ATOM 0 HD13 ILE A 62 10.581 68.841 -31.748 1.00 54.33 H new ATOM 912 N LEU A 63 16.066 68.988 -34.010 1.00 64.35 N ATOM 913 CA LEU A 63 16.883 69.822 -34.887 1.00 53.53 C ATOM 914 C LEU A 63 17.353 69.051 -36.121 1.00 34.31 C ATOM 915 O LEU A 63 17.441 69.609 -37.218 1.00 74.53 O ATOM 916 CB LEU A 63 18.091 70.351 -34.114 1.00 24.15 C ATOM 917 CG LEU A 63 17.759 71.212 -32.891 1.00 14.34 C ATOM 918 CD1 LEU A 63 19.032 71.618 -32.166 1.00 52.54 C ATOM 919 CD2 LEU A 63 16.963 72.442 -33.300 1.00 61.01 C ATOM 0 H LEU A 63 16.390 68.963 -33.043 1.00 64.35 H new ATOM 0 HA LEU A 63 16.268 70.655 -35.229 1.00 53.53 H new ATOM 0 HB2 LEU A 63 18.693 69.503 -33.788 1.00 24.15 H new ATOM 0 HB3 LEU A 63 18.708 70.938 -34.794 1.00 24.15 H new ATOM 0 HG LEU A 63 17.147 70.620 -32.211 1.00 14.34 H new ATOM 0 HD11 LEU A 63 18.778 72.229 -31.300 1.00 52.54 H new ATOM 0 HD12 LEU A 63 19.564 70.725 -31.837 1.00 52.54 H new ATOM 0 HD13 LEU A 63 19.668 72.191 -32.841 1.00 52.54 H new ATOM 0 HD21 LEU A 63 16.738 73.040 -32.417 1.00 61.01 H new ATOM 0 HD22 LEU A 63 17.548 73.037 -34.001 1.00 61.01 H new ATOM 0 HD23 LEU A 63 16.032 72.132 -33.775 1.00 61.01 H new ATOM 931 N GLY A 64 17.653 67.773 -35.934 1.00 54.14 N ATOM 932 CA GLY A 64 18.072 66.942 -37.043 1.00 43.53 C ATOM 933 C GLY A 64 16.951 66.053 -37.540 1.00 42.50 C ATOM 934 O GLY A 64 16.883 65.731 -38.727 1.00 45.41 O ATOM 0 H GLY A 64 17.613 67.297 -35.033 1.00 54.14 H new ATOM 0 HA2 GLY A 64 18.422 67.575 -37.859 1.00 43.53 H new ATOM 0 HA3 GLY A 64 18.915 66.324 -36.735 1.00 43.53 H new ATOM 938 N GLY A 65 16.062 65.674 -36.627 1.00 25.24 N ATOM 939 CA GLY A 65 14.950 64.804 -36.965 1.00 5.50 C ATOM 940 C GLY A 65 14.061 65.376 -38.051 1.00 33.53 C ATOM 941 O GLY A 65 13.538 64.635 -38.885 1.00 11.34 O ATOM 0 H GLY A 65 16.094 65.958 -35.648 1.00 25.24 H new ATOM 0 HA2 GLY A 65 15.337 63.838 -37.291 1.00 5.50 H new ATOM 0 HA3 GLY A 65 14.353 64.623 -36.071 1.00 5.50 H new ATOM 945 N LEU A 66 13.898 66.697 -38.051 1.00 53.33 N ATOM 946 CA LEU A 66 13.093 67.371 -39.064 1.00 72.23 C ATOM 947 C LEU A 66 13.599 67.051 -40.470 1.00 34.12 C ATOM 948 O LEU A 66 12.813 66.862 -41.395 1.00 33.03 O ATOM 949 CB LEU A 66 13.114 68.885 -38.844 1.00 31.31 C ATOM 950 CG LEU A 66 12.488 69.369 -37.532 1.00 64.21 C ATOM 951 CD1 LEU A 66 12.577 70.884 -37.430 1.00 22.03 C ATOM 952 CD2 LEU A 66 11.040 68.910 -37.429 1.00 65.03 C ATOM 0 H LEU A 66 14.314 67.321 -37.360 1.00 53.33 H new ATOM 0 HA LEU A 66 12.070 67.008 -38.970 1.00 72.23 H new ATOM 0 HB2 LEU A 66 14.149 69.226 -38.880 1.00 31.31 H new ATOM 0 HB3 LEU A 66 12.592 69.363 -39.673 1.00 31.31 H new ATOM 0 HG LEU A 66 13.045 68.934 -36.702 1.00 64.21 H new ATOM 0 HD11 LEU A 66 12.128 71.213 -36.493 1.00 22.03 H new ATOM 0 HD12 LEU A 66 13.623 71.190 -37.458 1.00 22.03 H new ATOM 0 HD13 LEU A 66 12.044 71.337 -38.266 1.00 22.03 H new ATOM 0 HD21 LEU A 66 10.612 69.263 -36.491 1.00 65.03 H new ATOM 0 HD22 LEU A 66 10.469 69.317 -38.264 1.00 65.03 H new ATOM 0 HD23 LEU A 66 11.000 67.821 -37.459 1.00 65.03 H new ATOM 964 N LEU A 67 14.916 66.976 -40.618 1.00 53.21 N ATOM 965 CA LEU A 67 15.524 66.688 -41.910 1.00 64.45 C ATOM 966 C LEU A 67 15.399 65.206 -42.239 1.00 60.43 C ATOM 967 O LEU A 67 15.139 64.829 -43.382 1.00 44.24 O ATOM 968 CB LEU A 67 16.999 67.102 -41.910 1.00 51.43 C ATOM 969 CG LEU A 67 17.261 68.588 -41.664 1.00 3.00 C ATOM 970 CD1 LEU A 67 18.756 68.862 -41.623 1.00 70.32 C ATOM 971 CD2 LEU A 67 16.595 69.433 -42.741 1.00 22.21 C ATOM 0 H LEU A 67 15.583 67.111 -39.858 1.00 53.21 H new ATOM 0 HA LEU A 67 14.997 67.262 -42.673 1.00 64.45 H new ATOM 0 HB2 LEU A 67 17.521 66.527 -41.145 1.00 51.43 H new ATOM 0 HB3 LEU A 67 17.436 66.827 -42.870 1.00 51.43 H new ATOM 0 HG LEU A 67 16.832 68.859 -40.699 1.00 3.00 H new ATOM 0 HD11 LEU A 67 18.927 69.924 -41.447 1.00 70.32 H new ATOM 0 HD12 LEU A 67 19.210 68.283 -40.818 1.00 70.32 H new ATOM 0 HD13 LEU A 67 19.205 68.575 -42.574 1.00 70.32 H new ATOM 0 HD21 LEU A 67 16.792 70.488 -42.550 1.00 22.21 H new ATOM 0 HD22 LEU A 67 16.996 69.160 -43.717 1.00 22.21 H new ATOM 0 HD23 LEU A 67 15.519 69.257 -42.728 1.00 22.21 H new ATOM 983 N SER A 68 15.571 64.373 -41.224 1.00 40.32 N ATOM 984 CA SER A 68 15.532 62.929 -41.393 1.00 11.31 C ATOM 985 C SER A 68 14.137 62.449 -41.796 1.00 75.02 C ATOM 986 O SER A 68 13.998 61.553 -42.632 1.00 75.11 O ATOM 987 CB SER A 68 15.975 62.245 -40.099 1.00 0.14 C ATOM 988 OG SER A 68 17.225 62.755 -39.662 1.00 4.11 O ATOM 0 H SER A 68 15.741 64.677 -40.265 1.00 40.32 H new ATOM 0 HA SER A 68 16.218 62.662 -42.197 1.00 11.31 H new ATOM 0 HB2 SER A 68 15.223 62.400 -39.325 1.00 0.14 H new ATOM 0 HB3 SER A 68 16.052 61.169 -40.259 1.00 0.14 H new ATOM 0 HG SER A 68 17.096 63.644 -39.269 1.00 4.11 H new ATOM 994 N ASN A 69 13.107 63.069 -41.228 1.00 22.22 N ATOM 995 CA ASN A 69 11.733 62.633 -41.459 1.00 3.21 C ATOM 996 C ASN A 69 11.219 63.067 -42.829 1.00 33.23 C ATOM 997 O ASN A 69 10.142 62.650 -43.254 1.00 41.32 O ATOM 998 CB ASN A 69 10.806 63.147 -40.352 1.00 53.44 C ATOM 999 CG ASN A 69 11.080 62.480 -39.013 1.00 25.14 C ATOM 1000 OD1 ASN A 69 11.572 61.352 -38.958 1.00 41.35 O ATOM 1001 ND2 ASN A 69 10.752 63.158 -37.923 1.00 2.13 N ATOM 0 H ASN A 69 13.197 63.873 -40.606 1.00 22.22 H new ATOM 0 HA ASN A 69 11.734 61.543 -41.439 1.00 3.21 H new ATOM 0 HB2 ASN A 69 10.929 64.225 -40.250 1.00 53.44 H new ATOM 0 HB3 ASN A 69 9.769 62.970 -40.638 1.00 53.44 H new ATOM 0 HD21 ASN A 69 10.905 62.748 -37.002 1.00 2.13 H new ATOM 0 HD22 ASN A 69 10.346 64.090 -38.005 1.00 2.13 H new ATOM 1008 N ILE A 70 11.986 63.901 -43.526 1.00 71.41 N ATOM 1009 CA ILE A 70 11.624 64.317 -44.879 1.00 54.25 C ATOM 1010 C ILE A 70 11.842 63.170 -45.858 1.00 15.54 C ATOM 1011 O ILE A 70 11.071 62.974 -46.801 1.00 23.53 O ATOM 1012 CB ILE A 70 12.445 65.547 -45.335 1.00 3.10 C ATOM 1013 CG1 ILE A 70 12.142 66.751 -44.442 1.00 23.53 C ATOM 1014 CG2 ILE A 70 12.163 65.883 -46.793 1.00 12.32 C ATOM 1015 CD1 ILE A 70 10.676 67.135 -44.410 1.00 42.43 C ATOM 0 H ILE A 70 12.858 64.301 -43.179 1.00 71.41 H new ATOM 0 HA ILE A 70 10.570 64.595 -44.866 1.00 54.25 H new ATOM 0 HB ILE A 70 13.503 65.300 -45.244 1.00 3.10 H new ATOM 0 HG12 ILE A 70 12.473 66.531 -43.427 1.00 23.53 H new ATOM 0 HG13 ILE A 70 12.724 67.605 -44.789 1.00 23.53 H new ATOM 0 HG21 ILE A 70 12.753 66.751 -47.087 1.00 12.32 H new ATOM 0 HG22 ILE A 70 12.431 65.033 -47.421 1.00 12.32 H new ATOM 0 HG23 ILE A 70 11.103 66.106 -46.917 1.00 12.32 H new ATOM 0 HD11 ILE A 70 10.540 67.996 -43.756 1.00 42.43 H new ATOM 0 HD12 ILE A 70 10.344 67.388 -45.417 1.00 42.43 H new ATOM 0 HD13 ILE A 70 10.089 66.297 -44.034 1.00 42.43 H new ATOM 1129 N MET A 78 19.410 45.477 -38.446 1.00 12.00 N ATOM 1130 CA MET A 78 19.090 44.079 -38.217 1.00 2.03 C ATOM 1131 C MET A 78 20.258 43.353 -37.561 1.00 70.13 C ATOM 1132 O MET A 78 21.299 43.127 -38.187 1.00 44.34 O ATOM 1133 CB MET A 78 18.712 43.396 -39.535 1.00 63.14 C ATOM 1134 CG MET A 78 18.315 41.936 -39.369 1.00 52.15 C ATOM 1135 SD MET A 78 17.818 41.167 -40.921 1.00 73.31 S ATOM 1136 CE MET A 78 19.328 41.318 -41.871 1.00 35.54 C ATOM 0 HA MET A 78 18.237 44.033 -37.540 1.00 2.03 H new ATOM 0 HB2 MET A 78 17.885 43.939 -39.993 1.00 63.14 H new ATOM 0 HB3 MET A 78 19.555 43.459 -40.223 1.00 63.14 H new ATOM 0 HG2 MET A 78 19.153 41.382 -38.946 1.00 52.15 H new ATOM 0 HG3 MET A 78 17.494 41.866 -38.655 1.00 52.15 H new ATOM 0 HE1 MET A 78 19.180 42.035 -42.678 1.00 35.54 H new ATOM 0 HE2 MET A 78 20.133 41.663 -41.222 1.00 35.54 H new ATOM 0 HE3 MET A 78 19.592 40.348 -42.292 1.00 35.54 H new ATOM 1146 N VAL A 79 20.086 43.002 -36.295 1.00 63.22 N ATOM 1147 CA VAL A 79 21.087 42.230 -35.578 1.00 53.31 C ATOM 1148 C VAL A 79 21.116 40.808 -36.122 1.00 34.33 C ATOM 1149 O VAL A 79 20.233 40.001 -35.838 1.00 23.05 O ATOM 1150 CB VAL A 79 20.810 42.196 -34.059 1.00 51.15 C ATOM 1151 CG1 VAL A 79 21.909 41.440 -33.322 1.00 62.34 C ATOM 1152 CG2 VAL A 79 20.669 43.606 -33.508 1.00 20.14 C ATOM 0 H VAL A 79 19.262 43.240 -35.744 1.00 63.22 H new ATOM 0 HA VAL A 79 22.052 42.713 -35.729 1.00 53.31 H new ATOM 0 HB VAL A 79 19.870 41.668 -33.899 1.00 51.15 H new ATOM 0 HG11 VAL A 79 21.691 41.430 -32.254 1.00 62.34 H new ATOM 0 HG12 VAL A 79 21.957 40.416 -33.692 1.00 62.34 H new ATOM 0 HG13 VAL A 79 22.866 41.932 -33.492 1.00 62.34 H new ATOM 0 HG21 VAL A 79 20.474 43.560 -32.437 1.00 20.14 H new ATOM 0 HG22 VAL A 79 21.591 44.160 -33.686 1.00 20.14 H new ATOM 0 HG23 VAL A 79 19.841 44.110 -34.006 1.00 20.14 H new ATOM 1162 N THR A 80 22.115 40.519 -36.931 1.00 24.24 N ATOM 1163 CA THR A 80 22.227 39.225 -37.566 1.00 43.31 C ATOM 1164 C THR A 80 23.395 38.454 -36.955 1.00 22.22 C ATOM 1165 O THR A 80 24.271 39.050 -36.329 1.00 20.53 O ATOM 1166 CB THR A 80 22.431 39.401 -39.084 1.00 4.42 C ATOM 1167 OG1 THR A 80 21.638 40.500 -39.554 1.00 23.43 O ATOM 1168 CG2 THR A 80 22.031 38.145 -39.841 1.00 23.11 C ATOM 0 H THR A 80 22.865 41.169 -37.164 1.00 24.24 H new ATOM 0 HA THR A 80 21.309 38.660 -37.403 1.00 43.31 H new ATOM 0 HB THR A 80 23.489 39.595 -39.261 1.00 4.42 H new ATOM 0 HG1 THR A 80 22.102 41.342 -39.366 1.00 23.43 H new ATOM 0 HG21 THR A 80 22.186 38.299 -40.909 1.00 23.11 H new ATOM 0 HG22 THR A 80 22.641 37.307 -39.503 1.00 23.11 H new ATOM 0 HG23 THR A 80 20.979 37.927 -39.655 1.00 23.11 H new ATOM 1176 N ASN A 81 23.390 37.135 -37.109 1.00 12.13 N ATOM 1177 CA ASN A 81 24.447 36.298 -36.551 1.00 13.33 C ATOM 1178 C ASN A 81 25.763 36.565 -37.272 1.00 53.52 C ATOM 1179 O ASN A 81 26.797 36.778 -36.645 1.00 72.31 O ATOM 1180 CB ASN A 81 24.058 34.815 -36.669 1.00 31.34 C ATOM 1181 CG ASN A 81 24.996 33.861 -35.931 1.00 23.22 C ATOM 1182 OD1 ASN A 81 26.194 34.099 -35.806 1.00 55.05 O ATOM 1183 ND2 ASN A 81 24.441 32.766 -35.434 1.00 51.02 N ATOM 0 H ASN A 81 22.668 36.622 -37.615 1.00 12.13 H new ATOM 0 HA ASN A 81 24.576 36.542 -35.496 1.00 13.33 H new ATOM 0 HB2 ASN A 81 23.047 34.684 -36.283 1.00 31.34 H new ATOM 0 HB3 ASN A 81 24.034 34.540 -37.723 1.00 31.34 H new ATOM 0 HD21 ASN A 81 25.012 32.089 -34.929 1.00 51.02 H new ATOM 0 HD22 ASN A 81 23.442 32.600 -35.556 1.00 51.02 H new ATOM 1190 N ASP A 82 25.703 36.589 -38.595 1.00 32.11 N ATOM 1191 CA ASP A 82 26.898 36.749 -39.417 1.00 24.13 C ATOM 1192 C ASP A 82 27.464 38.172 -39.373 1.00 61.51 C ATOM 1193 O ASP A 82 28.682 38.347 -39.384 1.00 75.51 O ATOM 1194 CB ASP A 82 26.613 36.333 -40.867 1.00 23.52 C ATOM 1195 CG ASP A 82 25.275 36.833 -41.376 1.00 72.21 C ATOM 1196 OD1 ASP A 82 24.252 36.161 -41.109 1.00 63.25 O ATOM 1197 OD2 ASP A 82 25.234 37.887 -42.043 1.00 30.43 O1- ATOM 0 H ASP A 82 24.837 36.499 -39.126 1.00 32.11 H new ATOM 0 HA ASP A 82 27.659 36.092 -38.995 1.00 24.13 H new ATOM 0 HB2 ASP A 82 27.406 36.714 -41.511 1.00 23.52 H new ATOM 0 HB3 ASP A 82 26.639 35.246 -40.939 1.00 23.52 H new ATOM 1202 N TYR A 83 26.594 39.178 -39.298 1.00 2.10 N ATOM 1203 CA TYR A 83 27.020 40.582 -39.341 1.00 61.22 C ATOM 1204 C TYR A 83 25.979 41.482 -38.699 1.00 25.13 C ATOM 1205 O TYR A 83 24.861 41.055 -38.421 1.00 35.42 O ATOM 1206 CB TYR A 83 27.226 41.071 -40.782 1.00 22.35 C ATOM 1207 CG TYR A 83 28.412 40.473 -41.504 1.00 63.34 C ATOM 1208 CD1 TYR A 83 28.226 39.691 -42.633 1.00 54.31 C ATOM 1209 CD2 TYR A 83 29.711 40.685 -41.057 1.00 61.31 C ATOM 1210 CE1 TYR A 83 29.300 39.140 -43.303 1.00 54.50 C ATOM 1211 CE2 TYR A 83 30.791 40.138 -41.722 1.00 43.02 C ATOM 1212 CZ TYR A 83 30.580 39.362 -42.842 1.00 0.23 C ATOM 1213 OH TYR A 83 31.654 38.813 -43.509 1.00 35.22 O ATOM 0 H TYR A 83 25.586 39.049 -39.207 1.00 2.10 H new ATOM 0 HA TYR A 83 27.963 40.633 -38.796 1.00 61.22 H new ATOM 0 HB2 TYR A 83 26.325 40.852 -41.355 1.00 22.35 H new ATOM 0 HB3 TYR A 83 27.339 42.155 -40.768 1.00 22.35 H new ATOM 0 HD1 TYR A 83 27.225 39.510 -42.995 1.00 54.31 H new ATOM 0 HD2 TYR A 83 29.878 41.287 -40.176 1.00 61.31 H new ATOM 0 HE1 TYR A 83 29.138 38.538 -44.185 1.00 54.50 H new ATOM 0 HE2 TYR A 83 31.795 40.317 -41.367 1.00 43.02 H new ATOM 0 HH TYR A 83 32.437 39.393 -43.401 1.00 35.22 H new ATOM 1223 N ILE A 84 26.348 42.732 -38.478 1.00 71.04 N ATOM 1224 CA ILE A 84 25.391 43.742 -38.074 1.00 33.43 C ATOM 1225 C ILE A 84 24.959 44.542 -39.291 1.00 24.33 C ATOM 1226 O ILE A 84 25.674 45.434 -39.749 1.00 13.30 O ATOM 1227 CB ILE A 84 25.969 44.694 -37.006 1.00 35.11 C ATOM 1228 CG1 ILE A 84 26.381 43.901 -35.765 1.00 70.51 C ATOM 1229 CG2 ILE A 84 24.953 45.770 -36.642 1.00 63.41 C ATOM 1230 CD1 ILE A 84 25.264 43.048 -35.208 1.00 21.15 C ATOM 0 H ILE A 84 27.306 43.070 -38.572 1.00 71.04 H new ATOM 0 HA ILE A 84 24.535 43.233 -37.632 1.00 33.43 H new ATOM 0 HB ILE A 84 26.852 45.185 -37.416 1.00 35.11 H new ATOM 0 HG12 ILE A 84 27.228 43.262 -36.014 1.00 70.51 H new ATOM 0 HG13 ILE A 84 26.720 44.594 -34.995 1.00 70.51 H new ATOM 0 HG21 ILE A 84 25.378 46.432 -35.888 1.00 63.41 H new ATOM 0 HG22 ILE A 84 24.701 46.348 -37.531 1.00 63.41 H new ATOM 0 HG23 ILE A 84 24.052 45.301 -36.247 1.00 63.41 H new ATOM 0 HD11 ILE A 84 25.620 42.511 -34.329 1.00 21.15 H new ATOM 0 HD12 ILE A 84 24.425 43.685 -34.929 1.00 21.15 H new ATOM 0 HD13 ILE A 84 24.941 42.333 -35.964 1.00 21.15 H new ATOM 1242 N VAL A 85 23.808 44.193 -39.834 1.00 45.21 N ATOM 1243 CA VAL A 85 23.300 44.850 -41.021 1.00 41.00 C ATOM 1244 C VAL A 85 22.537 46.109 -40.638 1.00 52.13 C ATOM 1245 O VAL A 85 21.359 46.051 -40.289 1.00 43.50 O ATOM 1246 CB VAL A 85 22.382 43.913 -41.840 1.00 62.43 C ATOM 1247 CG1 VAL A 85 21.947 44.577 -43.137 1.00 1.04 C ATOM 1248 CG2 VAL A 85 23.078 42.591 -42.125 1.00 64.33 C ATOM 0 H VAL A 85 23.206 43.455 -39.469 1.00 45.21 H new ATOM 0 HA VAL A 85 24.155 45.116 -41.643 1.00 41.00 H new ATOM 0 HB VAL A 85 21.491 43.711 -41.245 1.00 62.43 H new ATOM 0 HG11 VAL A 85 21.302 43.898 -43.695 1.00 1.04 H new ATOM 0 HG12 VAL A 85 21.401 45.493 -42.911 1.00 1.04 H new ATOM 0 HG13 VAL A 85 22.826 44.817 -43.736 1.00 1.04 H new ATOM 0 HG21 VAL A 85 22.414 41.947 -42.702 1.00 64.33 H new ATOM 0 HG22 VAL A 85 23.990 42.775 -42.693 1.00 64.33 H new ATOM 0 HG23 VAL A 85 23.330 42.102 -41.184 1.00 64.33 H new ATOM 1258 N ASP A 86 23.227 47.237 -40.659 1.00 31.13 N ATOM 1259 CA ASP A 86 22.596 48.508 -40.355 1.00 20.21 C ATOM 1260 C ASP A 86 22.227 49.233 -41.633 1.00 24.31 C ATOM 1261 O ASP A 86 23.084 49.782 -42.327 1.00 74.51 O ATOM 1262 CB ASP A 86 23.510 49.386 -39.497 1.00 4.42 C ATOM 1263 CG ASP A 86 22.883 50.731 -39.175 1.00 33.31 C ATOM 1264 OD1 ASP A 86 21.970 50.780 -38.323 1.00 21.44 O ATOM 1265 OD2 ASP A 86 23.309 51.749 -39.752 1.00 45.22 O1- ATOM 0 H ASP A 86 24.220 47.298 -40.883 1.00 31.13 H new ATOM 0 HA ASP A 86 21.688 48.305 -39.788 1.00 20.21 H new ATOM 0 HB2 ASP A 86 23.743 48.865 -38.568 1.00 4.42 H new ATOM 0 HB3 ASP A 86 24.454 49.544 -40.020 1.00 4.42 H new ATOM 1270 N ILE A 87 20.952 49.187 -41.968 1.00 70.13 N ATOM 1271 CA ILE A 87 20.449 49.918 -43.110 1.00 11.31 C ATOM 1272 C ILE A 87 20.040 51.320 -42.677 1.00 5.45 C ATOM 1273 O ILE A 87 19.041 51.497 -41.979 1.00 31.44 O ATOM 1274 CB ILE A 87 19.245 49.201 -43.763 1.00 73.15 C ATOM 1275 CG1 ILE A 87 19.624 47.766 -44.143 1.00 41.53 C ATOM 1276 CG2 ILE A 87 18.767 49.971 -44.988 1.00 33.35 C ATOM 1277 CD1 ILE A 87 18.472 46.959 -44.705 1.00 31.30 C ATOM 0 H ILE A 87 20.247 48.650 -41.464 1.00 70.13 H new ATOM 0 HA ILE A 87 21.246 49.974 -43.852 1.00 11.31 H new ATOM 0 HB ILE A 87 18.429 49.164 -43.042 1.00 73.15 H new ATOM 0 HG12 ILE A 87 20.428 47.795 -44.878 1.00 41.53 H new ATOM 0 HG13 ILE A 87 20.016 47.258 -43.262 1.00 41.53 H new ATOM 0 HG21 ILE A 87 17.919 49.453 -45.436 1.00 33.35 H new ATOM 0 HG22 ILE A 87 18.463 50.975 -44.691 1.00 33.35 H new ATOM 0 HG23 ILE A 87 19.577 50.037 -45.715 1.00 33.35 H new ATOM 0 HD11 ILE A 87 18.817 45.955 -44.951 1.00 31.30 H new ATOM 0 HD12 ILE A 87 17.675 46.898 -43.964 1.00 31.30 H new ATOM 0 HD13 ILE A 87 18.094 47.443 -45.605 1.00 31.30 H new ATOM 1289 N ALA A 88 20.840 52.303 -43.048 1.00 34.53 N ATOM 1290 CA ALA A 88 20.548 53.688 -42.716 1.00 21.21 C ATOM 1291 C ALA A 88 20.073 54.437 -43.954 1.00 23.43 C ATOM 1292 O ALA A 88 20.279 53.972 -45.073 1.00 54.14 O ATOM 1293 CB ALA A 88 21.782 54.358 -42.127 1.00 40.44 C ATOM 0 H ALA A 88 21.699 52.169 -43.581 1.00 34.53 H new ATOM 0 HA ALA A 88 19.752 53.712 -41.971 1.00 21.21 H new ATOM 0 HB1 ALA A 88 21.551 55.395 -41.882 1.00 40.44 H new ATOM 0 HB2 ALA A 88 22.086 53.831 -41.223 1.00 40.44 H new ATOM 0 HB3 ALA A 88 22.594 54.329 -42.854 1.00 40.44 H new ATOM 1299 N ASN A 89 19.435 55.579 -43.760 1.00 52.24 N ATOM 1300 CA ASN A 89 18.974 56.391 -44.877 1.00 21.13 C ATOM 1301 C ASN A 89 19.238 57.863 -44.604 1.00 22.12 C ATOM 1302 O ASN A 89 18.811 58.402 -43.583 1.00 62.21 O ATOM 1303 CB ASN A 89 17.480 56.169 -45.137 1.00 44.43 C ATOM 1304 CG ASN A 89 16.986 56.932 -46.355 1.00 51.24 C ATOM 1305 OD1 ASN A 89 16.570 58.087 -46.260 1.00 34.21 O ATOM 1306 ND2 ASN A 89 17.025 56.289 -47.511 1.00 52.10 N ATOM 0 H ASN A 89 19.224 55.966 -42.840 1.00 52.24 H new ATOM 0 HA ASN A 89 19.528 56.087 -45.765 1.00 21.13 H new ATOM 0 HB2 ASN A 89 17.292 55.104 -45.277 1.00 44.43 H new ATOM 0 HB3 ASN A 89 16.911 56.480 -44.261 1.00 44.43 H new ATOM 0 HD21 ASN A 89 16.704 56.750 -48.362 1.00 52.10 H new ATOM 0 HD22 ASN A 89 17.376 55.332 -47.551 1.00 52.10 H new ATOM 1313 N ARG A 90 19.965 58.500 -45.506 1.00 34.23 N ATOM 1314 CA ARG A 90 20.234 59.925 -45.408 1.00 61.53 C ATOM 1315 C ARG A 90 20.125 60.565 -46.778 1.00 14.51 C ATOM 1316 O ARG A 90 20.650 60.032 -47.759 1.00 31.12 O ATOM 1317 CB ARG A 90 21.618 60.200 -44.814 1.00 1.00 C ATOM 1318 CG ARG A 90 21.727 59.887 -43.332 1.00 75.44 C ATOM 1319 CD ARG A 90 23.008 60.457 -42.743 1.00 14.21 C ATOM 1320 NE ARG A 90 23.048 61.915 -42.845 1.00 45.22 N ATOM 1321 CZ ARG A 90 24.022 62.674 -42.347 1.00 45.51 C ATOM 1322 NH1 ARG A 90 25.064 62.117 -41.737 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 23.961 63.992 -42.486 1.00 21.12 N ATOM 0 H ARG A 90 20.382 58.049 -46.320 1.00 34.23 H new ATOM 0 HA ARG A 90 19.491 60.360 -44.739 1.00 61.53 H new ATOM 0 HB2 ARG A 90 22.358 59.610 -45.355 1.00 1.00 H new ATOM 0 HB3 ARG A 90 21.868 61.249 -44.973 1.00 1.00 H new ATOM 0 HG2 ARG A 90 20.866 60.300 -42.806 1.00 75.44 H new ATOM 0 HG3 ARG A 90 21.704 58.808 -43.183 1.00 75.44 H new ATOM 0 HD2 ARG A 90 23.090 60.163 -41.697 1.00 14.21 H new ATOM 0 HD3 ARG A 90 23.868 60.032 -43.262 1.00 14.21 H new ATOM 0 HE ARG A 90 22.280 62.381 -43.329 1.00 45.22 H new ATOM 0 HH11 ARG A 90 25.121 61.102 -41.648 1.00 34.45 H new ATOM 0 HH12 ARG A 90 25.807 62.704 -41.358 1.00 34.45 H new ATOM 0 HH21 ARG A 90 23.172 64.418 -42.972 1.00 21.12 H new ATOM 0 HH22 ARG A 90 24.704 64.580 -42.107 1.00 21.12 H new ATOM 1337 N ASP A 91 19.408 61.683 -46.843 1.00 14.33 N ATOM 1338 CA ASP A 91 19.240 62.440 -48.084 1.00 71.02 C ATOM 1339 C ASP A 91 18.475 61.627 -49.122 1.00 43.52 C ATOM 1340 O ASP A 91 18.484 61.946 -50.310 1.00 61.51 O ATOM 1341 CB ASP A 91 20.599 62.886 -48.640 1.00 34.34 C ATOM 1342 CG ASP A 91 21.279 63.903 -47.747 1.00 2.00 C ATOM 1343 OD1 ASP A 91 22.036 63.502 -46.837 1.00 21.24 O ATOM 1344 OD2 ASP A 91 21.054 65.116 -47.946 1.00 32.31 O1- ATOM 0 H ASP A 91 18.928 62.091 -46.041 1.00 14.33 H new ATOM 0 HA ASP A 91 18.655 63.331 -47.855 1.00 71.02 H new ATOM 0 HB2 ASP A 91 21.246 62.016 -48.754 1.00 34.34 H new ATOM 0 HB3 ASP A 91 20.460 63.313 -49.633 1.00 34.34 H new ATOM 1349 N GLY A 92 17.796 60.584 -48.659 1.00 75.32 N ATOM 1350 CA GLY A 92 17.009 59.755 -49.541 1.00 62.34 C ATOM 1351 C GLY A 92 17.713 58.465 -49.901 1.00 52.21 C ATOM 1352 O GLY A 92 17.067 57.459 -50.189 1.00 23.30 O ATOM 0 H GLY A 92 17.779 60.299 -47.680 1.00 75.32 H new ATOM 0 HA2 GLY A 92 16.056 59.525 -49.065 1.00 62.34 H new ATOM 0 HA3 GLY A 92 16.784 60.310 -50.452 1.00 62.34 H new ATOM 1356 N GLN A 93 19.036 58.484 -49.859 1.00 55.42 N ATOM 1357 CA GLN A 93 19.822 57.333 -50.272 1.00 43.03 C ATOM 1358 C GLN A 93 20.086 56.404 -49.093 1.00 53.23 C ATOM 1359 O GLN A 93 20.331 56.854 -47.970 1.00 62.41 O ATOM 1360 CB GLN A 93 21.150 57.786 -50.890 1.00 32.14 C ATOM 1361 CG GLN A 93 21.023 58.913 -51.915 1.00 62.32 C ATOM 1362 CD GLN A 93 20.610 58.462 -53.313 1.00 5.43 C ATOM 1363 OE1 GLN A 93 20.985 59.086 -54.303 1.00 25.23 O ATOM 1364 NE2 GLN A 93 19.845 57.387 -53.416 1.00 33.20 N ATOM 0 H GLN A 93 19.587 59.282 -49.544 1.00 55.42 H new ATOM 0 HA GLN A 93 19.251 56.786 -51.022 1.00 43.03 H new ATOM 0 HB2 GLN A 93 21.815 58.113 -50.091 1.00 32.14 H new ATOM 0 HB3 GLN A 93 21.624 56.929 -51.369 1.00 32.14 H new ATOM 0 HG2 GLN A 93 20.293 59.636 -51.551 1.00 62.32 H new ATOM 0 HG3 GLN A 93 21.979 59.432 -51.983 1.00 62.32 H new ATOM 0 HE21 GLN A 93 19.549 56.889 -52.576 1.00 33.20 H new ATOM 0 HE22 GLN A 93 19.551 57.056 -54.335 1.00 33.20 H new ATOM 1373 N LEU A 94 20.025 55.108 -49.358 1.00 22.14 N ATOM 1374 CA LEU A 94 20.274 54.103 -48.336 1.00 50.31 C ATOM 1375 C LEU A 94 21.769 53.895 -48.142 1.00 43.43 C ATOM 1376 O LEU A 94 22.547 53.976 -49.092 1.00 52.24 O ATOM 1377 CB LEU A 94 19.614 52.765 -48.705 1.00 41.23 C ATOM 1378 CG LEU A 94 18.099 52.672 -48.479 1.00 41.02 C ATOM 1379 CD1 LEU A 94 17.754 52.937 -47.023 1.00 1.43 C ATOM 1380 CD2 LEU A 94 17.343 53.628 -49.391 1.00 42.11 C ATOM 0 H LEU A 94 19.804 54.726 -50.278 1.00 22.14 H new ATOM 0 HA LEU A 94 19.838 54.465 -47.405 1.00 50.31 H new ATOM 0 HB2 LEU A 94 19.817 52.561 -49.756 1.00 41.23 H new ATOM 0 HB3 LEU A 94 20.096 51.975 -48.129 1.00 41.23 H new ATOM 0 HG LEU A 94 17.789 51.657 -48.728 1.00 41.02 H new ATOM 0 HD11 LEU A 94 16.675 52.866 -46.886 1.00 1.43 H new ATOM 0 HD12 LEU A 94 18.249 52.199 -46.392 1.00 1.43 H new ATOM 0 HD13 LEU A 94 18.090 53.936 -46.746 1.00 1.43 H new ATOM 0 HD21 LEU A 94 16.273 53.537 -49.206 1.00 42.11 H new ATOM 0 HD22 LEU A 94 17.661 54.651 -49.189 1.00 42.11 H new ATOM 0 HD23 LEU A 94 17.553 53.381 -50.432 1.00 42.11 H new ATOM 1392 N GLN A 95 22.162 53.640 -46.910 1.00 22.34 N ATOM 1393 CA GLN A 95 23.540 53.328 -46.594 1.00 52.10 C ATOM 1394 C GLN A 95 23.609 51.975 -45.905 1.00 55.53 C ATOM 1395 O GLN A 95 23.186 51.828 -44.758 1.00 20.22 O ATOM 1396 CB GLN A 95 24.149 54.423 -45.713 1.00 54.30 C ATOM 1397 CG GLN A 95 25.606 54.183 -45.350 1.00 4.25 C ATOM 1398 CD GLN A 95 26.263 55.382 -44.684 1.00 5.40 C ATOM 1399 OE1 GLN A 95 27.113 55.228 -43.809 1.00 14.41 O ATOM 1400 NE2 GLN A 95 25.908 56.584 -45.119 1.00 5.31 N ATOM 0 H GLN A 95 21.538 53.643 -46.103 1.00 22.34 H new ATOM 0 HA GLN A 95 24.119 53.282 -47.516 1.00 52.10 H new ATOM 0 HB2 GLN A 95 24.066 55.379 -46.230 1.00 54.30 H new ATOM 0 HB3 GLN A 95 23.565 54.505 -44.796 1.00 54.30 H new ATOM 0 HG2 GLN A 95 25.671 53.324 -44.682 1.00 4.25 H new ATOM 0 HG3 GLN A 95 26.161 53.927 -46.253 1.00 4.25 H new ATOM 0 HE21 GLN A 95 25.199 56.674 -45.847 1.00 5.31 H new ATOM 0 HE22 GLN A 95 26.344 57.418 -44.726 1.00 5.31 H new ATOM 1409 N LEU A 96 24.109 50.985 -46.626 1.00 75.11 N ATOM 1410 CA LEU A 96 24.254 49.645 -46.090 1.00 53.33 C ATOM 1411 C LEU A 96 25.534 49.562 -45.277 1.00 12.32 C ATOM 1412 O LEU A 96 26.628 49.432 -45.828 1.00 51.50 O ATOM 1413 CB LEU A 96 24.278 48.613 -47.222 1.00 11.23 C ATOM 1414 CG LEU A 96 24.434 47.157 -46.777 1.00 54.15 C ATOM 1415 CD1 LEU A 96 23.214 46.699 -45.995 1.00 12.31 C ATOM 1416 CD2 LEU A 96 24.667 46.259 -47.982 1.00 11.35 C ATOM 0 H LEU A 96 24.423 51.087 -47.591 1.00 75.11 H new ATOM 0 HA LEU A 96 23.402 49.425 -45.446 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.354 48.704 -47.794 1.00 11.23 H new ATOM 0 HB3 LEU A 96 25.097 48.859 -47.898 1.00 11.23 H new ATOM 0 HG LEU A 96 25.302 47.088 -46.121 1.00 54.15 H new ATOM 0 HD11 LEU A 96 23.347 45.661 -45.689 1.00 12.31 H new ATOM 0 HD12 LEU A 96 23.092 47.325 -45.111 1.00 12.31 H new ATOM 0 HD13 LEU A 96 22.327 46.781 -46.623 1.00 12.31 H new ATOM 0 HD21 LEU A 96 24.776 45.226 -47.651 1.00 11.35 H new ATOM 0 HD22 LEU A 96 23.818 46.334 -48.661 1.00 11.35 H new ATOM 0 HD23 LEU A 96 25.574 46.572 -48.499 1.00 11.35 H new ATOM 1428 N ASN A 97 25.403 49.676 -43.970 1.00 24.34 N ATOM 1429 CA ASN A 97 26.560 49.674 -43.096 1.00 24.31 C ATOM 1430 C ASN A 97 26.644 48.370 -42.321 1.00 43.41 C ATOM 1431 O ASN A 97 26.043 48.218 -41.256 1.00 33.42 O ATOM 1432 CB ASN A 97 26.502 50.869 -42.144 1.00 32.34 C ATOM 1433 CG ASN A 97 27.719 50.969 -41.242 1.00 4.11 C ATOM 1434 OD1 ASN A 97 28.822 50.548 -41.601 1.00 11.22 O ATOM 1435 ND2 ASN A 97 27.523 51.553 -40.069 1.00 2.51 N ATOM 0 H ASN A 97 24.508 49.771 -43.490 1.00 24.34 H new ATOM 0 HA ASN A 97 27.459 49.761 -43.706 1.00 24.31 H new ATOM 0 HB2 ASN A 97 26.412 51.786 -42.726 1.00 32.34 H new ATOM 0 HB3 ASN A 97 25.606 50.793 -41.528 1.00 32.34 H new ATOM 0 HD21 ASN A 97 28.302 51.670 -39.421 1.00 2.51 H new ATOM 0 HD22 ASN A 97 26.593 51.886 -39.814 1.00 2.51 H new ATOM 1442 N VAL A 98 27.365 47.415 -42.883 1.00 45.14 N ATOM 1443 CA VAL A 98 27.589 46.142 -42.223 1.00 72.02 C ATOM 1444 C VAL A 98 28.742 46.262 -41.240 1.00 15.31 C ATOM 1445 O VAL A 98 29.906 46.400 -41.627 1.00 42.35 O ATOM 1446 CB VAL A 98 27.873 45.000 -43.233 1.00 44.14 C ATOM 1447 CG1 VAL A 98 28.503 43.800 -42.544 1.00 50.42 C ATOM 1448 CG2 VAL A 98 26.593 44.577 -43.936 1.00 24.02 C ATOM 0 H VAL A 98 27.807 47.499 -43.799 1.00 45.14 H new ATOM 0 HA VAL A 98 26.674 45.887 -41.689 1.00 72.02 H new ATOM 0 HB VAL A 98 28.577 45.382 -43.973 1.00 44.14 H new ATOM 0 HG11 VAL A 98 28.690 43.016 -43.278 1.00 50.42 H new ATOM 0 HG12 VAL A 98 29.445 44.098 -42.083 1.00 50.42 H new ATOM 0 HG13 VAL A 98 27.826 43.424 -41.776 1.00 50.42 H new ATOM 0 HG21 VAL A 98 26.813 43.775 -44.641 1.00 24.02 H new ATOM 0 HG22 VAL A 98 25.872 44.225 -43.198 1.00 24.02 H new ATOM 0 HG23 VAL A 98 26.175 45.428 -44.474 1.00 24.02 H new ATOM 1458 N THR A 99 28.404 46.246 -39.970 1.00 13.53 N ATOM 1459 CA THR A 99 29.398 46.252 -38.927 1.00 63.52 C ATOM 1460 C THR A 99 29.745 44.817 -38.570 1.00 34.14 C ATOM 1461 O THR A 99 28.905 44.072 -38.060 1.00 52.04 O ATOM 1462 CB THR A 99 28.886 47.010 -37.692 1.00 15.12 C ATOM 1463 OG1 THR A 99 28.399 48.296 -38.092 1.00 32.14 O ATOM 1464 CG2 THR A 99 29.990 47.180 -36.659 1.00 64.32 C ATOM 0 H THR A 99 27.440 46.229 -39.636 1.00 13.53 H new ATOM 0 HA THR A 99 30.292 46.765 -39.281 1.00 63.52 H new ATOM 0 HB THR A 99 28.081 46.431 -37.239 1.00 15.12 H new ATOM 0 HG1 THR A 99 28.070 48.780 -37.306 1.00 32.14 H new ATOM 0 HG21 THR A 99 29.601 47.719 -35.796 1.00 64.32 H new ATOM 0 HG22 THR A 99 30.347 46.200 -36.343 1.00 64.32 H new ATOM 0 HG23 THR A 99 30.814 47.743 -37.097 1.00 64.32 H new ATOM 1472 N ASP A 100 30.964 44.420 -38.897 1.00 61.11 N ATOM 1473 CA ASP A 100 31.409 43.056 -38.668 1.00 23.41 C ATOM 1474 C ASP A 100 31.376 42.709 -37.187 1.00 63.40 C ATOM 1475 O ASP A 100 31.835 43.479 -36.345 1.00 62.23 O ATOM 1476 CB ASP A 100 32.815 42.854 -39.224 1.00 14.41 C ATOM 1477 CG ASP A 100 33.379 41.493 -38.894 1.00 53.52 C ATOM 1478 OD1 ASP A 100 34.579 41.415 -38.584 1.00 4.12 O ATOM 1479 OD2 ASP A 100 32.617 40.506 -38.910 1.00 11.31 O1- ATOM 0 H ASP A 100 31.665 45.026 -39.323 1.00 61.11 H new ATOM 0 HA ASP A 100 30.723 42.388 -39.189 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.796 42.983 -40.306 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.475 43.624 -38.823 1.00 14.41 H new ATOM 1484 N ARG A 101 30.826 41.544 -36.886 1.00 1.22 N ATOM 1485 CA ARG A 101 30.686 41.085 -35.511 1.00 70.42 C ATOM 1486 C ARG A 101 31.861 40.189 -35.125 1.00 41.44 C ATOM 1487 O ARG A 101 32.012 39.806 -33.966 1.00 3.54 O ATOM 1488 CB ARG A 101 29.340 40.354 -35.341 1.00 70.04 C ATOM 1489 CG ARG A 101 29.112 39.218 -36.330 1.00 12.41 C ATOM 1490 CD ARG A 101 29.836 37.943 -35.922 1.00 13.24 C ATOM 1491 NE ARG A 101 29.803 36.939 -36.983 1.00 14.53 N ATOM 1492 CZ ARG A 101 29.754 35.626 -36.770 1.00 32.32 C ATOM 1493 NH1 ARG A 101 29.735 35.146 -35.532 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 29.734 34.793 -37.802 1.00 52.25 N ATOM 0 H ARG A 101 30.465 40.892 -37.583 1.00 1.22 H new ATOM 0 HA ARG A 101 30.695 41.945 -34.841 1.00 70.42 H new ATOM 0 HB2 ARG A 101 29.282 39.955 -34.328 1.00 70.04 H new ATOM 0 HB3 ARG A 101 28.532 41.078 -35.445 1.00 70.04 H new ATOM 0 HG2 ARG A 101 28.044 39.017 -36.409 1.00 12.41 H new ATOM 0 HG3 ARG A 101 29.452 39.526 -37.319 1.00 12.41 H new ATOM 0 HD2 ARG A 101 30.871 38.176 -35.674 1.00 13.24 H new ATOM 0 HD3 ARG A 101 29.376 37.536 -35.021 1.00 13.24 H new ATOM 0 HE ARG A 101 29.819 37.265 -37.949 1.00 14.53 H new ATOM 0 HH11 ARG A 101 29.758 35.785 -34.737 1.00 20.33 H new ATOM 0 HH12 ARG A 101 29.697 34.139 -35.376 1.00 20.33 H new ATOM 0 HH21 ARG A 101 29.756 35.159 -38.754 1.00 52.25 H new ATOM 0 HH22 ARG A 101 29.696 33.786 -37.644 1.00 52.25 H new ATOM 1508 N LYS A 102 32.688 39.854 -36.113 1.00 25.22 N ATOM 1509 CA LYS A 102 33.844 38.994 -35.890 1.00 51.24 C ATOM 1510 C LYS A 102 35.053 39.821 -35.459 1.00 24.03 C ATOM 1511 O LYS A 102 35.454 39.798 -34.297 1.00 61.52 O ATOM 1512 CB LYS A 102 34.173 38.206 -37.163 1.00 63.24 C ATOM 1513 CG LYS A 102 33.042 37.300 -37.626 1.00 64.00 C ATOM 1514 CD LYS A 102 33.327 36.677 -38.985 1.00 42.35 C ATOM 1515 CE LYS A 102 33.378 37.727 -40.084 1.00 32.33 C ATOM 1516 NZ LYS A 102 33.584 37.120 -41.426 1.00 73.14 N1+ ATOM 0 H LYS A 102 32.577 40.167 -37.077 1.00 25.22 H new ATOM 0 HA LYS A 102 33.601 38.292 -35.093 1.00 51.24 H new ATOM 0 HB2 LYS A 102 34.417 38.907 -37.962 1.00 63.24 H new ATOM 0 HB3 LYS A 102 35.063 37.602 -36.987 1.00 63.24 H new ATOM 0 HG2 LYS A 102 32.887 36.510 -36.891 1.00 64.00 H new ATOM 0 HG3 LYS A 102 32.117 37.874 -37.678 1.00 64.00 H new ATOM 0 HD2 LYS A 102 34.276 36.142 -38.948 1.00 42.35 H new ATOM 0 HD3 LYS A 102 32.556 35.943 -39.218 1.00 42.35 H new ATOM 0 HE2 LYS A 102 32.450 38.298 -40.083 1.00 32.33 H new ATOM 0 HE3 LYS A 102 34.185 38.430 -39.876 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 33.006 37.625 -42.128 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 34.588 37.191 -41.689 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 33.302 36.119 -41.401 1.00 73.14 H new ATOM 1530 N THR A 103 35.615 40.569 -36.395 1.00 32.11 N ATOM 1531 CA THR A 103 36.782 41.393 -36.125 1.00 65.25 C ATOM 1532 C THR A 103 36.368 42.833 -35.848 1.00 51.12 C ATOM 1533 O THR A 103 37.045 43.555 -35.110 1.00 72.12 O ATOM 1534 CB THR A 103 37.776 41.355 -37.304 1.00 3.51 C ATOM 1535 OG1 THR A 103 37.129 41.762 -38.519 1.00 71.14 O ATOM 1536 CG2 THR A 103 38.352 39.960 -37.482 1.00 15.44 C ATOM 0 H THR A 103 35.278 40.622 -37.356 1.00 32.11 H new ATOM 0 HA THR A 103 37.276 40.987 -35.242 1.00 65.25 H new ATOM 0 HB THR A 103 38.588 42.046 -37.078 1.00 3.51 H new ATOM 0 HG1 THR A 103 36.176 41.912 -38.348 1.00 71.14 H new ATOM 0 HG21 THR A 103 39.050 39.959 -38.319 1.00 15.44 H new ATOM 0 HG22 THR A 103 38.875 39.664 -36.573 1.00 15.44 H new ATOM 0 HG23 THR A 103 37.544 39.256 -37.682 1.00 15.44 H new ATOM 1544 N GLY A 104 35.252 43.242 -36.441 1.00 65.24 N ATOM 1545 CA GLY A 104 34.727 44.575 -36.211 1.00 42.41 C ATOM 1546 C GLY A 104 35.018 45.527 -37.352 1.00 24.42 C ATOM 1547 O GLY A 104 35.022 46.746 -37.170 1.00 13.23 O ATOM 0 H GLY A 104 34.699 42.671 -37.080 1.00 65.24 H new ATOM 0 HA2 GLY A 104 33.649 44.515 -36.061 1.00 42.41 H new ATOM 0 HA3 GLY A 104 35.155 44.975 -35.292 1.00 42.41 H new ATOM 1551 N GLN A 105 35.255 44.975 -38.530 1.00 51.35 N ATOM 1552 CA GLN A 105 35.505 45.779 -39.715 1.00 72.04 C ATOM 1553 C GLN A 105 34.209 46.416 -40.214 1.00 12.40 C ATOM 1554 O GLN A 105 33.181 45.745 -40.330 1.00 64.30 O ATOM 1555 CB GLN A 105 36.139 44.916 -40.809 1.00 71.44 C ATOM 1556 CG GLN A 105 37.552 44.462 -40.479 1.00 11.23 C ATOM 1557 CD GLN A 105 38.095 43.457 -41.476 1.00 44.43 C ATOM 1558 OE1 GLN A 105 38.680 43.826 -42.495 1.00 42.45 O ATOM 1559 NE2 GLN A 105 37.934 42.181 -41.174 1.00 23.32 N ATOM 0 H GLN A 105 35.280 43.968 -38.692 1.00 51.35 H new ATOM 0 HA GLN A 105 36.198 46.579 -39.456 1.00 72.04 H new ATOM 0 HB2 GLN A 105 35.514 44.039 -40.977 1.00 71.44 H new ATOM 0 HB3 GLN A 105 36.155 45.480 -41.742 1.00 71.44 H new ATOM 0 HG2 GLN A 105 38.210 45.330 -40.450 1.00 11.23 H new ATOM 0 HG3 GLN A 105 37.563 44.021 -39.482 1.00 11.23 H new ATOM 0 HE21 GLN A 105 37.443 41.917 -40.320 1.00 23.32 H new ATOM 0 HE22 GLN A 105 38.301 41.460 -41.795 1.00 23.32 H new ATOM 1568 N THR A 106 34.254 47.710 -40.489 1.00 25.35 N ATOM 1569 CA THR A 106 33.073 48.439 -40.924 1.00 43.25 C ATOM 1570 C THR A 106 32.949 48.452 -42.444 1.00 44.11 C ATOM 1571 O THR A 106 33.728 49.102 -43.143 1.00 33.22 O ATOM 1572 CB THR A 106 33.083 49.884 -40.385 1.00 61.32 C ATOM 1573 OG1 THR A 106 34.397 50.447 -40.505 1.00 1.35 O ATOM 1574 CG2 THR A 106 32.642 49.922 -38.930 1.00 5.13 C ATOM 0 H THR A 106 35.098 48.278 -40.418 1.00 25.35 H new ATOM 0 HA THR A 106 32.208 47.917 -40.515 1.00 43.25 H new ATOM 0 HB THR A 106 32.382 50.472 -40.977 1.00 61.32 H new ATOM 0 HG1 THR A 106 34.766 50.232 -41.387 1.00 1.35 H new ATOM 0 HG21 THR A 106 32.657 50.951 -38.572 1.00 5.13 H new ATOM 0 HG22 THR A 106 31.631 49.523 -38.846 1.00 5.13 H new ATOM 0 HG23 THR A 106 33.321 49.319 -38.328 1.00 5.13 H new ATOM 1582 N SER A 107 31.976 47.711 -42.950 1.00 30.10 N ATOM 1583 CA SER A 107 31.712 47.685 -44.374 1.00 71.15 C ATOM 1584 C SER A 107 30.581 48.659 -44.695 1.00 42.21 C ATOM 1585 O SER A 107 29.405 48.290 -44.709 1.00 53.14 O ATOM 1586 CB SER A 107 31.357 46.267 -44.838 1.00 62.32 C ATOM 1587 OG SER A 107 31.371 46.169 -46.254 1.00 35.01 O ATOM 0 H SER A 107 31.358 47.121 -42.393 1.00 30.10 H new ATOM 0 HA SER A 107 32.611 47.991 -44.909 1.00 71.15 H new ATOM 0 HB2 SER A 107 32.066 45.555 -44.415 1.00 62.32 H new ATOM 0 HB3 SER A 107 30.371 45.995 -44.462 1.00 62.32 H new ATOM 0 HG SER A 107 31.143 45.254 -46.521 1.00 35.01 H new ATOM 1593 N THR A 108 30.948 49.917 -44.900 1.00 61.34 N ATOM 1594 CA THR A 108 29.985 50.959 -45.208 1.00 45.01 C ATOM 1595 C THR A 108 29.809 51.101 -46.718 1.00 51.14 C ATOM 1596 O THR A 108 30.680 51.631 -47.413 1.00 24.12 O ATOM 1597 CB THR A 108 30.430 52.308 -44.605 1.00 51.54 C ATOM 1598 OG1 THR A 108 30.584 52.186 -43.181 1.00 42.23 O ATOM 1599 CG2 THR A 108 29.424 53.406 -44.918 1.00 12.31 C ATOM 0 H THR A 108 31.915 50.240 -44.857 1.00 61.34 H new ATOM 0 HA THR A 108 29.030 50.674 -44.767 1.00 45.01 H new ATOM 0 HB THR A 108 31.387 52.578 -45.053 1.00 51.54 H new ATOM 0 HG1 THR A 108 29.882 51.602 -42.825 1.00 42.23 H new ATOM 0 HG21 THR A 108 29.763 54.345 -44.481 1.00 12.31 H new ATOM 0 HG22 THR A 108 29.334 53.520 -45.998 1.00 12.31 H new ATOM 0 HG23 THR A 108 28.453 53.140 -44.499 1.00 12.31 H new ATOM 1607 N ILE A 109 28.691 50.601 -47.221 1.00 13.34 N ATOM 1608 CA ILE A 109 28.401 50.649 -48.645 1.00 55.11 C ATOM 1609 C ILE A 109 27.172 51.514 -48.911 1.00 14.15 C ATOM 1610 O ILE A 109 26.045 51.107 -48.632 1.00 1.14 O ATOM 1611 CB ILE A 109 28.158 49.235 -49.214 1.00 61.20 C ATOM 1612 CG1 ILE A 109 29.326 48.309 -48.855 1.00 73.01 C ATOM 1613 CG2 ILE A 109 27.975 49.299 -50.726 1.00 4.42 C ATOM 1614 CD1 ILE A 109 29.104 46.867 -49.259 1.00 12.41 C ATOM 0 H ILE A 109 27.966 50.155 -46.660 1.00 13.34 H new ATOM 0 HA ILE A 109 29.269 51.084 -49.141 1.00 55.11 H new ATOM 0 HB ILE A 109 27.248 48.832 -48.771 1.00 61.20 H new ATOM 0 HG12 ILE A 109 30.232 48.677 -49.337 1.00 73.01 H new ATOM 0 HG13 ILE A 109 29.497 48.354 -47.779 1.00 73.01 H new ATOM 0 HG21 ILE A 109 27.804 48.295 -51.115 1.00 4.42 H new ATOM 0 HG22 ILE A 109 27.118 49.930 -50.962 1.00 4.42 H new ATOM 0 HG23 ILE A 109 28.871 49.718 -51.184 1.00 4.42 H new ATOM 0 HD11 ILE A 109 29.971 46.272 -48.973 1.00 12.41 H new ATOM 0 HD12 ILE A 109 28.217 46.481 -48.757 1.00 12.41 H new ATOM 0 HD13 ILE A 109 28.964 46.809 -50.338 1.00 12.41 H new ATOM 1626 N GLN A 110 27.391 52.716 -49.423 1.00 42.43 N ATOM 1627 CA GLN A 110 26.286 53.585 -49.800 1.00 3.53 C ATOM 1628 C GLN A 110 25.581 53.024 -51.025 1.00 10.22 C ATOM 1629 O GLN A 110 26.230 52.609 -51.984 1.00 61.10 O ATOM 1630 CB GLN A 110 26.777 55.002 -50.088 1.00 51.25 C ATOM 1631 CG GLN A 110 27.365 55.703 -48.877 1.00 2.41 C ATOM 1632 CD GLN A 110 27.712 57.149 -49.168 1.00 4.14 C ATOM 1633 OE1 GLN A 110 27.078 57.790 -50.005 1.00 23.33 O ATOM 1634 NE2 GLN A 110 28.711 57.674 -48.478 1.00 32.10 N ATOM 0 H GLN A 110 28.318 53.110 -49.586 1.00 42.43 H new ATOM 0 HA GLN A 110 25.586 53.628 -48.966 1.00 3.53 H new ATOM 0 HB2 GLN A 110 27.530 54.963 -50.875 1.00 51.25 H new ATOM 0 HB3 GLN A 110 25.946 55.594 -50.471 1.00 51.25 H new ATOM 0 HG2 GLN A 110 26.653 55.660 -48.053 1.00 2.41 H new ATOM 0 HG3 GLN A 110 28.261 55.174 -48.552 1.00 2.41 H new ATOM 0 HE21 GLN A 110 29.211 57.107 -47.793 1.00 32.10 H new ATOM 0 HE22 GLN A 110 28.981 58.646 -48.631 1.00 32.10 H new ATOM 1643 N VAL A 111 24.260 52.996 -50.984 1.00 22.34 N ATOM 1644 CA VAL A 111 23.475 52.482 -52.093 1.00 74.24 C ATOM 1645 C VAL A 111 23.176 53.602 -53.084 1.00 21.00 C ATOM 1646 O VAL A 111 22.209 54.351 -52.927 1.00 75.11 O ATOM 1647 CB VAL A 111 22.155 51.846 -51.606 1.00 73.33 C ATOM 1648 CG1 VAL A 111 21.370 51.263 -52.770 1.00 13.23 C ATOM 1649 CG2 VAL A 111 22.433 50.777 -50.561 1.00 44.35 C ATOM 0 H VAL A 111 23.707 53.324 -50.192 1.00 22.34 H new ATOM 0 HA VAL A 111 24.061 51.706 -52.585 1.00 74.24 H new ATOM 0 HB VAL A 111 21.550 52.629 -51.149 1.00 73.33 H new ATOM 0 HG11 VAL A 111 20.445 50.821 -52.400 1.00 13.23 H new ATOM 0 HG12 VAL A 111 21.135 52.054 -53.483 1.00 13.23 H new ATOM 0 HG13 VAL A 111 21.967 50.496 -53.263 1.00 13.23 H new ATOM 0 HG21 VAL A 111 21.492 50.339 -50.229 1.00 44.35 H new ATOM 0 HG22 VAL A 111 23.062 49.999 -50.994 1.00 44.35 H new ATOM 0 HG23 VAL A 111 22.945 51.225 -49.710 1.00 44.35 H new