USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=13 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 97 ASN : amide:sc= 0.807 K(o=1.7,f=-1.3) USER MOD Set 1.2: A 108 THR OG1 : rot -28:sc= 0.85 USER MOD Set 2.1: A 56 GLN : amide:sc= 0.172 K(o=0.18,f=-0.84) USER MOD Set 2.2: A 59 GLN : amide:sc= 0.00619 X(o=0.18,f=0.15) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -73:sc= 0.334 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.041) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 71:sc= 1.27 USER MOD Single : A 61 GLN : amide:sc= -0.956 K(o=-0.96,f=-0.0018) USER MOD Single : A 68 SER OG : rot 26:sc= 0.891 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 78 MET CE :methyl -158:sc= -0.128 (180deg=-0.686) USER MOD Single : A 80 THR OG1 : rot 89:sc= 1.02 USER MOD Single : A 81 ASN : amide:sc= 1.17 K(o=1.2,f=-0.048) USER MOD Single : A 83 TYR OH : rot -110:sc= 1.02 USER MOD Single : A 89 ASN : amide:sc= -0.509 K(o=-0.51,f=-8.6!) USER MOD Single : A 93 GLN : amide:sc= 0.335 X(o=0.34,f=-0.029) USER MOD Single : A 95 GLN : amide:sc= -1.17 K(o=-1.2,f=-0.013) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.0114 USER MOD Single : A 105 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.13) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD ----------------------------------------------------------------- ATOM 659 N GLU A 46 35.864 43.157 -23.991 1.00 65.21 N ATOM 660 CA GLU A 46 34.934 43.588 -22.951 1.00 41.54 C ATOM 661 C GLU A 46 35.617 44.465 -21.909 1.00 5.12 C ATOM 662 O GLU A 46 34.982 44.921 -20.960 1.00 43.23 O ATOM 663 CB GLU A 46 34.305 42.371 -22.287 1.00 55.55 C ATOM 664 CG GLU A 46 33.472 41.539 -23.242 1.00 14.53 C ATOM 665 CD GLU A 46 33.077 40.207 -22.655 1.00 0.14 C ATOM 666 OE1 GLU A 46 32.047 40.142 -21.955 1.00 65.32 O ATOM 667 OE2 GLU A 46 33.796 39.214 -22.893 1.00 5.55 O1- ATOM 0 HA GLU A 46 34.156 44.189 -23.423 1.00 41.54 H new ATOM 0 HB2 GLU A 46 35.092 41.748 -21.863 1.00 55.55 H new ATOM 0 HB3 GLU A 46 33.678 42.700 -21.458 1.00 55.55 H new ATOM 0 HG2 GLU A 46 32.574 42.094 -23.513 1.00 14.53 H new ATOM 0 HG3 GLU A 46 34.035 41.375 -24.161 1.00 14.53 H new ATOM 674 N THR A 47 36.909 44.692 -22.088 1.00 53.34 N ATOM 675 CA THR A 47 37.648 45.608 -21.239 1.00 11.21 C ATOM 676 C THR A 47 38.154 46.782 -22.075 1.00 2.33 C ATOM 677 O THR A 47 39.271 46.749 -22.601 1.00 31.14 O ATOM 678 CB THR A 47 38.830 44.914 -20.536 1.00 14.13 C ATOM 679 OG1 THR A 47 38.366 43.752 -19.840 1.00 60.32 O ATOM 680 CG2 THR A 47 39.512 45.853 -19.551 1.00 31.14 C ATOM 0 H THR A 47 37.468 44.251 -22.818 1.00 53.34 H new ATOM 0 HA THR A 47 36.972 45.967 -20.463 1.00 11.21 H new ATOM 0 HB THR A 47 39.554 44.626 -21.298 1.00 14.13 H new ATOM 0 HG1 THR A 47 39.121 43.313 -19.396 1.00 60.32 H new ATOM 0 HG21 THR A 47 40.342 45.336 -19.070 1.00 31.14 H new ATOM 0 HG22 THR A 47 39.888 46.727 -20.083 1.00 31.14 H new ATOM 0 HG23 THR A 47 38.795 46.170 -18.794 1.00 31.14 H new ATOM 688 N PRO A 48 37.313 47.816 -22.244 1.00 63.35 N ATOM 689 CA PRO A 48 37.621 48.966 -23.095 1.00 21.13 C ATOM 690 C PRO A 48 38.852 49.723 -22.619 1.00 23.22 C ATOM 691 O PRO A 48 38.810 50.439 -21.617 1.00 30.10 O ATOM 692 CB PRO A 48 36.370 49.849 -22.996 1.00 72.10 C ATOM 693 CG PRO A 48 35.300 48.954 -22.478 1.00 2.42 C ATOM 694 CD PRO A 48 35.995 47.953 -21.603 1.00 3.12 C ATOM 0 HA PRO A 48 37.852 48.660 -24.116 1.00 21.13 H new ATOM 0 HB2 PRO A 48 36.536 50.693 -22.326 1.00 72.10 H new ATOM 0 HB3 PRO A 48 36.101 50.262 -23.968 1.00 72.10 H new ATOM 0 HG2 PRO A 48 34.557 49.518 -21.914 1.00 2.42 H new ATOM 0 HG3 PRO A 48 34.773 48.461 -23.295 1.00 2.42 H new ATOM 0 HD2 PRO A 48 36.080 48.305 -20.575 1.00 3.12 H new ATOM 0 HD3 PRO A 48 35.460 47.004 -21.571 1.00 3.12 H new ATOM 702 N SER A 49 39.949 49.534 -23.333 1.00 1.52 N ATOM 703 CA SER A 49 41.195 50.207 -23.019 1.00 71.45 C ATOM 704 C SER A 49 41.828 50.773 -24.289 1.00 5.40 C ATOM 705 O SER A 49 41.766 51.976 -24.545 1.00 55.33 O ATOM 706 CB SER A 49 42.142 49.226 -22.330 1.00 4.01 C ATOM 707 OG SER A 49 42.161 47.983 -23.017 1.00 52.25 O ATOM 0 H SER A 49 40.000 48.914 -24.141 1.00 1.52 H new ATOM 0 HA SER A 49 40.997 51.039 -22.344 1.00 71.45 H new ATOM 0 HB2 SER A 49 43.148 49.645 -22.298 1.00 4.01 H new ATOM 0 HB3 SER A 49 41.827 49.072 -21.298 1.00 4.01 H new ATOM 0 HG SER A 49 41.324 47.502 -22.846 1.00 52.25 H new ATOM 713 N ALA A 50 42.419 49.900 -25.093 1.00 4.34 N ATOM 714 CA ALA A 50 43.011 50.309 -26.361 1.00 71.23 C ATOM 715 C ALA A 50 41.926 50.662 -27.371 1.00 52.43 C ATOM 716 O ALA A 50 42.071 51.601 -28.153 1.00 63.35 O ATOM 717 CB ALA A 50 43.907 49.210 -26.909 1.00 52.42 C ATOM 0 H ALA A 50 42.502 48.904 -24.891 1.00 4.34 H new ATOM 0 HA ALA A 50 43.619 51.196 -26.184 1.00 71.23 H new ATOM 0 HB1 ALA A 50 44.341 49.532 -27.856 1.00 52.42 H new ATOM 0 HB2 ALA A 50 44.705 49.002 -26.196 1.00 52.42 H new ATOM 0 HB3 ALA A 50 43.319 48.306 -27.068 1.00 52.42 H new ATOM 723 N LEU A 51 40.836 49.908 -27.335 1.00 14.24 N ATOM 724 CA LEU A 51 39.717 50.112 -28.247 1.00 65.24 C ATOM 725 C LEU A 51 38.621 50.940 -27.583 1.00 54.11 C ATOM 726 O LEU A 51 37.523 51.085 -28.124 1.00 73.42 O ATOM 727 CB LEU A 51 39.173 48.751 -28.700 1.00 34.13 C ATOM 728 CG LEU A 51 38.832 47.771 -27.573 1.00 14.14 C ATOM 729 CD1 LEU A 51 37.412 47.980 -27.069 1.00 42.24 C ATOM 730 CD2 LEU A 51 39.029 46.338 -28.040 1.00 32.32 C ATOM 0 H LEU A 51 40.702 49.141 -26.676 1.00 14.24 H new ATOM 0 HA LEU A 51 40.065 50.664 -29.120 1.00 65.24 H new ATOM 0 HB2 LEU A 51 38.276 48.918 -29.297 1.00 34.13 H new ATOM 0 HB3 LEU A 51 39.909 48.284 -29.354 1.00 34.13 H new ATOM 0 HG LEU A 51 39.511 47.964 -26.742 1.00 14.14 H new ATOM 0 HD11 LEU A 51 37.201 47.269 -26.270 1.00 42.24 H new ATOM 0 HD12 LEU A 51 37.307 48.996 -26.688 1.00 42.24 H new ATOM 0 HD13 LEU A 51 36.709 47.825 -27.887 1.00 42.24 H new ATOM 0 HD21 LEU A 51 38.783 45.654 -27.228 1.00 32.32 H new ATOM 0 HD22 LEU A 51 38.378 46.140 -28.892 1.00 32.32 H new ATOM 0 HD23 LEU A 51 40.068 46.191 -28.336 1.00 32.32 H new ATOM 742 N ASP A 52 38.940 51.494 -26.416 1.00 2.23 N ATOM 743 CA ASP A 52 37.972 52.258 -25.630 1.00 12.25 C ATOM 744 C ASP A 52 37.438 53.442 -26.418 1.00 34.31 C ATOM 745 O ASP A 52 36.230 53.598 -26.576 1.00 33.15 O ATOM 746 CB ASP A 52 38.605 52.753 -24.328 1.00 5.20 C ATOM 747 CG ASP A 52 37.650 53.587 -23.497 1.00 62.52 C ATOM 748 OD1 ASP A 52 36.686 53.023 -22.943 1.00 12.41 O ATOM 749 OD2 ASP A 52 37.867 54.809 -23.375 1.00 63.02 O1- ATOM 0 H ASP A 52 39.865 51.428 -25.991 1.00 2.23 H new ATOM 0 HA ASP A 52 37.142 51.592 -25.395 1.00 12.25 H new ATOM 0 HB2 ASP A 52 38.939 51.897 -23.742 1.00 5.20 H new ATOM 0 HB3 ASP A 52 39.491 53.345 -24.561 1.00 5.20 H new ATOM 754 N ASN A 53 38.349 54.250 -26.938 1.00 61.25 N ATOM 755 CA ASN A 53 37.972 55.462 -27.660 1.00 42.12 C ATOM 756 C ASN A 53 37.160 55.110 -28.899 1.00 63.01 C ATOM 757 O ASN A 53 36.172 55.772 -29.216 1.00 23.25 O ATOM 758 CB ASN A 53 39.210 56.266 -28.070 1.00 44.53 C ATOM 759 CG ASN A 53 40.100 56.631 -26.895 1.00 73.01 C ATOM 760 OD1 ASN A 53 41.025 55.894 -26.549 1.00 72.42 O ATOM 761 ND2 ASN A 53 39.830 57.766 -26.268 1.00 31.23 N ATOM 0 H ASN A 53 39.355 54.091 -26.875 1.00 61.25 H new ATOM 0 HA ASN A 53 37.365 56.073 -26.992 1.00 42.12 H new ATOM 0 HB2 ASN A 53 39.789 55.688 -28.791 1.00 44.53 H new ATOM 0 HB3 ASN A 53 38.892 57.178 -28.575 1.00 44.53 H new ATOM 0 HD21 ASN A 53 40.396 58.055 -25.470 1.00 31.23 H new ATOM 0 HD22 ASN A 53 39.056 58.351 -26.583 1.00 31.23 H new ATOM 768 N PHE A 54 37.577 54.049 -29.579 1.00 22.14 N ATOM 769 CA PHE A 54 36.928 53.605 -30.803 1.00 43.23 C ATOM 770 C PHE A 54 35.459 53.246 -30.570 1.00 0.30 C ATOM 771 O PHE A 54 34.565 53.901 -31.100 1.00 51.31 O ATOM 772 CB PHE A 54 37.682 52.404 -31.386 1.00 64.13 C ATOM 773 CG PHE A 54 37.105 51.878 -32.670 1.00 32.43 C ATOM 774 CD1 PHE A 54 37.195 52.616 -33.837 1.00 20.25 C ATOM 775 CD2 PHE A 54 36.482 50.640 -32.709 1.00 52.44 C ATOM 776 CE1 PHE A 54 36.671 52.133 -35.019 1.00 74.25 C ATOM 777 CE2 PHE A 54 35.955 50.153 -33.888 1.00 41.13 C ATOM 778 CZ PHE A 54 36.050 50.899 -35.046 1.00 1.54 C ATOM 0 H PHE A 54 38.372 53.475 -29.298 1.00 22.14 H new ATOM 0 HA PHE A 54 36.954 54.431 -31.514 1.00 43.23 H new ATOM 0 HB2 PHE A 54 38.720 52.689 -31.557 1.00 64.13 H new ATOM 0 HB3 PHE A 54 37.690 51.601 -30.649 1.00 64.13 H new ATOM 0 HD1 PHE A 54 37.681 53.581 -33.823 1.00 20.25 H new ATOM 0 HD2 PHE A 54 36.408 50.050 -31.807 1.00 52.44 H new ATOM 0 HE1 PHE A 54 36.746 52.720 -35.923 1.00 74.25 H new ATOM 0 HE2 PHE A 54 35.469 49.189 -33.905 1.00 41.13 H new ATOM 0 HZ PHE A 54 35.640 50.519 -35.970 1.00 1.54 H new ATOM 788 N THR A 55 35.214 52.225 -29.757 1.00 75.41 N ATOM 789 CA THR A 55 33.864 51.700 -29.585 1.00 62.12 C ATOM 790 C THR A 55 32.959 52.686 -28.843 1.00 21.25 C ATOM 791 O THR A 55 31.732 52.601 -28.932 1.00 1.24 O ATOM 792 CB THR A 55 33.867 50.337 -28.854 1.00 4.21 C ATOM 793 OG1 THR A 55 32.536 49.805 -28.795 1.00 21.43 O ATOM 794 CG2 THR A 55 34.422 50.464 -27.442 1.00 4.31 C ATOM 0 H THR A 55 35.928 51.746 -29.209 1.00 75.41 H new ATOM 0 HA THR A 55 33.463 51.553 -30.588 1.00 62.12 H new ATOM 0 HB THR A 55 34.510 49.661 -29.418 1.00 4.21 H new ATOM 0 HG1 THR A 55 32.549 48.941 -28.332 1.00 21.43 H new ATOM 0 HG21 THR A 55 34.410 49.488 -26.957 1.00 4.31 H new ATOM 0 HG22 THR A 55 35.446 50.835 -27.486 1.00 4.31 H new ATOM 0 HG23 THR A 55 33.808 51.161 -26.871 1.00 4.31 H new ATOM 802 N GLN A 56 33.558 53.630 -28.133 1.00 32.54 N ATOM 803 CA GLN A 56 32.791 54.626 -27.394 1.00 40.22 C ATOM 804 C GLN A 56 32.358 55.757 -28.316 1.00 42.31 C ATOM 805 O GLN A 56 31.253 56.288 -28.186 1.00 33.50 O ATOM 806 CB GLN A 56 33.599 55.173 -26.215 1.00 24.31 C ATOM 807 CG GLN A 56 33.249 54.526 -24.882 1.00 3.12 C ATOM 808 CD GLN A 56 33.302 53.011 -24.925 1.00 23.51 C ATOM 809 OE1 GLN A 56 32.311 52.354 -25.239 1.00 22.43 O ATOM 810 NE2 GLN A 56 34.445 52.442 -24.589 1.00 51.20 N ATOM 0 H GLN A 56 34.570 53.729 -28.052 1.00 32.54 H new ATOM 0 HA GLN A 56 31.899 54.142 -26.997 1.00 40.22 H new ATOM 0 HB2 GLN A 56 34.661 55.025 -26.413 1.00 24.31 H new ATOM 0 HB3 GLN A 56 33.435 56.248 -26.141 1.00 24.31 H new ATOM 0 HG2 GLN A 56 33.938 54.886 -24.118 1.00 3.12 H new ATOM 0 HG3 GLN A 56 32.249 54.840 -24.584 1.00 3.12 H new ATOM 0 HE21 GLN A 56 35.246 53.019 -24.334 1.00 51.20 H new ATOM 0 HE22 GLN A 56 34.527 51.425 -24.584 1.00 51.20 H new ATOM 819 N ALA A 57 33.224 56.107 -29.261 1.00 43.12 N ATOM 820 CA ALA A 57 32.900 57.121 -30.252 1.00 74.22 C ATOM 821 C ALA A 57 31.773 56.640 -31.158 1.00 13.44 C ATOM 822 O ALA A 57 30.972 57.436 -31.649 1.00 44.41 O ATOM 823 CB ALA A 57 34.127 57.476 -31.077 1.00 32.32 C ATOM 0 H ALA A 57 34.155 55.702 -29.360 1.00 43.12 H new ATOM 0 HA ALA A 57 32.566 58.017 -29.728 1.00 74.22 H new ATOM 0 HB1 ALA A 57 33.863 58.236 -31.812 1.00 32.32 H new ATOM 0 HB2 ALA A 57 34.908 57.861 -30.421 1.00 32.32 H new ATOM 0 HB3 ALA A 57 34.491 56.586 -31.590 1.00 32.32 H new ATOM 829 N ILE A 58 31.712 55.329 -31.367 1.00 52.41 N ATOM 830 CA ILE A 58 30.654 54.732 -32.171 1.00 43.42 C ATOM 831 C ILE A 58 29.322 54.815 -31.440 1.00 42.32 C ATOM 832 O ILE A 58 28.312 55.209 -32.010 1.00 2.22 O ATOM 833 CB ILE A 58 30.947 53.258 -32.514 1.00 4.31 C ATOM 834 CG1 ILE A 58 32.361 53.122 -33.081 1.00 33.32 C ATOM 835 CG2 ILE A 58 29.914 52.732 -33.503 1.00 22.11 C ATOM 836 CD1 ILE A 58 32.662 51.757 -33.658 1.00 75.03 C ATOM 0 H ILE A 58 32.384 54.660 -30.990 1.00 52.41 H new ATOM 0 HA ILE A 58 30.607 55.297 -33.102 1.00 43.42 H new ATOM 0 HB ILE A 58 30.883 52.662 -31.604 1.00 4.31 H new ATOM 0 HG12 ILE A 58 32.504 53.873 -33.858 1.00 33.32 H new ATOM 0 HG13 ILE A 58 33.081 53.339 -32.292 1.00 33.32 H new ATOM 0 HG21 ILE A 58 30.132 51.690 -33.737 1.00 22.11 H new ATOM 0 HG22 ILE A 58 28.919 52.805 -33.063 1.00 22.11 H new ATOM 0 HG23 ILE A 58 29.951 53.325 -34.417 1.00 22.11 H new ATOM 0 HD11 ILE A 58 33.683 51.740 -34.040 1.00 75.03 H new ATOM 0 HD12 ILE A 58 32.553 51.001 -32.880 1.00 75.03 H new ATOM 0 HD13 ILE A 58 31.967 51.544 -34.471 1.00 75.03 H new ATOM 848 N GLN A 59 29.322 54.465 -30.164 1.00 20.32 N ATOM 849 CA GLN A 59 28.107 54.549 -29.366 1.00 43.14 C ATOM 850 C GLN A 59 27.677 56.007 -29.199 1.00 30.01 C ATOM 851 O GLN A 59 26.521 56.299 -28.904 1.00 22.32 O ATOM 852 CB GLN A 59 28.302 53.876 -28.006 1.00 0.24 C ATOM 853 CG GLN A 59 28.562 52.381 -28.110 1.00 33.03 C ATOM 854 CD GLN A 59 28.554 51.684 -26.764 1.00 32.54 C ATOM 855 OE1 GLN A 59 27.510 51.234 -26.295 1.00 24.13 O ATOM 856 NE2 GLN A 59 29.713 51.579 -26.136 1.00 51.23 N ATOM 0 H GLN A 59 30.141 54.123 -29.661 1.00 20.32 H new ATOM 0 HA GLN A 59 27.313 54.017 -29.891 1.00 43.14 H new ATOM 0 HB2 GLN A 59 29.138 54.349 -27.490 1.00 0.24 H new ATOM 0 HB3 GLN A 59 27.415 54.042 -27.395 1.00 0.24 H new ATOM 0 HG2 GLN A 59 27.805 51.930 -28.751 1.00 33.03 H new ATOM 0 HG3 GLN A 59 29.526 52.218 -28.592 1.00 33.03 H new ATOM 0 HE21 GLN A 59 30.558 51.965 -26.557 1.00 51.23 H new ATOM 0 HE22 GLN A 59 29.762 51.112 -25.231 1.00 51.23 H new ATOM 865 N SER A 60 28.611 56.920 -29.428 1.00 51.04 N ATOM 866 CA SER A 60 28.330 58.346 -29.350 1.00 11.41 C ATOM 867 C SER A 60 27.739 58.878 -30.662 1.00 54.31 C ATOM 868 O SER A 60 27.385 60.052 -30.755 1.00 71.15 O ATOM 869 CB SER A 60 29.606 59.116 -29.007 1.00 73.34 C ATOM 870 OG SER A 60 30.121 58.726 -27.744 1.00 3.51 O ATOM 0 H SER A 60 29.576 56.696 -29.671 1.00 51.04 H new ATOM 0 HA SER A 60 27.591 58.495 -28.563 1.00 11.41 H new ATOM 0 HB2 SER A 60 30.357 58.941 -29.778 1.00 73.34 H new ATOM 0 HB3 SER A 60 29.397 60.186 -29.002 1.00 73.34 H new ATOM 0 HG SER A 60 30.491 57.821 -27.807 1.00 3.51 H new ATOM 876 N GLN A 61 27.630 58.022 -31.676 1.00 30.10 N ATOM 877 CA GLN A 61 27.026 58.433 -32.939 1.00 24.42 C ATOM 878 C GLN A 61 25.631 57.827 -33.075 1.00 14.32 C ATOM 879 O GLN A 61 24.916 58.087 -34.041 1.00 1.12 O ATOM 880 CB GLN A 61 27.904 58.024 -34.133 1.00 64.21 C ATOM 881 CG GLN A 61 27.780 56.560 -34.534 1.00 32.32 C ATOM 882 CD GLN A 61 28.665 56.188 -35.712 1.00 64.01 C ATOM 883 OE1 GLN A 61 28.324 55.309 -36.503 1.00 52.54 O ATOM 884 NE2 GLN A 61 29.811 56.842 -35.833 1.00 61.52 N ATOM 0 H GLN A 61 27.947 57.053 -31.649 1.00 30.10 H new ATOM 0 HA GLN A 61 26.944 59.520 -32.939 1.00 24.42 H new ATOM 0 HB2 GLN A 61 27.644 58.646 -34.990 1.00 64.21 H new ATOM 0 HB3 GLN A 61 28.946 58.235 -33.891 1.00 64.21 H new ATOM 0 HG2 GLN A 61 28.038 55.933 -33.681 1.00 32.32 H new ATOM 0 HG3 GLN A 61 26.741 56.345 -34.785 1.00 32.32 H new ATOM 0 HE21 GLN A 61 30.060 57.565 -35.157 1.00 61.52 H new ATOM 0 HE22 GLN A 61 30.445 56.623 -36.602 1.00 61.52 H new ATOM 893 N ILE A 62 25.247 57.029 -32.083 1.00 25.21 N ATOM 894 CA ILE A 62 23.968 56.328 -32.110 1.00 60.23 C ATOM 895 C ILE A 62 22.818 57.280 -31.784 1.00 4.22 C ATOM 896 O ILE A 62 21.708 57.125 -32.293 1.00 73.53 O ATOM 897 CB ILE A 62 23.964 55.143 -31.115 1.00 31.41 C ATOM 898 CG1 ILE A 62 25.108 54.173 -31.435 1.00 75.12 C ATOM 899 CG2 ILE A 62 22.626 54.416 -31.135 1.00 11.33 C ATOM 900 CD1 ILE A 62 25.049 53.590 -32.835 1.00 54.33 C ATOM 0 H ILE A 62 25.806 56.852 -31.248 1.00 25.21 H new ATOM 0 HA ILE A 62 23.828 55.939 -33.118 1.00 60.23 H new ATOM 0 HB ILE A 62 24.115 55.542 -30.112 1.00 31.41 H new ATOM 0 HG12 ILE A 62 26.058 54.693 -31.309 1.00 75.12 H new ATOM 0 HG13 ILE A 62 25.092 53.358 -30.712 1.00 75.12 H new ATOM 0 HG21 ILE A 62 22.651 53.588 -30.427 1.00 11.33 H new ATOM 0 HG22 ILE A 62 21.832 55.108 -30.856 1.00 11.33 H new ATOM 0 HG23 ILE A 62 22.436 54.031 -32.137 1.00 11.33 H new ATOM 0 HD11 ILE A 62 25.891 52.915 -32.984 1.00 54.33 H new ATOM 0 HD12 ILE A 62 24.116 53.040 -32.961 1.00 54.33 H new ATOM 0 HD13 ILE A 62 25.097 54.396 -33.567 1.00 54.33 H new ATOM 912 N LEU A 63 23.107 58.287 -30.966 1.00 64.35 N ATOM 913 CA LEU A 63 22.088 59.236 -30.525 1.00 53.53 C ATOM 914 C LEU A 63 21.497 59.971 -31.726 1.00 34.31 C ATOM 915 O LEU A 63 20.282 60.151 -31.826 1.00 74.53 O ATOM 916 CB LEU A 63 22.662 60.257 -29.527 1.00 24.15 C ATOM 917 CG LEU A 63 23.403 59.686 -28.307 1.00 14.34 C ATOM 918 CD1 LEU A 63 22.696 58.460 -27.748 1.00 52.54 C ATOM 919 CD2 LEU A 63 24.849 59.359 -28.645 1.00 61.01 C ATOM 0 H LEU A 63 24.039 58.468 -30.594 1.00 64.35 H new ATOM 0 HA LEU A 63 21.305 58.669 -30.021 1.00 53.53 H new ATOM 0 HB2 LEU A 63 23.347 60.912 -30.066 1.00 24.15 H new ATOM 0 HB3 LEU A 63 21.843 60.879 -29.167 1.00 24.15 H new ATOM 0 HG LEU A 63 23.398 60.457 -27.537 1.00 14.34 H new ATOM 0 HD11 LEU A 63 23.248 58.083 -26.887 1.00 52.54 H new ATOM 0 HD12 LEU A 63 21.686 58.731 -27.442 1.00 52.54 H new ATOM 0 HD13 LEU A 63 22.648 57.687 -28.515 1.00 52.54 H new ATOM 0 HD21 LEU A 63 25.347 58.957 -27.763 1.00 61.01 H new ATOM 0 HD22 LEU A 63 24.877 58.620 -29.446 1.00 61.01 H new ATOM 0 HD23 LEU A 63 25.361 60.265 -28.969 1.00 61.01 H new ATOM 931 N GLY A 64 22.370 60.393 -32.634 1.00 54.14 N ATOM 932 CA GLY A 64 21.924 61.027 -33.859 1.00 43.53 C ATOM 933 C GLY A 64 21.562 60.004 -34.917 1.00 42.50 C ATOM 934 O GLY A 64 20.660 60.226 -35.723 1.00 45.41 O ATOM 0 H GLY A 64 23.382 60.306 -32.542 1.00 54.14 H new ATOM 0 HA2 GLY A 64 21.059 61.656 -33.650 1.00 43.53 H new ATOM 0 HA3 GLY A 64 22.710 61.681 -34.238 1.00 43.53 H new ATOM 938 N GLY A 65 22.259 58.868 -34.893 1.00 25.24 N ATOM 939 CA GLY A 65 22.009 57.804 -35.855 1.00 5.50 C ATOM 940 C GLY A 65 20.611 57.228 -35.745 1.00 33.53 C ATOM 941 O GLY A 65 20.085 56.667 -36.709 1.00 11.34 O ATOM 0 H GLY A 65 22.997 58.665 -34.219 1.00 25.24 H new ATOM 0 HA2 GLY A 65 22.160 58.190 -36.863 1.00 5.50 H new ATOM 0 HA3 GLY A 65 22.738 57.007 -35.706 1.00 5.50 H new ATOM 945 N LEU A 66 20.011 57.362 -34.567 1.00 53.33 N ATOM 946 CA LEU A 66 18.637 56.929 -34.345 1.00 72.23 C ATOM 947 C LEU A 66 17.712 57.600 -35.359 1.00 34.12 C ATOM 948 O LEU A 66 16.833 56.958 -35.939 1.00 33.03 O ATOM 949 CB LEU A 66 18.216 57.263 -32.903 1.00 31.31 C ATOM 950 CG LEU A 66 16.855 56.715 -32.444 1.00 64.21 C ATOM 951 CD1 LEU A 66 16.828 56.580 -30.930 1.00 22.03 C ATOM 952 CD2 LEU A 66 15.714 57.617 -32.898 1.00 65.03 C ATOM 0 H LEU A 66 20.459 57.770 -33.746 1.00 53.33 H new ATOM 0 HA LEU A 66 18.565 55.850 -34.482 1.00 72.23 H new ATOM 0 HB2 LEU A 66 18.982 56.884 -32.227 1.00 31.31 H new ATOM 0 HB3 LEU A 66 18.202 58.347 -32.794 1.00 31.31 H new ATOM 0 HG LEU A 66 16.720 55.734 -32.900 1.00 64.21 H new ATOM 0 HD11 LEU A 66 15.859 56.191 -30.617 1.00 22.03 H new ATOM 0 HD12 LEU A 66 17.614 55.895 -30.612 1.00 22.03 H new ATOM 0 HD13 LEU A 66 16.991 57.557 -30.475 1.00 22.03 H new ATOM 0 HD21 LEU A 66 14.765 57.202 -32.558 1.00 65.03 H new ATOM 0 HD22 LEU A 66 15.847 58.613 -32.475 1.00 65.03 H new ATOM 0 HD23 LEU A 66 15.712 57.682 -33.986 1.00 65.03 H new ATOM 964 N LEU A 67 17.958 58.882 -35.615 1.00 53.21 N ATOM 965 CA LEU A 67 17.134 59.655 -36.538 1.00 64.45 C ATOM 966 C LEU A 67 17.528 59.386 -37.989 1.00 60.43 C ATOM 967 O LEU A 67 17.133 60.114 -38.895 1.00 44.24 O ATOM 968 CB LEU A 67 17.233 61.158 -36.238 1.00 51.43 C ATOM 969 CG LEU A 67 16.573 61.621 -34.932 1.00 3.00 C ATOM 970 CD1 LEU A 67 17.430 61.271 -33.725 1.00 70.32 C ATOM 971 CD2 LEU A 67 16.303 63.116 -34.979 1.00 22.21 C ATOM 0 H LEU A 67 18.724 59.408 -35.194 1.00 53.21 H new ATOM 0 HA LEU A 67 16.101 59.338 -36.396 1.00 64.45 H new ATOM 0 HB2 LEU A 67 18.287 61.435 -36.209 1.00 51.43 H new ATOM 0 HB3 LEU A 67 16.782 61.705 -37.066 1.00 51.43 H new ATOM 0 HG LEU A 67 15.624 61.095 -34.829 1.00 3.00 H new ATOM 0 HD11 LEU A 67 16.935 61.612 -32.816 1.00 70.32 H new ATOM 0 HD12 LEU A 67 17.569 60.191 -33.679 1.00 70.32 H new ATOM 0 HD13 LEU A 67 18.401 61.759 -33.814 1.00 70.32 H new ATOM 0 HD21 LEU A 67 15.835 63.431 -34.046 1.00 22.21 H new ATOM 0 HD22 LEU A 67 17.243 63.652 -35.112 1.00 22.21 H new ATOM 0 HD23 LEU A 67 15.637 63.339 -35.813 1.00 22.21 H new ATOM 983 N SER A 68 18.317 58.343 -38.200 1.00 40.32 N ATOM 984 CA SER A 68 18.668 57.902 -39.538 1.00 11.31 C ATOM 985 C SER A 68 18.106 56.500 -39.782 1.00 75.02 C ATOM 986 O SER A 68 17.914 56.079 -40.925 1.00 75.11 O ATOM 987 CB SER A 68 20.192 57.918 -39.718 1.00 0.14 C ATOM 988 OG SER A 68 20.560 57.618 -41.053 1.00 4.11 O ATOM 0 H SER A 68 18.728 57.783 -37.453 1.00 40.32 H new ATOM 0 HA SER A 68 18.233 58.584 -40.268 1.00 11.31 H new ATOM 0 HB2 SER A 68 20.582 58.898 -39.444 1.00 0.14 H new ATOM 0 HB3 SER A 68 20.647 57.194 -39.042 1.00 0.14 H new ATOM 0 HG SER A 68 19.828 57.862 -41.657 1.00 4.11 H new ATOM 994 N ASN A 69 17.821 55.788 -38.692 1.00 22.22 N ATOM 995 CA ASN A 69 17.269 54.439 -38.778 1.00 3.21 C ATOM 996 C ASN A 69 15.755 54.492 -38.957 1.00 33.23 C ATOM 997 O ASN A 69 15.153 53.602 -39.558 1.00 41.32 O ATOM 998 CB ASN A 69 17.621 53.649 -37.509 1.00 53.44 C ATOM 999 CG ASN A 69 17.099 52.221 -37.515 1.00 25.14 C ATOM 1000 OD1 ASN A 69 16.970 51.587 -38.563 1.00 41.35 O ATOM 1001 ND2 ASN A 69 16.789 51.707 -36.333 1.00 2.13 N ATOM 0 H ASN A 69 17.964 56.124 -37.740 1.00 22.22 H new ATOM 0 HA ASN A 69 17.703 53.938 -39.643 1.00 3.21 H new ATOM 0 HB2 ASN A 69 18.705 53.630 -37.392 1.00 53.44 H new ATOM 0 HB3 ASN A 69 17.216 54.171 -36.642 1.00 53.44 H new ATOM 0 HD21 ASN A 69 16.430 50.755 -36.269 1.00 2.13 H new ATOM 0 HD22 ASN A 69 16.910 52.264 -35.487 1.00 2.13 H new ATOM 1008 N ILE A 70 15.153 55.570 -38.470 1.00 71.41 N ATOM 1009 CA ILE A 70 13.705 55.735 -38.527 1.00 54.25 C ATOM 1010 C ILE A 70 13.280 56.313 -39.882 1.00 15.54 C ATOM 1011 O ILE A 70 12.091 56.412 -40.192 1.00 23.53 O ATOM 1012 CB ILE A 70 13.207 56.650 -37.375 1.00 3.10 C ATOM 1013 CG1 ILE A 70 13.759 56.168 -36.027 1.00 23.53 C ATOM 1014 CG2 ILE A 70 11.684 56.690 -37.321 1.00 12.32 C ATOM 1015 CD1 ILE A 70 13.352 54.753 -35.662 1.00 42.43 C ATOM 0 H ILE A 70 15.647 56.346 -38.029 1.00 71.41 H new ATOM 0 HA ILE A 70 13.250 54.752 -38.408 1.00 54.25 H new ATOM 0 HB ILE A 70 13.573 57.657 -37.573 1.00 3.10 H new ATOM 0 HG12 ILE A 70 14.847 56.227 -36.050 1.00 23.53 H new ATOM 0 HG13 ILE A 70 13.419 56.846 -35.244 1.00 23.53 H new ATOM 0 HG21 ILE A 70 11.366 57.338 -36.505 1.00 12.32 H new ATOM 0 HG22 ILE A 70 11.297 57.077 -38.264 1.00 12.32 H new ATOM 0 HG23 ILE A 70 11.299 55.684 -37.156 1.00 12.32 H new ATOM 0 HD11 ILE A 70 13.782 54.488 -34.696 1.00 42.43 H new ATOM 0 HD12 ILE A 70 12.265 54.690 -35.604 1.00 42.43 H new ATOM 0 HD13 ILE A 70 13.715 54.062 -36.423 1.00 42.43 H new ATOM 1129 N MET A 78 19.122 42.505 -41.559 1.00 12.00 N ATOM 1130 CA MET A 78 19.529 41.132 -41.308 1.00 2.03 C ATOM 1131 C MET A 78 20.322 41.047 -40.013 1.00 70.13 C ATOM 1132 O MET A 78 21.421 41.595 -39.902 1.00 44.34 O ATOM 1133 CB MET A 78 20.347 40.572 -42.476 1.00 63.14 C ATOM 1134 CG MET A 78 20.822 39.142 -42.250 1.00 52.15 C ATOM 1135 SD MET A 78 21.651 38.442 -43.691 1.00 73.31 S ATOM 1136 CE MET A 78 20.299 38.396 -44.866 1.00 35.54 C ATOM 0 HA MET A 78 18.629 40.525 -41.211 1.00 2.03 H new ATOM 0 HB2 MET A 78 19.743 40.608 -43.383 1.00 63.14 H new ATOM 0 HB3 MET A 78 21.213 41.213 -42.644 1.00 63.14 H new ATOM 0 HG2 MET A 78 21.503 39.121 -41.399 1.00 52.15 H new ATOM 0 HG3 MET A 78 19.967 38.517 -41.990 1.00 52.15 H new ATOM 0 HE1 MET A 78 20.515 37.661 -45.641 1.00 35.54 H new ATOM 0 HE2 MET A 78 19.379 38.120 -44.351 1.00 35.54 H new ATOM 0 HE3 MET A 78 20.179 39.379 -45.322 1.00 35.54 H new ATOM 1146 N VAL A 79 19.748 40.375 -39.029 1.00 63.22 N ATOM 1147 CA VAL A 79 20.398 40.216 -37.741 1.00 53.31 C ATOM 1148 C VAL A 79 21.145 38.888 -37.698 1.00 34.33 C ATOM 1149 O VAL A 79 20.616 37.872 -37.238 1.00 23.05 O ATOM 1150 CB VAL A 79 19.388 40.285 -36.573 1.00 51.15 C ATOM 1151 CG1 VAL A 79 20.113 40.292 -35.232 1.00 62.34 C ATOM 1152 CG2 VAL A 79 18.496 41.513 -36.703 1.00 20.14 C ATOM 0 H VAL A 79 18.832 39.931 -39.099 1.00 63.22 H new ATOM 0 HA VAL A 79 21.101 41.041 -37.622 1.00 53.31 H new ATOM 0 HB VAL A 79 18.758 39.397 -36.618 1.00 51.15 H new ATOM 0 HG11 VAL A 79 19.383 40.341 -34.424 1.00 62.34 H new ATOM 0 HG12 VAL A 79 20.704 39.381 -35.133 1.00 62.34 H new ATOM 0 HG13 VAL A 79 20.772 41.159 -35.179 1.00 62.34 H new ATOM 0 HG21 VAL A 79 17.793 41.542 -35.871 1.00 20.14 H new ATOM 0 HG22 VAL A 79 19.111 42.413 -36.689 1.00 20.14 H new ATOM 0 HG23 VAL A 79 17.945 41.465 -37.642 1.00 20.14 H new ATOM 1162 N THR A 80 22.359 38.895 -38.223 1.00 24.24 N ATOM 1163 CA THR A 80 23.191 37.705 -38.247 1.00 43.31 C ATOM 1164 C THR A 80 23.810 37.470 -36.867 1.00 22.22 C ATOM 1165 O THR A 80 23.556 38.230 -35.929 1.00 20.53 O ATOM 1166 CB THR A 80 24.297 37.841 -39.311 1.00 4.42 C ATOM 1167 OG1 THR A 80 23.906 38.821 -40.281 1.00 23.43 O ATOM 1168 CG2 THR A 80 24.549 36.513 -40.016 1.00 23.11 C ATOM 0 H THR A 80 22.792 39.718 -38.641 1.00 24.24 H new ATOM 0 HA THR A 80 22.568 36.849 -38.505 1.00 43.31 H new ATOM 0 HB THR A 80 25.216 38.148 -38.811 1.00 4.42 H new ATOM 0 HG1 THR A 80 24.208 39.707 -39.991 1.00 23.43 H new ATOM 0 HG21 THR A 80 25.334 36.640 -40.761 1.00 23.11 H new ATOM 0 HG22 THR A 80 24.859 35.766 -39.285 1.00 23.11 H new ATOM 0 HG23 THR A 80 23.634 36.182 -40.506 1.00 23.11 H new ATOM 1176 N ASN A 81 24.612 36.426 -36.736 1.00 12.13 N ATOM 1177 CA ASN A 81 25.203 36.091 -35.448 1.00 13.33 C ATOM 1178 C ASN A 81 26.321 37.065 -35.101 1.00 53.52 C ATOM 1179 O ASN A 81 26.333 37.648 -34.018 1.00 72.31 O ATOM 1180 CB ASN A 81 25.732 34.656 -35.453 1.00 31.34 C ATOM 1181 CG ASN A 81 26.059 34.155 -34.058 1.00 23.22 C ATOM 1182 OD1 ASN A 81 25.189 33.631 -33.362 1.00 55.05 O ATOM 1183 ND2 ASN A 81 27.306 34.293 -33.642 1.00 51.02 N ATOM 0 H ASN A 81 24.868 35.799 -37.499 1.00 12.13 H new ATOM 0 HA ASN A 81 24.426 36.170 -34.688 1.00 13.33 H new ATOM 0 HB2 ASN A 81 24.990 34.000 -35.907 1.00 31.34 H new ATOM 0 HB3 ASN A 81 26.626 34.603 -36.074 1.00 31.34 H new ATOM 0 HD21 ASN A 81 27.575 33.960 -32.716 1.00 51.02 H new ATOM 0 HD22 ASN A 81 28.000 34.732 -34.247 1.00 51.02 H new ATOM 1190 N ASP A 82 27.259 37.246 -36.023 1.00 32.11 N ATOM 1191 CA ASP A 82 28.390 38.144 -35.790 1.00 24.13 C ATOM 1192 C ASP A 82 28.475 39.227 -36.850 1.00 61.51 C ATOM 1193 O ASP A 82 29.517 39.858 -37.024 1.00 75.51 O ATOM 1194 CB ASP A 82 29.706 37.362 -35.744 1.00 23.52 C ATOM 1195 CG ASP A 82 29.808 36.481 -34.520 1.00 72.21 C ATOM 1196 OD1 ASP A 82 30.034 37.014 -33.413 1.00 63.25 O ATOM 1197 OD2 ASP A 82 29.654 35.251 -34.653 1.00 30.43 O1- ATOM 0 H ASP A 82 27.262 36.787 -36.934 1.00 32.11 H new ATOM 0 HA ASP A 82 28.224 38.623 -34.825 1.00 24.13 H new ATOM 0 HB2 ASP A 82 29.792 36.747 -36.640 1.00 23.52 H new ATOM 0 HB3 ASP A 82 30.542 38.061 -35.756 1.00 23.52 H new ATOM 1202 N TYR A 83 27.376 39.454 -37.550 1.00 2.10 N ATOM 1203 CA TYR A 83 27.319 40.502 -38.558 1.00 61.22 C ATOM 1204 C TYR A 83 26.035 41.303 -38.438 1.00 25.13 C ATOM 1205 O TYR A 83 24.945 40.794 -38.697 1.00 35.42 O ATOM 1206 CB TYR A 83 27.443 39.917 -39.966 1.00 22.35 C ATOM 1207 CG TYR A 83 28.867 39.625 -40.367 1.00 63.34 C ATOM 1208 CD1 TYR A 83 29.395 38.347 -40.265 1.00 54.31 C ATOM 1209 CD2 TYR A 83 29.684 40.639 -40.845 1.00 61.31 C ATOM 1210 CE1 TYR A 83 30.705 38.088 -40.624 1.00 54.50 C ATOM 1211 CE2 TYR A 83 30.990 40.390 -41.207 1.00 43.02 C ATOM 1212 CZ TYR A 83 31.496 39.113 -41.099 1.00 0.23 C ATOM 1213 OH TYR A 83 32.804 38.869 -41.447 1.00 35.22 O ATOM 0 H TYR A 83 26.510 38.927 -37.439 1.00 2.10 H new ATOM 0 HA TYR A 83 28.162 41.170 -38.385 1.00 61.22 H new ATOM 0 HB2 TYR A 83 26.861 38.997 -40.022 1.00 22.35 H new ATOM 0 HB3 TYR A 83 27.007 40.614 -40.681 1.00 22.35 H new ATOM 0 HD1 TYR A 83 28.774 37.542 -39.900 1.00 54.31 H new ATOM 0 HD2 TYR A 83 29.290 41.640 -40.935 1.00 61.31 H new ATOM 0 HE1 TYR A 83 31.106 37.089 -40.533 1.00 54.50 H new ATOM 0 HE2 TYR A 83 31.614 41.192 -41.574 1.00 43.02 H new ATOM 0 HH TYR A 83 33.400 39.295 -40.797 1.00 35.22 H new ATOM 1223 N ILE A 84 26.172 42.553 -38.033 1.00 71.04 N ATOM 1224 CA ILE A 84 25.030 43.443 -37.923 1.00 33.43 C ATOM 1225 C ILE A 84 24.973 44.349 -39.145 1.00 24.33 C ATOM 1226 O ILE A 84 25.784 45.266 -39.292 1.00 13.30 O ATOM 1227 CB ILE A 84 25.072 44.310 -36.636 1.00 35.11 C ATOM 1228 CG1 ILE A 84 25.112 43.440 -35.368 1.00 70.51 C ATOM 1229 CG2 ILE A 84 23.868 45.245 -36.592 1.00 63.41 C ATOM 1230 CD1 ILE A 84 26.480 42.879 -35.037 1.00 21.15 C ATOM 0 H ILE A 84 27.064 42.975 -37.775 1.00 71.04 H new ATOM 0 HA ILE A 84 24.137 42.821 -37.866 1.00 33.43 H new ATOM 0 HB ILE A 84 25.987 44.902 -36.664 1.00 35.11 H new ATOM 0 HG12 ILE A 84 24.762 44.034 -34.523 1.00 70.51 H new ATOM 0 HG13 ILE A 84 24.413 42.613 -35.488 1.00 70.51 H new ATOM 0 HG21 ILE A 84 23.908 45.848 -35.685 1.00 63.41 H new ATOM 0 HG22 ILE A 84 23.883 45.899 -37.464 1.00 63.41 H new ATOM 0 HG23 ILE A 84 22.950 44.657 -36.596 1.00 63.41 H new ATOM 0 HD11 ILE A 84 26.417 42.279 -34.129 1.00 21.15 H new ATOM 0 HD12 ILE A 84 26.827 42.256 -35.861 1.00 21.15 H new ATOM 0 HD13 ILE A 84 27.182 43.699 -34.882 1.00 21.15 H new ATOM 1242 N VAL A 85 24.038 44.068 -40.039 1.00 45.21 N ATOM 1243 CA VAL A 85 23.890 44.852 -41.251 1.00 41.00 C ATOM 1244 C VAL A 85 22.524 45.527 -41.288 1.00 52.13 C ATOM 1245 O VAL A 85 21.482 44.869 -41.207 1.00 43.50 O ATOM 1246 CB VAL A 85 24.111 43.990 -42.522 1.00 62.43 C ATOM 1247 CG1 VAL A 85 23.192 42.778 -42.547 1.00 1.04 C ATOM 1248 CG2 VAL A 85 23.931 44.831 -43.776 1.00 64.33 C ATOM 0 H VAL A 85 23.371 43.302 -39.946 1.00 45.21 H new ATOM 0 HA VAL A 85 24.660 45.623 -41.241 1.00 41.00 H new ATOM 0 HB VAL A 85 25.136 43.620 -42.496 1.00 62.43 H new ATOM 0 HG11 VAL A 85 23.377 42.200 -43.452 1.00 1.04 H new ATOM 0 HG12 VAL A 85 23.386 42.156 -41.673 1.00 1.04 H new ATOM 0 HG13 VAL A 85 22.153 43.109 -42.534 1.00 1.04 H new ATOM 0 HG21 VAL A 85 24.090 44.209 -44.657 1.00 64.33 H new ATOM 0 HG22 VAL A 85 22.921 45.240 -43.798 1.00 64.33 H new ATOM 0 HG23 VAL A 85 24.653 45.648 -43.773 1.00 64.33 H new ATOM 1258 N ASP A 86 22.541 46.847 -41.378 1.00 31.13 N ATOM 1259 CA ASP A 86 21.314 47.624 -41.419 1.00 20.21 C ATOM 1260 C ASP A 86 21.431 48.740 -42.446 1.00 24.31 C ATOM 1261 O ASP A 86 22.455 49.429 -42.519 1.00 74.51 O ATOM 1262 CB ASP A 86 21.008 48.212 -40.039 1.00 4.42 C ATOM 1263 CG ASP A 86 19.667 48.914 -39.992 1.00 33.31 C ATOM 1264 OD1 ASP A 86 18.679 48.287 -39.558 1.00 21.44 O ATOM 1265 OD2 ASP A 86 19.588 50.089 -40.395 1.00 45.22 O1- ATOM 0 H ASP A 86 23.394 47.404 -41.424 1.00 31.13 H new ATOM 0 HA ASP A 86 20.496 46.963 -41.707 1.00 20.21 H new ATOM 0 HB2 ASP A 86 21.023 47.414 -39.296 1.00 4.42 H new ATOM 0 HB3 ASP A 86 21.793 48.917 -39.766 1.00 4.42 H new ATOM 1270 N ILE A 87 20.393 48.902 -43.251 1.00 70.13 N ATOM 1271 CA ILE A 87 20.373 49.944 -44.260 1.00 11.31 C ATOM 1272 C ILE A 87 19.777 51.223 -43.681 1.00 5.45 C ATOM 1273 O ILE A 87 18.556 51.340 -43.526 1.00 31.44 O ATOM 1274 CB ILE A 87 19.570 49.523 -45.509 1.00 73.15 C ATOM 1275 CG1 ILE A 87 20.087 48.183 -46.039 1.00 41.53 C ATOM 1276 CG2 ILE A 87 19.661 50.600 -46.586 1.00 33.35 C ATOM 1277 CD1 ILE A 87 19.310 47.662 -47.229 1.00 31.30 C ATOM 0 H ILE A 87 19.553 48.324 -43.224 1.00 70.13 H new ATOM 0 HA ILE A 87 21.404 50.119 -44.566 1.00 11.31 H new ATOM 0 HB ILE A 87 18.522 49.405 -45.232 1.00 73.15 H new ATOM 0 HG12 ILE A 87 21.135 48.292 -46.319 1.00 41.53 H new ATOM 0 HG13 ILE A 87 20.047 47.445 -45.238 1.00 41.53 H new ATOM 0 HG21 ILE A 87 19.090 50.289 -47.461 1.00 33.35 H new ATOM 0 HG22 ILE A 87 19.254 51.535 -46.201 1.00 33.35 H new ATOM 0 HG23 ILE A 87 20.704 50.746 -46.867 1.00 33.35 H new ATOM 0 HD11 ILE A 87 19.732 46.710 -47.551 1.00 31.30 H new ATOM 0 HD12 ILE A 87 18.266 47.520 -46.948 1.00 31.30 H new ATOM 0 HD13 ILE A 87 19.371 48.381 -48.046 1.00 31.30 H new ATOM 1289 N ALA A 88 20.643 52.160 -43.334 1.00 34.53 N ATOM 1290 CA ALA A 88 20.210 53.441 -42.802 1.00 21.21 C ATOM 1291 C ALA A 88 20.028 54.439 -43.932 1.00 23.43 C ATOM 1292 O ALA A 88 20.619 54.278 -45.003 1.00 54.14 O ATOM 1293 CB ALA A 88 21.220 53.955 -41.787 1.00 40.44 C ATOM 0 H ALA A 88 21.655 52.057 -43.412 1.00 34.53 H new ATOM 0 HA ALA A 88 19.252 53.312 -42.298 1.00 21.21 H new ATOM 0 HB1 ALA A 88 20.885 54.915 -41.395 1.00 40.44 H new ATOM 0 HB2 ALA A 88 21.310 53.240 -40.969 1.00 40.44 H new ATOM 0 HB3 ALA A 88 22.190 54.078 -42.269 1.00 40.44 H new ATOM 1299 N ASN A 89 19.208 55.454 -43.702 1.00 52.24 N ATOM 1300 CA ASN A 89 18.957 56.469 -44.713 1.00 21.13 C ATOM 1301 C ASN A 89 19.194 57.857 -44.136 1.00 22.12 C ATOM 1302 O ASN A 89 18.656 58.208 -43.082 1.00 62.21 O ATOM 1303 CB ASN A 89 17.524 56.350 -45.255 1.00 44.43 C ATOM 1304 CG ASN A 89 17.235 57.270 -46.439 1.00 51.24 C ATOM 1305 OD1 ASN A 89 17.769 58.373 -46.548 1.00 34.21 O ATOM 1306 ND2 ASN A 89 16.393 56.805 -47.349 1.00 52.10 N ATOM 0 H ASN A 89 18.706 55.596 -42.825 1.00 52.24 H new ATOM 0 HA ASN A 89 19.649 56.312 -45.540 1.00 21.13 H new ATOM 0 HB2 ASN A 89 17.344 55.318 -45.556 1.00 44.43 H new ATOM 0 HB3 ASN A 89 16.822 56.575 -44.452 1.00 44.43 H new ATOM 0 HD21 ASN A 89 16.170 57.366 -48.171 1.00 52.10 H new ATOM 0 HD22 ASN A 89 15.968 55.886 -47.228 1.00 52.10 H new ATOM 1313 N ARG A 90 20.015 58.632 -44.819 1.00 34.23 N ATOM 1314 CA ARG A 90 20.262 60.009 -44.439 1.00 61.53 C ATOM 1315 C ARG A 90 20.184 60.910 -45.662 1.00 14.51 C ATOM 1316 O ARG A 90 20.975 60.766 -46.592 1.00 31.12 O ATOM 1317 CB ARG A 90 21.633 60.150 -43.775 1.00 1.00 C ATOM 1318 CG ARG A 90 21.990 61.589 -43.437 1.00 75.44 C ATOM 1319 CD ARG A 90 23.406 61.709 -42.911 1.00 14.21 C ATOM 1320 NE ARG A 90 23.797 63.107 -42.743 1.00 45.22 N ATOM 1321 CZ ARG A 90 24.890 63.500 -42.095 1.00 45.51 C ATOM 1322 NH1 ARG A 90 25.697 62.602 -41.545 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 25.183 64.791 -42.010 1.00 21.12 N ATOM 0 H ARG A 90 20.526 58.327 -45.647 1.00 34.23 H new ATOM 0 HA ARG A 90 19.498 60.310 -43.723 1.00 61.53 H new ATOM 0 HB2 ARG A 90 21.650 59.554 -42.862 1.00 1.00 H new ATOM 0 HB3 ARG A 90 22.395 59.740 -44.438 1.00 1.00 H new ATOM 0 HG2 ARG A 90 21.879 62.210 -44.326 1.00 75.44 H new ATOM 0 HG3 ARG A 90 21.292 61.971 -42.692 1.00 75.44 H new ATOM 0 HD2 ARG A 90 23.486 61.190 -41.956 1.00 14.21 H new ATOM 0 HD3 ARG A 90 24.094 61.218 -43.599 1.00 14.21 H new ATOM 0 HE ARG A 90 23.195 63.825 -43.147 1.00 45.22 H new ATOM 0 HH11 ARG A 90 25.480 61.608 -41.619 1.00 34.45 H new ATOM 0 HH12 ARG A 90 26.535 62.905 -41.049 1.00 34.45 H new ATOM 0 HH21 ARG A 90 24.570 65.483 -42.442 1.00 21.12 H new ATOM 0 HH22 ARG A 90 26.021 65.092 -41.513 1.00 21.12 H new ATOM 1337 N ASP A 91 19.202 61.808 -45.667 1.00 14.33 N ATOM 1338 CA ASP A 91 19.050 62.801 -46.733 1.00 71.02 C ATOM 1339 C ASP A 91 18.794 62.137 -48.081 1.00 43.52 C ATOM 1340 O ASP A 91 19.141 62.683 -49.132 1.00 61.51 O ATOM 1341 CB ASP A 91 20.281 63.712 -46.816 1.00 34.34 C ATOM 1342 CG ASP A 91 20.398 64.630 -45.618 1.00 2.00 C ATOM 1343 OD1 ASP A 91 19.471 65.439 -45.396 1.00 21.24 O ATOM 1344 OD2 ASP A 91 21.418 64.565 -44.901 1.00 32.31 O1- ATOM 0 H ASP A 91 18.492 61.870 -44.938 1.00 14.33 H new ATOM 0 HA ASP A 91 18.182 63.412 -46.485 1.00 71.02 H new ATOM 0 HB2 ASP A 91 21.179 63.099 -46.891 1.00 34.34 H new ATOM 0 HB3 ASP A 91 20.227 64.310 -47.726 1.00 34.34 H new ATOM 1349 N GLY A 92 18.162 60.971 -48.048 1.00 75.32 N ATOM 1350 CA GLY A 92 17.843 60.267 -49.274 1.00 62.34 C ATOM 1351 C GLY A 92 18.994 59.426 -49.775 1.00 52.21 C ATOM 1352 O GLY A 92 19.137 59.201 -50.978 1.00 23.30 O ATOM 0 H GLY A 92 17.865 60.500 -47.193 1.00 75.32 H new ATOM 0 HA2 GLY A 92 16.976 59.628 -49.107 1.00 62.34 H new ATOM 0 HA3 GLY A 92 17.564 60.989 -50.041 1.00 62.34 H new ATOM 1356 N GLN A 93 19.828 58.974 -48.854 1.00 55.42 N ATOM 1357 CA GLN A 93 20.923 58.082 -49.190 1.00 43.03 C ATOM 1358 C GLN A 93 20.765 56.771 -48.444 1.00 53.23 C ATOM 1359 O GLN A 93 20.678 56.753 -47.218 1.00 62.41 O ATOM 1360 CB GLN A 93 22.274 58.720 -48.849 1.00 32.14 C ATOM 1361 CG GLN A 93 22.605 59.944 -49.690 1.00 62.32 C ATOM 1362 CD GLN A 93 22.913 59.605 -51.136 1.00 5.43 C ATOM 1363 OE1 GLN A 93 24.064 59.369 -51.500 1.00 25.23 O ATOM 1364 NE2 GLN A 93 21.888 59.584 -51.972 1.00 33.20 N ATOM 0 H GLN A 93 19.767 59.212 -47.864 1.00 55.42 H new ATOM 0 HA GLN A 93 20.897 57.893 -50.263 1.00 43.03 H new ATOM 0 HB2 GLN A 93 22.276 59.003 -47.796 1.00 32.14 H new ATOM 0 HB3 GLN A 93 23.060 57.977 -48.981 1.00 32.14 H new ATOM 0 HG2 GLN A 93 21.766 60.639 -49.656 1.00 62.32 H new ATOM 0 HG3 GLN A 93 23.461 60.457 -49.253 1.00 62.32 H new ATOM 0 HE21 GLN A 93 20.948 59.785 -51.631 1.00 33.20 H new ATOM 0 HE22 GLN A 93 22.038 59.366 -52.957 1.00 33.20 H new ATOM 1373 N LEU A 94 20.723 55.681 -49.189 1.00 22.14 N ATOM 1374 CA LEU A 94 20.593 54.361 -48.599 1.00 50.31 C ATOM 1375 C LEU A 94 21.966 53.759 -48.393 1.00 43.43 C ATOM 1376 O LEU A 94 22.750 53.646 -49.335 1.00 52.24 O ATOM 1377 CB LEU A 94 19.744 53.439 -49.484 1.00 41.23 C ATOM 1378 CG LEU A 94 18.231 53.689 -49.442 1.00 41.02 C ATOM 1379 CD1 LEU A 94 17.710 53.561 -48.019 1.00 1.43 C ATOM 1380 CD2 LEU A 94 17.889 55.053 -50.016 1.00 42.11 C ATOM 0 H LEU A 94 20.777 55.684 -50.208 1.00 22.14 H new ATOM 0 HA LEU A 94 20.090 54.463 -47.638 1.00 50.31 H new ATOM 0 HB2 LEU A 94 20.083 53.542 -50.515 1.00 41.23 H new ATOM 0 HB3 LEU A 94 19.932 52.407 -49.188 1.00 41.23 H new ATOM 0 HG LEU A 94 17.745 52.933 -50.058 1.00 41.02 H new ATOM 0 HD11 LEU A 94 16.635 53.741 -48.007 1.00 1.43 H new ATOM 0 HD12 LEU A 94 17.913 52.557 -47.646 1.00 1.43 H new ATOM 0 HD13 LEU A 94 18.207 54.293 -47.382 1.00 1.43 H new ATOM 0 HD21 LEU A 94 16.810 55.205 -49.974 1.00 42.11 H new ATOM 0 HD22 LEU A 94 18.388 55.828 -49.434 1.00 42.11 H new ATOM 0 HD23 LEU A 94 18.223 55.106 -51.052 1.00 42.11 H new ATOM 1392 N GLN A 95 22.264 53.400 -47.161 1.00 22.34 N ATOM 1393 CA GLN A 95 23.570 52.870 -46.832 1.00 52.10 C ATOM 1394 C GLN A 95 23.483 51.449 -46.305 1.00 55.53 C ATOM 1395 O GLN A 95 23.038 51.217 -45.179 1.00 20.22 O ATOM 1396 CB GLN A 95 24.264 53.775 -45.818 1.00 54.30 C ATOM 1397 CG GLN A 95 24.593 55.144 -46.380 1.00 4.25 C ATOM 1398 CD GLN A 95 25.407 56.011 -45.440 1.00 5.40 C ATOM 1399 OE1 GLN A 95 25.299 57.234 -45.465 1.00 14.41 O ATOM 1400 NE2 GLN A 95 26.242 55.392 -44.622 1.00 5.31 N ATOM 0 H GLN A 95 21.620 53.466 -46.373 1.00 22.34 H new ATOM 0 HA GLN A 95 24.160 52.843 -47.748 1.00 52.10 H new ATOM 0 HB2 GLN A 95 23.624 53.891 -44.943 1.00 54.30 H new ATOM 0 HB3 GLN A 95 25.183 53.296 -45.479 1.00 54.30 H new ATOM 0 HG2 GLN A 95 25.142 55.021 -47.313 1.00 4.25 H new ATOM 0 HG3 GLN A 95 23.664 55.660 -46.623 1.00 4.25 H new ATOM 0 HE21 GLN A 95 26.303 54.374 -44.631 1.00 5.31 H new ATOM 0 HE22 GLN A 95 26.824 55.933 -43.983 1.00 5.31 H new ATOM 1409 N LEU A 96 23.897 50.503 -47.134 1.00 75.11 N ATOM 1410 CA LEU A 96 24.019 49.118 -46.720 1.00 53.33 C ATOM 1411 C LEU A 96 25.300 48.973 -45.914 1.00 12.32 C ATOM 1412 O LEU A 96 26.366 48.694 -46.457 1.00 51.50 O ATOM 1413 CB LEU A 96 24.041 48.190 -47.942 1.00 11.23 C ATOM 1414 CG LEU A 96 24.148 46.692 -47.643 1.00 54.15 C ATOM 1415 CD1 LEU A 96 22.900 46.194 -46.931 1.00 12.31 C ATOM 1416 CD2 LEU A 96 24.384 45.912 -48.929 1.00 11.35 C ATOM 0 H LEU A 96 24.156 50.674 -48.106 1.00 75.11 H new ATOM 0 HA LEU A 96 23.162 48.836 -46.108 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.133 48.361 -48.520 1.00 11.23 H new ATOM 0 HB3 LEU A 96 24.881 48.475 -48.575 1.00 11.23 H new ATOM 0 HG LEU A 96 24.999 46.532 -46.981 1.00 54.15 H new ATOM 0 HD11 LEU A 96 22.998 45.127 -46.728 1.00 12.31 H new ATOM 0 HD12 LEU A 96 22.778 46.732 -45.991 1.00 12.31 H new ATOM 0 HD13 LEU A 96 22.028 46.365 -47.563 1.00 12.31 H new ATOM 0 HD21 LEU A 96 24.458 44.849 -48.701 1.00 11.35 H new ATOM 0 HD22 LEU A 96 23.553 46.079 -49.614 1.00 11.35 H new ATOM 0 HD23 LEU A 96 25.311 46.249 -49.394 1.00 11.35 H new ATOM 1428 N ASN A 97 25.202 49.223 -44.625 1.00 24.34 N ATOM 1429 CA ASN A 97 26.379 49.284 -43.783 1.00 24.31 C ATOM 1430 C ASN A 97 26.391 48.134 -42.785 1.00 43.41 C ATOM 1431 O ASN A 97 25.554 48.066 -41.881 1.00 33.42 O ATOM 1432 CB ASN A 97 26.420 50.643 -43.082 1.00 32.34 C ATOM 1433 CG ASN A 97 27.682 50.874 -42.277 1.00 4.11 C ATOM 1434 OD1 ASN A 97 28.707 50.230 -42.494 1.00 11.22 O ATOM 1435 ND2 ASN A 97 27.631 51.846 -41.382 1.00 2.51 N ATOM 0 H ASN A 97 24.321 49.387 -44.138 1.00 24.34 H new ATOM 0 HA ASN A 97 27.274 49.179 -44.396 1.00 24.31 H new ATOM 0 HB2 ASN A 97 26.327 51.431 -43.830 1.00 32.34 H new ATOM 0 HB3 ASN A 97 25.557 50.727 -42.421 1.00 32.34 H new ATOM 0 HD21 ASN A 97 28.462 52.086 -40.841 1.00 2.51 H new ATOM 0 HD22 ASN A 97 26.761 52.356 -41.232 1.00 2.51 H new ATOM 1442 N VAL A 98 27.331 47.221 -42.978 1.00 45.14 N ATOM 1443 CA VAL A 98 27.443 46.041 -42.135 1.00 72.02 C ATOM 1444 C VAL A 98 28.654 46.151 -41.209 1.00 15.31 C ATOM 1445 O VAL A 98 29.738 46.566 -41.627 1.00 42.35 O ATOM 1446 CB VAL A 98 27.535 44.749 -42.985 1.00 44.14 C ATOM 1447 CG1 VAL A 98 28.720 44.799 -43.939 1.00 50.42 C ATOM 1448 CG2 VAL A 98 27.603 43.511 -42.101 1.00 24.02 C ATOM 0 H VAL A 98 28.032 47.276 -43.717 1.00 45.14 H new ATOM 0 HA VAL A 98 26.541 45.984 -41.526 1.00 72.02 H new ATOM 0 HB VAL A 98 26.626 44.685 -43.583 1.00 44.14 H new ATOM 0 HG11 VAL A 98 28.757 43.878 -44.521 1.00 50.42 H new ATOM 0 HG12 VAL A 98 28.610 45.650 -44.612 1.00 50.42 H new ATOM 0 HG13 VAL A 98 29.642 44.905 -43.368 1.00 50.42 H new ATOM 0 HG21 VAL A 98 27.667 42.620 -42.726 1.00 24.02 H new ATOM 0 HG22 VAL A 98 28.483 43.569 -41.461 1.00 24.02 H new ATOM 0 HG23 VAL A 98 26.707 43.456 -41.482 1.00 24.02 H new ATOM 1458 N THR A 99 28.456 45.808 -39.948 1.00 13.53 N ATOM 1459 CA THR A 99 29.529 45.846 -38.972 1.00 63.52 C ATOM 1460 C THR A 99 29.824 44.447 -38.435 1.00 34.14 C ATOM 1461 O THR A 99 28.923 43.749 -37.954 1.00 52.04 O ATOM 1462 CB THR A 99 29.172 46.792 -37.807 1.00 15.12 C ATOM 1463 OG1 THR A 99 28.790 48.073 -38.329 1.00 32.14 O ATOM 1464 CG2 THR A 99 30.349 46.962 -36.857 1.00 64.32 C ATOM 0 H THR A 99 27.558 45.499 -39.576 1.00 13.53 H new ATOM 0 HA THR A 99 30.422 46.224 -39.470 1.00 63.52 H new ATOM 0 HB THR A 99 28.343 46.353 -37.252 1.00 15.12 H new ATOM 0 HG1 THR A 99 28.562 48.673 -37.589 1.00 32.14 H new ATOM 0 HG21 THR A 99 30.068 47.634 -36.046 1.00 64.32 H new ATOM 0 HG22 THR A 99 30.627 45.992 -36.445 1.00 64.32 H new ATOM 0 HG23 THR A 99 31.196 47.382 -37.399 1.00 64.32 H new ATOM 1472 N ASP A 100 31.079 44.033 -38.555 1.00 61.11 N ATOM 1473 CA ASP A 100 31.529 42.757 -38.010 1.00 23.41 C ATOM 1474 C ASP A 100 31.581 42.851 -36.490 1.00 63.40 C ATOM 1475 O ASP A 100 32.044 43.853 -35.945 1.00 62.23 O ATOM 1476 CB ASP A 100 32.918 42.413 -38.550 1.00 14.41 C ATOM 1477 CG ASP A 100 33.323 40.967 -38.318 1.00 53.52 C ATOM 1478 OD1 ASP A 100 33.722 40.293 -39.288 1.00 4.12 O ATOM 1479 OD2 ASP A 100 33.281 40.509 -37.163 1.00 11.31 O1- ATOM 0 H ASP A 100 31.808 44.566 -39.028 1.00 61.11 H new ATOM 0 HA ASP A 100 30.832 41.974 -38.308 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.944 42.621 -39.620 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.653 43.067 -38.080 1.00 14.41 H new ATOM 1484 N ARG A 101 31.113 41.815 -35.816 1.00 1.22 N ATOM 1485 CA ARG A 101 31.042 41.810 -34.360 1.00 70.42 C ATOM 1486 C ARG A 101 32.399 41.438 -33.757 1.00 41.44 C ATOM 1487 O ARG A 101 32.740 41.867 -32.653 1.00 3.54 O ATOM 1488 CB ARG A 101 29.954 40.821 -33.912 1.00 70.04 C ATOM 1489 CG ARG A 101 29.446 41.028 -32.492 1.00 12.41 C ATOM 1490 CD ARG A 101 30.402 40.475 -31.446 1.00 13.24 C ATOM 1491 NE ARG A 101 30.591 39.031 -31.581 1.00 14.53 N ATOM 1492 CZ ARG A 101 31.156 38.265 -30.655 1.00 32.32 C ATOM 1493 NH1 ARG A 101 31.684 38.815 -29.565 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 31.219 36.950 -30.833 1.00 52.25 N ATOM 0 H ARG A 101 30.774 40.959 -36.255 1.00 1.22 H new ATOM 0 HA ARG A 101 30.785 42.808 -34.006 1.00 70.42 H new ATOM 0 HB2 ARG A 101 29.111 40.895 -34.599 1.00 70.04 H new ATOM 0 HB3 ARG A 101 30.347 39.808 -33.998 1.00 70.04 H new ATOM 0 HG2 ARG A 101 29.295 42.093 -32.315 1.00 12.41 H new ATOM 0 HG3 ARG A 101 28.475 40.546 -32.383 1.00 12.41 H new ATOM 0 HD2 ARG A 101 31.366 40.976 -31.536 1.00 13.24 H new ATOM 0 HD3 ARG A 101 30.018 40.698 -30.451 1.00 13.24 H new ATOM 0 HE ARG A 101 30.269 38.585 -32.440 1.00 14.53 H new ATOM 0 HH11 ARG A 101 31.655 39.827 -29.439 1.00 20.33 H new ATOM 0 HH12 ARG A 101 32.118 38.225 -28.855 1.00 20.33 H new ATOM 0 HH21 ARG A 101 30.834 36.531 -31.679 1.00 52.25 H new ATOM 0 HH22 ARG A 101 31.652 36.359 -30.123 1.00 52.25 H new ATOM 1508 N LYS A 102 33.174 40.658 -34.498 1.00 25.22 N ATOM 1509 CA LYS A 102 34.441 40.134 -33.999 1.00 51.24 C ATOM 1510 C LYS A 102 35.621 40.895 -34.591 1.00 24.03 C ATOM 1511 O LYS A 102 36.525 41.323 -33.874 1.00 61.52 O ATOM 1512 CB LYS A 102 34.582 38.651 -34.349 1.00 63.24 C ATOM 1513 CG LYS A 102 33.398 37.800 -33.924 1.00 64.00 C ATOM 1514 CD LYS A 102 33.600 36.341 -34.299 1.00 42.35 C ATOM 1515 CE LYS A 102 33.749 36.170 -35.803 1.00 32.33 C ATOM 1516 NZ LYS A 102 34.052 34.765 -36.177 1.00 73.14 N1+ ATOM 0 H LYS A 102 32.948 40.372 -35.451 1.00 25.22 H new ATOM 0 HA LYS A 102 34.443 40.259 -32.916 1.00 51.24 H new ATOM 0 HB2 LYS A 102 34.718 38.554 -35.426 1.00 63.24 H new ATOM 0 HB3 LYS A 102 35.484 38.261 -33.877 1.00 63.24 H new ATOM 0 HG2 LYS A 102 33.256 37.884 -32.847 1.00 64.00 H new ATOM 0 HG3 LYS A 102 32.490 38.176 -34.395 1.00 64.00 H new ATOM 0 HD2 LYS A 102 34.487 35.954 -33.798 1.00 42.35 H new ATOM 0 HD3 LYS A 102 32.753 35.753 -33.947 1.00 42.35 H new ATOM 0 HE2 LYS A 102 32.830 36.486 -36.296 1.00 32.33 H new ATOM 0 HE3 LYS A 102 34.545 36.821 -36.165 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 34.145 34.693 -37.210 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 34.942 34.470 -35.728 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 33.281 34.146 -35.855 1.00 73.14 H new ATOM 1530 N THR A 103 35.607 41.045 -35.905 1.00 32.11 N ATOM 1531 CA THR A 103 36.714 41.660 -36.619 1.00 65.25 C ATOM 1532 C THR A 103 36.538 43.176 -36.696 1.00 51.12 C ATOM 1533 O THR A 103 37.470 43.908 -37.031 1.00 72.12 O ATOM 1534 CB THR A 103 36.823 41.081 -38.042 1.00 3.51 C ATOM 1535 OG1 THR A 103 36.178 39.798 -38.101 1.00 71.14 O ATOM 1536 CG2 THR A 103 38.279 40.928 -38.450 1.00 15.44 C ATOM 0 H THR A 103 34.836 40.747 -36.502 1.00 32.11 H new ATOM 0 HA THR A 103 37.630 41.441 -36.070 1.00 65.25 H new ATOM 0 HB THR A 103 36.333 41.771 -38.729 1.00 3.51 H new ATOM 0 HG1 THR A 103 36.250 39.437 -39.009 1.00 71.14 H new ATOM 0 HG21 THR A 103 38.333 40.517 -39.458 1.00 15.44 H new ATOM 0 HG22 THR A 103 38.767 41.902 -38.428 1.00 15.44 H new ATOM 0 HG23 THR A 103 38.782 40.254 -37.757 1.00 15.44 H new ATOM 1544 N GLY A 104 35.329 43.634 -36.400 1.00 65.24 N ATOM 1545 CA GLY A 104 35.041 45.056 -36.398 1.00 42.41 C ATOM 1546 C GLY A 104 35.101 45.684 -37.778 1.00 24.42 C ATOM 1547 O GLY A 104 35.199 46.904 -37.909 1.00 13.23 O ATOM 0 H GLY A 104 34.535 43.040 -36.159 1.00 65.24 H new ATOM 0 HA2 GLY A 104 34.049 45.218 -35.976 1.00 42.41 H new ATOM 0 HA3 GLY A 104 35.752 45.562 -35.745 1.00 42.41 H new ATOM 1551 N GLN A 105 35.050 44.850 -38.809 1.00 51.35 N ATOM 1552 CA GLN A 105 35.032 45.330 -40.182 1.00 72.04 C ATOM 1553 C GLN A 105 33.784 46.163 -40.429 1.00 12.40 C ATOM 1554 O GLN A 105 32.664 45.703 -40.201 1.00 64.30 O ATOM 1555 CB GLN A 105 35.080 44.156 -41.163 1.00 71.44 C ATOM 1556 CG GLN A 105 36.338 43.312 -41.052 1.00 11.23 C ATOM 1557 CD GLN A 105 37.601 44.119 -41.271 1.00 44.43 C ATOM 1558 OE1 GLN A 105 38.068 44.270 -42.398 1.00 42.45 O ATOM 1559 NE2 GLN A 105 38.165 44.636 -40.193 1.00 23.32 N ATOM 0 H GLN A 105 35.020 43.834 -38.718 1.00 51.35 H new ATOM 0 HA GLN A 105 35.913 45.952 -40.341 1.00 72.04 H new ATOM 0 HB2 GLN A 105 34.211 43.519 -40.995 1.00 71.44 H new ATOM 0 HB3 GLN A 105 35.001 44.541 -42.180 1.00 71.44 H new ATOM 0 HG2 GLN A 105 36.374 42.848 -40.066 1.00 11.23 H new ATOM 0 HG3 GLN A 105 36.295 42.505 -41.783 1.00 11.23 H new ATOM 0 HE21 GLN A 105 37.744 44.487 -39.276 1.00 23.32 H new ATOM 0 HE22 GLN A 105 39.021 45.184 -40.278 1.00 23.32 H new ATOM 1568 N THR A 106 33.985 47.391 -40.871 1.00 25.35 N ATOM 1569 CA THR A 106 32.885 48.293 -41.154 1.00 43.25 C ATOM 1570 C THR A 106 32.772 48.517 -42.656 1.00 44.11 C ATOM 1571 O THR A 106 33.500 49.327 -43.232 1.00 33.22 O ATOM 1572 CB THR A 106 33.083 49.644 -40.443 1.00 61.32 C ATOM 1573 OG1 THR A 106 33.390 49.422 -39.059 1.00 1.35 O ATOM 1574 CG2 THR A 106 31.835 50.509 -40.558 1.00 5.13 C ATOM 0 H THR A 106 34.909 47.789 -41.043 1.00 25.35 H new ATOM 0 HA THR A 106 31.967 47.838 -40.782 1.00 43.25 H new ATOM 0 HB THR A 106 33.910 50.167 -40.924 1.00 61.32 H new ATOM 0 HG1 THR A 106 33.517 50.284 -38.610 1.00 1.35 H new ATOM 0 HG21 THR A 106 32.001 51.458 -40.047 1.00 5.13 H new ATOM 0 HG22 THR A 106 31.618 50.696 -41.610 1.00 5.13 H new ATOM 0 HG23 THR A 106 30.991 49.993 -40.099 1.00 5.13 H new ATOM 1582 N SER A 107 31.879 47.777 -43.290 1.00 30.10 N ATOM 1583 CA SER A 107 31.719 47.851 -44.729 1.00 71.15 C ATOM 1584 C SER A 107 30.475 48.658 -45.072 1.00 42.21 C ATOM 1585 O SER A 107 29.347 48.187 -44.910 1.00 53.14 O ATOM 1586 CB SER A 107 31.629 46.441 -45.319 1.00 62.32 C ATOM 1587 OG SER A 107 31.822 46.449 -46.725 1.00 35.01 O ATOM 0 H SER A 107 31.253 47.117 -42.828 1.00 30.10 H new ATOM 0 HA SER A 107 32.586 48.351 -45.161 1.00 71.15 H new ATOM 0 HB2 SER A 107 32.379 45.802 -44.852 1.00 62.32 H new ATOM 0 HB3 SER A 107 30.655 46.011 -45.087 1.00 62.32 H new ATOM 0 HG SER A 107 31.760 45.533 -47.069 1.00 35.01 H new ATOM 1593 N THR A 108 30.687 49.889 -45.509 1.00 61.34 N ATOM 1594 CA THR A 108 29.591 50.779 -45.838 1.00 45.01 C ATOM 1595 C THR A 108 29.367 50.844 -47.347 1.00 51.14 C ATOM 1596 O THR A 108 30.127 51.485 -48.075 1.00 24.12 O ATOM 1597 CB THR A 108 29.853 52.199 -45.298 1.00 51.54 C ATOM 1598 OG1 THR A 108 30.169 52.133 -43.901 1.00 42.23 O ATOM 1599 CG2 THR A 108 28.641 53.096 -45.500 1.00 12.31 C ATOM 0 H THR A 108 31.613 50.294 -45.644 1.00 61.34 H new ATOM 0 HA THR A 108 28.695 50.377 -45.365 1.00 45.01 H new ATOM 0 HB THR A 108 30.692 52.623 -45.850 1.00 51.54 H new ATOM 0 HG1 THR A 108 29.739 51.346 -43.505 1.00 42.23 H new ATOM 0 HG21 THR A 108 28.855 54.091 -45.109 1.00 12.31 H new ATOM 0 HG22 THR A 108 28.413 53.165 -46.564 1.00 12.31 H new ATOM 0 HG23 THR A 108 27.785 52.676 -44.972 1.00 12.31 H new ATOM 1607 N ILE A 109 28.337 50.157 -47.816 1.00 13.34 N ATOM 1608 CA ILE A 109 27.970 50.201 -49.224 1.00 55.11 C ATOM 1609 C ILE A 109 26.826 51.187 -49.431 1.00 14.15 C ATOM 1610 O ILE A 109 25.659 50.867 -49.193 1.00 1.14 O ATOM 1611 CB ILE A 109 27.562 48.810 -49.779 1.00 61.20 C ATOM 1612 CG1 ILE A 109 28.710 47.795 -49.652 1.00 73.01 C ATOM 1613 CG2 ILE A 109 27.125 48.921 -51.236 1.00 4.42 C ATOM 1614 CD1 ILE A 109 28.846 47.180 -48.274 1.00 12.41 C ATOM 0 H ILE A 109 27.740 49.562 -47.242 1.00 13.34 H new ATOM 0 HA ILE A 109 28.853 50.525 -49.774 1.00 55.11 H new ATOM 0 HB ILE A 109 26.724 48.452 -49.182 1.00 61.20 H new ATOM 0 HG12 ILE A 109 28.557 46.998 -50.380 1.00 73.01 H new ATOM 0 HG13 ILE A 109 29.647 48.289 -49.911 1.00 73.01 H new ATOM 0 HG21 ILE A 109 26.843 47.936 -51.607 1.00 4.42 H new ATOM 0 HG22 ILE A 109 26.271 49.595 -51.309 1.00 4.42 H new ATOM 0 HG23 ILE A 109 27.948 49.312 -51.834 1.00 4.42 H new ATOM 0 HD11 ILE A 109 29.678 46.476 -48.270 1.00 12.41 H new ATOM 0 HD12 ILE A 109 29.032 47.966 -47.542 1.00 12.41 H new ATOM 0 HD13 ILE A 109 27.926 46.655 -48.017 1.00 12.41 H new ATOM 1626 N GLN A 110 27.167 52.398 -49.844 1.00 42.43 N ATOM 1627 CA GLN A 110 26.161 53.406 -50.130 1.00 3.53 C ATOM 1628 C GLN A 110 25.483 53.113 -51.455 1.00 10.22 C ATOM 1629 O GLN A 110 25.961 52.285 -52.234 1.00 61.10 O ATOM 1630 CB GLN A 110 26.779 54.801 -50.175 1.00 51.25 C ATOM 1631 CG GLN A 110 27.066 55.375 -48.806 1.00 2.41 C ATOM 1632 CD GLN A 110 27.663 56.767 -48.866 1.00 4.14 C ATOM 1633 OE1 GLN A 110 27.384 57.536 -49.784 1.00 23.33 O ATOM 1634 NE2 GLN A 110 28.492 57.102 -47.891 1.00 32.10 N ATOM 0 H GLN A 110 28.129 52.705 -49.988 1.00 42.43 H new ATOM 0 HA GLN A 110 25.423 53.376 -49.329 1.00 3.53 H new ATOM 0 HB2 GLN A 110 27.707 54.761 -50.746 1.00 51.25 H new ATOM 0 HB3 GLN A 110 26.105 55.472 -50.708 1.00 51.25 H new ATOM 0 HG2 GLN A 110 26.142 55.406 -48.229 1.00 2.41 H new ATOM 0 HG3 GLN A 110 27.751 54.713 -48.276 1.00 2.41 H new ATOM 0 HE21 GLN A 110 28.699 56.436 -47.146 1.00 32.10 H new ATOM 0 HE22 GLN A 110 28.924 58.026 -47.884 1.00 32.10 H new ATOM 1643 N VAL A 111 24.371 53.790 -51.699 1.00 22.34 N ATOM 1644 CA VAL A 111 23.686 53.710 -52.977 1.00 74.24 C ATOM 1645 C VAL A 111 24.642 54.079 -54.118 1.00 21.00 C ATOM 1646 O VAL A 111 24.951 55.248 -54.347 1.00 75.11 O ATOM 1647 CB VAL A 111 22.429 54.614 -52.991 1.00 73.33 C ATOM 1648 CG1 VAL A 111 22.750 56.031 -52.528 1.00 13.23 C ATOM 1649 CG2 VAL A 111 21.801 54.634 -54.374 1.00 44.35 C ATOM 0 H VAL A 111 23.922 54.406 -51.021 1.00 22.34 H new ATOM 0 HA VAL A 111 23.355 52.682 -53.125 1.00 74.24 H new ATOM 0 HB VAL A 111 21.712 54.192 -52.287 1.00 73.33 H new ATOM 0 HG11 VAL A 111 21.843 56.636 -52.551 1.00 13.23 H new ATOM 0 HG12 VAL A 111 23.141 56.002 -51.511 1.00 13.23 H new ATOM 0 HG13 VAL A 111 23.496 56.470 -53.190 1.00 13.23 H new ATOM 0 HG21 VAL A 111 20.919 55.274 -54.364 1.00 44.35 H new ATOM 0 HG22 VAL A 111 22.521 55.020 -55.095 1.00 44.35 H new ATOM 0 HG23 VAL A 111 21.511 53.622 -54.657 1.00 44.35 H new