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= 0.195 K(o=0.43,f=-0.42) USER MOD Set 1.2: A 108 THR OG1 : rot -88:sc= 0.239 USER MOD Set 2.1: A 78 MET CE :methyl 162:sc= -0.116 (180deg=-0.691) USER MOD Set 2.2: A 80 THR OG1 : rot 61:sc= 1.23 USER MOD Set 3.1: A 56 GLN : amide:sc= 0.186 K(o=0.38,f=-8.6!) USER MOD Set 3.2: A 59 GLN : amide:sc= 0.198 K(o=0.38,f=-5.7!) 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= -0.122 K(o=-0.12,f=-0.89!) USER MOD Single : A 55 THR OG1 : rot -26:sc= 0.0182 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.072 X(o=-0.072,f=-0.0074) USER MOD Single : A 68 SER OG : rot -106:sc= 1.16 USER MOD Single : A 69 ASN : amide:sc= -2! K(o=-2!,f=-0.14) USER MOD Single : A 81 ASN : amide:sc= -0.0165 K(o=-0.016,f=-0.92) USER MOD Single : A 83 TYR OH : rot 58:sc= 0.839 USER MOD Single : A 89 ASN : amide:sc= -0.919 K(o=-0.92,f=-11!) USER MOD Single : A 93 GLN : amide:sc= -2.56! K(o=-2.6!,f=-0.036) USER MOD Single : A 95 GLN : amide:sc= -3.35! K(o=-3.3!,f=-0.29) 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 -34:sc= -0.447! USER MOD Single : A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 659 N GLU A 46 21.206 43.586 -16.931 1.00 65.21 N ATOM 660 CA GLU A 46 22.453 43.042 -17.478 1.00 41.54 C ATOM 661 C GLU A 46 23.659 43.498 -16.653 1.00 5.12 C ATOM 662 O GLU A 46 23.508 43.968 -15.523 1.00 43.23 O ATOM 663 CB GLU A 46 22.612 43.449 -18.948 1.00 55.55 C ATOM 664 CG GLU A 46 21.568 42.825 -19.861 1.00 14.53 C ATOM 665 CD GLU A 46 21.564 43.430 -21.250 1.00 0.14 C ATOM 666 OE1 GLU A 46 20.594 44.144 -21.585 1.00 65.32 O ATOM 667 OE2 GLU A 46 22.520 43.197 -22.014 1.00 5.55 O1- ATOM 0 HA GLU A 46 22.405 41.954 -17.424 1.00 41.54 H new ATOM 0 HB2 GLU A 46 22.551 44.534 -19.026 1.00 55.55 H new ATOM 0 HB3 GLU A 46 23.605 43.160 -19.292 1.00 55.55 H new ATOM 0 HG2 GLU A 46 21.753 41.753 -19.937 1.00 14.53 H new ATOM 0 HG3 GLU A 46 20.582 42.947 -19.414 1.00 14.53 H new ATOM 674 N THR A 47 24.853 43.328 -17.202 1.00 53.34 N ATOM 675 CA THR A 47 26.066 43.760 -16.525 1.00 11.21 C ATOM 676 C THR A 47 26.994 44.497 -17.496 1.00 2.33 C ATOM 677 O THR A 47 27.893 43.900 -18.094 1.00 31.14 O ATOM 678 CB THR A 47 26.809 42.568 -15.884 1.00 14.13 C ATOM 679 OG1 THR A 47 25.900 41.827 -15.056 1.00 60.32 O ATOM 680 CG2 THR A 47 27.979 43.047 -15.040 1.00 31.14 C ATOM 0 H THR A 47 25.007 42.895 -18.112 1.00 53.34 H new ATOM 0 HA THR A 47 25.771 44.444 -15.729 1.00 11.21 H new ATOM 0 HB THR A 47 27.193 41.932 -16.682 1.00 14.13 H new ATOM 0 HG1 THR A 47 26.371 41.069 -14.650 1.00 60.32 H new ATOM 0 HG21 THR A 47 28.486 42.188 -14.600 1.00 31.14 H new ATOM 0 HG22 THR A 47 28.679 43.599 -15.668 1.00 31.14 H new ATOM 0 HG23 THR A 47 27.613 43.698 -14.246 1.00 31.14 H new ATOM 688 N PRO A 48 26.747 45.800 -17.701 1.00 63.35 N ATOM 689 CA PRO A 48 27.560 46.644 -18.556 1.00 21.13 C ATOM 690 C PRO A 48 28.642 47.383 -17.773 1.00 23.22 C ATOM 691 O PRO A 48 28.351 48.303 -17.005 1.00 30.10 O ATOM 692 CB PRO A 48 26.536 47.634 -19.130 1.00 72.10 C ATOM 693 CG PRO A 48 25.330 47.566 -18.227 1.00 2.42 C ATOM 694 CD PRO A 48 25.630 46.565 -17.140 1.00 3.12 C ATOM 0 HA PRO A 48 28.099 46.075 -19.314 1.00 21.13 H new ATOM 0 HB2 PRO A 48 26.945 48.644 -19.157 1.00 72.10 H new ATOM 0 HB3 PRO A 48 26.271 47.369 -20.154 1.00 72.10 H new ATOM 0 HG2 PRO A 48 25.117 48.545 -17.798 1.00 2.42 H new ATOM 0 HG3 PRO A 48 24.446 47.266 -18.790 1.00 2.42 H new ATOM 0 HD2 PRO A 48 25.904 47.054 -16.205 1.00 3.12 H new ATOM 0 HD3 PRO A 48 24.771 45.929 -16.928 1.00 3.12 H new ATOM 702 N SER A 49 29.886 46.974 -17.960 1.00 1.52 N ATOM 703 CA SER A 49 30.996 47.593 -17.257 1.00 71.45 C ATOM 704 C SER A 49 31.869 48.404 -18.215 1.00 5.40 C ATOM 705 O SER A 49 31.748 49.629 -18.287 1.00 55.33 O ATOM 706 CB SER A 49 31.819 46.524 -16.538 1.00 4.01 C ATOM 707 OG SER A 49 31.001 45.782 -15.645 1.00 52.25 O ATOM 0 H SER A 49 30.152 46.218 -18.591 1.00 1.52 H new ATOM 0 HA SER A 49 30.596 48.283 -16.514 1.00 71.45 H new ATOM 0 HB2 SER A 49 32.272 45.853 -17.268 1.00 4.01 H new ATOM 0 HB3 SER A 49 32.635 46.994 -15.988 1.00 4.01 H new ATOM 0 HG SER A 49 31.543 45.101 -15.194 1.00 52.25 H new ATOM 713 N ALA A 50 32.725 47.724 -18.971 1.00 4.34 N ATOM 714 CA ALA A 50 33.635 48.408 -19.882 1.00 71.23 C ATOM 715 C ALA A 50 32.907 48.907 -21.125 1.00 52.43 C ATOM 716 O ALA A 50 33.153 50.021 -21.596 1.00 63.35 O ATOM 717 CB ALA A 50 34.785 47.496 -20.268 1.00 52.42 C ATOM 0 H ALA A 50 32.807 46.707 -18.971 1.00 4.34 H new ATOM 0 HA ALA A 50 34.037 49.277 -19.361 1.00 71.23 H new ATOM 0 HB1 ALA A 50 35.454 48.023 -20.948 1.00 52.42 H new ATOM 0 HB2 ALA A 50 35.334 47.204 -19.373 1.00 52.42 H new ATOM 0 HB3 ALA A 50 34.394 46.606 -20.761 1.00 52.42 H new ATOM 723 N LEU A 51 31.996 48.092 -21.651 1.00 14.24 N ATOM 724 CA LEU A 51 31.235 48.477 -22.836 1.00 65.24 C ATOM 725 C LEU A 51 30.282 49.619 -22.506 1.00 54.11 C ATOM 726 O LEU A 51 29.871 50.371 -23.388 1.00 73.42 O ATOM 727 CB LEU A 51 30.481 47.272 -23.425 1.00 34.13 C ATOM 728 CG LEU A 51 29.461 46.582 -22.507 1.00 14.14 C ATOM 729 CD1 LEU A 51 28.124 47.313 -22.510 1.00 42.24 C ATOM 730 CD2 LEU A 51 29.272 45.135 -22.928 1.00 32.32 C ATOM 0 H LEU A 51 31.768 47.170 -21.280 1.00 14.24 H new ATOM 0 HA LEU A 51 31.934 48.827 -23.595 1.00 65.24 H new ATOM 0 HB2 LEU A 51 29.961 47.602 -24.324 1.00 34.13 H new ATOM 0 HB3 LEU A 51 31.216 46.530 -23.736 1.00 34.13 H new ATOM 0 HG LEU A 51 29.853 46.610 -21.490 1.00 14.14 H new ATOM 0 HD11 LEU A 51 27.426 46.798 -21.850 1.00 42.24 H new ATOM 0 HD12 LEU A 51 28.267 48.335 -22.160 1.00 42.24 H new ATOM 0 HD13 LEU A 51 27.721 47.330 -23.523 1.00 42.24 H new ATOM 0 HD21 LEU A 51 28.547 44.656 -22.270 1.00 32.32 H new ATOM 0 HD22 LEU A 51 28.909 45.099 -23.955 1.00 32.32 H new ATOM 0 HD23 LEU A 51 30.225 44.609 -22.862 1.00 32.32 H new ATOM 742 N ASP A 52 29.949 49.748 -21.225 1.00 2.23 N ATOM 743 CA ASP A 52 29.081 50.819 -20.746 1.00 12.25 C ATOM 744 C ASP A 52 29.714 52.176 -21.015 1.00 34.31 C ATOM 745 O ASP A 52 29.047 53.112 -21.446 1.00 33.15 O ATOM 746 CB ASP A 52 28.821 50.647 -19.247 1.00 5.20 C ATOM 747 CG ASP A 52 28.074 51.815 -18.627 1.00 62.52 C ATOM 748 OD1 ASP A 52 26.829 51.770 -18.573 1.00 12.41 O ATOM 749 OD2 ASP A 52 28.736 52.774 -18.168 1.00 63.02 O1- ATOM 0 H ASP A 52 30.272 49.116 -20.492 1.00 2.23 H new ATOM 0 HA ASP A 52 28.133 50.767 -21.281 1.00 12.25 H new ATOM 0 HB2 ASP A 52 28.249 49.733 -19.087 1.00 5.20 H new ATOM 0 HB3 ASP A 52 29.774 50.520 -18.733 1.00 5.20 H new ATOM 754 N ASN A 53 31.014 52.263 -20.777 1.00 61.25 N ATOM 755 CA ASN A 53 31.747 53.499 -21.008 1.00 42.12 C ATOM 756 C ASN A 53 31.814 53.792 -22.504 1.00 63.01 C ATOM 757 O ASN A 53 31.618 54.926 -22.942 1.00 23.25 O ATOM 758 CB ASN A 53 33.165 53.382 -20.438 1.00 44.53 C ATOM 759 CG ASN A 53 33.866 54.722 -20.300 1.00 73.01 C ATOM 760 OD1 ASN A 53 33.532 55.692 -20.980 1.00 72.42 O ATOM 761 ND2 ASN A 53 34.872 54.778 -19.440 1.00 31.23 N ATOM 0 H ASN A 53 31.583 51.493 -20.424 1.00 61.25 H new ATOM 0 HA ASN A 53 31.228 54.316 -20.507 1.00 42.12 H new ATOM 0 HB2 ASN A 53 33.118 52.901 -19.461 1.00 44.53 H new ATOM 0 HB3 ASN A 53 33.757 52.734 -21.084 1.00 44.53 H new ATOM 0 HD21 ASN A 53 35.397 55.645 -19.325 1.00 31.23 H new ATOM 0 HD22 ASN A 53 35.121 53.954 -18.893 1.00 31.23 H new ATOM 768 N PHE A 54 32.069 52.747 -23.283 1.00 22.14 N ATOM 769 CA PHE A 54 32.260 52.884 -24.722 1.00 43.23 C ATOM 770 C PHE A 54 30.962 53.279 -25.426 1.00 0.30 C ATOM 771 O PHE A 54 30.937 54.238 -26.199 1.00 51.31 O ATOM 772 CB PHE A 54 32.803 51.573 -25.305 1.00 64.13 C ATOM 773 CG PHE A 54 33.091 51.637 -26.779 1.00 32.43 C ATOM 774 CD1 PHE A 54 34.145 52.401 -27.262 1.00 20.25 C ATOM 775 CD2 PHE A 54 32.315 50.927 -27.681 1.00 52.44 C ATOM 776 CE1 PHE A 54 34.413 52.457 -28.615 1.00 74.25 C ATOM 777 CE2 PHE A 54 32.580 50.980 -29.036 1.00 41.13 C ATOM 778 CZ PHE A 54 33.632 51.746 -29.504 1.00 1.54 C ATOM 0 H PHE A 54 32.149 51.790 -22.939 1.00 22.14 H new ATOM 0 HA PHE A 54 32.984 53.681 -24.891 1.00 43.23 H new ATOM 0 HB2 PHE A 54 33.718 51.303 -24.777 1.00 64.13 H new ATOM 0 HB3 PHE A 54 32.081 50.777 -25.120 1.00 64.13 H new ATOM 0 HD1 PHE A 54 34.762 52.957 -26.572 1.00 20.25 H new ATOM 0 HD2 PHE A 54 31.494 50.325 -27.321 1.00 52.44 H new ATOM 0 HE1 PHE A 54 35.234 53.057 -28.978 1.00 74.25 H new ATOM 0 HE2 PHE A 54 31.966 50.424 -29.729 1.00 41.13 H new ATOM 0 HZ PHE A 54 33.842 51.788 -30.563 1.00 1.54 H new ATOM 788 N THR A 55 29.880 52.556 -25.146 1.00 75.41 N ATOM 789 CA THR A 55 28.611 52.789 -25.829 1.00 62.12 C ATOM 790 C THR A 55 28.007 54.143 -25.448 1.00 21.25 C ATOM 791 O THR A 55 27.158 54.677 -26.161 1.00 1.24 O ATOM 792 CB THR A 55 27.589 51.662 -25.536 1.00 4.21 C ATOM 793 OG1 THR A 55 26.467 51.766 -26.423 1.00 21.43 O ATOM 794 CG2 THR A 55 27.101 51.717 -24.097 1.00 4.31 C ATOM 0 H THR A 55 29.857 51.807 -24.454 1.00 75.41 H new ATOM 0 HA THR A 55 28.829 52.792 -26.897 1.00 62.12 H new ATOM 0 HB THR A 55 28.095 50.709 -25.694 1.00 4.21 H new ATOM 0 HG1 THR A 55 26.364 52.696 -26.713 1.00 21.43 H new ATOM 0 HG21 THR A 55 26.385 50.913 -23.924 1.00 4.31 H new ATOM 0 HG22 THR A 55 27.948 51.600 -23.421 1.00 4.31 H new ATOM 0 HG23 THR A 55 26.619 52.677 -23.913 1.00 4.31 H new ATOM 802 N GLN A 56 28.477 54.711 -24.343 1.00 32.54 N ATOM 803 CA GLN A 56 27.952 55.978 -23.850 1.00 40.22 C ATOM 804 C GLN A 56 28.474 57.144 -24.681 1.00 42.31 C ATOM 805 O GLN A 56 27.866 58.214 -24.719 1.00 33.50 O ATOM 806 CB GLN A 56 28.308 56.163 -22.374 1.00 24.31 C ATOM 807 CG GLN A 56 27.090 56.251 -21.470 1.00 3.12 C ATOM 808 CD GLN A 56 26.110 55.110 -21.693 1.00 23.51 C ATOM 809 OE1 GLN A 56 25.187 55.218 -22.505 1.00 22.43 O ATOM 810 NE2 GLN A 56 26.304 54.007 -20.991 1.00 51.20 N ATOM 0 H GLN A 56 29.222 54.313 -23.771 1.00 32.54 H new ATOM 0 HA GLN A 56 26.866 55.959 -23.945 1.00 40.22 H new ATOM 0 HB2 GLN A 56 28.933 55.330 -22.051 1.00 24.31 H new ATOM 0 HB3 GLN A 56 28.902 57.070 -22.261 1.00 24.31 H new ATOM 0 HG2 GLN A 56 27.414 56.248 -20.429 1.00 3.12 H new ATOM 0 HG3 GLN A 56 26.582 57.200 -21.643 1.00 3.12 H new ATOM 0 HE21 GLN A 56 27.078 53.954 -20.329 1.00 51.20 H new ATOM 0 HE22 GLN A 56 25.680 53.209 -21.112 1.00 51.20 H new ATOM 819 N ALA A 57 29.593 56.928 -25.359 1.00 43.12 N ATOM 820 CA ALA A 57 30.131 57.925 -26.275 1.00 74.22 C ATOM 821 C ALA A 57 29.433 57.817 -27.627 1.00 13.44 C ATOM 822 O ALA A 57 29.441 58.749 -28.432 1.00 44.41 O ATOM 823 CB ALA A 57 31.632 57.745 -26.432 1.00 32.32 C ATOM 0 H ALA A 57 30.145 56.073 -25.292 1.00 43.12 H new ATOM 0 HA ALA A 57 29.948 58.918 -25.865 1.00 74.22 H new ATOM 0 HB1 ALA A 57 32.019 58.497 -27.119 1.00 32.32 H new ATOM 0 HB2 ALA A 57 32.115 57.857 -25.462 1.00 32.32 H new ATOM 0 HB3 ALA A 57 31.840 56.751 -26.828 1.00 32.32 H new ATOM 829 N ILE A 58 28.817 56.665 -27.853 1.00 52.41 N ATOM 830 CA ILE A 58 28.117 56.389 -29.098 1.00 43.42 C ATOM 831 C ILE A 58 26.743 57.051 -29.096 1.00 42.32 C ATOM 832 O ILE A 58 26.198 57.390 -30.142 1.00 2.22 O ATOM 833 CB ILE A 58 27.949 54.868 -29.311 1.00 4.31 C ATOM 834 CG1 ILE A 58 29.308 54.171 -29.200 1.00 33.32 C ATOM 835 CG2 ILE A 58 27.293 54.578 -30.656 1.00 22.11 C ATOM 836 CD1 ILE A 58 29.272 52.701 -29.555 1.00 75.03 C ATOM 0 H ILE A 58 28.789 55.898 -27.181 1.00 52.41 H new ATOM 0 HA ILE A 58 28.715 56.797 -29.912 1.00 43.42 H new ATOM 0 HB ILE A 58 27.294 54.476 -28.533 1.00 4.31 H new ATOM 0 HG12 ILE A 58 30.019 54.676 -29.854 1.00 33.32 H new ATOM 0 HG13 ILE A 58 29.679 54.280 -28.181 1.00 33.32 H new ATOM 0 HG21 ILE A 58 27.185 53.501 -30.784 1.00 22.11 H new ATOM 0 HG22 ILE A 58 26.310 55.048 -30.690 1.00 22.11 H new ATOM 0 HG23 ILE A 58 27.914 54.978 -31.458 1.00 22.11 H new ATOM 0 HD11 ILE A 58 30.271 52.277 -29.452 1.00 75.03 H new ATOM 0 HD12 ILE A 58 28.587 52.182 -28.885 1.00 75.03 H new ATOM 0 HD13 ILE A 58 28.932 52.583 -30.584 1.00 75.03 H new ATOM 848 N GLN A 59 26.210 57.263 -27.904 1.00 20.32 N ATOM 849 CA GLN A 59 24.869 57.811 -27.738 1.00 43.14 C ATOM 850 C GLN A 59 24.726 59.172 -28.420 1.00 30.01 C ATOM 851 O GLN A 59 23.637 59.543 -28.861 1.00 22.32 O ATOM 852 CB GLN A 59 24.549 57.944 -26.248 1.00 0.24 C ATOM 853 CG GLN A 59 24.770 56.661 -25.464 1.00 33.03 C ATOM 854 CD GLN A 59 23.752 55.579 -25.771 1.00 32.54 C ATOM 855 OE1 GLN A 59 23.197 55.510 -26.869 1.00 24.13 O ATOM 856 NE2 GLN A 59 23.508 54.718 -24.798 1.00 51.23 N ATOM 0 H GLN A 59 26.690 57.062 -27.027 1.00 20.32 H new ATOM 0 HA GLN A 59 24.165 57.125 -28.210 1.00 43.14 H new ATOM 0 HB2 GLN A 59 25.168 58.733 -25.821 1.00 0.24 H new ATOM 0 HB3 GLN A 59 23.511 58.256 -26.134 1.00 0.24 H new ATOM 0 HG2 GLN A 59 25.768 56.281 -25.680 1.00 33.03 H new ATOM 0 HG3 GLN A 59 24.738 56.886 -24.398 1.00 33.03 H new ATOM 0 HE21 GLN A 59 23.989 54.810 -23.903 1.00 51.23 H new ATOM 0 HE22 GLN A 59 22.839 53.962 -24.942 1.00 51.23 H new ATOM 865 N SER A 60 25.829 59.902 -28.516 1.00 51.04 N ATOM 866 CA SER A 60 25.816 61.241 -29.088 1.00 11.41 C ATOM 867 C SER A 60 25.793 61.197 -30.619 1.00 54.31 C ATOM 868 O SER A 60 25.147 62.023 -31.261 1.00 71.15 O ATOM 869 CB SER A 60 27.047 62.006 -28.607 1.00 73.34 C ATOM 870 OG SER A 60 27.318 61.718 -27.242 1.00 3.51 O ATOM 0 H SER A 60 26.748 59.587 -28.204 1.00 51.04 H new ATOM 0 HA SER A 60 24.909 61.748 -28.757 1.00 11.41 H new ATOM 0 HB2 SER A 60 27.909 61.738 -29.218 1.00 73.34 H new ATOM 0 HB3 SER A 60 26.887 63.077 -28.733 1.00 73.34 H new ATOM 0 HG SER A 60 28.111 62.216 -26.954 1.00 3.51 H new ATOM 876 N GLN A 61 26.476 60.213 -31.195 1.00 30.10 N ATOM 877 CA GLN A 61 26.637 60.137 -32.646 1.00 24.42 C ATOM 878 C GLN A 61 25.416 59.508 -33.316 1.00 14.32 C ATOM 879 O GLN A 61 25.316 59.473 -34.541 1.00 1.12 O ATOM 880 CB GLN A 61 27.898 59.341 -33.004 1.00 64.21 C ATOM 881 CG GLN A 61 27.882 57.913 -32.486 1.00 32.32 C ATOM 882 CD GLN A 61 29.094 57.116 -32.912 1.00 64.01 C ATOM 883 OE1 GLN A 61 29.083 56.465 -33.955 1.00 52.54 O ATOM 884 NE2 GLN A 61 30.146 57.153 -32.110 1.00 61.52 N ATOM 0 H GLN A 61 26.927 59.456 -30.681 1.00 30.10 H new ATOM 0 HA GLN A 61 26.738 61.157 -33.018 1.00 24.42 H new ATOM 0 HB2 GLN A 61 28.012 59.324 -34.088 1.00 64.21 H new ATOM 0 HB3 GLN A 61 28.770 59.856 -32.600 1.00 64.21 H new ATOM 0 HG2 GLN A 61 27.828 57.928 -31.397 1.00 32.32 H new ATOM 0 HG3 GLN A 61 26.982 57.413 -32.843 1.00 32.32 H new ATOM 0 HE21 GLN A 61 30.115 57.706 -31.253 1.00 61.52 H new ATOM 0 HE22 GLN A 61 30.988 56.629 -32.349 1.00 61.52 H new ATOM 893 N ILE A 62 24.484 59.020 -32.507 1.00 25.21 N ATOM 894 CA ILE A 62 23.289 58.374 -33.032 1.00 60.23 C ATOM 895 C ILE A 62 22.363 59.400 -33.679 1.00 4.22 C ATOM 896 O ILE A 62 21.678 59.103 -34.656 1.00 73.53 O ATOM 897 CB ILE A 62 22.529 57.610 -31.925 1.00 31.41 C ATOM 898 CG1 ILE A 62 23.430 56.530 -31.317 1.00 75.12 C ATOM 899 CG2 ILE A 62 21.254 56.985 -32.476 1.00 11.33 C ATOM 900 CD1 ILE A 62 22.781 55.748 -30.196 1.00 54.33 C ATOM 0 H ILE A 62 24.532 59.059 -31.489 1.00 25.21 H new ATOM 0 HA ILE A 62 23.610 57.656 -33.787 1.00 60.23 H new ATOM 0 HB ILE A 62 22.251 58.320 -31.146 1.00 31.41 H new ATOM 0 HG12 ILE A 62 23.731 55.837 -32.103 1.00 75.12 H new ATOM 0 HG13 ILE A 62 24.339 56.999 -30.940 1.00 75.12 H new ATOM 0 HG21 ILE A 62 20.736 56.452 -31.679 1.00 11.33 H new ATOM 0 HG22 ILE A 62 20.606 57.768 -32.870 1.00 11.33 H new ATOM 0 HG23 ILE A 62 21.506 56.287 -33.274 1.00 11.33 H new ATOM 0 HD11 ILE A 62 23.482 55.003 -29.819 1.00 54.33 H new ATOM 0 HD12 ILE A 62 22.505 56.428 -29.390 1.00 54.33 H new ATOM 0 HD13 ILE A 62 21.888 55.248 -30.571 1.00 54.33 H new ATOM 912 N LEU A 63 22.373 60.618 -33.146 1.00 64.35 N ATOM 913 CA LEU A 63 21.488 61.673 -33.629 1.00 53.53 C ATOM 914 C LEU A 63 21.723 61.967 -35.105 1.00 34.31 C ATOM 915 O LEU A 63 20.771 62.039 -35.881 1.00 74.53 O ATOM 916 CB LEU A 63 21.655 62.957 -32.811 1.00 24.15 C ATOM 917 CG LEU A 63 20.966 62.961 -31.444 1.00 14.34 C ATOM 918 CD1 LEU A 63 21.694 62.058 -30.460 1.00 52.54 C ATOM 919 CD2 LEU A 63 20.874 64.380 -30.905 1.00 61.01 C ATOM 0 H LEU A 63 22.984 60.899 -32.379 1.00 64.35 H new ATOM 0 HA LEU A 63 20.467 61.311 -33.507 1.00 53.53 H new ATOM 0 HB2 LEU A 63 22.720 63.137 -32.662 1.00 24.15 H new ATOM 0 HB3 LEU A 63 21.269 63.792 -33.395 1.00 24.15 H new ATOM 0 HG LEU A 63 19.957 62.569 -31.570 1.00 14.34 H new ATOM 0 HD11 LEU A 63 21.182 62.081 -29.498 1.00 52.54 H new ATOM 0 HD12 LEU A 63 21.704 61.037 -30.842 1.00 52.54 H new ATOM 0 HD13 LEU A 63 22.719 62.408 -30.334 1.00 52.54 H new ATOM 0 HD21 LEU A 63 20.382 64.369 -29.932 1.00 61.01 H new ATOM 0 HD22 LEU A 63 21.876 64.795 -30.800 1.00 61.01 H new ATOM 0 HD23 LEU A 63 20.298 64.995 -31.596 1.00 61.01 H new ATOM 931 N GLY A 64 22.988 62.110 -35.490 1.00 54.14 N ATOM 932 CA GLY A 64 23.324 62.421 -36.869 1.00 43.53 C ATOM 933 C GLY A 64 22.785 61.398 -37.854 1.00 42.50 C ATOM 934 O GLY A 64 22.529 61.717 -39.014 1.00 45.41 O ATOM 0 H GLY A 64 23.791 62.015 -34.868 1.00 54.14 H new ATOM 0 HA2 GLY A 64 22.928 63.405 -37.121 1.00 43.53 H new ATOM 0 HA3 GLY A 64 24.408 62.479 -36.969 1.00 43.53 H new ATOM 938 N GLY A 65 22.612 60.167 -37.390 1.00 25.24 N ATOM 939 CA GLY A 65 22.082 59.127 -38.244 1.00 5.50 C ATOM 940 C GLY A 65 20.575 59.004 -38.133 1.00 33.53 C ATOM 941 O GLY A 65 19.882 58.870 -39.147 1.00 11.34 O ATOM 0 H GLY A 65 22.830 59.872 -36.438 1.00 25.24 H new ATOM 0 HA2 GLY A 65 22.352 59.337 -39.279 1.00 5.50 H new ATOM 0 HA3 GLY A 65 22.542 58.175 -37.981 1.00 5.50 H new ATOM 945 N LEU A 66 20.064 59.073 -36.904 1.00 53.33 N ATOM 946 CA LEU A 66 18.640 58.884 -36.653 1.00 72.23 C ATOM 947 C LEU A 66 17.809 59.982 -37.307 1.00 34.12 C ATOM 948 O LEU A 66 16.632 59.777 -37.594 1.00 33.03 O ATOM 949 CB LEU A 66 18.358 58.782 -35.138 1.00 31.31 C ATOM 950 CG LEU A 66 18.230 60.101 -34.355 1.00 64.21 C ATOM 951 CD1 LEU A 66 16.818 60.671 -34.439 1.00 22.03 C ATOM 952 CD2 LEU A 66 18.622 59.888 -32.900 1.00 65.03 C ATOM 0 H LEU A 66 20.617 59.259 -36.068 1.00 53.33 H new ATOM 0 HA LEU A 66 18.341 57.941 -37.110 1.00 72.23 H new ATOM 0 HB2 LEU A 66 17.435 58.219 -35.004 1.00 31.31 H new ATOM 0 HB3 LEU A 66 19.158 58.196 -34.684 1.00 31.31 H new ATOM 0 HG LEU A 66 18.908 60.823 -34.810 1.00 64.21 H new ATOM 0 HD11 LEU A 66 16.767 61.602 -33.874 1.00 22.03 H new ATOM 0 HD12 LEU A 66 16.565 60.865 -35.481 1.00 22.03 H new ATOM 0 HD13 LEU A 66 16.111 59.954 -34.022 1.00 22.03 H new ATOM 0 HD21 LEU A 66 18.527 60.828 -32.356 1.00 65.03 H new ATOM 0 HD22 LEU A 66 17.966 59.142 -32.452 1.00 65.03 H new ATOM 0 HD23 LEU A 66 19.654 59.541 -32.848 1.00 65.03 H new ATOM 964 N LEU A 67 18.425 61.140 -37.552 1.00 53.21 N ATOM 965 CA LEU A 67 17.744 62.244 -38.228 1.00 64.45 C ATOM 966 C LEU A 67 17.116 61.768 -39.533 1.00 60.43 C ATOM 967 O LEU A 67 15.949 62.045 -39.815 1.00 44.24 O ATOM 968 CB LEU A 67 18.715 63.394 -38.520 1.00 51.43 C ATOM 969 CG LEU A 67 19.283 64.109 -37.294 1.00 3.00 C ATOM 970 CD1 LEU A 67 20.218 65.229 -37.718 1.00 70.32 C ATOM 971 CD2 LEU A 67 18.162 64.650 -36.426 1.00 22.21 C ATOM 0 H LEU A 67 19.392 61.337 -37.293 1.00 53.21 H new ATOM 0 HA LEU A 67 16.961 62.605 -37.562 1.00 64.45 H new ATOM 0 HB2 LEU A 67 19.546 63.003 -39.107 1.00 51.43 H new ATOM 0 HB3 LEU A 67 18.203 64.129 -39.141 1.00 51.43 H new ATOM 0 HG LEU A 67 19.853 63.388 -36.708 1.00 3.00 H new ATOM 0 HD11 LEU A 67 20.613 65.728 -36.833 1.00 70.32 H new ATOM 0 HD12 LEU A 67 21.042 64.815 -38.300 1.00 70.32 H new ATOM 0 HD13 LEU A 67 19.671 65.949 -38.326 1.00 70.32 H new ATOM 0 HD21 LEU A 67 18.585 65.156 -35.558 1.00 22.21 H new ATOM 0 HD22 LEU A 67 17.565 65.357 -37.002 1.00 22.21 H new ATOM 0 HD23 LEU A 67 17.530 63.827 -36.094 1.00 22.21 H new ATOM 983 N SER A 68 17.883 61.018 -40.309 1.00 40.32 N ATOM 984 CA SER A 68 17.414 60.541 -41.596 1.00 11.31 C ATOM 985 C SER A 68 16.736 59.176 -41.447 1.00 75.02 C ATOM 986 O SER A 68 16.172 58.640 -42.399 1.00 75.11 O ATOM 987 CB SER A 68 18.578 60.480 -42.584 1.00 0.14 C ATOM 988 OG SER A 68 18.118 60.325 -43.914 1.00 4.11 O ATOM 0 H SER A 68 18.831 60.728 -40.069 1.00 40.32 H new ATOM 0 HA SER A 68 16.672 61.237 -41.987 1.00 11.31 H new ATOM 0 HB2 SER A 68 19.171 61.391 -42.506 1.00 0.14 H new ATOM 0 HB3 SER A 68 19.234 59.649 -42.325 1.00 0.14 H new ATOM 0 HG SER A 68 18.288 59.408 -44.214 1.00 4.11 H new ATOM 994 N ASN A 69 16.776 58.624 -40.241 1.00 22.22 N ATOM 995 CA ASN A 69 16.058 57.387 -39.951 1.00 3.21 C ATOM 996 C ASN A 69 14.625 57.700 -39.553 1.00 33.23 C ATOM 997 O ASN A 69 13.745 56.848 -39.633 1.00 41.32 O ATOM 998 CB ASN A 69 16.757 56.570 -38.859 1.00 53.44 C ATOM 999 CG ASN A 69 18.022 55.895 -39.355 1.00 25.14 C ATOM 1000 OD1 ASN A 69 18.953 55.652 -38.593 1.00 41.35 O ATOM 1001 ND2 ASN A 69 18.061 55.567 -40.641 1.00 2.13 N ATOM 0 H ASN A 69 17.294 59.009 -39.452 1.00 22.22 H new ATOM 0 HA ASN A 69 16.052 56.780 -40.856 1.00 3.21 H new ATOM 0 HB2 ASN A 69 17.003 57.224 -38.022 1.00 53.44 H new ATOM 0 HB3 ASN A 69 16.070 55.813 -38.481 1.00 53.44 H new ATOM 0 HD21 ASN A 69 18.882 55.098 -41.023 1.00 2.13 H new ATOM 0 HD22 ASN A 69 17.270 55.784 -41.247 1.00 2.13 H new ATOM 1008 N ILE A 70 14.399 58.929 -39.113 1.00 71.41 N ATOM 1009 CA ILE A 70 13.045 59.426 -38.934 1.00 54.25 C ATOM 1010 C ILE A 70 12.433 59.678 -40.310 1.00 15.54 C ATOM 1011 O ILE A 70 11.230 59.522 -40.521 1.00 23.53 O ATOM 1012 CB ILE A 70 13.021 60.729 -38.099 1.00 3.10 C ATOM 1013 CG1 ILE A 70 13.674 60.506 -36.729 1.00 23.53 C ATOM 1014 CG2 ILE A 70 11.597 61.245 -37.930 1.00 12.32 C ATOM 1015 CD1 ILE A 70 12.997 59.439 -35.895 1.00 42.43 C ATOM 0 H ILE A 70 15.132 59.597 -38.875 1.00 71.41 H new ATOM 0 HA ILE A 70 12.467 58.680 -38.390 1.00 54.25 H new ATOM 0 HB ILE A 70 13.594 61.483 -38.639 1.00 3.10 H new ATOM 0 HG12 ILE A 70 14.719 60.231 -36.875 1.00 23.53 H new ATOM 0 HG13 ILE A 70 13.666 61.445 -36.176 1.00 23.53 H new ATOM 0 HG21 ILE A 70 11.610 62.161 -37.340 1.00 12.32 H new ATOM 0 HG22 ILE A 70 11.166 61.451 -38.910 1.00 12.32 H new ATOM 0 HG23 ILE A 70 10.996 60.493 -37.420 1.00 12.32 H new ATOM 0 HD11 ILE A 70 13.515 59.339 -34.941 1.00 42.43 H new ATOM 0 HD12 ILE A 70 11.959 59.721 -35.716 1.00 42.43 H new ATOM 0 HD13 ILE A 70 13.028 58.488 -36.426 1.00 42.43 H new ATOM 1129 N MET A 78 18.341 43.812 -38.928 1.00 12.00 N ATOM 1130 CA MET A 78 18.657 42.593 -38.200 1.00 2.03 C ATOM 1131 C MET A 78 19.788 42.826 -37.209 1.00 70.13 C ATOM 1132 O MET A 78 20.924 43.116 -37.593 1.00 44.34 O ATOM 1133 CB MET A 78 19.025 41.464 -39.166 1.00 63.14 C ATOM 1134 CG MET A 78 19.275 40.136 -38.469 1.00 52.15 C ATOM 1135 SD MET A 78 19.656 38.803 -39.619 1.00 73.31 S ATOM 1136 CE MET A 78 21.137 39.441 -40.401 1.00 35.54 C ATOM 0 HA MET A 78 17.768 42.299 -37.643 1.00 2.03 H new ATOM 0 HB2 MET A 78 18.222 41.340 -39.892 1.00 63.14 H new ATOM 0 HB3 MET A 78 19.918 41.748 -39.723 1.00 63.14 H new ATOM 0 HG2 MET A 78 20.100 40.250 -37.766 1.00 52.15 H new ATOM 0 HG3 MET A 78 18.395 39.866 -37.886 1.00 52.15 H new ATOM 0 HE1 MET A 78 21.670 38.626 -40.891 1.00 35.54 H new ATOM 0 HE2 MET A 78 20.863 40.192 -41.142 1.00 35.54 H new ATOM 0 HE3 MET A 78 21.781 39.894 -39.647 1.00 35.54 H new ATOM 1146 N VAL A 79 19.463 42.708 -35.933 1.00 63.22 N ATOM 1147 CA VAL A 79 20.447 42.851 -34.876 1.00 53.31 C ATOM 1148 C VAL A 79 20.936 41.474 -34.443 1.00 34.33 C ATOM 1149 O VAL A 79 20.261 40.771 -33.688 1.00 23.05 O ATOM 1150 CB VAL A 79 19.866 43.603 -33.658 1.00 51.15 C ATOM 1151 CG1 VAL A 79 20.941 43.838 -32.599 1.00 62.34 C ATOM 1152 CG2 VAL A 79 19.243 44.925 -34.094 1.00 20.14 C ATOM 0 H VAL A 79 18.518 42.512 -35.603 1.00 63.22 H new ATOM 0 HA VAL A 79 21.280 43.436 -35.267 1.00 53.31 H new ATOM 0 HB VAL A 79 19.086 42.983 -33.216 1.00 51.15 H new ATOM 0 HG11 VAL A 79 20.507 44.369 -31.752 1.00 62.34 H new ATOM 0 HG12 VAL A 79 21.336 42.879 -32.263 1.00 62.34 H new ATOM 0 HG13 VAL A 79 21.748 44.434 -33.026 1.00 62.34 H new ATOM 0 HG21 VAL A 79 18.839 45.441 -33.223 1.00 20.14 H new ATOM 0 HG22 VAL A 79 20.004 45.548 -34.565 1.00 20.14 H new ATOM 0 HG23 VAL A 79 18.441 44.732 -34.806 1.00 20.14 H new ATOM 1162 N THR A 80 22.088 41.078 -34.958 1.00 24.24 N ATOM 1163 CA THR A 80 22.651 39.773 -34.656 1.00 43.31 C ATOM 1164 C THR A 80 24.070 39.898 -34.112 1.00 22.22 C ATOM 1165 O THR A 80 24.852 40.728 -34.579 1.00 20.53 O ATOM 1166 CB THR A 80 22.640 38.867 -35.904 1.00 4.42 C ATOM 1167 OG1 THR A 80 22.754 39.662 -37.094 1.00 23.43 O ATOM 1168 CG2 THR A 80 21.366 38.041 -35.966 1.00 23.11 C ATOM 0 H THR A 80 22.654 41.645 -35.590 1.00 24.24 H new ATOM 0 HA THR A 80 22.027 39.316 -33.888 1.00 43.31 H new ATOM 0 HB THR A 80 23.492 38.190 -35.836 1.00 4.42 H new ATOM 0 HG1 THR A 80 23.603 40.151 -37.081 1.00 23.43 H new ATOM 0 HG21 THR A 80 21.384 37.411 -36.855 1.00 23.11 H new ATOM 0 HG22 THR A 80 21.296 37.413 -35.078 1.00 23.11 H new ATOM 0 HG23 THR A 80 20.503 38.706 -36.009 1.00 23.11 H new ATOM 1176 N ASN A 81 24.395 39.069 -33.124 1.00 12.13 N ATOM 1177 CA ASN A 81 25.700 39.110 -32.461 1.00 13.33 C ATOM 1178 C ASN A 81 26.791 38.489 -33.324 1.00 53.52 C ATOM 1179 O ASN A 81 27.448 37.524 -32.927 1.00 72.31 O ATOM 1180 CB ASN A 81 25.638 38.396 -31.111 1.00 31.34 C ATOM 1181 CG ASN A 81 24.860 39.177 -30.074 1.00 23.22 C ATOM 1182 OD1 ASN A 81 24.877 40.407 -30.060 1.00 55.05 O ATOM 1183 ND2 ASN A 81 24.160 38.468 -29.203 1.00 51.02 N ATOM 0 H ASN A 81 23.767 38.353 -32.760 1.00 12.13 H new ATOM 0 HA ASN A 81 25.950 40.159 -32.303 1.00 13.33 H new ATOM 0 HB2 ASN A 81 25.178 37.417 -31.243 1.00 31.34 H new ATOM 0 HB3 ASN A 81 26.651 38.226 -30.747 1.00 31.34 H new ATOM 0 HD21 ASN A 81 23.608 38.940 -28.487 1.00 51.02 H new ATOM 0 HD22 ASN A 81 24.172 37.449 -29.248 1.00 51.02 H new ATOM 1190 N ASP A 82 26.982 39.064 -34.494 1.00 32.11 N ATOM 1191 CA ASP A 82 28.009 38.637 -35.431 1.00 24.13 C ATOM 1192 C ASP A 82 28.103 39.645 -36.560 1.00 61.51 C ATOM 1193 O ASP A 82 29.195 40.007 -37.002 1.00 75.51 O ATOM 1194 CB ASP A 82 27.733 37.231 -35.988 1.00 23.52 C ATOM 1195 CG ASP A 82 26.304 37.030 -36.451 1.00 72.21 C ATOM 1196 OD1 ASP A 82 25.545 36.337 -35.744 1.00 63.25 O ATOM 1197 OD2 ASP A 82 25.936 37.549 -37.522 1.00 30.43 O1- ATOM 0 H ASP A 82 26.424 39.850 -34.828 1.00 32.11 H new ATOM 0 HA ASP A 82 28.958 38.587 -34.898 1.00 24.13 H new ATOM 0 HB2 ASP A 82 28.407 37.042 -36.824 1.00 23.52 H new ATOM 0 HB3 ASP A 82 27.964 36.493 -35.219 1.00 23.52 H new ATOM 1202 N TYR A 83 26.948 40.102 -37.012 1.00 2.10 N ATOM 1203 CA TYR A 83 26.873 41.155 -38.001 1.00 61.22 C ATOM 1204 C TYR A 83 25.676 42.042 -37.730 1.00 25.13 C ATOM 1205 O TYR A 83 24.546 41.563 -37.635 1.00 35.42 O ATOM 1206 CB TYR A 83 26.766 40.576 -39.419 1.00 22.35 C ATOM 1207 CG TYR A 83 28.072 40.068 -39.972 1.00 63.34 C ATOM 1208 CD1 TYR A 83 28.918 40.914 -40.669 1.00 54.31 C ATOM 1209 CD2 TYR A 83 28.469 38.753 -39.773 1.00 61.31 C ATOM 1210 CE1 TYR A 83 30.128 40.466 -41.156 1.00 54.50 C ATOM 1211 CE2 TYR A 83 29.677 38.293 -40.262 1.00 43.02 C ATOM 1212 CZ TYR A 83 30.506 39.155 -40.949 1.00 0.23 C ATOM 1213 OH TYR A 83 31.720 38.712 -41.420 1.00 35.22 O ATOM 0 H TYR A 83 26.041 39.753 -36.703 1.00 2.10 H new ATOM 0 HA TYR A 83 27.788 41.743 -37.932 1.00 61.22 H new ATOM 0 HB2 TYR A 83 26.043 39.760 -39.414 1.00 22.35 H new ATOM 0 HB3 TYR A 83 26.375 41.344 -40.086 1.00 22.35 H new ATOM 0 HD1 TYR A 83 28.626 41.941 -40.834 1.00 54.31 H new ATOM 0 HD2 TYR A 83 27.824 38.079 -39.228 1.00 61.31 H new ATOM 0 HE1 TYR A 83 30.777 41.138 -41.697 1.00 54.50 H new ATOM 0 HE2 TYR A 83 29.970 37.265 -40.107 1.00 43.02 H new ATOM 0 HH TYR A 83 32.439 39.253 -41.032 1.00 35.22 H new ATOM 1223 N ILE A 84 25.923 43.327 -37.578 1.00 71.04 N ATOM 1224 CA ILE A 84 24.840 44.288 -37.464 1.00 33.43 C ATOM 1225 C ILE A 84 24.508 44.828 -38.843 1.00 24.33 C ATOM 1226 O ILE A 84 25.301 45.559 -39.431 1.00 13.30 O ATOM 1227 CB ILE A 84 25.195 45.461 -36.523 1.00 35.11 C ATOM 1228 CG1 ILE A 84 25.536 44.938 -35.127 1.00 70.51 C ATOM 1229 CG2 ILE A 84 24.044 46.459 -36.458 1.00 63.41 C ATOM 1230 CD1 ILE A 84 24.421 44.130 -34.497 1.00 21.15 C ATOM 0 H ILE A 84 26.858 43.731 -37.530 1.00 71.04 H new ATOM 0 HA ILE A 84 23.981 43.773 -37.035 1.00 33.43 H new ATOM 0 HB ILE A 84 26.070 45.974 -36.921 1.00 35.11 H new ATOM 0 HG12 ILE A 84 26.432 44.321 -35.188 1.00 70.51 H new ATOM 0 HG13 ILE A 84 25.774 45.782 -34.479 1.00 70.51 H new ATOM 0 HG21 ILE A 84 24.311 47.279 -35.791 1.00 63.41 H new ATOM 0 HG22 ILE A 84 23.847 46.852 -37.455 1.00 63.41 H new ATOM 0 HG23 ILE A 84 23.151 45.960 -36.081 1.00 63.41 H new ATOM 0 HD11 ILE A 84 24.731 43.791 -33.509 1.00 21.15 H new ATOM 0 HD12 ILE A 84 23.530 44.750 -34.404 1.00 21.15 H new ATOM 0 HD13 ILE A 84 24.199 43.266 -35.124 1.00 21.15 H new ATOM 1242 N VAL A 85 23.358 44.440 -39.369 1.00 45.21 N ATOM 1243 CA VAL A 85 22.954 44.861 -40.699 1.00 41.00 C ATOM 1244 C VAL A 85 21.814 45.868 -40.614 1.00 52.13 C ATOM 1245 O VAL A 85 20.646 45.495 -40.475 1.00 43.50 O ATOM 1246 CB VAL A 85 22.522 43.661 -41.573 1.00 62.43 C ATOM 1247 CG1 VAL A 85 22.195 44.109 -42.993 1.00 1.04 C ATOM 1248 CG2 VAL A 85 23.604 42.588 -41.585 1.00 64.33 C ATOM 0 H VAL A 85 22.688 43.834 -38.895 1.00 45.21 H new ATOM 0 HA VAL A 85 23.820 45.329 -41.168 1.00 41.00 H new ATOM 0 HB VAL A 85 21.619 43.234 -41.137 1.00 62.43 H new ATOM 0 HG11 VAL A 85 21.894 43.246 -43.587 1.00 1.04 H new ATOM 0 HG12 VAL A 85 21.381 44.834 -42.968 1.00 1.04 H new ATOM 0 HG13 VAL A 85 23.076 44.568 -43.441 1.00 1.04 H new ATOM 0 HG21 VAL A 85 23.281 41.752 -42.205 1.00 64.33 H new ATOM 0 HG22 VAL A 85 24.526 43.005 -41.990 1.00 64.33 H new ATOM 0 HG23 VAL A 85 23.780 42.238 -40.568 1.00 64.33 H new ATOM 1258 N ASP A 86 22.162 47.143 -40.672 1.00 31.13 N ATOM 1259 CA ASP A 86 21.168 48.204 -40.602 1.00 20.21 C ATOM 1260 C ASP A 86 21.002 48.852 -41.964 1.00 24.31 C ATOM 1261 O ASP A 86 21.937 49.462 -42.493 1.00 74.51 O ATOM 1262 CB ASP A 86 21.569 49.263 -39.568 1.00 4.42 C ATOM 1263 CG ASP A 86 20.435 50.226 -39.247 1.00 33.31 C ATOM 1264 OD1 ASP A 86 19.900 50.163 -38.120 1.00 21.44 O ATOM 1265 OD2 ASP A 86 20.061 51.040 -40.113 1.00 45.22 O1- ATOM 0 H ASP A 86 23.124 47.469 -40.767 1.00 31.13 H new ATOM 0 HA ASP A 86 20.220 47.763 -40.294 1.00 20.21 H new ATOM 0 HB2 ASP A 86 21.890 48.768 -38.652 1.00 4.42 H new ATOM 0 HB3 ASP A 86 22.424 49.826 -39.943 1.00 4.42 H new ATOM 1270 N ILE A 87 19.825 48.692 -42.545 1.00 70.13 N ATOM 1271 CA ILE A 87 19.515 49.332 -43.813 1.00 11.31 C ATOM 1272 C ILE A 87 19.118 50.781 -43.560 1.00 5.45 C ATOM 1273 O ILE A 87 17.938 51.093 -43.370 1.00 31.44 O ATOM 1274 CB ILE A 87 18.381 48.603 -44.568 1.00 73.15 C ATOM 1275 CG1 ILE A 87 18.720 47.116 -44.724 1.00 41.53 C ATOM 1276 CG2 ILE A 87 18.151 49.246 -45.931 1.00 33.35 C ATOM 1277 CD1 ILE A 87 17.622 46.302 -45.377 1.00 31.30 C ATOM 0 H ILE A 87 19.069 48.125 -42.160 1.00 70.13 H new ATOM 0 HA ILE A 87 20.406 49.287 -44.440 1.00 11.31 H new ATOM 0 HB ILE A 87 17.462 48.690 -43.988 1.00 73.15 H new ATOM 0 HG12 ILE A 87 19.630 47.021 -45.316 1.00 41.53 H new ATOM 0 HG13 ILE A 87 18.934 46.697 -43.741 1.00 41.53 H new ATOM 0 HG21 ILE A 87 17.349 48.721 -46.450 1.00 33.35 H new ATOM 0 HG22 ILE A 87 17.873 50.292 -45.798 1.00 33.35 H new ATOM 0 HG23 ILE A 87 19.066 49.186 -46.521 1.00 33.35 H new ATOM 0 HD11 ILE A 87 17.936 45.261 -45.452 1.00 31.30 H new ATOM 0 HD12 ILE A 87 16.716 46.365 -44.775 1.00 31.30 H new ATOM 0 HD13 ILE A 87 17.423 46.694 -46.374 1.00 31.30 H new ATOM 1289 N ALA A 88 20.113 51.652 -43.512 1.00 34.53 N ATOM 1290 CA ALA A 88 19.883 53.050 -43.215 1.00 21.21 C ATOM 1291 C ALA A 88 19.835 53.873 -44.491 1.00 23.43 C ATOM 1292 O ALA A 88 20.127 53.374 -45.577 1.00 54.14 O ATOM 1293 CB ALA A 88 20.963 53.573 -42.275 1.00 40.44 C ATOM 0 H ALA A 88 21.090 51.411 -43.676 1.00 34.53 H new ATOM 0 HA ALA A 88 18.917 53.144 -42.720 1.00 21.21 H new ATOM 0 HB1 ALA A 88 20.779 54.625 -42.059 1.00 40.44 H new ATOM 0 HB2 ALA A 88 20.944 53.003 -41.346 1.00 40.44 H new ATOM 0 HB3 ALA A 88 21.940 53.465 -42.747 1.00 40.44 H new ATOM 1299 N ASN A 89 19.455 55.128 -44.348 1.00 52.24 N ATOM 1300 CA ASN A 89 19.386 56.054 -45.464 1.00 21.13 C ATOM 1301 C ASN A 89 19.756 57.434 -44.954 1.00 22.12 C ATOM 1302 O ASN A 89 19.352 57.810 -43.854 1.00 62.21 O ATOM 1303 CB ASN A 89 17.967 56.068 -46.062 1.00 44.43 C ATOM 1304 CG ASN A 89 17.849 56.871 -47.352 1.00 51.24 C ATOM 1305 OD1 ASN A 89 18.571 57.836 -47.575 1.00 34.21 O ATOM 1306 ND2 ASN A 89 16.922 56.477 -48.211 1.00 52.10 N ATOM 0 H ASN A 89 19.185 55.536 -43.453 1.00 52.24 H new ATOM 0 HA ASN A 89 20.076 55.746 -46.249 1.00 21.13 H new ATOM 0 HB2 ASN A 89 17.654 55.042 -46.254 1.00 44.43 H new ATOM 0 HB3 ASN A 89 17.277 56.479 -45.325 1.00 44.43 H new ATOM 0 HD21 ASN A 89 16.793 56.981 -49.088 1.00 52.10 H new ATOM 0 HD22 ASN A 89 16.337 55.670 -47.995 1.00 52.10 H new ATOM 1313 N ARG A 90 20.540 58.172 -45.721 1.00 34.23 N ATOM 1314 CA ARG A 90 20.907 59.523 -45.338 1.00 61.53 C ATOM 1315 C ARG A 90 20.501 60.501 -46.427 1.00 14.51 C ATOM 1316 O ARG A 90 21.066 60.479 -47.523 1.00 31.12 O ATOM 1317 CB ARG A 90 22.409 59.630 -45.074 1.00 1.00 C ATOM 1318 CG ARG A 90 22.784 60.851 -44.251 1.00 75.44 C ATOM 1319 CD ARG A 90 24.285 61.074 -44.221 1.00 14.21 C ATOM 1320 NE ARG A 90 24.787 61.558 -45.507 1.00 45.22 N ATOM 1321 CZ ARG A 90 25.821 62.390 -45.639 1.00 45.51 C ATOM 1322 NH1 ARG A 90 26.491 62.797 -44.566 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 26.179 62.813 -46.842 1.00 21.12 N ATOM 0 H ARG A 90 20.933 57.860 -46.609 1.00 34.23 H new ATOM 0 HA ARG A 90 20.380 59.770 -44.417 1.00 61.53 H new ATOM 0 HB2 ARG A 90 22.746 58.732 -44.555 1.00 1.00 H new ATOM 0 HB3 ARG A 90 22.938 59.665 -46.027 1.00 1.00 H new ATOM 0 HG2 ARG A 90 22.294 61.732 -44.665 1.00 75.44 H new ATOM 0 HG3 ARG A 90 22.415 60.730 -43.233 1.00 75.44 H new ATOM 0 HD2 ARG A 90 24.530 61.794 -43.441 1.00 14.21 H new ATOM 0 HD3 ARG A 90 24.786 60.141 -43.963 1.00 14.21 H new ATOM 0 HE ARG A 90 24.317 61.240 -46.355 1.00 45.22 H new ATOM 0 HH11 ARG A 90 26.215 62.473 -43.639 1.00 34.45 H new ATOM 0 HH12 ARG A 90 27.281 63.433 -44.669 1.00 34.45 H new ATOM 0 HH21 ARG A 90 25.664 62.502 -47.666 1.00 21.12 H new ATOM 0 HH22 ARG A 90 26.970 63.449 -46.944 1.00 21.12 H new ATOM 1337 N ASP A 91 19.495 61.326 -46.127 1.00 14.33 N ATOM 1338 CA ASP A 91 19.011 62.375 -47.037 1.00 71.02 C ATOM 1339 C ASP A 91 18.183 61.796 -48.182 1.00 43.52 C ATOM 1340 O ASP A 91 17.111 62.308 -48.499 1.00 61.51 O ATOM 1341 CB ASP A 91 20.174 63.213 -47.589 1.00 34.34 C ATOM 1342 CG ASP A 91 19.741 64.177 -48.676 1.00 2.00 C ATOM 1343 OD1 ASP A 91 19.907 63.846 -49.867 1.00 21.24 O ATOM 1344 OD2 ASP A 91 19.252 65.280 -48.345 1.00 32.31 O1- ATOM 0 H ASP A 91 18.989 61.287 -45.242 1.00 14.33 H new ATOM 0 HA ASP A 91 18.362 63.027 -46.452 1.00 71.02 H new ATOM 0 HB2 ASP A 91 20.631 63.774 -46.773 1.00 34.34 H new ATOM 0 HB3 ASP A 91 20.940 62.546 -47.985 1.00 34.34 H new ATOM 1349 N GLY A 92 18.674 60.727 -48.791 1.00 75.32 N ATOM 1350 CA GLY A 92 17.976 60.120 -49.904 1.00 62.34 C ATOM 1351 C GLY A 92 18.688 58.891 -50.429 1.00 52.21 C ATOM 1352 O GLY A 92 18.059 57.982 -50.973 1.00 23.30 O ATOM 0 H GLY A 92 19.547 60.268 -48.532 1.00 75.32 H new ATOM 0 HA2 GLY A 92 16.968 59.847 -49.592 1.00 62.34 H new ATOM 0 HA3 GLY A 92 17.875 60.849 -50.708 1.00 62.34 H new ATOM 1356 N GLN A 93 20.003 58.857 -50.265 1.00 55.42 N ATOM 1357 CA GLN A 93 20.791 57.726 -50.725 1.00 43.03 C ATOM 1358 C GLN A 93 20.969 56.711 -49.602 1.00 53.23 C ATOM 1359 O GLN A 93 21.433 57.047 -48.506 1.00 62.41 O ATOM 1360 CB GLN A 93 22.154 58.190 -51.255 1.00 32.14 C ATOM 1361 CG GLN A 93 22.068 59.184 -52.409 1.00 62.32 C ATOM 1362 CD GLN A 93 21.876 58.536 -53.779 1.00 5.43 C ATOM 1363 OE1 GLN A 93 22.280 59.094 -54.799 1.00 25.23 O ATOM 1364 NE2 GLN A 93 21.283 57.351 -53.822 1.00 33.20 N ATOM 0 H GLN A 93 20.544 59.598 -49.818 1.00 55.42 H new ATOM 0 HA GLN A 93 20.255 57.246 -51.544 1.00 43.03 H new ATOM 0 HB2 GLN A 93 22.713 58.646 -50.438 1.00 32.14 H new ATOM 0 HB3 GLN A 93 22.721 57.318 -51.582 1.00 32.14 H new ATOM 0 HG2 GLN A 93 21.240 59.868 -52.224 1.00 62.32 H new ATOM 0 HG3 GLN A 93 22.979 59.783 -52.427 1.00 62.32 H new ATOM 0 HE21 GLN A 93 20.958 56.912 -52.961 1.00 33.20 H new ATOM 0 HE22 GLN A 93 21.152 56.879 -54.716 1.00 33.20 H new ATOM 1373 N LEU A 94 20.584 55.472 -49.884 1.00 22.14 N ATOM 1374 CA LEU A 94 20.651 54.393 -48.903 1.00 50.31 C ATOM 1375 C LEU A 94 22.086 54.147 -48.455 1.00 43.43 C ATOM 1376 O LEU A 94 23.027 54.217 -49.250 1.00 52.24 O ATOM 1377 CB LEU A 94 20.054 53.098 -49.474 1.00 41.23 C ATOM 1378 CG LEU A 94 18.522 53.009 -49.499 1.00 41.02 C ATOM 1379 CD1 LEU A 94 17.954 53.095 -48.092 1.00 1.43 C ATOM 1380 CD2 LEU A 94 17.922 54.092 -50.384 1.00 42.11 C ATOM 0 H LEU A 94 20.219 55.187 -50.793 1.00 22.14 H new ATOM 0 HA LEU A 94 20.065 54.700 -48.037 1.00 50.31 H new ATOM 0 HB2 LEU A 94 20.421 52.972 -50.493 1.00 41.23 H new ATOM 0 HB3 LEU A 94 20.436 52.259 -48.892 1.00 41.23 H new ATOM 0 HG LEU A 94 18.252 52.041 -49.921 1.00 41.02 H new ATOM 0 HD11 LEU A 94 16.867 53.030 -48.134 1.00 1.43 H new ATOM 0 HD12 LEU A 94 18.344 52.273 -47.491 1.00 1.43 H new ATOM 0 HD13 LEU A 94 18.243 54.044 -47.640 1.00 1.43 H new ATOM 0 HD21 LEU A 94 16.836 54.003 -50.382 1.00 42.11 H new ATOM 0 HD22 LEU A 94 18.207 55.073 -50.003 1.00 42.11 H new ATOM 0 HD23 LEU A 94 18.293 53.977 -51.402 1.00 42.11 H new ATOM 1392 N GLN A 95 22.245 53.863 -47.176 1.00 22.34 N ATOM 1393 CA GLN A 95 23.554 53.636 -46.599 1.00 52.10 C ATOM 1394 C GLN A 95 23.528 52.363 -45.758 1.00 55.53 C ATOM 1395 O GLN A 95 23.079 52.370 -44.611 1.00 20.22 O ATOM 1396 CB GLN A 95 23.958 54.834 -45.737 1.00 54.30 C ATOM 1397 CG GLN A 95 25.461 55.002 -45.570 1.00 4.25 C ATOM 1398 CD GLN A 95 26.122 55.685 -46.759 1.00 5.40 C ATOM 1399 OE1 GLN A 95 27.145 56.356 -46.610 1.00 14.41 O ATOM 1400 NE2 GLN A 95 25.540 55.545 -47.943 1.00 5.31 N ATOM 0 H GLN A 95 21.475 53.784 -46.512 1.00 22.34 H new ATOM 0 HA GLN A 95 24.286 53.518 -47.398 1.00 52.10 H new ATOM 0 HB2 GLN A 95 23.549 55.742 -46.181 1.00 54.30 H new ATOM 0 HB3 GLN A 95 23.504 54.729 -44.752 1.00 54.30 H new ATOM 0 HG2 GLN A 95 25.658 55.584 -44.669 1.00 4.25 H new ATOM 0 HG3 GLN A 95 25.916 54.022 -45.423 1.00 4.25 H new ATOM 0 HE21 GLN A 95 24.694 54.982 -48.032 1.00 5.31 H new ATOM 0 HE22 GLN A 95 25.939 56.000 -48.764 1.00 5.31 H new ATOM 1409 N LEU A 96 23.984 51.268 -46.347 1.00 75.11 N ATOM 1410 CA LEU A 96 23.971 49.980 -45.673 1.00 53.33 C ATOM 1411 C LEU A 96 25.149 49.872 -44.721 1.00 12.32 C ATOM 1412 O LEU A 96 26.302 49.836 -45.146 1.00 51.50 O ATOM 1413 CB LEU A 96 24.017 48.841 -46.698 1.00 11.23 C ATOM 1414 CG LEU A 96 24.061 47.430 -46.104 1.00 54.15 C ATOM 1415 CD1 LEU A 96 22.802 47.148 -45.295 1.00 12.31 C ATOM 1416 CD2 LEU A 96 24.240 46.391 -47.204 1.00 11.35 C ATOM 0 H LEU A 96 24.368 51.246 -47.292 1.00 75.11 H new ATOM 0 HA LEU A 96 23.047 49.899 -45.100 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.142 48.919 -47.343 1.00 11.23 H new ATOM 0 HB3 LEU A 96 24.893 48.979 -47.331 1.00 11.23 H new ATOM 0 HG LEU A 96 24.917 47.367 -45.433 1.00 54.15 H new ATOM 0 HD11 LEU A 96 22.853 46.141 -44.882 1.00 12.31 H new ATOM 0 HD12 LEU A 96 22.722 47.870 -44.482 1.00 12.31 H new ATOM 0 HD13 LEU A 96 21.928 47.231 -45.941 1.00 12.31 H new ATOM 0 HD21 LEU A 96 24.269 45.395 -46.762 1.00 11.35 H new ATOM 0 HD22 LEU A 96 23.406 46.454 -47.903 1.00 11.35 H new ATOM 0 HD23 LEU A 96 25.173 46.580 -47.735 1.00 11.35 H new ATOM 1428 N ASN A 97 24.857 49.827 -43.434 1.00 24.34 N ATOM 1429 CA ASN A 97 25.900 49.738 -42.425 1.00 24.31 C ATOM 1430 C ASN A 97 25.955 48.343 -41.829 1.00 43.41 C ATOM 1431 O ASN A 97 25.018 47.901 -41.165 1.00 33.42 O ATOM 1432 CB ASN A 97 25.682 50.774 -41.320 1.00 32.34 C ATOM 1433 CG ASN A 97 26.082 52.174 -41.745 1.00 4.11 C ATOM 1434 OD1 ASN A 97 27.231 52.583 -41.572 1.00 11.22 O ATOM 1435 ND2 ASN A 97 25.142 52.920 -42.311 1.00 2.51 N ATOM 0 H ASN A 97 23.908 49.851 -43.062 1.00 24.34 H new ATOM 0 HA ASN A 97 26.853 49.947 -42.912 1.00 24.31 H new ATOM 0 HB2 ASN A 97 24.632 50.773 -41.028 1.00 32.34 H new ATOM 0 HB3 ASN A 97 26.257 50.487 -40.440 1.00 32.34 H new ATOM 0 HD21 ASN A 97 25.360 53.867 -42.620 1.00 2.51 H new ATOM 0 HD22 ASN A 97 24.201 52.546 -42.437 1.00 2.51 H new ATOM 1442 N VAL A 98 27.050 47.650 -42.099 1.00 45.14 N ATOM 1443 CA VAL A 98 27.297 46.335 -41.534 1.00 72.02 C ATOM 1444 C VAL A 98 28.443 46.396 -40.533 1.00 15.31 C ATOM 1445 O VAL A 98 29.577 46.738 -40.879 1.00 42.35 O ATOM 1446 CB VAL A 98 27.621 45.288 -42.625 1.00 44.14 C ATOM 1447 CG1 VAL A 98 28.161 44.001 -42.010 1.00 50.42 C ATOM 1448 CG2 VAL A 98 26.382 44.985 -43.450 1.00 24.02 C ATOM 0 H VAL A 98 27.791 47.984 -42.715 1.00 45.14 H new ATOM 0 HA VAL A 98 26.382 46.025 -41.029 1.00 72.02 H new ATOM 0 HB VAL A 98 28.390 45.708 -43.273 1.00 44.14 H new ATOM 0 HG11 VAL A 98 28.380 43.284 -42.801 1.00 50.42 H new ATOM 0 HG12 VAL A 98 29.073 44.218 -41.454 1.00 50.42 H new ATOM 0 HG13 VAL A 98 27.416 43.580 -41.334 1.00 50.42 H new ATOM 0 HG21 VAL A 98 26.625 44.247 -44.214 1.00 24.02 H new ATOM 0 HG22 VAL A 98 25.600 44.591 -42.801 1.00 24.02 H new ATOM 0 HG23 VAL A 98 26.031 45.899 -43.928 1.00 24.02 H new ATOM 1458 N THR A 99 28.129 46.087 -39.291 1.00 13.53 N ATOM 1459 CA THR A 99 29.126 46.036 -38.245 1.00 63.52 C ATOM 1460 C THR A 99 29.643 44.612 -38.078 1.00 34.14 C ATOM 1461 O THR A 99 28.967 43.758 -37.495 1.00 52.04 O ATOM 1462 CB THR A 99 28.548 46.543 -36.914 1.00 15.12 C ATOM 1463 OG1 THR A 99 27.931 47.819 -37.115 1.00 32.14 O ATOM 1464 CG2 THR A 99 29.634 46.670 -35.862 1.00 64.32 C ATOM 0 H THR A 99 27.183 45.866 -38.982 1.00 13.53 H new ATOM 0 HA THR A 99 29.954 46.685 -38.532 1.00 63.52 H new ATOM 0 HB THR A 99 27.809 45.822 -36.564 1.00 15.12 H new ATOM 0 HG1 THR A 99 27.561 48.141 -36.266 1.00 32.14 H new ATOM 0 HG21 THR A 99 29.198 47.031 -34.930 1.00 64.32 H new ATOM 0 HG22 THR A 99 30.094 45.696 -35.694 1.00 64.32 H new ATOM 0 HG23 THR A 99 30.392 47.375 -36.204 1.00 64.32 H new ATOM 1472 N ASP A 100 30.818 44.358 -38.637 1.00 61.11 N ATOM 1473 CA ASP A 100 31.471 43.062 -38.513 1.00 23.41 C ATOM 1474 C ASP A 100 31.902 42.834 -37.073 1.00 63.40 C ATOM 1475 O ASP A 100 32.515 43.708 -36.460 1.00 62.23 O ATOM 1476 CB ASP A 100 32.690 42.993 -39.438 1.00 14.41 C ATOM 1477 CG ASP A 100 33.441 41.682 -39.340 1.00 53.52 C ATOM 1478 OD1 ASP A 100 32.982 40.669 -39.897 1.00 4.12 O ATOM 1479 OD2 ASP A 100 34.515 41.667 -38.718 1.00 11.31 O1- ATOM 0 H ASP A 100 31.343 45.039 -39.186 1.00 61.11 H new ATOM 0 HA ASP A 100 30.764 42.284 -38.802 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.365 43.142 -40.468 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.368 43.811 -39.196 1.00 14.41 H new ATOM 1484 N ARG A 101 31.562 41.679 -36.526 1.00 1.22 N ATOM 1485 CA ARG A 101 31.932 41.358 -35.156 1.00 70.42 C ATOM 1486 C ARG A 101 33.176 40.475 -35.121 1.00 41.44 C ATOM 1487 O ARG A 101 33.898 40.439 -34.125 1.00 3.54 O ATOM 1488 CB ARG A 101 30.783 40.643 -34.446 1.00 70.04 C ATOM 1489 CG ARG A 101 30.971 40.553 -32.947 1.00 12.41 C ATOM 1490 CD ARG A 101 30.066 39.505 -32.326 1.00 13.24 C ATOM 1491 NE ARG A 101 30.437 39.226 -30.940 1.00 14.53 N ATOM 1492 CZ ARG A 101 30.104 38.113 -30.282 1.00 32.32 C ATOM 1493 NH1 ARG A 101 29.340 37.193 -30.861 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 30.533 37.919 -29.043 1.00 52.25 N ATOM 0 H ARG A 101 31.033 40.951 -37.006 1.00 1.22 H new ATOM 0 HA ARG A 101 32.148 42.294 -34.641 1.00 70.42 H new ATOM 0 HB2 ARG A 101 29.851 41.168 -34.658 1.00 70.04 H new ATOM 0 HB3 ARG A 101 30.682 39.637 -34.854 1.00 70.04 H new ATOM 0 HG2 ARG A 101 32.011 40.313 -32.725 1.00 12.41 H new ATOM 0 HG3 ARG A 101 30.765 41.524 -32.496 1.00 12.41 H new ATOM 0 HD2 ARG A 101 29.032 39.848 -32.364 1.00 13.24 H new ATOM 0 HD3 ARG A 101 30.119 38.586 -32.909 1.00 13.24 H new ATOM 0 HE ARG A 101 30.986 39.927 -30.443 1.00 14.53 H new ATOM 0 HH11 ARG A 101 29.004 37.335 -31.814 1.00 20.33 H new ATOM 0 HH12 ARG A 101 29.089 36.345 -30.353 1.00 20.33 H new ATOM 0 HH21 ARG A 101 31.119 38.621 -28.590 1.00 52.25 H new ATOM 0 HH22 ARG A 101 30.277 37.068 -28.542 1.00 52.25 H new ATOM 1508 N LYS A 102 33.426 39.776 -36.220 1.00 25.22 N ATOM 1509 CA LYS A 102 34.504 38.796 -36.279 1.00 51.24 C ATOM 1510 C LYS A 102 35.867 39.473 -36.209 1.00 24.03 C ATOM 1511 O LYS A 102 36.752 39.033 -35.475 1.00 61.52 O ATOM 1512 CB LYS A 102 34.385 37.961 -37.557 1.00 63.24 C ATOM 1513 CG LYS A 102 33.037 37.268 -37.698 1.00 64.00 C ATOM 1514 CD LYS A 102 32.991 36.357 -38.912 1.00 42.35 C ATOM 1515 CE LYS A 102 33.991 35.223 -38.791 1.00 32.33 C ATOM 1516 NZ LYS A 102 33.906 34.285 -39.937 1.00 73.14 N1+ ATOM 0 H LYS A 102 32.895 39.869 -37.086 1.00 25.22 H new ATOM 0 HA LYS A 102 34.414 38.137 -35.416 1.00 51.24 H new ATOM 0 HB2 LYS A 102 34.547 38.606 -38.421 1.00 63.24 H new ATOM 0 HB3 LYS A 102 35.175 37.210 -37.567 1.00 63.24 H new ATOM 0 HG2 LYS A 102 32.833 36.686 -36.800 1.00 64.00 H new ATOM 0 HG3 LYS A 102 32.250 38.018 -37.777 1.00 64.00 H new ATOM 0 HD2 LYS A 102 31.987 35.948 -39.024 1.00 42.35 H new ATOM 0 HD3 LYS A 102 33.202 36.936 -39.811 1.00 42.35 H new ATOM 0 HE2 LYS A 102 34.999 35.633 -38.732 1.00 32.33 H new ATOM 0 HE3 LYS A 102 33.813 34.679 -37.863 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 34.605 33.525 -39.816 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 32.952 33.874 -39.979 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 34.101 34.798 -40.821 1.00 73.14 H new ATOM 1530 N THR A 103 36.027 40.539 -36.975 1.00 32.11 N ATOM 1531 CA THR A 103 37.260 41.313 -36.976 1.00 65.25 C ATOM 1532 C THR A 103 36.970 42.776 -36.642 1.00 51.12 C ATOM 1533 O THR A 103 37.776 43.460 -36.010 1.00 72.12 O ATOM 1534 CB THR A 103 37.967 41.223 -38.345 1.00 3.51 C ATOM 1535 OG1 THR A 103 37.099 41.702 -39.384 1.00 71.14 O ATOM 1536 CG2 THR A 103 38.379 39.791 -38.649 1.00 15.44 C ATOM 0 H THR A 103 35.312 40.892 -37.611 1.00 32.11 H new ATOM 0 HA THR A 103 37.919 40.895 -36.215 1.00 65.25 H new ATOM 0 HB THR A 103 38.862 41.844 -38.304 1.00 3.51 H new ATOM 0 HG1 THR A 103 36.171 41.473 -39.167 1.00 71.14 H new ATOM 0 HG21 THR A 103 38.875 39.753 -39.619 1.00 15.44 H new ATOM 0 HG22 THR A 103 39.063 39.438 -37.877 1.00 15.44 H new ATOM 0 HG23 THR A 103 37.494 39.154 -38.669 1.00 15.44 H new ATOM 1544 N GLY A 104 35.803 43.237 -37.066 1.00 65.24 N ATOM 1545 CA GLY A 104 35.380 44.592 -36.796 1.00 42.41 C ATOM 1546 C GLY A 104 35.522 45.491 -38.001 1.00 24.42 C ATOM 1547 O GLY A 104 35.744 46.694 -37.865 1.00 13.23 O ATOM 0 H GLY A 104 35.133 42.685 -37.601 1.00 65.24 H new ATOM 0 HA2 GLY A 104 34.340 44.587 -36.471 1.00 42.41 H new ATOM 0 HA3 GLY A 104 35.969 44.996 -35.973 1.00 42.41 H new ATOM 1551 N GLN A 105 35.389 44.907 -39.186 1.00 51.35 N ATOM 1552 CA GLN A 105 35.436 45.670 -40.424 1.00 72.04 C ATOM 1553 C GLN A 105 34.158 46.481 -40.590 1.00 12.40 C ATOM 1554 O GLN A 105 33.097 45.928 -40.890 1.00 64.30 O ATOM 1555 CB GLN A 105 35.613 44.746 -41.633 1.00 71.44 C ATOM 1556 CG GLN A 105 36.924 43.985 -41.644 1.00 11.23 C ATOM 1557 CD GLN A 105 37.100 43.159 -42.902 1.00 44.43 C ATOM 1558 OE1 GLN A 105 37.635 43.637 -43.902 1.00 42.45 O ATOM 1559 NE2 GLN A 105 36.664 41.912 -42.862 1.00 23.32 N ATOM 0 H GLN A 105 35.247 43.905 -39.314 1.00 51.35 H new ATOM 0 HA GLN A 105 36.292 46.343 -40.370 1.00 72.04 H new ATOM 0 HB2 GLN A 105 34.790 44.031 -41.654 1.00 71.44 H new ATOM 0 HB3 GLN A 105 35.542 45.340 -42.544 1.00 71.44 H new ATOM 0 HG2 GLN A 105 37.751 44.690 -41.556 1.00 11.23 H new ATOM 0 HG3 GLN A 105 36.969 43.331 -40.773 1.00 11.23 H new ATOM 0 HE21 GLN A 105 36.226 41.552 -42.014 1.00 23.32 H new ATOM 0 HE22 GLN A 105 36.766 41.310 -43.679 1.00 23.32 H new ATOM 1568 N THR A 106 34.250 47.783 -40.370 1.00 25.35 N ATOM 1569 CA THR A 106 33.115 48.665 -40.566 1.00 43.25 C ATOM 1570 C THR A 106 32.766 48.747 -42.049 1.00 44.11 C ATOM 1571 O THR A 106 33.439 49.428 -42.824 1.00 33.22 O ATOM 1572 CB THR A 106 33.403 50.073 -40.014 1.00 61.32 C ATOM 1573 OG1 THR A 106 33.828 49.972 -38.646 1.00 1.35 O ATOM 1574 CG2 THR A 106 32.166 50.957 -40.095 1.00 5.13 C ATOM 0 H THR A 106 35.100 48.251 -40.056 1.00 25.35 H new ATOM 0 HA THR A 106 32.267 48.253 -40.019 1.00 43.25 H new ATOM 0 HB THR A 106 34.189 50.525 -40.619 1.00 61.32 H new ATOM 0 HG1 THR A 106 34.013 50.868 -38.294 1.00 1.35 H new ATOM 0 HG21 THR A 106 32.398 51.945 -39.698 1.00 5.13 H new ATOM 0 HG22 THR A 106 31.851 51.048 -41.135 1.00 5.13 H new ATOM 0 HG23 THR A 106 31.361 50.511 -39.510 1.00 5.13 H new ATOM 1582 N SER A 107 31.734 48.020 -42.443 1.00 30.10 N ATOM 1583 CA SER A 107 31.332 47.967 -43.834 1.00 71.15 C ATOM 1584 C SER A 107 30.150 48.896 -44.087 1.00 42.21 C ATOM 1585 O SER A 107 29.000 48.546 -43.822 1.00 53.14 O ATOM 1586 CB SER A 107 30.980 46.528 -44.217 1.00 62.32 C ATOM 1587 OG SER A 107 32.059 45.655 -43.928 1.00 35.01 O ATOM 0 H SER A 107 31.159 47.458 -41.815 1.00 30.10 H new ATOM 0 HA SER A 107 32.163 48.303 -44.455 1.00 71.15 H new ATOM 0 HB2 SER A 107 30.091 46.208 -43.673 1.00 62.32 H new ATOM 0 HB3 SER A 107 30.739 46.477 -45.279 1.00 62.32 H new ATOM 0 HG SER A 107 31.815 44.739 -44.178 1.00 35.01 H new ATOM 1593 N THR A 108 30.443 50.097 -44.560 1.00 61.34 N ATOM 1594 CA THR A 108 29.406 51.050 -44.904 1.00 45.01 C ATOM 1595 C THR A 108 29.251 51.128 -46.418 1.00 51.14 C ATOM 1596 O THR A 108 30.039 51.780 -47.110 1.00 24.12 O ATOM 1597 CB THR A 108 29.716 52.448 -44.331 1.00 51.54 C ATOM 1598 OG1 THR A 108 30.016 52.345 -42.929 1.00 42.23 O ATOM 1599 CG2 THR A 108 28.534 53.389 -44.526 1.00 12.31 C ATOM 0 H THR A 108 31.394 50.433 -44.714 1.00 61.34 H new ATOM 0 HA THR A 108 28.471 50.705 -44.462 1.00 45.01 H new ATOM 0 HB THR A 108 30.577 52.852 -44.864 1.00 51.54 H new ATOM 0 HG1 THR A 108 29.187 52.412 -42.411 1.00 42.23 H new ATOM 0 HG21 THR A 108 28.777 54.368 -44.114 1.00 12.31 H new ATOM 0 HG22 THR A 108 28.318 53.486 -45.590 1.00 12.31 H new ATOM 0 HG23 THR A 108 27.660 52.986 -44.014 1.00 12.31 H new ATOM 1607 N ILE A 109 28.245 50.436 -46.930 1.00 13.34 N ATOM 1608 CA ILE A 109 28.023 50.355 -48.364 1.00 55.11 C ATOM 1609 C ILE A 109 27.100 51.473 -48.825 1.00 14.15 C ATOM 1610 O ILE A 109 25.970 51.600 -48.347 1.00 1.14 O ATOM 1611 CB ILE A 109 27.422 48.989 -48.796 1.00 61.20 C ATOM 1612 CG1 ILE A 109 28.378 47.829 -48.482 1.00 73.01 C ATOM 1613 CG2 ILE A 109 27.087 48.997 -50.282 1.00 4.42 C ATOM 1614 CD1 ILE A 109 28.388 47.399 -47.028 1.00 12.41 C ATOM 0 H ILE A 109 27.566 49.920 -46.370 1.00 13.34 H new ATOM 0 HA ILE A 109 29.000 50.458 -48.835 1.00 55.11 H new ATOM 0 HB ILE A 109 26.506 48.839 -48.224 1.00 61.20 H new ATOM 0 HG12 ILE A 109 28.105 46.973 -49.099 1.00 73.01 H new ATOM 0 HG13 ILE A 109 29.389 48.120 -48.769 1.00 73.01 H new ATOM 0 HG21 ILE A 109 26.667 48.032 -50.566 1.00 4.42 H new ATOM 0 HG22 ILE A 109 26.360 49.783 -50.487 1.00 4.42 H new ATOM 0 HG23 ILE A 109 27.994 49.182 -50.858 1.00 4.42 H new ATOM 0 HD11 ILE A 109 29.090 46.576 -46.897 1.00 12.41 H new ATOM 0 HD12 ILE A 109 28.692 48.238 -46.402 1.00 12.41 H new ATOM 0 HD13 ILE A 109 27.389 47.074 -46.738 1.00 12.41 H new ATOM 1626 N GLN A 110 27.589 52.289 -49.742 1.00 42.43 N ATOM 1627 CA GLN A 110 26.783 53.347 -50.326 1.00 3.53 C ATOM 1628 C GLN A 110 25.929 52.776 -51.449 1.00 10.22 C ATOM 1629 O GLN A 110 26.447 52.377 -52.491 1.00 61.10 O ATOM 1630 CB GLN A 110 27.672 54.472 -50.856 1.00 51.25 C ATOM 1631 CG GLN A 110 28.581 55.072 -49.799 1.00 2.41 C ATOM 1632 CD GLN A 110 29.437 56.199 -50.337 1.00 4.14 C ATOM 1633 OE1 GLN A 110 29.040 57.363 -50.310 1.00 23.33 O ATOM 1634 NE2 GLN A 110 30.618 55.865 -50.831 1.00 32.10 N ATOM 0 H GLN A 110 28.543 52.239 -50.099 1.00 42.43 H new ATOM 0 HA GLN A 110 26.133 53.762 -49.555 1.00 3.53 H new ATOM 0 HB2 GLN A 110 28.282 54.088 -51.674 1.00 51.25 H new ATOM 0 HB3 GLN A 110 27.041 55.258 -51.271 1.00 51.25 H new ATOM 0 HG2 GLN A 110 27.975 55.444 -48.973 1.00 2.41 H new ATOM 0 HG3 GLN A 110 29.226 54.292 -49.395 1.00 2.41 H new ATOM 0 HE21 GLN A 110 30.911 54.888 -50.835 1.00 32.10 H new ATOM 0 HE22 GLN A 110 31.235 56.584 -51.207 1.00 32.10 H new ATOM 1643 N VAL A 111 24.626 52.709 -51.225 1.00 22.34 N ATOM 1644 CA VAL A 111 23.721 52.137 -52.207 1.00 74.24 C ATOM 1645 C VAL A 111 23.265 53.206 -53.190 1.00 21.00 C ATOM 1646 O VAL A 111 22.813 54.279 -52.783 1.00 75.11 O ATOM 1647 CB VAL A 111 22.494 51.488 -51.532 1.00 73.33 C ATOM 1648 CG1 VAL A 111 21.582 50.842 -52.562 1.00 13.23 C ATOM 1649 CG2 VAL A 111 22.933 50.471 -50.488 1.00 44.35 C ATOM 0 H VAL A 111 24.173 53.043 -50.374 1.00 22.34 H new ATOM 0 HA VAL A 111 24.264 51.360 -52.745 1.00 74.24 H new ATOM 0 HB VAL A 111 21.929 52.274 -51.031 1.00 73.33 H new ATOM 0 HG11 VAL A 111 20.726 50.393 -52.059 1.00 13.23 H new ATOM 0 HG12 VAL A 111 21.234 51.599 -53.265 1.00 13.23 H new ATOM 0 HG13 VAL A 111 22.132 50.071 -53.102 1.00 13.23 H new ATOM 0 HG21 VAL A 111 22.054 50.024 -50.023 1.00 44.35 H new ATOM 0 HG22 VAL A 111 23.526 49.692 -50.966 1.00 44.35 H new ATOM 0 HG23 VAL A 111 23.533 50.968 -49.726 1.00 44.35 H new