3 105 (N_temp, Lch) 92 29.990 1 5i9dA1 ATOM 1001 CA THR 3 -1.167 -2.962 -58.985 6 THR ATOM 1002 CA ASP 4 0.476 -5.170 -56.350 7 VAL ATOM 1003 CA GLU 5 2.507 -2.109 -55.275 8 VAL ATOM 1004 CA GLU 6 -0.602 -0.104 -54.261 9 THR ATOM 1005 CA PHE 7 -1.903 -3.025 -52.074 10 TYR ATOM 1006 CA ASP 8 1.690 -3.473 -50.754 11 ASN ATOM 1007 CA ALA 9 1.855 0.297 -49.804 12 THR ATOM 1008 CA ARG 10 -1.653 0.228 -48.305 13 LEU ATOM 1009 CA TRP 11 -0.921 -3.020 -46.313 14 ILE ATOM 1010 CA VAL 12 2.345 -1.630 -44.880 15 ASP ATOM 1011 CA THR 13 0.689 1.718 -44.015 16 GLY ATOM 1012 CA TYR 14 -2.021 -0.071 -42.025 17 LEU ATOM 1013 CA PHE 15 0.580 -2.360 -40.408 18 CYS ATOM 1014 CA ASN 16 2.393 0.603 -39.038 19 LYS ATOM 1015 CA LYS 17 0.070 1.449 -37.682 20 ALA ATOM 1016 CA PRO 18 -1.872 -0.086 -36.104 21 GLY ATOM 1017 CA ASP 19 -5.052 -1.434 -37.671 22 LYS ATOM 1018 CA ALA 22 -3.670 -4.892 -38.485 23 LEU ATOM 1019 CA TRP 23 -7.174 -6.406 -38.934 24 ASP ATOM 1020 CA GLU 24 -7.801 -3.809 -41.695 25 GLU ATOM 1021 CA LEU 25 -4.500 -4.894 -43.415 26 ALA ATOM 1022 CA ARG 26 -5.284 -8.597 -43.779 27 LEU ATOM 1023 CA LYS 27 -8.690 -8.017 -45.397 28 LYS ATOM 1024 CA GLY 28 -6.890 -6.275 -48.311 29 LEU ATOM 1025 CA MET 29 -4.555 -9.270 -48.575 30 PHE ATOM 1026 CA ASN 30 -7.768 -11.301 -49.103 31 GLU ATOM 1027 CA THR 31 -9.479 -8.654 -51.248 32 GLU ATOM 1028 CA LEU 32 -6.479 -8.574 -53.648 33 MET ATOM 1029 CA VAL 33 -6.309 -12.390 -54.106 34 VAL ATOM 1030 CA GLY 34 -10.061 -12.472 -55.006 35 GLU ATOM 1031 CA TYR 35 -9.461 -9.627 -57.539 36 LYS ATOM 1032 CA ASP 36 -6.894 -11.504 -59.702 37 GLY ATOM 1033 CA LEU 37 -3.917 -9.688 -58.102 38 ILE ATOM 1034 CA VAL 38 -1.343 -12.095 -56.745 39 LYS ATOM 1035 CA PRO 39 0.652 -11.275 -53.595 40 PRO ATOM 1036 CA GLU 40 4.428 -11.348 -53.948 41 ASP ATOM 1037 CA PRO 41 7.490 -11.632 -51.757 42 VAL ATOM 1038 CA LYS 42 7.078 -8.052 -50.475 43 VAL ATOM 1039 CA ILE 43 3.398 -8.547 -49.753 44 THR ATOM 1040 CA ILE 44 4.306 -11.558 -47.535 45 TYR ATOM 1041 CA ASP 45 7.205 -9.680 -45.842 46 ASN ATOM 1042 CA ALA 46 5.022 -6.662 -44.963 47 THR ATOM 1043 CA ALA 47 2.318 -8.758 -43.238 48 LEU ATOM 1044 CA LEU 48 4.996 -10.965 -41.577 49 ILE ATOM 1045 CA ARG 49 6.580 -7.795 -39.999 50 ASP ATOM 1046 CA ALA 50 3.140 -6.403 -39.171 51 GLY ATOM 1047 CA CYS 51 2.200 -9.610 -37.380 52 LEU ATOM 1048 CA ARG 52 5.514 -9.778 -35.427 53 CYS ATOM 1049 CA ARG 53 5.231 -6.175 -34.147 54 LYS ATOM 1050 CA LEU 54 1.640 -6.838 -33.024 55 ALA ATOM 1051 CA ASN 55 3.164 -9.874 -31.170 56 GLY ATOM 1052 CA ASP 56 1.433 -12.457 -33.363 57 LYS ATOM 1053 CA PHE 57 4.686 -14.263 -34.052 58 LEU ATOM 1054 CA ALA 58 3.095 -17.723 -34.257 59 ASP ATOM 1055 CA SER 59 0.581 -16.279 -36.814 60 GLU ATOM 1056 CA ALA 60 3.591 -14.777 -38.680 61 ALA ATOM 1057 CA VAL 61 5.215 -18.176 -39.350 62 LEU ATOM 1058 CA ARG 62 1.847 -19.378 -40.721 63 LYS ATOM 1059 CA ILE 63 2.276 -16.853 -43.617 64 LEU ATOM 1060 CA LEU 64 5.882 -17.878 -44.170 65 PHE ATOM 1061 CA GLU 65 4.653 -21.493 -44.477 66 GLU ATOM 1062 CA VAL 66 1.990 -20.232 -46.924 67 GLU ATOM 1063 CA VAL 67 4.613 -18.398 -49.132 68 MET ATOM 1064 CA LYS 68 6.745 -21.521 -49.513 69 VAL ATOM 1065 CA ASP 69 3.722 -23.712 -50.353 70 GLU ATOM 1066 CA LYS 70 2.896 -21.162 -53.090 71 LYS ATOM 1067 CA ALA 71 6.917 -17.564 -53.548 73 ILE ATOM 1068 CA GLY 72 10.472 -17.939 -52.291 74 LYS ATOM 1069 CA PRO 73 11.372 -16.195 -48.992 75 PRO ATOM 1070 CA HIS 74 14.405 -13.909 -49.610 76 ASP ATOM 1071 CA LYS 75 16.974 -12.207 -47.305 77 VAL ATOM 1072 CA GLU 76 14.360 -9.722 -46.102 78 VAL ATOM 1073 CA ILE 77 11.760 -12.328 -45.112 79 THR ATOM 1074 CA TYR 78 14.475 -14.027 -43.090 80 TYR ATOM 1075 CA PRO 79 15.628 -10.715 -41.422 81 ASN ATOM 1076 CA TYR 80 12.028 -9.860 -40.432 82 THR ATOM 1077 CA VAL 81 11.802 -13.389 -38.888 83 LEU ATOM 1078 CA ILE 82 15.271 -13.167 -37.192 84 ILE ATOM 1079 CA GLN 83 14.345 -9.803 -35.568 85 ASP ATOM 1080 CA GLU 84 10.781 -10.853 -34.603 86 GLY ATOM 1081 CA LEU 85 12.013 -14.014 -32.862 87 LEU ATOM 1082 CA ARG 86 14.761 -12.191 -31.000 88 CYS ATOM 1083 CA PRO 87 12.252 -9.547 -29.720 89 LYS ATOM 1084 CA THR 88 18.803 -21.983 -42.848 102 GLU ATOM 1085 CA LEU 89 19.360 -18.776 -44.871 103 MET ATOM 1086 CA ASN 90 22.763 -20.056 -45.864 104 VAL ATOM 1087 CA GLU 91 21.469 -23.498 -46.668 105 GLU ATOM 1088 CA LEU 92 19.115 -21.968 -49.199 106 LYS ATOM 1089 CA GLY 93 21.785 -19.869 -50.979 107 GLY ATOM 1090 CA ILE 94 20.831 -16.535 -49.388 108 ILE ATOM 1091 CA SER 95 23.829 -14.483 -48.263 109 LYS ATOM 1092 CA THR 96 23.362 -13.032 -44.775 110 PRO TER 45 28.760 2 5ftwA1 ATOM 2001 CA ALA 58 -17.658 -30.304 -12.680 1 ASP ATOM 2002 CA SER 59 -19.891 -28.200 -10.433 2 THR ATOM 2003 CA ALA 60 -17.799 -24.950 -10.817 3 TYR ATOM 2004 CA VAL 61 -17.854 -25.519 -14.549 4 SER ATOM 2005 CA ARG 62 -21.668 -25.713 -14.583 5 VAL ATOM 2006 CA ILE 63 -21.776 -22.704 -12.252 6 PHE ATOM 2007 CA LEU 64 -19.415 -20.676 -14.512 7 THR ATOM 2008 CA GLU 65 -21.729 -21.250 -17.412 8 THR ATOM 2009 CA VAL 66 -24.682 -19.968 -15.391 9 LYS ATOM 2010 CA VAL 67 -22.897 -16.871 -14.084 10 TRP ATOM 2011 CA LYS 68 -21.795 -15.899 -17.550 11 LYS ATOM 2012 CA ASP 69 -25.382 -16.269 -18.761 12 GLN ATOM 2013 CA LYS 70 -26.733 -14.028 -15.924 13 LEU ATOM 2014 CA ALA 71 -24.058 -11.308 -15.868 14 THR ATOM 2015 CA GLY 72 -21.861 -11.681 -18.996 15 GLY ATOM 2016 CA PRO 73 -18.836 -12.178 -16.705 16 VAL ATOM 2017 CA HIS 74 -16.837 -15.209 -17.791 17 ASP ATOM 2018 CA LYS 75 -11.086 -15.651 -17.500 20 LEU ATOM 2019 CA GLU 76 -10.457 -15.366 -13.739 21 TYR ATOM 2020 CA ILE 77 -7.914 -17.350 -11.786 22 LYS ATOM 2021 CA TYR 78 -9.876 -20.501 -10.910 23 GLU ATOM 2022 CA PRO 79 -8.667 -21.840 -7.560 24 ALA ATOM 2023 CA TYR 80 -8.871 -18.299 -6.165 25 GLN ATOM 2024 CA VAL 81 -12.292 -17.135 -7.384 26 MET ATOM 2025 CA ILE 82 -13.762 -20.600 -6.737 27 LYS ATOM 2026 CA GLN 83 -12.714 -20.195 -3.097 28 ARG ATOM 2027 CA GLU 84 -13.979 -16.666 -2.692 29 ARG ATOM 2028 CA LEU 85 -17.414 -17.544 -4.134 30 LEU ATOM 2029 CA ARG 86 -17.672 -20.814 -2.074 31 THR ATOM 2030 CA PRO 87 -16.973 -18.649 0.987 32 SER ATOM 2031 CA THR 88 -19.650 -16.162 -0.044 33 LEU ATOM 2032 CA LEU 89 -22.438 -18.759 -0.758 34 TYR ATOM 2033 CA ASN 90 -21.475 -20.628 2.514 35 GLU ATOM 2034 CA GLU 91 -21.813 -17.444 4.554 36 LYS ATOM 2035 CA LEU 92 -25.384 -17.229 3.154 37 LYS ATOM 2036 CA GLY 93 -25.795 -20.971 4.089 38 GLY ATOM 2037 CA ILE 94 -25.959 -22.334 0.532 39 PHE ATOM 2038 CA SER 95 -24.583 -25.853 0.312 40 GLN ATOM 2039 CA THR 96 -23.668 -25.965 -3.350 41 SER ATOM 2040 CA PRO 97 -22.953 -23.814 -6.362 42 PHE ATOM 2041 CA GLU 98 -26.119 -25.348 -7.879 43 LYS ATOM 2042 CA GLU 99 -28.280 -23.929 -5.060 44 ASP ATOM 2043 CA LEU 100 -26.395 -20.609 -5.082 45 PHE ATOM 2044 CA GLY 101 -26.985 -20.275 -8.849 46 ALA ATOM 2045 CA LEU 102 -30.726 -20.909 -8.396 47 ALA TER 63 31.740 3 5iwwD2 ATOM 3001 CA GLU 2 -32.534 268.135 -1.573 36 PRO ATOM 3002 CA THR 3 -28.862 267.676 -0.914 37 ASP ATOM 3003 CA ASP 4 -25.587 267.323 -2.827 38 GLU ATOM 3004 CA GLU 5 -26.597 263.926 -4.164 39 PHE ATOM 3005 CA GLU 6 -30.226 264.685 -5.058 40 THR ATOM 3006 CA PHE 7 -29.109 267.577 -7.268 41 PHE ATOM 3007 CA ASP 8 -26.434 265.463 -8.971 42 SER ATOM 3008 CA ALA 9 -28.951 262.693 -9.758 43 SER ATOM 3009 CA TRP 11 -31.739 264.850 -11.191 44 VAL ATOM 3010 CA VAL 12 -29.367 267.107 -13.130 45 LEU ATOM 3011 CA THR 13 -27.890 263.999 -14.788 46 LYS ATOM 3012 CA TYR 14 -31.474 262.869 -15.264 47 ALA ATOM 3013 CA PHE 15 -31.898 266.224 -16.994 48 CYS ATOM 3014 CA ASN 16 -28.529 265.687 -18.765 49 ALA ATOM 3015 CA LYS 17 -29.921 262.516 -20.323 50 ARG ATOM 3016 CA PRO 18 -33.011 264.158 -21.727 51 LEU ATOM 3017 CA ILE 20 -34.117 267.337 -23.426 52 GLY ATOM 3018 CA ASP 21 -34.975 268.645 -19.963 53 ALA ATOM 3019 CA ALA 22 -33.123 271.977 -20.170 54 LEU ATOM 3020 CA TRP 23 -36.034 274.128 -18.932 55 GLU ATOM 3021 CA GLU 24 -36.112 272.006 -15.770 56 LEU ATOM 3022 CA LEU 25 -32.335 271.974 -15.395 57 GLY ATOM 3023 CA ARG 26 -32.522 275.765 -15.390 58 LYS ATOM 3024 CA LYS 27 -35.126 275.908 -12.603 59 GLN ATOM 3025 CA GLY 28 -32.977 273.466 -10.622 60 ILE ATOM 3026 CA MET 29 -29.904 275.642 -11.250 61 HIS ATOM 3027 CA ASN 30 -31.863 278.521 -9.708 62 GLY ATOM 3028 CA THR 31 -32.847 276.298 -6.788 63 TYR ATOM 3029 CA LEU 32 -29.250 275.140 -6.448 64 VAL ATOM 3030 CA VAL 33 -28.002 278.751 -6.351 65 ILE ATOM 3031 CA GLY 34 -30.571 279.755 -3.723 66 LYS ATOM 3032 CA TYR 35 -29.927 276.728 -1.438 67 SER ATOM 3033 CA ASP 36 -26.187 277.412 -1.199 68 GLY ATOM 3034 CA LEU 37 -25.067 274.611 -3.517 69 PHE ATOM 3035 CA VAL 38 -23.493 276.423 -6.498 70 GLU ATOM 3036 CA PRO 39 -19.956 275.995 -5.111 71 SER ATOM 3037 CA GLU 40 -20.474 272.275 -4.408 72 ASN ATOM 3038 CA PRO 41 -18.106 270.092 -6.367 73 VAL ATOM 3039 CA LYS 42 -20.428 267.376 -7.593 74 VAL ATOM 3040 CA ILE 43 -23.263 269.828 -8.300 75 VAL ATOM 3041 CA ILE 44 -20.623 271.916 -10.115 76 TYR ATOM 3042 CA ASP 45 -19.921 269.002 -12.404 77 ASN ATOM 3043 CA ALA 46 -23.561 267.949 -12.657 78 ALA ATOM 3044 CA ALA 47 -24.359 271.492 -13.788 79 LEU ATOM 3045 CA LEU 48 -21.436 271.592 -16.232 80 ILE ATOM 3046 CA ARG 49 -22.533 268.144 -17.427 81 ASP ATOM 3047 CA ALA 50 -26.240 269.037 -17.692 82 MET ATOM 3048 CA CYS 51 -25.553 272.188 -19.693 83 TYR ATOM 3049 CA ARG 52 -23.071 270.443 -22.027 84 SER ATOM 3050 CA ARG 53 -25.461 267.602 -22.873 85 LYS ATOM 3051 CA LEU 54 -27.982 270.363 -23.616 86 CYS ATOM 3052 CA ASN 55 -25.764 272.014 -26.258 87 GLY ATOM 3053 CA ASP 56 -25.466 275.417 -24.614 88 LEU ATOM 3054 CA PHE 57 -21.697 275.146 -23.950 89 LEU ATOM 3055 CA ALA 58 -21.100 278.727 -22.895 90 GLU ATOM 3056 CA SER 59 -23.142 278.026 -19.814 91 GLU ATOM 3057 CA ALA 60 -21.045 275.064 -18.975 92 ALA ATOM 3058 CA VAL 61 -18.058 277.369 -19.277 93 ARG ATOM 3059 CA ARG 62 -19.850 279.916 -17.149 94 LYS ATOM 3060 CA ILE 63 -20.417 277.184 -14.543 95 VAL ATOM 3061 CA LEU 64 -16.783 276.045 -14.724 96 PHE ATOM 3062 CA GLU 65 -15.317 279.567 -14.703 97 ASP ATOM 3063 CA VAL 66 -16.236 279.928 -11.006 98 GLU TER