3 113 (N_temp, Lch) 95 56.920 1 2hthB ATOM 1001 CA GLN 13 8.890 -48.858 -31.954 3 VAL ATOM 1002 CA GLU 14 11.128 -51.474 -33.677 4 TRP ATOM 1003 CA LEU 15 13.359 -50.260 -36.505 5 THR ATOM 1004 CA GLY 16 15.938 -51.930 -38.700 6 SER ATOM 1005 CA PRO 17 18.285 -48.961 -38.075 7 GLY ATOM 1006 CA ILE 18 18.589 -47.954 -41.687 8 LEU ATOM 1007 CA GLY 19 14.768 -43.598 -44.829 10 GLU ATOM 1008 CA ASP 20 15.407 -41.944 -48.220 11 ILE ATOM 1009 CA ASN 21 15.562 -38.221 -47.177 12 ASN ATOM 1010 CA GLU 22 16.737 -38.943 -43.654 13 GLU ATOM 1011 CA GLN 23 20.255 -37.820 -42.647 14 THR ATOM 1012 CA LEU 24 22.324 -38.652 -39.592 15 LEU ATOM 1013 CA ALA 25 23.030 -35.515 -37.584 16 VAL ATOM 1014 CA LEU 26 24.960 -36.859 -34.601 17 ILE ATOM 1015 CA ALA 27 25.609 -40.209 -32.867 18 GLN ATOM 1016 CA TYR 28 26.810 -40.993 -29.346 19 GLN ATOM 1017 CA ARG 29 28.005 -44.127 -27.453 20 ARG ATOM 1018 CA VAL 30 17.054 -48.933 -17.925 33 PHE ATOM 1019 CA ILE 31 18.959 -49.418 -21.060 34 ASP ATOM 1020 CA ARG 32 22.797 -48.689 -22.058 35 ALA ATOM 1021 CA ASP 33 23.898 -47.886 -25.657 36 GLY ATOM 1022 CA PHE 34 22.040 -42.896 -29.394 38 LEU ATOM 1023 CA VAL 35 21.465 -41.550 -32.955 39 LEU ATOM 1024 CA PHE 36 19.788 -38.325 -33.910 40 LEU ATOM 1025 CA THR 37 18.695 -38.003 -37.503 41 SER ATOM 1026 CA ASN 38 16.625 -35.406 -39.324 42 THR ATOM 1027 CA LYS 39 13.478 -37.413 -38.565 43 HIS ATOM 1028 CA ARG 40 14.061 -39.672 -35.565 44 ARG ATOM 1029 CA LEU 41 15.913 -40.408 -32.386 45 LEU ATOM 1030 CA ILE 42 17.205 -44.044 -32.757 46 ILE ATOM 1031 CA LEU 43 18.561 -46.220 -29.918 47 TRP ATOM 1032 CA ILE 44 20.738 -49.249 -30.476 48 ARG ATOM 1033 CA ASP 45 21.831 -51.584 -27.661 49 ASP ATOM 1034 CA GLN 47 25.523 -52.352 -26.911 50 GLN ATOM 1035 CA GLY 48 26.310 -56.097 -28.578 51 LYS ATOM 1036 CA VAL 49 22.913 -55.752 -30.347 52 ASN ATOM 1037 CA GLY 51 19.786 -57.762 -29.357 53 HIS ATOM 1038 CA LYS 52 17.391 -56.204 -30.339 54 GLU ATOM 1039 CA LYS 53 16.534 -53.399 -31.152 55 CYS ATOM 1040 CA TYR 56 16.787 -51.088 -32.908 56 CYS ATOM 1041 CA HIS 57 14.174 -48.878 -31.241 57 MET ATOM 1042 CA SER 58 13.154 -45.393 -32.519 58 ALA ATOM 1043 CA VAL 59 10.782 -42.493 -31.885 59 ILE ATOM 1044 CA PRO 60 9.757 -39.831 -34.374 60 LEU ATOM 1045 CA TYR 61 10.982 -36.320 -33.603 61 LEU ATOM 1046 CA LYS 62 7.448 -35.050 -34.215 62 SER ATOM 1047 CA ALA 63 6.590 -36.876 -30.986 63 GLN ATOM 1048 CA ILE 64 8.687 -34.569 -28.886 64 ILE ATOM 1049 CA THR 65 6.841 -31.785 -27.138 65 VAL ATOM 1050 CA HIS 66 9.759 -30.090 -25.335 66 PHE ATOM 1051 CA PHE 67 13.305 -30.731 -24.041 67 ILE ATOM 1052 CA GLU 68 15.391 -29.474 -21.111 68 GLU ATOM 1053 CA VAL 69 18.537 -30.236 -19.131 69 GLU ATOM 1054 CA GLU 70 18.610 -31.473 -15.603 70 GLN ATOM 1055 CA THR 71 21.626 -31.110 -13.303 71 ALA ATOM 1056 CA GLY 73 23.503 -34.244 -11.696 72 ALA ATOM 1057 CA THR 74 24.384 -32.020 -8.808 73 GLY ATOM 1058 CA PHE 75 28.145 -31.660 -8.393 74 ILE ATOM 1059 CA ASP 76 28.876 -34.330 -11.020 75 GLY ATOM 1060 CA ASP 77 27.110 -33.557 -16.950 77 SER ATOM 1061 CA ALA 78 23.370 -32.931 -17.101 78 ALA ATOM 1062 CA GLU 79 20.655 -35.359 -18.179 79 LYS ATOM 1063 CA LEU 80 18.632 -34.466 -21.272 80 ILE ATOM 1064 CA LYS 81 14.908 -34.826 -20.412 81 VAL ATOM 1065 CA LEU 82 12.598 -35.425 -23.363 82 VAL ATOM 1066 CA TRP 83 8.873 -34.772 -23.008 83 HIS ATOM 1067 CA ILE 84 6.686 -36.914 -25.265 84 LEU ATOM 1068 CA SER 85 3.192 -36.252 -26.701 85 HIS ATOM 1069 CA GLY 86 0.876 -39.008 -25.363 86 PRO ATOM 1070 CA GLN 87 -0.624 -41.941 -27.405 87 ALA ATOM 1071 CA LYS 88 4.407 -39.556 -16.221 101 ASN ATOM 1072 CA ASP 89 5.361 -38.885 -19.795 102 SER ATOM 1073 CA PRO 90 8.985 -38.058 -20.436 103 TYR ATOM 1074 CA LEU 91 12.279 -40.006 -20.793 104 ILE ATOM 1075 CA VAL 92 15.781 -39.144 -19.600 105 LYS ATOM 1076 CA LYS 93 18.985 -39.436 -21.541 106 LEU ATOM 1077 CA GLU 94 22.121 -39.814 -19.453 107 SER ATOM 1078 CA LEU 95 25.504 -39.455 -21.054 108 PHE ATOM 1079 CA LYS 96 27.988 -41.798 -19.368 109 LYS ATOM 1080 CA LYS 97 30.699 -41.298 -22.009 110 GLU ATOM 1081 CA GLY 98 29.992 -37.498 -22.280 111 HIS ATOM 1082 CA ASP 100 29.086 -35.525 -25.485 112 GLY ATOM 1083 CA VAL 101 25.833 -34.267 -23.893 113 GLN ATOM 1084 CA VAL 102 26.388 -30.605 -24.654 114 ILE ATOM 1085 CA GLY 103 26.950 -31.337 -28.352 115 GLU ATOM 1086 CA ILE 104 23.969 -33.631 -28.441 116 PHE ATOM 1087 CA GLN 105 21.707 -31.164 -26.620 117 TYR ATOM 1088 CA LYS 106 22.622 -28.489 -29.124 118 ARG ATOM 1089 CA THR 107 21.891 -30.760 -32.109 119 ARG ATOM 1090 CA ILE 108 18.629 -31.940 -30.728 120 LEU ATOM 1091 CA ALA 109 17.608 -28.315 -30.154 121 SER ATOM 1092 CA ASN 110 18.345 -27.338 -33.736 122 GLU ATOM 1093 CA PHE 111 16.455 -30.346 -35.161 123 GLU ATOM 1094 CA SER 112 13.461 -29.451 -32.861 124 MET ATOM 1095 CA LEU 113 13.578 -25.789 -34.155 125 THR TER 94 44.740 2 1zvrA1 ATOM 2001 CA LEU 15 52.872 47.729 29.864 1 MET ATOM 2002 CA GLY 16 50.784 49.244 32.603 2 GLU ATOM 2003 CA PRO 17 49.781 45.971 37.963 4 PRO ATOM 2004 CA ILE 18 51.943 43.389 39.523 5 PRO ATOM 2005 CA GLY 19 50.118 39.197 44.639 7 LEU ATOM 2006 CA ASP 20 49.049 35.557 44.890 8 PRO ATOM 2007 CA ASN 21 45.285 35.709 45.285 9 GLY ATOM 2008 CA GLU 22 45.008 39.221 43.891 10 GLU ATOM 2009 CA GLN 23 43.355 39.974 40.555 11 ASN ATOM 2010 CA LEU 24 42.060 42.734 38.328 12 ILE ATOM 2011 CA ALA 25 38.445 43.770 38.818 13 LYS ATOM 2012 CA LEU 26 38.370 46.665 36.417 14 ASP ATOM 2013 CA ALA 27 40.665 48.646 34.150 15 MET ATOM 2014 CA TYR 28 40.433 52.043 32.511 16 ALA ATOM 2015 CA ARG 29 42.305 53.401 29.513 17 LYS ATOM 2016 CA VAL 30 48.884 65.730 35.054 28 ALA ATOM 2017 CA ILE 31 49.789 62.496 33.310 29 VAL ATOM 2018 CA ARG 32 47.591 60.228 31.194 30 ARG ATOM 2019 CA ASP 33 47.786 56.493 31.766 31 GLY ATOM 2020 CA PHE 34 44.014 52.986 36.028 33 LEU ATOM 2021 CA VAL 35 43.528 49.495 37.387 34 THR ATOM 2022 CA PHE 36 41.547 48.209 40.338 35 VAL ATOM 2023 CA THR 37 42.203 44.820 41.922 36 THR ATOM 2024 CA ASN 38 40.852 43.200 44.979 37 ASN ATOM 2025 CA LYS 39 43.728 44.661 46.924 38 TYR ATOM 2026 CA ARG 40 44.979 47.845 45.315 39 ARG ATOM 2027 CA LEU 41 44.516 50.898 43.072 40 LEU ATOM 2028 CA ILE 42 47.215 50.908 40.424 41 TYR ATOM 2029 CA LEU 43 47.789 53.804 38.019 42 PHE ATOM 2030 CA ILE 44 50.613 53.799 35.460 43 LYS ATOM 2031 CA ASP 45 51.659 56.042 32.629 44 SER ATOM 2032 CA LYS 46 54.247 55.283 29.971 45 MET ATOM 2033 CA GLN 47 53.791 58.919 28.929 46 GLU ATOM 2034 CA GLY 48 56.802 59.613 31.088 47 ARG ATOM 2035 CA VAL 49 60.242 58.159 31.771 48 ASP ATOM 2036 CA LYS 53 60.878 56.116 34.627 49 PRO ATOM 2037 CA VAL 54 57.343 55.115 33.856 50 PRO ATOM 2038 CA SER 55 54.927 56.934 36.272 51 PHE ATOM 2039 CA TYR 56 53.452 54.582 38.860 52 VAL ATOM 2040 CA HIS 57 50.917 55.177 41.622 53 LEU ATOM 2041 CA SER 58 50.279 52.096 43.739 54 ASP ATOM 2042 CA VAL 59 47.964 52.453 46.725 55 ALA ATOM 2043 CA PRO 60 46.319 49.683 48.708 56 SER ATOM 2044 CA TYR 61 42.527 49.971 48.649 57 LEU ATOM 2045 CA LYS 62 42.451 49.770 52.431 58 GLY ATOM 2046 CA ALA 63 43.649 53.372 52.674 59 VAL ATOM 2047 CA ILE 64 40.629 54.694 50.824 60 ILE ATOM 2048 CA THR 65 38.121 56.393 53.145 61 ASN ATOM 2049 CA HIS 66 35.879 57.963 50.552 62 ARG ATOM 2050 CA PHE 67 35.374 57.954 46.777 63 VAL ATOM 2051 CA GLU 68 33.825 61.165 45.412 64 GLU ATOM 2052 CA VAL 69 32.452 61.958 41.957 65 LYS ATOM 2053 CA GLU 70 34.192 65.084 40.693 66 ILE ATOM 2054 CA THR 71 32.333 67.327 38.276 67 GLY ATOM 2055 CA ALA 72 29.311 66.322 36.238 68 GLY ATOM 2056 CA GLY 73 27.501 66.988 32.967 69 ALA ATOM 2057 CA THR 74 27.714 70.746 33.409 70 SER ATOM 2058 CA PHE 75 36.385 72.511 32.087 73 GLY ATOM 2059 CA ASP 76 39.465 70.407 31.358 74 GLU ATOM 2060 CA ASP 77 36.947 68.411 35.490 76 SER ATOM 2061 CA ALA 78 35.045 65.163 35.139 77 TYR ATOM 2062 CA GLU 79 36.461 62.453 37.350 78 GLY ATOM 2063 CA LEU 80 37.015 60.818 40.711 79 LEU ATOM 2064 CA LYS 81 38.809 61.631 43.948 80 GLU ATOM 2065 CA LEU 82 39.788 59.054 46.556 81 THR ATOM 2066 CA TRP 83 40.256 60.478 50.083 82 VAL ATOM 2067 CA ILE 84 42.941 58.402 51.825 83 CYS ATOM 2068 CA SER 85 43.895 57.422 55.351 84 LYS ATOM 2069 CA GLY 86 47.594 57.933 54.729 85 ASP ATOM 2070 CA GLN 87 47.760 61.671 54.494 86 ILE ATOM 2071 CA LYS 88 46.758 62.219 50.917 87 ARG ATOM 2072 CA ASP 89 43.919 62.367 48.416 88 ASN ATOM 2073 CA LEU 91 44.216 60.969 44.886 89 LEU ATOM 2074 CA VAL 92 42.400 62.369 41.904 90 ARG ATOM 2075 CA LYS 93 41.884 61.213 38.344 91 PHE ATOM 2076 CA GLU 94 40.115 62.744 35.322 92 ALA ATOM 2077 CA LEU 95 38.020 60.660 32.948 93 HIS ATOM 2078 CA LYS 96 36.495 61.535 29.581 94 LYS ATOM 2079 CA LYS 97 32.678 61.387 29.722 95 PRO ATOM 2080 CA GLY 98 32.588 59.637 26.337 96 GLU ATOM 2081 CA THR 99 35.187 57.163 27.563 97 GLY ATOM 2082 CA ASP 100 32.524 55.711 29.861 98 ARG ATOM 2083 CA VAL 101 34.198 56.696 35.524 100 ARG ATOM 2084 CA VAL 102 31.057 54.820 36.547 101 ARG ATOM 2085 CA GLY 103 32.687 51.402 36.349 102 SER ATOM 2086 CA ILE 104 35.762 52.584 38.257 103 ILE ATOM 2087 CA GLN 105 33.709 54.401 40.878 104 PHE ATOM 2088 CA LYS 106 31.612 51.283 41.419 105 GLU ATOM 2089 CA THR 107 34.519 48.859 41.566 106 ASN ATOM 2090 CA ILE 108 36.446 51.149 43.929 107 LEU ATOM 2091 CA ALA 109 33.421 51.379 46.219 108 MET ATOM 2092 CA ASN 110 33.018 47.618 46.074 109 LYS ATOM 2093 CA PHE 111 36.611 46.500 46.569 110 TYR ATOM 2094 CA SER 112 37.838 49.254 48.911 111 ALA TER 101 66.900 3 2cayA ATOM 3001 CA LEU 8 20.617 22.344 28.665 8 TYR ATOM 3002 CA ASP 9 19.972 23.483 32.286 9 VAL ATOM 3003 CA GLU 10 20.450 21.220 35.353 10 GLU ATOM 3004 CA LEU 11 17.885 21.310 38.147 11 THR ATOM 3005 CA ALA 12 17.298 19.747 41.562 12 THR ATOM 3006 CA GLN 13 14.847 16.845 41.786 13 SER ATOM 3007 CA GLU 14 12.201 19.388 42.890 14 SER ATOM 3008 CA LEU 15 12.761 21.545 39.759 15 GLY ATOM 3009 CA GLY 16 14.944 24.291 41.142 16 GLN ATOM 3010 CA PRO 17 17.566 25.465 38.573 17 PRO ATOM 3011 CA ILE 18 21.243 25.257 39.495 18 LEU ATOM 3012 CA GLY 19 25.939 30.074 37.904 20 ARG ATOM 3013 CA ASP 20 28.261 31.855 40.326 21 GLU ATOM 3014 CA ASN 21 26.793 35.291 41.078 22 GLY ATOM 3015 CA GLU 22 23.737 34.604 38.897 23 GLU ATOM 3016 CA GLN 23 20.556 35.743 40.740 24 LYS ATOM 3017 CA LEU 24 16.833 35.113 40.140 25 ASP ATOM 3018 CA ALA 25 14.735 38.184 39.323 26 ILE ATOM 3019 CA LEU 26 11.319 36.879 38.374 27 PHE ATOM 3020 CA ALA 27 9.344 33.674 37.864 28 ILE ATOM 3021 CA TYR 28 6.044 32.770 36.122 29 ASP ATOM 3022 CA ARG 29 4.155 29.467 35.797 30 GLN ATOM 3023 CA VAL 30 8.090 21.957 26.193 44 ARG ATOM 3024 CA ILE 31 4.540 23.222 26.594 45 GLN ATOM 3025 CA ARG 32 4.158 23.503 30.404 46 ARG ATOM 3026 CA ASP 33 6.945 24.793 32.600 47 GLY ATOM 3027 CA PHE 34 9.899 30.386 33.428 49 ILE ATOM 3028 CA VAL 35 12.733 32.069 35.393 50 PHE ATOM 3029 CA PHE 36 14.408 35.337 34.590 51 LEU ATOM 3030 CA THR 37 17.894 35.765 36.008 52 THR ATOM 3031 CA ASN 38 20.486 38.469 35.725 53 SER ATOM 3032 CA LYS 39 22.061 36.422 32.861 54 GLN ATOM 3033 CA ARG 40 19.461 34.056 31.389 55 ARG ATOM 3034 CA LEU 41 15.887 33.093 30.670 56 ILE ATOM 3035 CA ILE 42 15.350 29.569 31.935 57 ILE ATOM 3036 CA LEU 43 12.551 27.137 31.178 58 TYR ATOM 3037 CA ILE 44 11.943 24.444 33.857 59 ILE ATOM 3038 CA ASP 45 9.822 21.600 32.480 60 ASP ATOM 3039 CA GLN 47 6.912 20.642 34.765 61 ASP ATOM 3040 CA GLY 48 6.906 16.938 33.783 62 ALA ATOM 3041 CA VAL 49 10.653 16.177 33.515 63 LYS ATOM 3042 CA THR 50 12.652 19.067 35.056 64 PRO ATOM 3043 CA GLY 51 16.012 17.255 35.211 65 THR ATOM 3044 CA LYS 52 15.790 16.265 31.518 66 GLN ATOM 3045 CA LYS 53 13.763 18.833 29.577 67 ASN ATOM 3046 CA VAL 54 14.812 22.185 31.084 68 SER ATOM 3047 CA HIS 57 16.453 24.834 28.857 69 LEU ATOM 3048 CA SER 58 18.338 28.113 29.076 70 GLY ATOM 3049 CA VAL 59 18.798 31.098 26.805 71 LEU ATOM 3050 CA PRO 60 21.559 33.725 27.305 72 GLU ATOM 3051 CA TYR 61 20.285 37.320 27.586 73 LEU ATOM 3052 CA LYS 62 23.594 38.279 25.925 74 ASP ATOM 3053 CA ALA 63 22.352 36.533 22.703 75 ASP ATOM 3054 CA ILE 64 19.244 38.786 22.472 76 LEU ATOM 3055 CA THR 65 18.667 42.114 20.749 77 ALA ATOM 3056 CA HIS 66 14.983 42.818 21.557 78 TYR ATOM 3057 CA PHE 67 11.983 41.448 23.377 79 VAL ATOM 3058 CA GLU 68 8.404 42.366 22.370 80 ASN ATOM 3059 CA VAL 69 5.150 41.691 24.261 81 TYR ATOM 3060 CA GLU 70 2.091 40.622 22.210 82 SER ATOM 3061 CA THR 71 -1.207 40.737 24.128 83 SER ATOM 3062 CA GLY 73 -3.185 37.741 22.862 84 GLY ATOM 3063 CA THR 74 -5.629 39.182 20.319 85 PHE ATOM 3064 CA PHE 75 -5.098 36.460 17.664 86 LEU ATOM 3065 CA ASP 76 -3.240 34.080 19.970 87 THR ATOM 3066 CA ASP 77 -2.313 33.298 25.229 89 SER ATOM 3067 CA ALA 78 -0.233 36.495 25.390 90 PRO ATOM 3068 CA GLU 79 3.333 36.005 24.057 91 ARG ATOM 3069 CA LEU 80 6.756 37.372 24.760 92 LEU ATOM 3070 CA LYS 81 8.789 37.373 21.472 93 ILE ATOM 3071 CA LEU 82 12.599 37.126 21.757 94 LEU ATOM 3072 CA TRP 83 14.754 38.481 18.889 95 PHE ATOM 3073 CA ILE 84 18.348 37.193 18.552 96 PHE ATOM 3074 CA SER 85 21.381 39.291 17.659 97 LYS ATOM 3075 CA GLY 86 22.551 36.724 15.087 98 ASP ATOM 3076 CA GLN 87 19.673 34.641 13.622 99 PRO ATOM 3077 CA LYS 88 12.301 32.660 10.836 103 THR ATOM 3078 CA ASP 89 14.463 31.961 13.909 104 GLU ATOM 3079 CA PRO 90 13.165 33.675 17.042 105 PHE ATOM 3080 CA LEU 91 11.626 32.450 20.291 106 VAL ATOM 3081 CA VAL 92 8.285 32.981 22.010 107 GLN ATOM 3082 CA LYS 93 7.203 32.437 25.580 108 LEU ATOM 3083 CA GLU 94 3.487 31.721 25.781 109 SER ATOM 3084 CA LEU 95 1.679 32.568 29.044 110 PHE ATOM 3085 CA LYS 96 -1.221 30.186 29.810 111 ARG ATOM 3086 CA LYS 97 -2.054 31.168 33.394 112 LYS ATOM 3087 CA GLY 98 -1.009 34.853 33.587 113 SER ATOM 3088 CA ASP 100 -0.989 37.862 31.247 114 ASP ATOM 3089 CA VAL 101 2.825 37.625 31.268 115 GLY ATOM 3090 CA VAL 102 3.101 41.379 31.866 116 VAL ATOM 3091 CA GLY 103 5.304 41.519 34.974 117 LEU ATOM 3092 CA ILE 104 7.620 38.853 33.512 118 PHE ATOM 3093 CA GLN 105 7.931 40.723 30.229 119 SER ATOM 3094 CA LYS 106 8.568 44.064 31.957 120 GLN ATOM 3095 CA THR 107 11.309 42.525 34.137 121 ALA ATOM 3096 CA ILE 108 12.870 40.862 31.021 122 THR ATOM 3097 CA ALA 109 12.879 44.184 29.105 123 GLU ATOM 3098 CA ASN 110 14.789 45.756 32.028 124 ARG ATOM 3099 CA PHE 111 17.272 42.847 32.420 125 ALA ATOM 3100 CA SER 112 17.970 42.929 28.661 126 LEU ATOM 3101 CA LEU 113 18.428 46.709 28.641 127 GLU TER