3 115 (N_temp, Lch) 104 134.150 1 4hbrA ATOM 1001 CA GLN 1 81.523 21.608 -29.431 3 TYR ATOM 1002 CA LEU 2 82.423 20.886 -25.800 4 ALA ATOM 1003 CA PRO 3 85.172 18.573 -24.402 5 PRO ATOM 1004 CA LEU 4 83.982 15.107 -23.208 6 ASP ATOM 1005 CA PRO 5 84.854 15.988 -19.557 7 SER ATOM 1006 CA ALA 6 82.582 19.100 -19.735 8 VAL ATOM 1007 CA ARG 7 79.692 17.080 -21.289 9 GLN ATOM 1008 CA ASN 8 80.102 14.365 -18.531 10 ILE ATOM 1009 CA PHE 9 80.093 17.133 -15.839 11 ALA ATOM 1010 CA ILE 10 76.760 18.588 -17.148 12 LEU ATOM 1011 CA ASN 11 75.199 15.064 -17.343 13 LYS ATOM 1012 CA ARG 12 76.106 14.554 -13.613 14 LYS ATOM 1013 CA PHE 14 71.275 17.426 -15.097 15 TYR ATOM 1014 CA THR 15 70.796 13.765 -16.130 16 PRO ATOM 1015 CA LYS 16 67.405 14.545 -17.782 17 THR ATOM 1016 CA PRO 17 68.860 17.419 -19.931 18 ALA ATOM 1017 CA GLU 18 68.187 16.813 -23.636 19 ALA ATOM 1018 CA VAL 19 68.778 18.721 -26.890 20 GLY ATOM 1019 CA SER 20 71.793 20.505 -25.411 21 ILE ATOM 1020 CA HIS 21 73.347 23.246 -27.587 22 ALA ATOM 1021 CA ILE 22 77.008 24.008 -26.801 23 TRP ATOM 1022 CA LYS 23 78.729 27.344 -27.489 24 SER ATOM 1023 CA ILE 24 81.736 29.341 -26.267 25 GLN ATOM 1024 CA ASP 25 81.621 32.549 -24.201 26 ASP ATOM 1025 CA LYS 26 85.158 33.967 -23.675 27 LYS ATOM 1026 CA THR 31 87.155 31.036 -22.089 28 ALA ATOM 1027 CA LYS 32 83.928 29.248 -21.026 29 TYR ATOM 1028 CA TYR 33 81.840 26.440 -22.608 30 TYR ATOM 1029 CA GLU 34 78.083 27.145 -22.333 31 VAL ATOM 1030 CA VAL 35 75.372 24.461 -22.256 32 ALA ATOM 1031 CA LEU 36 71.934 25.683 -23.394 33 ASP ATOM 1032 CA LEU 37 68.808 23.445 -22.759 34 PHE ATOM 1033 CA THR 38 65.247 23.428 -21.289 35 VAL ATOM 1034 CA ASP 39 61.427 22.157 -15.934 36 ASN ATOM 1035 CA GLY 40 59.979 24.389 -18.729 37 GLY ATOM 1036 CA THR 41 68.734 27.068 -18.739 40 THR ATOM 1037 CA GLU 42 72.385 27.919 -19.433 41 ARG ATOM 1038 CA ILE 43 75.432 26.504 -17.556 42 VAL ATOM 1039 CA GLU 44 79.022 27.915 -17.916 43 TRP ATOM 1040 CA PHE 45 82.055 25.631 -17.592 44 PHE ATOM 1041 CA ASP 46 85.830 26.132 -17.477 45 THR ATOM 1042 CA SER 47 87.774 23.866 -19.955 46 PRO ATOM 1043 CA LYS 48 88.650 21.768 -16.794 47 ASP ATOM 1044 CA GLY 49 84.864 20.884 -16.469 48 ALA ATOM 1045 CA ASN 50 84.234 23.156 -13.420 49 GLU ATOM 1046 CA TRP 51 80.792 24.836 -13.500 50 TRP ATOM 1047 CA GLU 52 81.063 28.598 -12.696 51 VAL ATOM 1048 CA VAL 54 73.948 28.801 -13.965 52 LYS ATOM 1049 CA SER 55 71.094 30.866 -15.460 53 GLN ATOM 1050 CA ALA 56 67.329 30.056 -15.338 54 THR ATOM 1051 CA VAL 61 65.039 32.224 -17.508 55 ASP ATOM 1052 CA ILE 62 62.029 32.577 -15.226 56 TRP ATOM 1053 CA PRO 63 60.764 35.216 -17.797 57 GLU ATOM 1054 CA ALA 64 58.118 38.509 -12.118 59 LEU ATOM 1055 CA SER 65 55.804 35.960 -10.451 60 ASP ATOM 1056 CA ILE 66 58.940 33.760 -9.931 61 GLU ATOM 1057 CA VAL 67 61.148 36.332 -8.126 62 VAL ATOM 1058 CA PRO 68 61.658 36.724 -4.332 63 PRO ATOM 1059 CA ASN 69 59.034 39.163 -2.877 64 ALA ATOM 1060 CA PHE 70 61.804 41.670 -1.859 65 ALA ATOM 1061 CA ALA 71 62.888 41.877 -5.589 66 VAL ATOM 1062 CA VAL 72 59.231 42.098 -6.785 67 PHE ATOM 1063 CA ASP 73 58.522 44.997 -4.358 68 ASN ATOM 1064 CA TYR 74 61.826 46.829 -5.246 69 ALA ATOM 1065 CA LEU 75 61.003 46.501 -8.984 70 PHE ATOM 1066 CA LYS 76 57.351 47.670 -8.353 71 ALA ATOM 1067 CA ALA 77 58.688 50.759 -6.469 72 ALA ATOM 1068 CA HIS 78 61.279 53.918 -12.121 74 GLU ATOM 1069 CA PHE 80 60.875 50.785 -14.364 75 PHE ATOM 1070 CA ALA 81 57.619 49.515 -12.710 76 SER ATOM 1071 CA ALA 82 55.535 50.832 -15.690 77 ASP ATOM 1072 CA GLU 83 57.888 49.243 -18.291 78 GLY ATOM 1073 CA GLY 84 57.501 46.049 -20.374 79 VAL ATOM 1074 CA VAL 85 59.293 43.083 -18.705 80 VAL ATOM 1075 CA THR 86 61.280 41.262 -21.450 81 GLN ATOM 1076 CA LYS 87 63.116 38.672 -19.315 82 ASN ATOM 1077 CA VAL 88 63.739 37.553 -15.711 83 VAL ATOM 1078 CA GLU 89 66.813 35.435 -14.968 84 THR ATOM 1079 CA ARG 90 67.905 33.646 -11.762 85 TRP ATOM 1080 CA ASP 91 78.568 33.469 -4.504 91 TRP ATOM 1081 CA ARG 92 75.014 34.615 -3.654 92 GLN ATOM 1082 CA LYS 93 72.343 34.307 -6.442 93 PRO ATOM 1083 CA GLY 94 71.255 37.344 -8.511 94 ILE ATOM 1084 CA TYR 95 67.898 38.294 -10.092 95 VAL ATOM 1085 CA GLU 96 68.503 39.963 -13.550 96 ALA ATOM 1086 CA VAL 97 65.434 41.822 -14.945 97 ILE ATOM 1087 CA GLU 98 65.349 43.159 -18.543 98 GLN ATOM 1088 CA LEU 99 62.687 45.829 -18.976 99 VAL ATOM 1089 CA SER 100 61.846 47.991 -21.972 100 GLY ATOM 1090 CA THR 101 60.564 51.586 -21.904 101 LYS ATOM 1091 CA GLY 102 65.907 48.938 -22.818 105 LYS ATOM 1092 CA VAL 103 67.324 48.412 -19.306 106 TYR ATOM 1093 CA SER 104 68.859 45.579 -17.282 107 GLN ATOM 1094 CA PHE 105 68.676 45.700 -13.476 108 ILE ATOM 1095 CA LYS 106 70.640 43.254 -11.281 109 LEU ATOM 1096 CA PHE 107 69.204 42.622 -7.821 110 PHE ATOM 1097 CA ASP 108 70.284 40.743 -4.741 111 THR ATOM 1098 CA LYS 109 67.485 38.406 -3.345 112 PRO ATOM 1099 CA LYS 110 66.919 41.158 -0.668 113 LYS ATOM 1100 CA GLY 111 65.966 43.692 -3.399 114 GLY ATOM 1101 CA LYS 112 69.252 45.716 -3.358 115 GLU ATOM 1102 CA PHE 113 70.239 47.135 -6.784 116 VAL ATOM 1103 CA VAL 114 73.733 45.892 -7.818 117 LEU ATOM 1104 CA LYS 115 73.624 47.508 -11.312 118 ARG TER 62 177.670 2 3elgA2 ATOM 2001 CA TRP 51 4.602 9.408 10.672 1 TRP ATOM 2002 CA GLU 52 5.726 9.881 7.087 2 LEU ATOM 2003 CA GLU 53 9.263 11.154 7.525 3 GLU ATOM 2004 CA VAL 54 11.693 11.138 10.391 4 ILE ATOM 2005 CA SER 55 14.749 13.354 9.841 5 ASP ATOM 2006 CA ALA 56 17.349 13.179 12.619 6 CYS ATOM 2007 CA ARG 57 19.775 15.286 10.644 7 LYS ATOM 2008 CA LYS 58 23.226 14.003 11.761 8 ASN ATOM 2009 CA GLY 59 22.018 11.467 14.262 9 LYS ATOM 2010 CA VAL 61 20.602 8.000 13.769 10 SER ATOM 2011 CA ILE 62 16.919 7.329 13.388 11 VAL ATOM 2012 CA PRO 63 15.622 5.427 16.399 12 PRO ATOM 2013 CA ALA 64 15.821 1.770 15.395 13 SER ATOM 2014 CA SER 65 12.184 1.052 16.264 14 THR ATOM 2015 CA ILE 66 11.126 2.890 13.119 15 PHE ATOM 2016 CA VAL 67 13.190 0.690 10.765 16 ILE ATOM 2017 CA PRO 68 11.465 -2.526 9.717 17 PRO ATOM 2018 CA ASN 69 13.385 -5.660 10.719 18 GLN ATOM 2019 CA PHE 70 13.890 -6.847 7.114 19 ALA ATOM 2020 CA ALA 71 15.345 -3.423 6.253 20 ILE ATOM 2021 CA VAL 72 17.682 -3.288 9.288 21 SER ATOM 2022 CA ASP 73 18.952 -6.755 8.327 22 LYS ATOM 2023 CA TYR 74 19.676 -5.553 4.849 23 TYR ATOM 2024 CA LYS 76 23.561 -4.286 8.479 24 LYS ATOM 2025 CA ALA 77 24.651 -6.710 5.750 25 ALA ATOM 2026 CA HIS 78 25.198 -4.107 3.052 26 ASN ATOM 2027 CA PHE 80 25.652 -0.667 4.464 27 TYR ATOM 2028 CA ALA 81 27.245 -1.665 7.768 28 ASN ATOM 2029 CA ALA 82 28.774 0.992 10.000 29 GLY ATOM 2030 CA GLU 83 26.698 3.671 8.201 30 HIS ATOM 2031 CA GLY 84 24.056 5.649 10.079 31 LYS ATOM 2032 CA VAL 85 20.522 6.034 8.807 32 THR ATOM 2033 CA THR 86 19.782 9.673 9.584 33 VAL ATOM 2034 CA LYS 87 16.432 9.954 7.793 34 LYS ATOM 2035 CA VAL 88 13.618 7.566 6.960 35 ILE ATOM 2036 CA GLU 89 10.558 8.179 4.821 36 GLU ATOM 2037 CA ARG 90 7.659 5.826 4.219 37 ARG ATOM 2038 CA ASP 91 4.959 6.001 1.659 38 ASN ATOM 2039 CA ARG 92 2.524 3.769 -0.185 39 ARG ATOM 2040 CA LYS 93 5.373 2.460 -2.362 40 LYS ATOM 2041 CA GLY 94 7.795 1.665 0.452 41 GLY ATOM 2042 CA TYR 95 10.708 3.069 2.414 42 TYR ATOM 2043 CA GLU 96 13.605 5.380 1.714 43 GLU ATOM 2044 CA VAL 97 16.512 5.427 4.101 44 LEU ATOM 2045 CA GLU 98 19.029 8.232 3.849 45 THR ATOM 2046 CA LEU 99 22.539 7.726 5.122 46 LEU ATOM 2047 CA SER 100 24.856 10.254 6.688 47 GLU ATOM 2048 CA THR 101 26.682 10.524 3.337 48 ASN ATOM 2049 CA GLY 102 23.453 11.333 1.569 49 GLY ATOM 2050 CA VAL 103 23.032 7.993 -0.144 50 LEU ATOM 2051 CA SER 104 19.337 7.039 -0.309 51 GLU ATOM 2052 CA PHE 105 18.508 3.381 -0.050 52 VAL ATOM 2053 CA LYS 106 15.074 2.450 -1.431 53 ASP ATOM 2054 CA PHE 107 12.915 -0.514 -0.399 54 PHE ATOM 2055 CA ASP 108 9.443 -1.766 -1.274 55 ASP ATOM 2056 CA LYS 109 6.631 -2.020 1.263 56 GLN ATOM 2057 CA LYS 110 7.872 -5.498 2.199 57 PHE ATOM 2058 CA GLY 111 11.381 -4.351 2.885 58 GLY ATOM 2059 CA LYS 112 12.746 -5.654 -0.357 59 GLY ATOM 2060 CA PHE 113 15.716 -3.705 -1.765 60 PHE ATOM 2061 CA VAL 114 14.941 -1.712 -4.882 61 LEU ATOM 2062 CA LYS 115 17.786 0.705 -5.634 62 LYS TER 49 190.210 3 3elgA1 ATOM 3001 CA GLN 1 -3.156 21.293 17.109 11 LYS ATOM 3002 CA LEU 2 -1.326 18.039 16.243 12 LEU ATOM 3003 CA PRO 3 -3.236 14.734 16.082 13 PRO ATOM 3004 CA LEU 4 -3.031 12.880 19.319 14 VAL ATOM 3005 CA PRO 5 -1.072 10.084 17.675 15 ALA ATOM 3006 CA ALA 6 1.665 12.545 16.580 16 ALA ATOM 3007 CA ARG 7 1.862 14.060 20.060 17 ARG ATOM 3008 CA ASN 8 2.210 10.590 21.565 18 GLU ATOM 3009 CA ILE 10 6.929 12.703 19.853 19 ILE ATOM 3010 CA ASN 11 6.521 12.191 23.583 20 GLY ATOM 3011 CA ARG 12 7.558 8.541 23.418 21 LYS ATOM 3012 CA HIS 13 10.412 8.655 20.970 22 HIS ATOM 3013 CA PHE 14 11.799 12.227 21.196 23 PHE ATOM 3014 CA THR 15 11.479 12.986 24.890 24 SER ATOM 3015 CA LYS 16 14.947 14.552 24.791 25 GLN ATOM 3016 CA PRO 17 13.419 17.535 23.031 26 THR ATOM 3017 CA GLU 18 10.100 19.251 22.345 27 LYS ATOM 3018 CA VAL 19 8.097 20.888 19.585 28 VAL ATOM 3019 CA SER 20 9.422 24.204 18.218 29 ALA ATOM 3020 CA HIS 21 6.742 24.689 15.581 30 TYR ATOM 3021 CA ILE 22 4.204 22.829 13.442 31 ILE ATOM 3022 CA LYS 23 3.330 23.617 9.809 32 LYS ATOM 3023 CA ILE 24 -0.162 22.462 8.956 33 ILE ATOM 3024 CA ASP 25 -0.239 21.976 5.207 34 GLU ATOM 3025 CA LYS 26 -2.649 20.843 2.523 35 LYS ATOM 3026 CA GLU 27 -1.397 18.888 -0.448 36 ASP ATOM 3027 CA LEU 28 -2.642 18.671 -4.046 37 LEU ATOM 3028 CA GLU 29 -6.314 18.886 -0.237 39 GLN ATOM 3029 CA ALA 30 -5.163 16.422 2.465 40 THR ATOM 3030 CA THR 31 -3.677 17.727 5.688 41 THR ATOM 3031 CA LYS 32 -0.168 16.934 6.854 42 SER ATOM 3032 CA TYR 33 1.914 18.186 9.694 43 TYR ATOM 3033 CA GLU 34 5.532 19.167 9.374 44 ASP ATOM 3034 CA VAL 35 7.042 19.466 12.807 45 VAL ATOM 3035 CA LEU 36 10.318 21.038 13.822 46 LYS ATOM 3036 CA LEU 37 11.710 19.976 17.168 47 LEU ATOM 3037 CA THR 38 13.755 22.447 19.228 48 ALA ATOM 3038 CA ASP 39 16.901 20.382 18.649 49 ASP ATOM 3039 CA GLY 40 16.480 20.614 14.882 50 GLY ATOM 3040 CA THR 41 14.909 17.218 14.225 51 ILE ATOM 3041 CA GLU 42 12.112 17.338 11.604 52 GLU ATOM 3042 CA ILE 43 9.131 15.000 11.523 53 LEU ATOM 3043 CA GLU 44 6.265 14.795 9.121 54 GLU ATOM 3044 CA PHE 45 2.923 13.205 9.881 55 PHE ATOM 3045 CA ASP 46 -0.221 12.407 7.917 56 ASN ATOM 3046 CA SER 47 -3.703 13.592 8.652 57 SER ATOM 3047 CA LYS 48 -4.096 10.869 11.267 58 LYS ATOM 3048 CA GLY 49 -0.820 11.568 13.024 59 GLY ATOM 3049 CA ASN 50 1.024 8.587 11.490 60 GLU TER