3 120 (N_temp, Lch) 104 29.500 1 4kkpA2 ATOM 1001 CA ASP 1 79.838 59.664 26.585 1 LEU ATOM 1002 CA VAL 2 79.047 58.726 30.209 2 PRO ATOM 1003 CA SER 3 75.502 59.721 30.874 3 GLU ATOM 1004 CA LEU 4 72.759 60.289 33.447 4 LEU ATOM 1005 CA PRO 5 69.555 59.701 31.506 5 ASN ATOM 1006 CA CYS 6 69.688 62.447 28.925 6 GLY ATOM 1007 CA ILE 7 72.527 64.354 30.587 7 LEU ATOM 1008 CA LYS 8 75.878 63.714 28.923 8 THR ATOM 1009 CA ILE 9 79.133 64.206 30.792 9 ILE ATOM 1010 CA GLN 10 82.178 65.142 28.726 10 ASP ATOM 1011 CA VAL 11 85.201 65.667 30.958 11 ILE ATOM 1012 CA GLN 12 88.656 65.514 29.417 12 LYS ATOM 1013 CA THR 13 92.310 66.254 29.971 13 ASN ATOM 1014 CA ARG 14 92.273 69.209 27.559 14 GLN ATOM 1015 CA TYR 15 95.720 68.777 25.961 15 PHE ATOM 1016 CA ILE 16 96.510 65.160 26.899 16 GLY ATOM 1017 CA GLU 17 99.091 66.096 29.512 17 ILE ATOM 1018 CA GLU 18 99.868 62.895 31.453 18 ASN ATOM 1019 CA GLN 19 102.730 64.128 33.563 19 SER ATOM 1020 CA ASN 21 104.358 67.218 34.975 20 VAL ATOM 1021 CA PRO 22 107.842 68.033 36.195 21 GLU ATOM 1022 CA GLU 23 108.827 67.781 39.849 22 SER ATOM 1023 CA TYR 24 109.291 71.570 39.824 23 THR ATOM 1024 CA GLN 25 105.628 71.819 38.962 24 GLY ATOM 1025 CA ARG 26 103.082 72.159 36.192 25 GLY ATOM 1026 CA VAL 28 99.511 73.105 35.397 26 PHE ATOM 1027 CA PHE 29 96.929 70.835 33.739 27 VAL ATOM 1028 CA ALA 30 93.614 72.112 32.373 28 PRO ATOM 1029 CA TYR 31 90.446 69.999 32.056 29 PHE ATOM 1030 CA LEU 32 87.403 70.664 29.917 30 THR ATOM 1031 CA ILE 33 83.966 70.081 31.398 31 VAL ATOM 1032 CA THR 34 80.731 69.870 29.386 32 ASP ATOM 1033 CA ILE 35 77.459 68.723 30.930 33 LEU ATOM 1034 CA LYS 36 74.918 68.633 28.094 34 ASN ATOM 1035 CA ASN 37 71.265 68.264 28.975 35 ASN ATOM 1036 CA LEU 38 69.633 66.299 26.141 36 GLY ATOM 1037 CA SER 39 66.464 65.715 28.160 37 ARG ATOM 1038 CA SER 40 62.998 67.159 27.554 38 GLU ATOM 1039 CA GLN 41 63.061 68.545 31.095 39 GLY ATOM 1040 CA THR 42 65.515 70.420 33.286 40 GLU ATOM 1041 CA VAL 43 68.416 68.663 35.016 41 ALA ATOM 1042 CA GLN 44 69.354 69.411 38.612 42 ASN ATOM 1043 CA LEU 45 72.998 68.470 38.955 43 VAL ATOM 1044 CA ARG 47 75.896 68.574 41.393 44 GLU ATOM 1045 CA ARG 48 79.490 68.514 40.218 45 PHE ATOM 1046 CA TRP 49 82.928 68.359 41.883 46 TRP ATOM 1047 CA LEU 50 89.427 66.064 43.454 47 THR ATOM 1048 CA ILE 51 92.978 64.838 42.904 48 ALA ATOM 1049 CA THR 52 93.668 61.562 44.701 49 VAL ATOM 1050 CA ASP 53 97.404 61.164 45.121 50 GLY ATOM 1051 CA ALA 54 100.463 59.923 47.060 51 PRO ATOM 1052 CA ASP 55 100.596 60.021 50.878 52 ASP ATOM 1053 CA GLY 56 96.842 59.762 51.233 53 GLY ATOM 1054 CA LYS 57 96.300 63.186 49.640 54 LEU ATOM 1055 CA GLN 58 92.886 64.204 48.298 55 ILE ATOM 1056 CA THR 59 93.461 67.623 46.759 56 ILE ATOM 1057 CA VAL 60 90.409 69.694 45.808 57 PRO ATOM 1058 CA VAL 61 90.367 70.469 42.093 58 VAL ATOM 1059 CA GLU 62 86.784 71.712 41.815 59 ASN ATOM 1060 CA GLY 63 84.621 72.712 44.782 60 ALA ATOM 1061 CA ASP 64 81.020 71.447 44.860 61 ARG ATOM 1062 CA GLU 69 78.862 73.293 42.332 62 GLU ATOM 1063 CA GLN 70 75.115 72.959 41.787 63 LYS ATOM 1064 CA PRO 71 73.384 73.827 38.499 64 TRP ATOM 1065 CA ARG 72 69.808 73.764 37.286 65 VAL ATOM 1066 CA ILE 73 70.304 73.164 33.566 66 ILE ATOM 1067 CA LYS 74 67.426 73.810 31.143 67 ALA ATOM 1068 CA ALA 75 66.445 71.353 28.425 68 SER ATOM 1069 CA ASN 76 68.961 71.614 25.577 69 GLY ATOM 1070 CA ASP 77 71.369 73.773 27.606 70 ASP ATOM 1071 CA GLU 78 74.954 73.056 28.568 71 THR ATOM 1072 CA TYR 79 77.185 73.686 31.538 72 TYR ATOM 1073 CA THR 80 80.545 74.409 29.967 73 SER ATOM 1074 CA TYR 81 83.790 75.391 31.628 74 LYS ATOM 1075 CA SER 82 87.564 74.804 31.704 75 VAL ATOM 1076 CA SER 83 89.123 73.959 35.055 76 ARG ATOM 1077 CA GLY 84 92.799 73.555 35.821 77 GLY ATOM 1078 CA THR 85 94.896 72.222 38.631 78 ILE ATOM 1079 CA ALA 86 98.275 73.674 39.517 79 ASN ATOM 1080 CA LEU 87 100.622 70.946 40.731 80 PHE ATOM 1081 CA ASP 88 102.732 72.964 43.109 81 ASP ATOM 1082 CA THR 89 106.405 72.039 43.394 82 LYS ATOM 1083 CA GLY 92 105.732 70.995 46.993 83 SER ATOM 1084 CA VAL 93 103.245 68.233 46.084 84 TYR ATOM 1085 CA GLN 94 105.943 62.767 43.351 86 ALA ATOM 1086 CA GLY 95 103.768 59.942 42.062 87 GLY ATOM 1087 CA GLN 96 100.402 59.203 40.573 88 GLU ATOM 1088 CA TYR 97 97.336 61.451 40.837 89 TYR ATOM 1089 CA LEU 98 93.871 60.290 39.843 90 THR ATOM 1090 CA ILE 99 91.949 63.375 38.806 91 ILE ATOM 1091 CA ASP 100 71.538 64.021 39.377 97 ASP ATOM 1092 CA GLU 101 66.585 64.257 41.778 99 VAL ATOM 1093 CA GLN 102 67.313 60.649 40.746 100 SER ATOM 1094 CA GLY 103 70.225 60.305 43.162 101 GLY ATOM 1095 CA GLU 104 72.371 58.758 40.406 102 GLU ATOM 1096 CA SER 105 76.111 59.427 40.317 103 ARG ATOM 1097 CA PHE 106 78.670 59.271 37.500 104 VAL ATOM 1098 CA THR 107 82.427 59.224 37.948 105 GLU ATOM 1099 CA VAL 108 85.202 60.046 35.484 106 GLN ATOM 1100 CA GLU 109 88.811 59.304 36.464 107 SER ATOM 1101 CA ILE 110 95.666 60.086 35.501 108 THR ATOM 1102 CA PRO 112 98.473 62.594 35.872 109 VAL ATOM 1103 CA PHE 113 101.921 61.633 37.152 110 VAL ATOM 1104 CA ARG 114 104.106 64.152 38.968 111 LYS TER 86 39.980 2 4oebA ATOM 2001 CA PHE 29 11.922 -34.320 -2.505 5 TRP ATOM 2002 CA TYR 31 12.522 -37.801 -3.797 6 VAL ATOM 2003 CA LEU 32 13.735 -41.029 -2.177 7 ILE ATOM 2004 CA ILE 33 15.275 -43.500 -4.658 8 ILE ATOM 2005 CA THR 34 15.572 -47.100 -3.529 9 ILE ATOM 2006 CA ILE 35 17.613 -49.360 -5.811 10 ILE ATOM 2007 CA LYS 36 16.960 -53.035 -5.042 11 HIS ATOM 2008 CA ASN 37 19.003 -55.672 -6.857 12 ASN ATOM 2009 CA LEU 38 16.432 -58.464 -7.339 13 VAL ATOM 2010 CA SER 39 18.637 -60.489 -9.719 14 GLY ATOM 2011 CA SER 40 21.666 -62.754 -9.180 15 SER ATOM 2012 CA GLN 41 24.330 -60.437 -10.687 16 LYS ATOM 2013 CA THR 42 25.896 -57.242 -9.348 17 ASP ATOM 2014 CA VAL 43 24.682 -53.829 -10.496 18 VAL ATOM 2015 CA GLN 44 26.610 -50.608 -9.954 19 LYS ATOM 2016 CA LEU 45 25.698 -46.963 -9.560 20 ILE ATOM 2017 CA SER 46 24.983 -36.056 -10.620 24 LYS ATOM 2018 CA ARG 47 22.477 -33.867 -8.674 25 PRO ATOM 2019 CA ARG 48 22.012 -30.643 -10.689 26 SER ATOM 2020 CA TRP 49 19.498 -28.927 -8.360 27 TRP ATOM 2021 CA LEU 50 19.160 -29.219 -4.572 28 GLY ATOM 2022 CA ILE 51 21.189 -31.638 -2.473 29 LYS ATOM 2023 CA THR 52 21.483 -35.264 -1.398 30 LEU ATOM 2024 CA ASP 53 20.835 -35.896 2.319 31 HIS ATOM 2025 CA ALA 54 21.073 -38.617 4.998 32 ALA ATOM 2026 CA ASP 55 18.187 -41.123 5.458 33 ASP ATOM 2027 CA GLY 56 15.297 -39.359 7.238 34 GLY ATOM 2028 CA LYS 57 17.402 -36.246 7.797 35 ASP ATOM 2029 CA GLN 58 17.148 -33.391 5.242 36 LYS ATOM 2030 CA THR 59 22.393 -33.502 6.914 38 THR ATOM 2031 CA VAL 60 23.827 -33.085 3.431 39 GLU ATOM 2032 CA VAL 61 25.542 -36.199 2.064 40 VAL ATOM 2033 CA GLU 62 27.848 -36.017 -1.015 41 SER ATOM 2034 CA GLY 63 27.250 -38.048 -4.244 42 ALA ATOM 2035 CA ASP 64 30.719 -39.643 -3.543 43 SER ATOM 2036 CA GLY 65 29.030 -41.596 -0.669 44 LYS ATOM 2037 CA VAL 66 27.244 -43.646 -3.364 45 TYR ATOM 2038 CA VAL 67 29.369 -43.069 -6.496 46 GLU ATOM 2039 CA GLY 68 30.584 -46.466 -7.768 47 GLY ATOM 2040 CA PRO 71 28.702 -48.558 -5.161 48 THR ATOM 2041 CA ARG 72 28.225 -52.152 -6.253 49 VAL ATOM 2042 CA ILE 73 24.749 -53.410 -5.275 50 ILE ATOM 2043 CA LYS 74 25.009 -57.131 -4.737 51 LYS ATOM 2044 CA ALA 75 22.070 -59.560 -5.192 52 PRO ATOM 2045 CA ASN 76 19.234 -58.870 -2.714 53 ASP ATOM 2046 CA ASP 77 20.827 -55.608 -1.445 54 GLU ATOM 2047 CA GLU 78 19.396 -52.120 -1.617 55 LYS ATOM 2048 CA TYR 79 20.879 -48.660 -1.979 56 LEU ATOM 2049 CA THR 80 18.877 -45.602 -0.929 57 GLN ATOM 2050 CA TYR 81 19.507 -42.059 -2.182 58 ILE ATOM 2051 CA SER 82 17.640 -39.101 -0.656 59 ASN ATOM 2052 CA SER 83 17.411 -35.869 -2.587 60 ALA ATOM 2053 CA GLY 84 15.651 -32.594 -1.803 61 CYS ATOM 2054 CA THR 85 15.624 -28.865 -2.570 62 GLY ATOM 2055 CA ALA 86 17.912 -26.639 -0.487 63 ARG ATOM 2056 CA LEU 87 16.418 -25.132 2.710 64 SER ATOM 2057 CA ASP 88 13.941 -22.246 2.046 65 ASP ATOM 2058 CA THR 89 15.113 -22.081 -1.606 66 ALA ATOM 2059 CA PRO 90 12.642 -21.377 -4.429 67 ALA ATOM 2060 CA VAL 91 14.257 -24.405 -6.224 68 GLU ATOM 2061 CA GLY 92 13.764 -28.172 -6.088 69 GLY ATOM 2062 CA VAL 93 15.743 -31.349 -6.678 70 THR ATOM 2063 CA GLN 94 16.960 -32.519 -10.081 71 THR ATOM 2064 CA GLY 95 19.610 -34.960 -11.098 72 GLY ATOM 2065 CA GLN 96 20.758 -37.975 -13.010 73 THR ATOM 2066 CA TYR 97 22.581 -41.209 -12.350 74 PHE ATOM 2067 CA LEU 98 23.392 -44.363 -14.222 75 ASP ATOM 2068 CA ILE 99 23.063 -47.982 -13.368 76 LEU ATOM 2069 CA ASP 100 27.100 -53.424 -15.377 78 ASP ATOM 2070 CA GLU 101 30.339 -53.997 -13.438 79 PRO ATOM 2071 CA GLN 102 30.864 -57.405 -15.189 80 ALA ATOM 2072 CA GLY 103 33.289 -52.866 -18.249 82 GLY ATOM 2073 CA THR 107 30.662 -50.606 -16.584 83 ASP ATOM 2074 CA VAL 108 28.381 -50.829 -19.673 84 LYS ATOM 2075 CA GLU 109 25.350 -48.619 -19.190 85 GLN ATOM 2076 CA ILE 110 22.340 -50.548 -17.903 86 VAL ATOM 2077 CA GLU 111 19.958 -47.534 -17.700 87 ARG ATOM 2078 CA PRO 112 20.179 -43.767 -17.356 88 HIS ATOM 2079 CA PHE 113 17.888 -42.027 -14.852 89 PHE ATOM 2080 CA ARG 114 16.706 -38.447 -14.676 90 TYR ATOM 2081 CA LEU 115 14.640 -36.990 -11.819 91 TRP ATOM 2082 CA ALA 116 13.093 -33.579 -11.335 92 ASP ATOM 2083 CA VAL 117 10.862 -32.415 -8.509 93 CYS ATOM 2084 CA PRO 118 10.755 -28.678 -9.278 94 PRO ATOM 2085 CA HIS 119 9.788 -25.793 -7.033 95 TRP ATOM 2086 CA VAL 120 6.638 -23.852 -8.072 96 GLY TER 98 40.120 3 3nrfA ATOM 3001 CA CYS 6 11.312 13.581 21.605 1 ASP ATOM 3002 CA ILE 7 14.972 13.292 22.705 2 ALA ATOM 3003 CA LYS 8 17.508 10.872 24.075 3 VAL ATOM 3004 CA ILE 9 21.474 11.297 29.136 4 VAL ATOM 3005 CA GLN 10 22.326 10.033 32.625 5 PHE ATOM 3006 CA VAL 11 25.792 10.610 33.998 6 ALA ATOM 3007 CA GLN 12 27.844 10.118 37.133 7 ARG ATOM 3008 CA THR 13 30.985 12.081 37.854 8 GLN ATOM 3009 CA ARG 14 34.101 9.858 37.793 9 GLY ATOM 3010 CA TYR 15 37.830 10.365 38.050 10 ASP ATOM 3011 CA ILE 16 39.863 13.511 37.537 11 LYS ATOM 3012 CA GLU 17 43.237 13.345 35.840 12 GLY ATOM 3013 CA GLU 18 45.973 15.005 33.822 13 SER ATOM 3014 CA GLN 19 48.472 14.448 31.053 14 VAL ATOM 3015 CA SER 20 51.749 16.288 30.808 15 SER ATOM 3016 CA ASN 21 54.484 16.165 28.175 16 VAL ATOM 3017 CA PRO 22 57.087 18.864 28.812 17 GLY ATOM 3018 CA GLU 23 55.135 22.146 28.786 18 ASP ATOM 3019 CA TYR 24 52.137 20.645 27.017 19 LYS ATOM 3020 CA GLN 25 49.313 19.409 29.116 20 HIS ATOM 3021 CA ARG 26 45.627 18.867 29.645 21 PHE ATOM 3022 CA PHE 27 43.200 17.880 32.356 22 ARG ATOM 3023 CA VAL 28 40.557 15.145 32.144 23 THR ATOM 3024 CA PHE 29 37.211 14.548 33.844 24 GLN ATOM 3025 CA ALA 30 35.567 11.162 33.339 25 ALA ATOM 3026 CA TYR 31 31.915 10.339 33.610 26 PHE ATOM 3027 CA LEU 32 30.000 7.092 33.399 27 LYS ATOM 3028 CA ILE 33 27.205 7.844 30.856 28 VAL ATOM 3029 CA THR 34 24.025 6.021 29.933 29 ARG ATOM 3030 CA ILE 35 21.946 7.104 26.941 30 LEU ATOM 3031 CA LYS 36 18.338 5.952 26.963 31 VAL ATOM 3032 CA ASN 37 15.776 6.234 24.147 32 ASN ATOM 3033 CA LEU 38 12.448 6.406 25.904 33 ALA ATOM 3034 CA SER 39 10.739 7.364 22.588 34 ALA ATOM 3035 CA SER 40 8.659 5.029 20.362 35 LYS ATOM 3036 CA GLN 41 11.059 5.247 17.349 36 SER ATOM 3037 CA THR 42 14.797 5.116 16.487 37 GLU ATOM 3038 CA VAL 43 16.630 8.456 17.116 38 ILE ATOM 3039 CA GLN 44 19.711 9.353 15.134 39 SER ATOM 3040 CA LEU 45 22.735 10.467 17.062 40 LEU ATOM 3041 CA SER 46 24.945 14.750 13.995 42 ASN ATOM 3042 CA ARG 47 24.891 15.035 17.782 43 SER ATOM 3043 CA ARG 48 27.825 14.964 20.183 44 CYS ATOM 3044 CA TRP 49 28.379 14.350 23.844 45 LEU ATOM 3045 CA LEU 50 29.550 17.421 25.741 46 VAL ATOM 3046 CA ILE 51 30.339 18.020 29.414 47 ALA ATOM 3047 CA THR 52 29.342 21.366 30.919 48 GLN ATOM 3048 CA ASP 53 29.969 23.391 34.044 49 SER ATOM 3049 CA ALA 54 27.079 25.134 35.795 50 ALA ATOM 3050 CA ASP 55 28.782 28.389 34.697 51 ALA ATOM 3051 CA GLY 56 28.032 27.411 31.073 52 GLY ATOM 3052 CA LYS 57 31.384 26.300 29.745 53 GLN ATOM 3053 CA GLN 58 31.378 23.230 27.514 54 SER ATOM 3054 CA THR 59 34.156 20.647 27.190 55 PHE ATOM 3055 CA VAL 60 35.113 18.380 24.340 56 ARG ATOM 3056 CA VAL 61 35.083 14.634 24.460 57 LEU ATOM 3057 CA GLU 62 38.723 13.354 24.307 58 ASP ATOM 3058 CA GLY 63 38.076 9.609 24.505 59 THR ATOM 3059 CA VAL 66 34.967 7.490 24.773 60 VAL ATOM 3060 CA GLN 70 33.864 3.880 25.081 61 ASP ATOM 3061 CA PRO 71 32.752 2.355 21.767 62 GLU ATOM 3062 CA ARG 72 29.270 1.630 23.116 63 GLU ATOM 3063 CA ILE 73 28.533 5.359 23.209 64 LEU ATOM 3064 CA LYS 74 29.488 5.838 19.554 65 THR ATOM 3065 CA ALA 75 26.247 4.280 18.229 66 ALA ATOM 3066 CA ASN 76 24.896 6.213 15.226 67 ASP ATOM 3067 CA ASP 77 21.297 5.545 16.359 68 THR ATOM 3068 CA ASP 88 19.405 4.263 19.393 69 LEU ATOM 3069 CA THR 89 16.488 1.846 18.983 70 LYS ATOM 3070 CA PRO 90 13.221 2.689 20.828 71 PRO ATOM 3071 CA VAL 91 13.498 1.544 24.494 72 GLY ATOM 3072 CA GLY 92 17.235 0.865 24.130 73 ALA ATOM 3073 CA VAL 93 20.139 2.068 26.190 74 SER ATOM 3074 CA GLN 94 26.410 2.832 28.583 76 GLU ATOM 3075 CA GLY 95 30.123 3.540 28.939 77 GLY ATOM 3076 CA GLN 96 32.772 5.910 30.185 78 ASP ATOM 3077 CA TYR 97 33.346 9.257 28.476 79 ALA ATOM 3078 CA LEU 98 36.336 11.437 29.185 80 ILE ATOM 3079 CA ILE 99 36.268 15.208 28.589 81 PHE ATOM 3080 CA ASP 100 40.500 21.122 28.916 83 SER ATOM 3081 CA GLU 101 44.007 22.556 28.686 84 GLU ATOM 3082 CA GLN 102 43.501 24.315 32.013 85 ASP ATOM 3083 CA GLY 103 41.707 22.775 35.059 86 ASP ATOM 3084 CA GLU 104 38.229 24.110 34.052 87 ALA ATOM 3085 CA SER 105 36.953 20.620 33.086 88 VAL ATOM 3086 CA PHE 106 37.089 19.633 36.778 89 TYR ATOM 3087 CA THR 107 34.074 21.957 37.103 90 GLY ATOM 3088 CA VAL 108 31.995 19.957 34.574 91 ALA ATOM 3089 CA GLU 109 28.919 18.603 36.340 92 SER ATOM 3090 CA ILE 110 26.565 17.723 33.460 93 LEU ATOM 3091 CA GLU 111 26.766 15.552 30.355 94 VAL ATOM 3092 CA PRO 112 24.402 16.440 27.502 95 ARG ATOM 3093 CA PHE 113 23.915 15.762 23.810 96 LEU ATOM 3094 CA ARG 114 24.534 18.909 21.633 97 SER ATOM 3095 CA LEU 115 23.618 19.389 17.988 98 ASP ATOM 3096 CA ALA 116 26.518 21.873 17.624 99 ARG ATOM 3097 CA VAL 117 29.418 19.601 16.805 100 CYS ATOM 3098 CA PRO 118 32.406 20.444 14.607 101 LYS TER