3 110 (N_temp, Lch) 107 66.000 1 2kj8A ATOM 1001 CA SER 1 -0.175 -4.845 15.602 4 ASN ATOM 1002 CA ASP 2 -2.197 -2.376 13.530 5 ASN ATOM 1003 CA GLU 3 1.004 -1.191 11.844 6 SER ATOM 1004 CA VAL 4 0.924 -1.348 8.049 7 PHE ATOM 1005 CA ARG 5 4.057 -3.515 7.713 8 SER ATOM 1006 CA LYS 6 2.574 -6.081 10.113 9 ALA ATOM 1007 CA ASN 7 -0.687 -6.421 8.201 10 ILE ATOM 1008 CA LEU 8 1.180 -6.206 4.905 11 TYR ATOM 1009 CA MET 9 3.315 -9.191 5.893 12 LYS ATOM 1010 CA ASP 10 0.228 -11.272 6.717 13 GLU ATOM 1011 CA MET 11 -1.363 -10.319 3.412 14 TRP ATOM 1012 CA PHE 12 1.967 -10.763 1.601 15 TYR ATOM 1013 CA ARG 13 2.633 -14.270 2.914 16 GLU ATOM 1014 CA ASP 14 -0.971 -15.115 2.099 17 HIS ATOM 1015 CA ARG 15 -0.625 -13.840 -1.477 18 LYS ATOM 1016 CA GLN 16 0.830 -18.783 -2.185 20 GLN ATOM 1017 CA ALA 17 -0.826 -17.194 -5.211 21 VAL ATOM 1018 CA PHE 18 1.978 -15.316 -6.946 22 TRP ATOM 1019 CA SER 19 5.334 -16.678 -8.025 23 SER ATOM 1020 CA GLU 20 7.913 -16.714 -5.221 24 VAL ATOM 1021 CA HIS 21 10.368 -14.528 -7.150 25 GLY ATOM 1022 CA THR 22 7.621 -12.101 -8.071 26 TYR ATOM 1023 CA TRP 23 6.261 -12.008 -4.522 27 ALA ATOM 1024 CA LYS 24 9.678 -11.360 -2.974 28 THR ATOM 1025 CA MET 25 10.516 -8.437 -5.256 29 GLU ATOM 1026 CA LEU 26 6.919 -7.195 -5.147 30 LEU ATOM 1027 CA LEU 27 7.333 -6.794 -1.412 31 ALA ATOM 1028 CA SER 28 10.860 -5.457 -1.938 32 LYS ATOM 1029 CA VAL 29 9.701 -2.555 -4.142 33 MET ATOM 1030 CA CYS 30 6.751 -1.945 -1.825 34 PHE ATOM 1031 CA ARG 31 9.063 -1.895 1.208 35 ASP ATOM 1032 CA SER 32 11.590 0.265 -0.630 36 ASP ATOM 1033 CA TRP 33 6.213 2.589 0.965 38 ILE ATOM 1034 CA ALA 34 8.188 1.932 4.171 39 LEU ATOM 1035 CA ALA 35 9.964 5.370 4.193 40 PRO ATOM 1036 CA TRP 36 6.501 6.893 3.779 41 ILE ATOM 1037 CA CYS 37 3.910 4.924 5.789 42 ILE ATOM 1038 CA LYS 38 5.467 1.533 6.520 43 GLY ATOM 1039 CA LEU 39 5.921 1.920 10.245 44 GLY ATOM 1040 CA ARG 42 2.634 3.761 10.620 45 LEU ATOM 1041 CA LYS 43 -0.656 2.278 11.762 46 GLU ATOM 1042 CA TRP 44 -2.984 1.337 8.918 47 ILE ATOM 1043 CA PHE 45 -5.778 3.217 10.689 48 GLN ATOM 1044 CA PRO 46 -3.522 6.168 11.486 49 ASP ATOM 1045 CA ALA 47 -2.194 6.850 7.989 50 ILE ATOM 1046 CA GLU 48 -2.661 10.382 6.684 51 GLU ATOM 1047 CA PRO 49 -4.470 10.838 3.323 52 PRO ATOM 1048 CA GLU 50 -1.574 12.895 1.949 53 MET ATOM 1049 CA ASP 51 0.909 10.233 3.072 54 GLN ATOM 1050 CA VAL 52 -0.829 7.551 1.056 55 LEU ATOM 1051 CA ARG 53 -0.746 10.039 -1.813 56 LEU ATOM 1052 CA ASP 54 2.954 10.556 -1.059 57 GLU ATOM 1053 CA TYR 55 3.411 6.848 -1.781 58 VAL ATOM 1054 CA LEU 56 1.701 7.328 -5.138 59 ILE ATOM 1055 CA LEU 57 3.786 10.508 -5.523 60 ARG ATOM 1056 CA TYR 58 6.899 8.412 -4.959 61 ARG ATOM 1057 CA LEU 59 6.110 6.137 -7.909 62 PHE ATOM 1058 CA GLN 60 4.407 8.678 -10.199 63 GLU ATOM 1059 CA ARG 62 7.279 11.171 -10.067 64 ASP ATOM 1060 CA GLY 63 9.588 8.466 -11.415 65 ARG ATOM 1061 CA LEU 64 7.193 7.926 -14.304 66 GLY ATOM 1062 CA ALA 65 5.957 4.621 -12.959 67 ALA ATOM 1063 CA VAL 66 2.275 5.214 -13.651 68 MET ATOM 1064 CA LYS 67 1.271 1.558 -13.495 69 GLU ATOM 1065 CA THR 68 3.303 1.065 -10.329 70 ARG ATOM 1066 CA ILE 69 1.847 4.204 -8.730 71 ALA ATOM 1067 CA GLN 70 -1.638 2.867 -9.391 72 ASN ATOM 1068 CA GLN 71 -0.442 -0.572 -8.310 73 LYS ATOM 1069 CA HIS 72 0.671 0.966 -5.024 74 ALA ATOM 1070 CA LEU 73 -2.797 2.449 -4.508 75 ARG ATOM 1071 CA GLY 74 -4.245 -0.932 -5.527 76 ARG ATOM 1072 CA GLN 75 -2.245 -3.020 -3.078 77 ARG ATOM 1073 CA LEU 76 -2.528 -0.437 -0.311 78 CYS ATOM 1074 CA ASN 77 -6.310 -0.484 -0.654 79 GLY ATOM 1075 CA MET 78 -6.052 -4.261 -0.845 80 GLU ATOM 1076 CA LEU 79 -4.223 -4.260 2.510 81 VAL ATOM 1077 CA HIS 80 -6.749 -1.751 3.882 82 PHE ATOM 1078 CA ARG 81 -9.452 -4.209 2.838 83 ARG ATOM 1079 CA ARG 82 -7.579 -7.026 4.571 84 TYR ATOM 1080 CA SER 83 -7.384 -4.956 7.763 85 ALA ATOM 1081 CA GLY 84 -11.146 -4.399 7.663 86 ILE ATOM 1082 CA LEU 85 -11.722 -8.138 7.257 87 VAL ATOM 1083 CA PRO 86 -9.425 -9.054 10.145 88 THR ATOM 1084 CA ARG 87 -11.140 -6.389 12.246 89 GLY ATOM 1085 CA PRO 88 -8.248 -3.971 12.683 90 ARG ATOM 1086 CA SER 89 -9.685 -1.000 10.825 91 ALA ATOM 1087 CA ASP 90 -13.314 0.036 10.463 92 LYS ATOM 1088 CA SER 91 -12.567 2.939 8.146 93 TYR ATOM 1089 CA ASN 92 -9.787 3.196 5.587 94 ASN ATOM 1090 CA ALA 93 -8.549 6.485 4.029 95 PRO ATOM 1091 CA VAL 94 -8.832 4.933 0.557 96 ALA ATOM 1092 CA SER 95 -11.460 7.549 -0.564 97 PRO ATOM 1093 CA LEU 96 -9.259 10.210 1.050 98 ASP ATOM 1094 CA VAL 97 -6.436 9.074 -1.221 99 LEU ATOM 1095 CA MET 98 -8.588 10.004 -4.209 100 ALA ATOM 1096 CA ARG 99 -9.528 13.334 -2.645 101 ASP ATOM 1097 CA ARG 100 -5.895 14.130 -1.851 102 ALA ATOM 1098 CA ILE 101 -4.773 13.201 -5.368 103 MET ATOM 1099 CA ARG 102 -7.564 15.384 -6.753 104 LYS ATOM 1100 CA LYS 103 -6.885 18.290 -4.423 105 GLY ATOM 1101 CA GLU 104 -3.147 18.075 -5.057 106 TYR ATOM 1102 CA ASN 105 -3.767 20.041 -8.267 107 ARG ATOM 1103 CA VAL 106 -4.221 23.055 -5.994 108 LYS ATOM 1104 CA ASP 107 -0.525 22.834 -5.152 109 LYS ATOM 1105 CA ALA 108 0.721 21.873 -8.600 110 ASN ATOM 1106 CA GLY 109 -0.944 24.763 -10.383 111 LEU ATOM 1107 CA GLU 110 -1.905 24.993 -14.035 112 GLU TER 89 97.290 2 4a8eA1 ATOM 2001 CA SER 1 35.601 65.449 50.255 1 ARG ATOM 2002 CA ASP 2 33.312 64.785 53.256 2 ASP ATOM 2003 CA GLU 3 29.920 66.033 52.042 3 ASP ATOM 2004 CA VAL 4 29.885 62.726 50.140 4 THR ATOM 2005 CA ARG 5 29.572 60.804 53.441 5 ILE ATOM 2006 CA LYS 6 26.664 62.977 54.574 6 GLU ATOM 2007 CA ASN 7 25.024 61.981 51.281 7 GLU ATOM 2008 CA LEU 8 26.001 58.319 51.659 8 PHE ATOM 2009 CA MET 9 24.110 58.282 54.968 9 ALA ATOM 2010 CA ASP 10 20.789 59.582 53.592 10 THR ATOM 2011 CA MET 11 21.414 57.109 50.722 11 TYR ATOM 2012 CA PHE 12 21.198 54.347 53.328 12 LEU ATOM 2013 CA ARG 13 18.269 55.956 55.170 13 GLU ATOM 2014 CA ASP 14 16.349 55.750 51.884 14 LEU ATOM 2015 CA GLN 16 17.455 52.195 51.201 15 GLU ATOM 2016 CA ALA 17 15.660 51.415 54.505 16 GLY ATOM 2017 CA PHE 18 18.776 51.184 56.766 17 LYS ATOM 2018 CA SER 19 18.400 51.584 60.521 18 SER ATOM 2019 CA GLU 20 19.545 55.004 61.843 19 ARG ATOM 2020 CA HIS 21 21.938 53.181 64.188 20 ASN ATOM 2021 CA THR 22 23.432 51.054 61.427 21 THR ATOM 2022 CA TRP 23 23.836 54.233 59.405 22 VAL ATOM 2023 CA LYS 24 25.483 55.730 62.494 23 ARG ATOM 2024 CA MET 25 27.866 52.783 62.592 24 MET ATOM 2025 CA LEU 26 28.678 52.531 58.861 25 TYR ATOM 2026 CA LEU 27 29.307 56.236 58.635 26 THR ATOM 2027 CA SER 28 31.445 55.911 61.716 27 TYR ATOM 2028 CA VAL 29 33.797 53.265 60.259 28 TYR ATOM 2029 CA CYS 30 33.851 54.783 56.743 29 ILE ATOM 2030 CA ARG 31 35.046 58.094 58.153 30 SER ATOM 2031 CA SER 32 37.676 56.308 60.199 31 LYS ATOM 2032 CA TRP 33 38.805 54.368 57.118 32 PHE ATOM 2033 CA ALA 34 39.544 57.491 55.135 33 PHE ATOM 2034 CA ALA 35 40.997 59.182 58.247 34 GLU ATOM 2035 CA TRP 36 43.824 56.577 58.314 35 GLU ATOM 2036 CA CYS 37 44.528 57.459 54.695 36 GLY ATOM 2037 CA LYS 38 43.342 54.137 53.160 37 HIS ATOM 2038 CA LEU 39 42.379 54.309 49.449 38 SER ATOM 2039 CA ASN 40 38.969 53.126 48.150 39 PRO ATOM 2040 CA ASN 41 39.994 49.566 47.167 40 THR ATOM 2041 CA ARG 42 39.396 45.999 48.319 41 ALA ATOM 2042 CA GLU 50 43.009 45.738 49.471 42 ARG ATOM 2043 CA ASP 51 43.080 48.694 51.812 43 ASP ATOM 2044 CA VAL 52 39.708 47.488 53.129 44 ALA ATOM 2045 CA ARG 53 41.382 44.241 54.295 45 LEU ATOM 2046 CA ASP 54 44.553 46.044 55.504 46 ARG ATOM 2047 CA TYR 55 42.115 48.195 57.562 47 PHE ATOM 2048 CA LEU 56 39.957 45.250 58.743 48 LEU ATOM 2049 CA LEU 57 42.682 42.951 60.116 49 ALA ATOM 2050 CA TYR 58 44.179 45.958 62.016 50 LYS ATOM 2051 CA LEU 59 40.843 46.200 63.791 51 LEU ATOM 2052 CA GLN 60 40.863 42.403 64.335 52 LYS ATOM 2053 CA ALA 61 44.289 42.573 66.018 53 ARG ATOM 2054 CA ARG 62 42.968 45.580 68.034 54 LYS ATOM 2055 CA GLY 63 40.161 43.227 69.222 55 GLY ATOM 2056 CA LEU 64 36.852 43.580 67.318 56 TYR ATOM 2057 CA ALA 65 33.991 41.061 67.330 57 SER ATOM 2058 CA VAL 66 33.042 38.881 64.342 58 THR ATOM 2059 CA LYS 67 29.653 40.578 64.088 59 ARG ATOM 2060 CA THR 68 31.650 43.783 64.504 60 SER ATOM 2061 CA ILE 69 33.990 42.907 61.619 61 LEU ATOM 2062 CA GLN 70 31.121 41.650 59.473 62 ASN ATOM 2063 CA GLN 71 29.531 45.034 59.952 63 LEU ATOM 2064 CA HIS 72 32.637 46.991 58.961 64 VAL ATOM 2065 CA LEU 73 33.036 44.771 55.870 65 ILE ATOM 2066 CA GLY 74 29.465 45.406 54.787 66 GLN ATOM 2067 CA GLN 75 29.814 49.135 55.526 67 ALA ATOM 2068 CA LEU 76 32.732 49.378 53.101 68 LEU ATOM 2069 CA ASN 77 30.986 47.216 50.562 69 LYS ATOM 2070 CA MET 78 27.875 49.474 50.635 70 ALA ATOM 2071 CA LEU 79 30.124 52.502 50.217 71 TYR ATOM 2072 CA HIS 80 31.952 51.109 47.245 72 PHE ATOM 2073 CA ARG 81 28.615 50.459 45.505 73 LYS ATOM 2074 CA ARG 82 27.942 54.147 46.162 74 PHE ATOM 2075 CA SER 83 31.294 55.341 44.811 75 GLU ATOM 2076 CA GLY 84 30.326 53.031 41.926 76 GLY ATOM 2077 CA LEU 85 33.498 50.975 42.381 77 LEU ATOM 2078 CA PRO 86 31.582 47.646 41.946 78 ASP ATOM 2079 CA ARG 87 34.868 45.965 40.936 79 SER ATOM 2080 CA PRO 88 36.395 46.353 44.420 80 GLU ATOM 2081 CA MET 98 32.931 45.802 45.940 81 ALA ATOM 2082 CA ARG 99 32.397 42.065 45.303 82 GLU ATOM 2083 CA ARG 100 36.081 41.258 45.960 83 LYS ATOM 2084 CA ILE 101 35.088 41.864 49.585 84 LEU ATOM 2085 CA ARG 102 33.248 38.733 50.503 85 LYS ATOM 2086 CA LYS 103 33.742 37.391 54.014 86 THR ATOM 2087 CA GLU 104 35.634 34.146 53.238 87 PRO ATOM 2088 CA ASN 105 33.492 31.079 53.983 88 LYS ATOM 2089 CA VAL 106 34.266 28.790 56.962 89 MET TER 97 63.840 3 3sqiA ATOM 3001 CA ASP 10 21.641 21.667 -45.830 3 LYS ATOM 3002 CA MET 11 19.581 18.523 -45.256 4 LEU ATOM 3003 CA PHE 12 16.753 19.312 -47.678 5 ASP ATOM 3004 CA ARG 13 18.883 18.855 -50.796 6 SER ATOM 3005 CA ASP 14 19.781 15.245 -49.939 7 LEU ATOM 3006 CA ARG 15 16.185 14.120 -50.478 8 LEU ATOM 3007 CA GLN 16 16.171 15.370 -54.051 9 LYS ATOM 3008 CA ALA 17 18.455 12.384 -54.538 10 GLU ATOM 3009 CA PHE 18 15.679 9.947 -53.596 11 LEU ATOM 3010 CA SER 19 12.622 8.578 -55.416 12 PRO ATOM 3011 CA GLU 20 9.935 11.199 -54.830 13 THR ATOM 3012 CA HIS 21 7.634 8.870 -52.896 14 ARG ATOM 3013 CA THR 22 10.224 7.548 -50.416 15 THR ATOM 3014 CA TRP 23 11.568 11.079 -50.010 16 ALA ATOM 3015 CA LYS 24 8.066 12.221 -49.058 17 HIS ATOM 3016 CA MET 25 7.330 9.331 -46.735 18 LEU ATOM 3017 CA LEU 26 10.578 10.291 -44.958 19 TYR ATOM 3018 CA LEU 27 9.692 13.987 -44.874 20 ARG ATOM 3019 CA SER 28 6.527 13.075 -42.990 21 SER ATOM 3020 CA VAL 29 8.144 10.554 -40.639 22 ILE ATOM 3021 CA CYS 30 10.540 13.367 -39.756 23 TRP ATOM 3022 CA ARG 31 7.866 15.969 -39.116 24 HIS ATOM 3023 CA SER 32 6.148 13.440 -36.834 25 LYS ATOM 3024 CA TRP 33 9.300 12.626 -34.903 26 TYR ATOM 3025 CA ALA 34 10.531 16.156 -34.273 27 THR ATOM 3026 CA ALA 35 7.021 17.479 -33.612 28 GLU ATOM 3027 CA TRP 36 6.928 14.783 -30.939 29 TRP ATOM 3028 CA CYS 37 10.470 15.606 -29.805 30 LEU ATOM 3029 CA LYS 38 9.181 19.104 -28.985 31 LYS ATOM 3030 CA LEU 39 7.638 17.220 -26.053 32 THR ATOM 3031 CA ASN 40 10.954 16.542 -24.280 33 MET ATOM 3032 CA ASN 41 13.485 18.889 -22.613 34 PRO ATOM 3033 CA ARG 42 15.988 18.421 -25.448 35 ASP ATOM 3034 CA LYS 43 21.810 20.471 -31.897 36 ASP ATOM 3035 CA TRP 44 23.021 14.172 -34.398 38 LYS ATOM 3036 CA PHE 45 22.201 14.104 -30.711 39 LEU ATOM 3037 CA PRO 46 18.561 14.311 -31.822 40 PHE ATOM 3038 CA ALA 47 18.990 10.784 -33.043 41 LEU ATOM 3039 CA GLU 48 19.817 8.427 -30.229 42 SER ATOM 3040 CA PRO 49 18.530 4.908 -29.728 43 GLN ATOM 3041 CA GLU 50 16.808 6.181 -26.592 44 LYS ATOM 3042 CA ASP 51 14.517 8.684 -28.316 45 TYR ATOM 3043 CA VAL 52 13.788 6.643 -31.459 46 ILE ATOM 3044 CA ARG 53 12.901 3.576 -29.408 47 VAL ATOM 3045 CA ASP 54 10.751 5.573 -27.006 48 LYS ATOM 3046 CA TYR 55 8.965 7.146 -29.989 49 TYR ATOM 3047 CA LEU 56 8.333 3.854 -31.727 50 ILE ATOM 3048 CA LEU 57 7.069 1.874 -28.736 51 ALA ATOM 3049 CA TYR 58 5.014 4.741 -27.274 52 SER ATOM 3050 CA LEU 59 2.938 5.062 -30.453 53 HIS ATOM 3051 CA GLN 60 0.573 2.233 -31.363 54 ASP ATOM 3052 CA LEU 64 0.216 3.636 -34.876 55 ASP ATOM 3053 CA ALA 65 3.981 3.325 -35.297 56 ILE ATOM 3054 CA VAL 66 4.446 0.280 -33.057 57 ALA ATOM 3055 CA LYS 67 2.244 -1.874 -35.306 58 LYS ATOM 3056 CA THR 68 4.268 -0.901 -38.405 59 ASP ATOM 3057 CA ILE 69 7.785 0.176 -37.260 60 PRO ATOM 3058 CA GLN 70 9.698 -0.712 -40.421 61 LEU ATOM 3059 CA GLN 71 9.310 2.346 -42.673 62 PRO ATOM 3060 CA HIS 72 10.201 4.389 -39.607 63 THR ATOM 3061 CA LEU 73 13.359 2.388 -38.904 64 CYS ATOM 3062 CA GLY 74 14.516 2.645 -42.505 65 ASP ATOM 3063 CA GLN 75 13.833 6.376 -42.381 66 ALA ATOM 3064 CA LEU 76 15.973 6.708 -39.229 67 MET ATOM 3065 CA ASN 77 18.897 4.637 -40.503 68 ILE ATOM 3066 CA MET 78 18.766 6.852 -43.562 69 TRP ATOM 3067 CA LEU 79 18.673 10.223 -41.784 70 PHE ATOM 3068 CA HIS 80 21.466 8.917 -39.552 71 SER ATOM 3069 CA ARG 81 23.931 7.687 -42.163 72 ARG ATOM 3070 CA ARG 82 22.591 10.527 -44.316 73 ALA ATOM 3071 CA SER 83 24.085 12.762 -41.664 74 LEU ATOM 3072 CA GLY 84 27.614 12.403 -40.376 75 ASP ATOM 3073 CA LEU 85 27.511 9.322 -38.158 76 ILE ATOM 3074 CA PRO 86 30.005 6.449 -37.864 77 GLU ATOM 3075 CA ARG 87 29.380 3.429 -40.101 78 ASN ATOM 3076 CA PRO 88 29.847 0.788 -37.410 79 ASN ATOM 3077 CA SER 89 27.741 3.091 -35.236 80 ASP ATOM 3078 CA ASP 90 24.801 3.473 -37.608 81 VAL ATOM 3079 CA ASN 92 24.850 -0.282 -38.114 82 LEU ATOM 3080 CA ALA 93 24.679 -0.890 -34.351 83 VAL ATOM 3081 CA VAL 94 21.626 1.365 -34.414 84 LEU ATOM 3082 CA SER 95 20.149 -0.803 -37.154 85 GLN ATOM 3083 CA LEU 96 20.874 -3.785 -34.935 86 GLN ATOM 3084 CA VAL 97 18.961 -2.295 -32.027 87 ARG ATOM 3085 CA MET 98 15.986 -1.297 -34.164 88 LEU ATOM 3086 CA ARG 99 15.564 -4.677 -35.856 89 TYR ATOM 3087 CA ARG 100 15.820 -6.207 -32.383 90 GLY ATOM 3088 CA ILE 101 13.035 -3.920 -31.215 91 LEU ATOM 3089 CA ARG 102 10.767 -4.991 -34.067 92 VAL ATOM 3090 CA LYS 103 11.417 -8.682 -33.432 93 LYS ATOM 3091 CA GLU 104 10.462 -7.913 -29.847 94 LEU ATOM 3092 CA ASN 105 7.212 -6.070 -30.645 95 LEU ATOM 3093 CA VAL 106 5.975 -8.509 -33.285 96 GLU ATOM 3094 CA ASP 107 6.777 -11.751 -31.441 97 PHE ATOM 3095 CA ALA 108 3.956 -13.962 -30.182 98 ASP ATOM 3096 CA GLY 109 4.990 -15.937 -27.114 99 TYR ATOM 3097 CA GLU 110 1.567 -17.612 -27.222 100 SER TER