3 109 (N_temp, Lch) 84 110.530 1 4wk1A ATOM 1001 CA MET 1 -7.705 -31.788 -1.576 9 MET ATOM 1002 CA LYS 2 -4.213 -31.860 -0.129 10 LYS ATOM 1003 CA MET 3 -3.036 -33.115 3.258 11 MET ATOM 1004 CA VAL 4 -0.796 -30.717 5.142 12 ILE ATOM 1005 CA VAL 5 1.465 -32.278 7.781 13 ILE ATOM 1006 CA ALA 6 3.087 -29.580 9.863 14 ALA ATOM 1007 CA VAL 7 5.616 -30.219 12.620 15 ILE ATOM 1008 CA ILE 8 5.937 -27.187 14.924 16 VAL ATOM 1009 CA ARG 9 7.284 -26.303 18.385 17 GLN ATOM 1010 CA PRO 10 5.011 -26.979 21.368 18 ASP ATOM 1011 CA GLU 11 5.224 -23.359 22.456 19 GLN ATOM 1012 CA LYS 12 3.768 -22.243 19.124 20 ASP ATOM 1013 CA LEU 13 0.970 -24.855 18.795 21 SER ATOM 1014 CA GLU 14 -1.536 -22.706 20.675 22 GLN ATOM 1015 CA CYS 15 -1.003 -19.701 18.370 23 GLU ATOM 1016 CA VAL 16 -1.271 -21.801 15.180 24 LEU ATOM 1017 CA LYS 17 -4.478 -23.554 16.285 25 ALA ATOM 1018 CA LYS 18 -6.135 -20.199 16.993 26 ASP ATOM 1019 CA ALA 19 -5.085 -18.636 13.655 27 GLN ATOM 1020 CA LEU 20 -6.226 -21.681 11.683 28 LEU ATOM 1021 CA GLU 21 -9.605 -21.376 13.399 29 VAL ATOM 1022 CA GLU 22 -9.890 -17.658 12.597 30 LYS ATOM 1023 CA ARG 23 -9.129 -18.494 8.939 31 ASN ATOM 1024 CA GLY 24 -11.728 -21.324 8.575 32 ASN ATOM 1025 CA PHE 25 -9.149 -24.145 8.367 33 PHE ATOM 1026 CA VAL 26 -9.886 -27.451 10.130 34 ARG ATOM 1027 CA MET 28 -7.070 -29.268 11.993 35 ALA ATOM 1028 CA THR 29 -6.170 -32.342 14.054 36 THR ATOM 1029 CA VAL 30 -3.223 -32.141 16.518 37 LYS ATOM 1030 CA THR 31 -0.788 -34.886 17.561 38 LEU ATOM 1031 CA GLU 32 1.584 -34.679 20.534 39 ALA ATOM 1032 CA VAL 33 4.804 -35.934 18.956 40 THR ATOM 1033 CA LYS 34 8.499 -36.044 19.679 41 THR ATOM 1034 CA GLY 35 11.569 -35.258 17.591 42 GLY ATOM 1035 CA ARG 36 13.976 -37.975 16.518 43 GLY ATOM 1036 CA GLY 37 17.089 -35.888 17.077 44 PHE ATOM 1037 CA GLU 38 16.544 -33.839 20.244 45 LEU ATOM 1038 CA GLN 39 14.002 -36.321 21.630 46 ARG ATOM 1039 CA LYS 40 11.810 -33.578 23.069 47 ALA ATOM 1040 CA GLY 41 8.102 -32.994 22.687 48 GLY ATOM 1041 CA LYS 58 6.744 -31.157 19.683 49 ASN ATOM 1042 CA THR 59 3.354 -30.913 17.976 50 THR ATOM 1043 CA LYS 60 2.197 -32.320 14.643 51 THR ATOM 1044 CA VAL 61 -0.896 -30.863 12.906 52 PHE ATOM 1045 CA GLU 62 -2.872 -32.672 10.204 53 LEU ATOM 1046 CA VAL 63 -4.803 -30.254 7.924 54 CYS ATOM 1047 CA VAL 64 -6.998 -31.387 5.036 55 GLY ATOM 1048 CA VAL 65 -7.403 -28.435 2.718 56 VAL ATOM 1049 CA SER 66 -8.705 -27.627 -0.753 57 ASN ATOM 1050 CA ASP 67 -5.910 -27.213 -3.327 58 ASP ATOM 1051 CA ASP 68 -7.022 -23.586 -3.825 59 ASP ATOM 1052 CA ALA 69 -6.060 -22.671 -0.251 60 ARG ATOM 1053 CA VAL 70 -2.612 -24.275 0.135 61 VAL ATOM 1054 CA ASP 71 -0.679 -20.995 -0.290 62 ASP ATOM 1055 CA GLU 72 -2.993 -19.359 2.224 63 GLU ATOM 1056 CA VAL 73 -2.446 -22.041 4.881 64 ILE ATOM 1057 CA VAL 74 1.346 -22.112 4.328 65 LEU ATOM 1058 CA GLU 75 1.305 -18.386 4.960 66 SER ATOM 1059 CA ALA 76 -0.500 -18.865 8.293 67 VAL ATOM 1060 CA ILE 77 2.025 -21.516 9.412 68 ILE ATOM 1061 CA VAL 78 4.932 -19.302 8.418 69 ASN ATOM 1062 CA SER 79 3.531 -16.303 10.316 70 GLN ATOM 1063 CA SER 80 2.643 -18.124 13.543 71 THR ATOM 1064 CA ALA 81 5.479 -20.651 13.593 72 CYS ATOM 1065 CA ARG 82 8.847 -20.511 11.860 73 GLY ATOM 1066 CA THR 83 12.174 -19.171 13.070 74 ASN ATOM 1067 CA LYS 85 17.323 -18.467 16.265 75 GLU ATOM 1068 CA PHE 86 14.352 -20.317 17.756 76 VAL ATOM 1069 CA GLY 87 11.015 -21.735 16.628 77 GLY ATOM 1070 CA ASP 88 10.569 -23.137 13.142 78 GLY ATOM 1071 CA GLY 89 8.115 -25.212 11.151 79 ALA ATOM 1072 CA ARG 90 8.539 -28.260 8.878 80 THR ATOM 1073 CA ILE 91 5.701 -28.810 6.419 81 VAL ATOM 1074 CA PHE 92 4.762 -31.561 3.953 82 PHE ATOM 1075 CA VAL 93 2.059 -31.143 1.283 83 VAL ATOM 1076 CA ILE 94 0.629 -34.521 0.265 84 MET ATOM 1077 CA PRO 95 -1.900 -35.637 -2.369 85 PRO ATOM 1078 CA VAL 96 -5.361 -36.856 -1.356 86 VAL ATOM 1079 CA GLU 97 -7.523 -39.208 -3.494 87 ASP ATOM 1080 CA LYS 98 -10.856 -38.603 -1.707 88 ALA ATOM 1081 CA SER 99 -12.401 -36.841 1.300 89 PHE ATOM 1082 CA VAL 100 -15.538 -38.014 3.158 90 HIS ATOM 1083 CA LYS 101 -17.633 -37.053 6.148 91 GLN ATOM 1084 CA ILE 102 -20.026 -39.581 7.708 92 PHE TER 91 98.580 2 2gx8C1 ATOM 2001 CA MET 1 10.380 -30.046 25.928 4 MET ATOM 2002 CA LYS 2 12.955 -30.513 23.194 5 LYS ATOM 2003 CA MET 3 13.080 -32.556 20.049 6 LYS ATOM 2004 CA VAL 4 16.476 -34.143 19.504 7 VAL ATOM 2005 CA VAL 5 17.116 -35.049 15.876 8 VAL ATOM 2006 CA ALA 6 20.314 -37.060 15.273 9 VAL ATOM 2007 CA VAL 7 21.779 -38.363 11.942 10 PHE ATOM 2008 CA ILE 8 23.315 -41.842 12.066 11 VAL ATOM 2009 CA ARG 9 24.474 -44.448 9.560 12 PRO ATOM 2010 CA PRO 10 22.053 -47.466 9.333 13 VAL ATOM 2011 CA GLU 11 24.855 -49.623 10.751 14 THR ATOM 2012 CA LYS 12 24.633 -47.763 14.035 15 HIS ATOM 2013 CA LEU 13 21.038 -46.593 14.021 16 ALA ATOM 2014 CA GLU 14 19.540 -49.326 16.247 17 GLU ATOM 2015 CA CYS 15 22.343 -48.939 18.758 18 GLU ATOM 2016 CA VAL 16 21.739 -45.123 18.903 19 VAL ATOM 2017 CA LYS 17 17.969 -45.520 19.449 20 ARG ATOM 2018 CA LYS 18 18.669 -47.916 22.358 21 LYS ATOM 2019 CA ALA 19 21.094 -45.453 23.922 22 ALA ATOM 2020 CA LEU 20 18.613 -42.597 23.659 23 LEU ATOM 2021 CA GLU 21 15.820 -44.699 25.157 24 GLY ATOM 2022 CA GLU 22 17.809 -46.269 28.009 25 ASP ATOM 2023 CA ARG 23 18.935 -42.718 28.884 26 ALA ATOM 2024 CA GLY 24 15.268 -41.632 29.251 27 GLY ATOM 2025 CA PHE 25 14.538 -40.006 25.896 28 ALA ATOM 2026 CA VAL 26 11.097 -40.673 24.408 29 GLY ATOM 2027 CA GLY 27 9.490 -41.451 27.793 30 HIS ATOM 2028 CA MET 28 6.053 -39.794 27.645 31 ILE ATOM 2029 CA THR 29 9.658 -43.432 21.718 37 CYS ATOM 2030 CA VAL 30 11.534 -42.545 18.547 38 THR ATOM 2031 CA THR 31 10.923 -41.914 14.865 39 PHE ATOM 2032 CA GLU 32 13.369 -42.812 12.118 40 SER ATOM 2033 CA VAL 33 13.307 -42.097 8.384 41 SER ATOM 2034 CA LYS 34 15.931 -42.640 5.741 42 GLU ATOM 2035 CA GLY 35 17.464 -39.965 3.604 43 GLY ATOM 2036 CA ARG 36 20.642 -38.601 2.158 44 THR ATOM 2037 CA GLY 37 23.138 -36.239 3.787 45 GLY ATOM 2038 CA GLU 38 25.648 -34.158 1.846 46 THR ATOM 2039 CA GLN 39 28.923 -32.615 3.023 47 PHE ATOM 2040 CA LYS 40 32.096 -30.989 1.686 48 VAL ATOM 2041 CA GLY 41 35.062 -31.784 4.034 49 PRO ATOM 2042 CA ILE 42 37.306 -28.772 4.612 50 GLN ATOM 2043 CA ARG 43 40.998 -27.908 5.070 51 GLU ATOM 2044 CA LEU 44 42.179 -30.368 7.745 52 GLY ATOM 2045 CA GLY 48 35.735 -28.585 -2.443 53 GLY ATOM 2046 CA GLU 52 34.824 -32.271 -2.806 54 GLN ATOM 2047 CA VAL 53 31.007 -32.838 -2.436 55 LEU ATOM 2048 CA ASP 54 30.285 -36.140 -0.714 56 GLU ATOM 2049 CA LEU 55 26.924 -37.873 -0.284 57 ARG ATOM 2050 CA LEU 56 25.839 -40.515 2.235 58 VAL ATOM 2051 CA GLN 57 22.599 -42.466 2.864 59 GLU ATOM 2052 CA LYS 58 21.615 -41.864 6.503 60 GLU ATOM 2053 CA THR 59 18.933 -42.230 9.147 61 VAL ATOM 2054 CA LYS 60 17.258 -39.215 10.717 62 ARG ATOM 2055 CA VAL 61 16.287 -40.220 14.229 63 ILE ATOM 2056 CA GLU 62 14.103 -37.939 16.283 64 GLU ATOM 2057 CA VAL 63 12.974 -38.243 19.878 65 THR ATOM 2058 CA VAL 64 11.427 -35.970 22.484 66 ILE ATOM 2059 CA VAL 65 13.125 -35.007 25.787 67 ILE ATOM 2060 CA SER 66 12.568 -32.889 28.886 68 PRO ATOM 2061 CA ASP 67 15.201 -30.127 29.067 69 ALA ATOM 2062 CA ASP 68 16.629 -31.542 32.347 70 SER ATOM 2063 CA ALA 69 17.582 -34.810 30.586 71 LEU ATOM 2064 CA VAL 70 19.408 -33.048 27.717 72 GLN ATOM 2065 CA ASP 71 22.973 -33.386 29.035 73 ARG ATOM 2066 CA GLU 72 22.697 -37.101 29.951 74 LYS ATOM 2067 CA VAL 73 20.816 -37.989 26.730 75 VAL ATOM 2068 CA VAL 74 23.254 -36.129 24.406 76 ILE ATOM 2069 CA GLU 75 26.243 -37.783 26.125 77 LYS ATOM 2070 CA ALA 76 24.795 -41.309 25.723 78 ALA ATOM 2071 CA ILE 77 23.847 -40.534 22.144 79 MET ATOM 2072 CA VAL 78 27.391 -39.314 21.282 80 VAL ATOM 2073 CA SER 79 29.008 -42.319 22.967 81 THR ATOM 2074 CA SER 80 26.886 -44.823 20.980 82 ALA ATOM 2075 CA ALA 81 27.351 -42.864 17.788 83 HIS ATOM 2076 CA ARG 82 30.248 -44.212 15.703 84 PRO ATOM 2077 CA THR 83 31.355 -40.725 14.715 85 TYR ATOM 2078 CA GLY 84 33.584 -38.361 16.617 86 GLU ATOM 2079 CA LYS 85 32.071 -35.202 15.168 87 GLU ATOM 2080 CA PHE 86 28.276 -35.766 15.533 88 VAL ATOM 2081 CA ARG 90 25.495 -33.737 13.847 89 ALA ATOM 2082 CA ILE 91 22.368 -33.330 15.879 90 TYR ATOM 2083 CA PHE 92 19.819 -30.596 16.372 91 ASP ATOM 2084 CA VAL 93 17.833 -29.655 19.440 92 VAL ATOM 2085 CA ILE 94 14.567 -27.954 18.593 93 TYR ATOM 2086 CA PRO 95 12.566 -26.183 21.249 94 PRO ATOM 2087 CA VAL 96 8.926 -27.286 21.188 95 LEU ATOM 2088 CA GLU 97 5.684 -25.805 22.495 96 ASP ATOM 2089 CA LYS 98 4.821 -29.151 24.071 97 ASN ATOM 2090 CA SER 99 5.150 -29.071 27.870 98 LYS ATOM 2091 CA VAL 100 6.119 -31.907 30.251 99 GLY TER 95 105.430 3 5d4lA ATOM 3001 CA MET 1 93.261 -2.099 24.210 7 LEU ATOM 3002 CA LYS 2 91.818 1.171 22.891 8 LYS ATOM 3003 CA MET 3 90.200 1.155 19.457 9 LYS ATOM 3004 CA VAL 4 90.410 4.380 17.497 10 LEU ATOM 3005 CA VAL 5 88.043 5.117 14.624 11 GLU ATOM 3006 CA ALA 6 89.579 8.006 12.687 12 ILE ATOM 3007 CA VAL 7 87.204 9.518 10.142 13 ILE ATOM 3008 CA ILE 8 88.575 12.084 7.672 14 LEU ATOM 3009 CA ARG 9 88.769 12.855 3.945 15 GLU ATOM 3010 CA PRO 10 90.556 10.297 1.782 16 GLY ATOM 3011 CA GLU 11 92.978 12.942 0.491 17 ALA ATOM 3012 CA LYS 12 94.659 12.968 3.897 18 HIS ATOM 3013 CA LEU 13 95.137 9.209 4.273 19 LYS ATOM 3014 CA GLU 14 98.930 9.290 3.965 20 GLU ATOM 3015 CA CYS 15 99.233 12.097 6.497 21 PHE ATOM 3016 CA VAL 16 97.132 10.258 9.075 22 ALA ATOM 3017 CA LYS 17 98.878 7.001 8.442 23 THR ATOM 3018 CA LYS 18 102.433 8.482 8.739 24 ASP ATOM 3019 CA ALA 19 101.217 9.971 11.986 25 LEU ATOM 3020 CA LEU 20 100.264 6.501 13.274 26 LEU ATOM 3021 CA GLU 21 103.574 5.041 12.001 27 ASP ATOM 3022 CA GLU 22 105.709 7.745 13.644 28 ARG ATOM 3023 CA ARG 23 103.912 7.262 16.951 29 ALA ATOM 3024 CA GLY 24 104.650 3.546 16.879 30 GLY ATOM 3025 CA PHE 25 101.218 2.133 16.075 31 VAL ATOM 3026 CA VAL 26 101.788 -1.459 14.929 32 LYS ATOM 3027 CA GLY 27 99.137 -1.495 12.213 33 GLY ATOM 3028 CA MET 28 95.753 -0.226 11.063 34 TYR ATOM 3029 CA THR 29 92.892 -1.054 8.729 35 THR ATOM 3030 CA VAL 30 90.958 1.263 6.476 36 ILE ATOM 3031 CA THR 31 87.289 1.321 5.548 37 VAL ATOM 3032 CA GLU 32 83.561 4.854 0.787 39 ASN ATOM 3033 CA VAL 33 82.201 6.686 3.788 40 LEU ATOM 3034 CA LYS 34 80.208 9.866 3.364 41 SER ATOM 3035 CA GLY 35 78.902 12.202 5.995 42 GLY ATOM 3036 CA ARG 36 77.248 15.365 7.077 43 LYS ATOM 3037 CA GLY 37 77.607 17.882 9.880 44 GLY ATOM 3038 CA GLU 38 79.290 17.706 13.276 45 SER ATOM 3039 CA GLN 39 80.233 14.289 14.529 46 HIS ATOM 3040 CA LYS 40 80.709 14.894 18.250 47 GLY ATOM 3041 CA GLN 45 83.375 17.604 18.322 48 MET ATOM 3042 CA PHE 46 83.523 21.074 19.903 49 TYR ATOM 3043 CA ARG 47 81.215 23.754 18.425 50 GLU ATOM 3044 CA GLY 48 82.868 25.327 15.412 51 GLY ATOM 3045 CA ARG 49 84.828 22.221 14.416 52 HIS ATOM 3046 CA GLU 50 84.712 21.860 10.641 53 LEU ATOM 3047 CA VAL 51 81.753 19.770 9.530 54 MET ATOM 3048 CA GLU 52 81.605 17.110 6.852 55 PHE ATOM 3049 CA VAL 53 79.496 17.776 3.833 56 ASN ATOM 3050 CA ASP 54 77.879 15.822 1.062 57 GLU ATOM 3051 CA LEU 55 80.771 15.844 -1.349 58 ASP ATOM 3052 CA LEU 56 83.376 14.560 1.077 59 ASP ATOM 3053 CA GLN 57 84.801 11.148 0.197 60 ALA ATOM 3054 CA LYS 58 85.563 9.885 3.668 61 LEU ATOM 3055 CA THR 59 87.507 6.936 5.026 62 ILE ATOM 3056 CA LYS 60 87.696 5.398 8.449 63 MET ATOM 3057 CA VAL 61 91.085 4.454 9.800 64 ILE ATOM 3058 CA GLU 62 90.956 1.857 12.588 65 ILE ATOM 3059 CA VAL 63 93.886 1.422 15.001 66 ALA ATOM 3060 CA VAL 64 93.913 -0.815 18.073 67 ALA ATOM 3061 CA VAL 65 96.345 0.773 20.452 68 VAL ATOM 3062 CA SER 66 97.608 0.499 24.059 69 PRO ATOM 3063 CA ASP 67 95.922 3.009 26.387 70 GLU ATOM 3064 CA ASP 68 99.156 5.006 26.768 71 GLU ATOM 3065 CA ALA 69 99.280 5.808 23.052 72 LEU ATOM 3066 CA VAL 70 95.907 7.574 23.001 73 VAL ATOM 3067 CA ASP 71 96.731 10.960 24.526 74 GLY ATOM 3068 CA GLU 72 99.815 11.496 22.303 75 PRO ATOM 3069 CA VAL 73 97.816 10.496 19.181 76 LEU ATOM 3070 CA VAL 74 94.966 12.923 19.855 77 LEU ATOM 3071 CA GLU 75 97.574 15.664 20.411 78 GLU ATOM 3072 CA ALA 76 99.158 14.698 17.112 79 GLY ATOM 3073 CA ILE 77 95.894 14.978 15.189 80 PHE ATOM 3074 CA VAL 78 94.684 18.230 16.777 81 GLN ATOM 3075 CA SER 79 96.623 20.683 14.580 82 PRO ATOM 3076 CA SER 80 95.187 18.770 11.642 83 PHE ATOM 3077 CA ALA 81 91.594 18.990 12.900 84 PHE ATOM 3078 CA ARG 82 91.919 22.740 13.396 85 GLU ATOM 3079 CA LYS 85 91.947 23.136 9.605 86 ALA ATOM 3080 CA PHE 86 90.183 19.980 8.383 87 HIS ATOM 3081 CA ASP 88 86.960 18.120 9.043 88 SER ATOM 3082 CA GLY 89 87.059 14.826 10.930 89 GLY ATOM 3083 CA ARG 90 86.853 13.046 14.277 90 VAL ATOM 3084 CA ILE 91 88.446 10.303 16.429 91 VAL ATOM 3085 CA PHE 92 86.178 7.902 18.314 92 PHE ATOM 3086 CA VAL 93 87.912 6.172 21.210 93 VAL ATOM 3087 CA ILE 94 86.477 2.771 22.309 94 HIS ATOM 3088 CA PRO 95 87.358 0.114 24.918 95 ASP ATOM 3089 CA VAL 96 87.925 -3.258 23.277 96 ILE ATOM 3090 CA GLU 97 89.533 -6.570 24.072 97 GLN ATOM 3091 CA LYS 98 91.584 -8.888 21.870 98 VAL ATOM 3092 CA SER 99 92.102 -12.583 22.529 99 GLY ATOM 3093 CA VAL 100 95.583 -14.114 22.686 100 ARG ATOM 3094 CA LYS 101 96.474 -17.785 23.316 101 PRO ATOM 3095 CA ILE 102 98.236 -18.350 26.660 102 ILE TER