3 101 (N_temp, Lch) 94 238.190 1 2j9iL1 ATOM 1001 CA THR 2 -13.998 -42.241 53.387 1 SER ATOM 1002 CA PRO 3 -17.062 -40.087 52.551 2 ALA ATOM 1003 CA ASP 4 -16.348 -38.213 55.837 3 GLU ATOM 1004 CA ASP 5 -12.815 -37.198 54.646 4 HIS ATOM 1005 CA VAL 6 -14.143 -35.746 51.328 5 VAL ATOM 1006 CA PHE 7 -16.835 -33.802 53.280 6 LEU ATOM 1007 CA LYS 8 -14.301 -32.412 55.869 7 THR ATOM 1008 CA LEU 9 -11.886 -31.342 53.042 8 MET ATOM 1009 CA ALA 10 -14.626 -28.871 51.880 9 LEU ATOM 1010 CA LYS 11 -14.380 -27.149 55.329 10 ASN ATOM 1011 CA ASP 12 -10.557 -27.647 55.786 11 GLU ATOM 1012 CA GLU 13 -9.829 -25.840 52.436 12 HIS ATOM 1013 CA LYS 14 -13.021 -23.631 52.378 13 ALA ATOM 1014 CA VAL 15 -13.985 -25.048 48.916 14 ALA ATOM 1015 CA GLU 16 -16.713 -22.976 47.146 15 ALA ATOM 1016 CA TYR 17 -16.909 -25.432 44.152 16 PHE ATOM 1017 CA VAL 18 -15.853 -29.019 43.209 17 VAL ATOM 1018 CA ASP 19 -14.656 -30.409 39.817 18 ARG ATOM 1019 CA VAL 20 -15.689 -33.867 38.530 19 PHE ATOM 1020 CA ARG 21 -13.063 -35.384 36.150 20 GLU ATOM 1021 CA PHE 22 -12.932 -38.227 33.550 21 ALA ATOM 1022 CA CYS 23 -11.089 -39.296 30.297 22 THR ATOM 1023 CA ASP 24 -12.297 -40.131 26.734 23 ASP ATOM 1024 CA LEU 25 -11.478 -43.111 24.427 24 ALA ATOM 1025 CA PRO 26 -8.898 -41.029 22.424 25 ALA ATOM 1026 CA GLY 27 -6.858 -40.248 25.626 26 GLY ATOM 1027 CA ILE 28 -7.780 -36.670 26.724 27 ALA ATOM 1028 CA MET 29 -9.099 -35.685 30.189 28 SER ATOM 1029 CA GLN 30 -12.469 -33.826 30.547 29 ARG ATOM 1030 CA HIS 31 -14.237 -32.083 33.487 30 SER ATOM 1031 CA PHE 32 -17.419 -30.400 34.896 31 LYS ATOM 1032 CA THR 33 -18.173 -28.485 38.166 32 SER ATOM 1033 CA ILE 34 -20.830 -27.379 40.727 33 ILE ATOM 1034 CA PRO 35 -20.989 -25.480 44.101 34 PRO ATOM 1035 CA ALA 36 -19.738 -27.525 47.114 35 ALA ATOM 1036 CA SER 37 -23.195 -27.084 48.832 36 GLN ATOM 1037 CA ALA 38 -24.707 -29.932 46.672 37 PHE ATOM 1038 CA PHE 39 -22.527 -32.671 48.339 38 PHE ATOM 1039 CA LYS 41 -24.730 -35.065 50.441 39 GLU ATOM 1040 CA SER 42 -24.996 -38.823 51.404 40 LYS ATOM 1041 CA VAL 43 -27.052 -39.731 48.244 41 VAL ATOM 1042 CA PHE 44 -24.335 -38.899 45.621 42 ILE ATOM 1043 CA ASP 45 -21.899 -41.267 47.474 43 HIS ATOM 1044 CA ASP 46 -26.008 -42.865 43.219 45 ARG ATOM 1045 CA GLY 47 -23.462 -40.452 41.586 46 GLY ATOM 1046 CA LEU 48 -24.721 -37.674 39.234 47 TYR ATOM 1047 CA ALA 49 -27.299 -38.343 36.476 48 LEU ATOM 1048 CA PHE 50 -26.744 -36.452 33.161 49 GLU ATOM 1049 CA ASP 51 -28.002 -36.373 29.542 50 ASP ATOM 1050 CA GLY 52 -25.492 -38.464 27.517 51 GLY ATOM 1051 CA SER 53 -26.690 -37.209 24.032 52 GLU ATOM 1052 CA SER 54 -24.015 -34.426 24.443 53 VAL ATOM 1053 CA ILE 55 -21.473 -37.211 23.508 54 ASN ATOM 1054 CA ARG 56 -21.945 -39.213 20.224 55 ALA ATOM 1055 CA GLY 57 -20.903 -42.590 21.860 56 GLY ATOM 1056 CA PHE 58 -22.307 -42.546 25.469 57 ALA ATOM 1057 CA GLN 59 -26.185 -42.639 25.156 58 ALA ATOM 1058 CA SER 60 -29.230 -42.514 22.783 59 GLY ATOM 1059 CA ILE 61 -32.493 -40.486 22.537 60 ALA ATOM 1060 CA HIS 62 -34.671 -43.145 24.330 61 ALA ATOM 1061 CA GLU 63 -31.987 -43.547 27.109 62 ALA ATOM 1062 CA SER 64 -30.927 -39.869 27.806 63 SER ATOM 1063 CA ASP 65 -29.813 -40.697 31.432 64 ASP ATOM 1064 CA MET 66 -26.261 -41.901 32.388 65 ILE ATOM 1065 CA LEU 67 -24.199 -41.620 35.641 66 VAL ATOM 1066 CA LEU 68 -20.886 -40.000 36.576 67 LEU ATOM 1067 CA LEU 69 -19.605 -41.763 39.749 68 MET ATOM 1068 CA PRO 70 -17.083 -39.723 41.867 69 PRO ATOM 1069 CA ASP 71 -14.850 -41.516 44.433 70 GLU ATOM 1070 CA PRO 72 -13.969 -41.003 48.100 71 LEU ATOM 1071 CA GLU 73 -10.199 -41.794 48.303 72 SER ATOM 1072 CA THR 74 -9.048 -39.588 45.333 73 THR ATOM 1073 CA ALA 75 -10.087 -35.970 46.213 74 ALA ATOM 1074 CA ARG 76 -7.518 -33.093 46.042 75 ALA ATOM 1075 CA ILE 77 -7.364 -29.239 46.256 76 VAL ATOM 1076 CA ASP 78 -7.511 -27.689 42.728 77 ALA ATOM 1077 CA PRO 79 -4.656 -25.271 43.695 78 ALA ATOM 1078 CA PHE 80 -4.079 -23.953 40.092 79 ALA ATOM 1079 CA ARG 81 -7.602 -22.312 40.136 80 ALA ATOM 1080 CA ALA 82 -8.408 -18.583 40.738 81 ALA ATOM 1081 CA ALA 83 -10.590 -19.557 43.809 82 ALA ATOM 1082 CA LYS 84 -10.811 -22.048 46.739 83 ALA ATOM 1083 CA THR 85 -11.971 -25.292 44.966 84 THR ATOM 1084 CA LEU 86 -11.414 -29.097 44.874 85 ALA ATOM 1085 CA ASN 87 -11.236 -31.894 42.234 86 ALA ATOM 1086 CA ILE 88 -12.419 -35.563 42.184 87 VAL ATOM 1087 CA ASN 89 -11.874 -38.208 39.451 88 ILE ATOM 1088 CA PHE 90 -14.874 -40.389 38.486 89 CYS ATOM 1089 CA PHE 91 -15.863 -43.666 36.871 90 ASP ATOM 1090 CA VAL 92 -18.840 -43.639 34.405 91 GLY ATOM 1091 CA HIS 93 -21.840 -46.018 34.396 92 GLY ATOM 1092 CA ASP 94 -25.488 -47.064 33.820 93 ALA ATOM 1093 CA PRO 95 -24.034 -49.677 32.463 94 ALA ATOM 1094 CA PHE 96 -21.078 -48.966 31.302 95 ALA TER 84 105.940 2 4baxA1 ATOM 2001 CA GLU 13 -12.046 -3.754 13.586 1 HIS ATOM 2002 CA LYS 14 -9.476 -5.374 15.847 2 MET ATOM 2003 CA VAL 15 -5.884 -6.465 16.206 3 THR ATOM 2004 CA GLU 16 -4.704 -8.942 18.805 4 PHE ATOM 2005 CA TYR 17 -1.578 -10.904 19.665 5 LYS ATOM 2006 CA VAL 18 -1.380 -14.679 19.264 6 ALA ATOM 2007 CA ASP 19 1.497 -16.633 20.807 7 GLU ATOM 2008 CA VAL 20 2.198 -19.744 18.767 8 TYR ATOM 2009 CA ARG 21 3.749 -22.410 20.941 9 ILE ATOM 2010 CA PHE 22 5.137 -25.713 19.773 10 TRP ATOM 2011 CA CYS 23 7.408 -28.606 20.796 11 ILE ATOM 2012 CA ASP 24 10.641 -29.181 18.880 12 ASP ATOM 2013 CA LEU 25 12.625 -32.259 17.854 13 GLY ATOM 2014 CA PRO 26 15.459 -31.850 20.377 14 THR ATOM 2015 CA GLY 27 16.972 -35.030 21.799 15 GLU ATOM 2016 CA ILE 28 16.790 -36.637 24.335 16 PRO ATOM 2017 CA MET 29 9.085 -25.589 23.816 20 LEU ATOM 2018 CA GLN 30 9.352 -22.898 21.131 21 ARG ATOM 2019 CA HIS 31 7.291 -19.770 20.633 22 SER ATOM 2020 CA PHE 32 6.743 -16.685 18.520 23 LYS ATOM 2021 CA THR 33 4.195 -13.878 18.239 24 THR ATOM 2022 CA ILE 34 1.767 -13.336 15.425 25 LYS ATOM 2023 CA PRO 35 -0.183 -10.098 15.070 26 ILE ATOM 2024 CA ALA 36 -3.654 -10.791 13.800 27 ILE ATOM 2025 CA SER 37 -6.133 -8.254 12.455 28 THR ATOM 2026 CA ALA 38 -9.320 -10.223 12.056 29 ALA ATOM 2027 CA PHE 39 -12.551 -11.173 13.827 30 ALA ATOM 2028 CA LYS 41 -11.926 -13.649 16.696 31 PRO ATOM 2029 CA SER 42 -13.174 -17.245 16.438 32 ALA ATOM 2030 CA VAL 43 -12.072 -20.459 18.115 33 GLY ATOM 2031 CA PHE 44 -9.118 -22.308 16.615 34 LEU ATOM 2032 CA ASP 45 -10.705 -22.833 13.157 35 ASP ATOM 2033 CA ASP 46 -10.276 -19.178 12.225 36 ALA ATOM 2034 CA GLY 47 -1.696 -22.191 10.186 39 VAL ATOM 2035 CA LEU 48 1.860 -20.966 10.232 40 TRP ATOM 2036 CA ALA 49 5.413 -22.060 9.593 41 GLY ATOM 2037 CA PHE 50 8.959 -21.748 10.821 42 PHE ATOM 2038 CA ASP 51 12.525 -22.685 10.002 43 ASP ATOM 2039 CA GLY 52 13.323 -26.189 11.249 44 GLY ATOM 2040 CA SER 53 17.137 -26.144 11.151 45 SER ATOM 2041 CA SER 54 17.163 -23.908 14.205 46 SER ATOM 2042 CA ILE 55 14.929 -26.235 16.256 47 THR ATOM 2043 CA GLY 57 16.425 -29.767 15.817 48 ASN ATOM 2044 CA PHE 58 13.499 -30.458 13.483 49 GLN ATOM 2045 CA GLN 59 16.023 -30.435 10.719 50 ALA ATOM 2046 CA SER 60 19.587 -29.418 11.639 51 GLU ATOM 2047 CA ILE 61 19.716 -29.929 7.856 52 GLY ATOM 2048 CA HIS 62 18.858 -28.384 4.461 53 SER ATOM 2049 CA GLU 63 15.334 -29.675 3.670 54 SER ATOM 2050 CA SER 64 12.971 -29.067 6.592 55 SER ATOM 2051 CA ASP 65 10.553 -26.175 6.582 56 ASP ATOM 2052 CA MET 66 7.808 -26.766 9.041 57 CYS ATOM 2053 CA LEU 67 4.123 -26.028 9.386 58 VAL ATOM 2054 CA LEU 68 2.363 -24.920 12.590 59 LEU ATOM 2055 CA LEU 69 -1.162 -26.181 13.006 60 LYS ATOM 2056 CA PRO 70 -3.216 -24.845 15.993 61 PRO ATOM 2057 CA ASP 71 -4.698 -27.620 18.163 62 VAL ATOM 2058 CA THR 74 -5.473 -25.698 21.338 63 PHE ATOM 2059 CA ALA 75 -5.881 -22.019 22.312 64 SER ATOM 2060 CA ARG 76 -6.507 -20.029 25.472 65 CYS ATOM 2061 CA ILE 77 -6.174 -16.473 26.791 66 PRO ATOM 2062 CA ASP 78 -2.683 -15.025 27.260 67 ASP ATOM 2063 CA PRO 79 -2.641 -14.314 31.043 68 PRO ATOM 2064 CA PHE 80 0.615 -12.349 30.900 69 ILE ATOM 2065 CA ARG 81 -0.218 -10.054 28.015 70 ARG ATOM 2066 CA ALA 82 -3.854 -9.834 29.073 71 GLY ATOM 2067 CA ALA 83 -6.716 -8.288 27.121 72 GLY ATOM 2068 CA LYS 84 -7.721 -9.999 23.896 73 GLU ATOM 2069 CA THR 85 -4.374 -11.716 23.433 74 ASP ATOM 2070 CA LEU 86 -4.122 -15.513 23.206 75 ILE ATOM 2071 CA ASN 87 -1.805 -18.532 23.331 76 LEU ATOM 2072 CA ILE 88 -1.926 -20.946 20.427 77 VAL ATOM 2073 CA ASN 89 -0.506 -24.426 20.946 78 LEU ATOM 2074 CA PHE 90 0.348 -26.104 17.592 79 CYS ATOM 2075 CA PHE 91 1.410 -29.427 16.233 80 GLU ATOM 2076 CA VAL 92 4.215 -29.583 13.707 81 VAL ATOM 2077 CA HIS 93 3.608 -30.772 10.178 82 LEU ATOM 2078 CA ASP 94 5.675 -31.433 7.101 83 ASP ATOM 2079 CA PRO 95 4.956 -29.210 4.059 84 THR ATOM 2080 CA PHE 96 2.580 -31.908 2.766 85 ASP ATOM 2081 CA LEU 98 0.505 -31.339 5.931 86 MET ATOM 2082 CA GLU 99 1.439 -34.760 7.302 87 THR ATOM 2083 CA PRO 100 2.794 -35.004 10.876 88 PRO ATOM 2084 CA TYR 101 6.476 -34.167 11.312 89 HIS TER 75 131.150 3 5dm3A1 ATOM 3001 CA LYS 1 21.320 -50.053 -0.694 2 LEU ATOM 3002 CA THR 2 22.945 -48.677 -3.855 3 ALA ATOM 3003 CA PRO 3 24.691 -45.306 -3.518 4 LEU ATOM 3004 CA ASP 4 22.808 -44.011 -6.537 5 ASP ATOM 3005 CA ASP 5 19.658 -45.322 -4.870 6 ASP ATOM 3006 CA VAL 6 20.431 -43.333 -1.686 7 LEU ATOM 3007 CA PHE 7 20.906 -40.234 -3.817 8 LYS ATOM 3008 CA LYS 8 17.356 -40.603 -5.186 9 THR ATOM 3009 CA LEU 9 16.058 -41.054 -1.643 10 ARG ATOM 3010 CA ALA 10 17.890 -37.871 -0.604 11 VAL ATOM 3011 CA LYS 11 16.666 -35.614 -3.409 12 GLU ATOM 3012 CA ASP 12 13.205 -36.992 -2.844 13 SER ATOM 3013 CA GLU 13 13.755 -35.884 0.723 14 GLY ATOM 3014 CA LYS 14 13.005 -39.365 2.086 15 GLU ATOM 3015 CA VAL 15 16.467 -39.812 3.642 16 ILE ATOM 3016 CA GLU 16 18.252 -36.903 5.392 17 ASP ATOM 3017 CA TYR 17 20.556 -38.720 7.833 18 THR ATOM 3018 CA VAL 18 23.385 -41.184 7.245 19 VAL ATOM 3019 CA ASP 19 24.967 -42.714 10.312 20 LEU ATOM 3020 CA VAL 20 28.604 -43.172 9.363 21 VAL ATOM 3021 CA ARG 21 29.812 -45.826 11.752 22 CYS ATOM 3022 CA PHE 22 32.711 -47.880 12.828 23 ILE ATOM 3023 CA CYS 23 32.553 -50.701 15.390 24 VAL ATOM 3024 CA ASP 24 34.478 -50.301 18.636 25 ASP ATOM 3025 CA LEU 25 35.915 -52.862 21.075 26 MET ATOM 3026 CA PRO 26 32.652 -53.048 22.996 27 GLN ATOM 3027 CA GLY 27 30.903 -54.012 19.779 28 GLY ATOM 3028 CA ILE 28 29.087 -50.718 19.484 29 ARG ATOM 3029 CA MET 29 28.177 -48.566 16.550 30 LEU ATOM 3030 CA GLN 30 30.263 -45.409 17.055 31 MET ATOM 3031 CA HIS 31 30.575 -42.528 14.604 32 GLY ATOM 3032 CA PHE 32 28.951 -39.397 13.245 33 LYS ATOM 3033 CA THR 33 25.473 -38.408 12.001 34 ARG ATOM 3034 CA ILE 34 25.881 -36.644 8.636 35 LEU ATOM 3035 CA PRO 35 23.260 -34.619 6.860 36 HIS ATOM 3036 CA ALA 36 22.669 -36.939 3.896 37 ALA ATOM 3037 CA SER 37 23.158 -34.141 1.380 38 ARG ATOM 3038 CA ALA 38 26.642 -33.661 2.713 39 HIS ATOM 3039 CA PHE 39 27.190 -37.436 2.654 40 PHE ATOM 3040 CA LYS 41 26.259 -37.887 -1.005 41 VAL ATOM 3041 CA SER 42 28.334 -34.866 -1.994 42 ASP ATOM 3042 CA VAL 43 31.598 -35.423 -0.112 43 HIS ATOM 3043 CA PHE 44 30.793 -37.387 3.019 44 GLY ATOM 3044 CA ASP 45 31.055 -40.836 1.424 45 TRP ATOM 3045 CA ASP 46 34.546 -39.862 0.317 46 GLU ATOM 3046 CA GLY 47 36.109 -39.713 3.776 47 GLU ATOM 3047 CA LEU 48 35.623 -38.069 7.173 48 THR ATOM 3048 CA ALA 49 37.692 -38.134 10.384 49 HIS ATOM 3049 CA PHE 50 37.418 -38.533 14.182 50 CYS ATOM 3050 CA LEU 67 40.040 -41.423 9.329 51 ILE ATOM 3051 CA LEU 68 36.855 -43.367 8.489 52 MET ATOM 3052 CA LEU 69 36.408 -44.718 4.987 53 LYS ATOM 3053 CA PRO 70 32.811 -45.779 4.358 54 PRO ATOM 3054 CA ASP 71 32.362 -49.183 2.745 55 ASP ATOM 3055 CA PRO 72 29.463 -48.574 0.340 56 LEU ATOM 3056 CA GLU 73 28.731 -52.310 0.241 57 ALA ATOM 3057 CA THR 74 27.504 -51.922 3.812 58 THR ATOM 3058 CA ALA 75 25.031 -49.137 3.047 59 LEU ATOM 3059 CA ARG 76 21.527 -49.850 4.441 60 ARG ATOM 3060 CA ILE 77 18.349 -48.045 5.241 61 CYS ATOM 3061 CA ASP 78 17.530 -47.979 8.975 62 VAL ATOM 3062 CA PRO 79 13.738 -48.525 9.105 63 PRO ATOM 3063 CA PHE 80 13.525 -48.062 12.844 64 TRP ATOM 3064 CA ARG 81 14.740 -44.477 12.221 65 LEU ATOM 3065 CA ALA 82 12.986 -41.724 10.234 66 GLU ATOM 3066 CA LYS 84 14.880 -40.244 7.288 67 GLY ATOM 3067 CA THR 85 17.900 -42.318 8.214 68 THR ATOM 3068 CA LEU 86 20.433 -44.590 6.525 69 ALA ATOM 3069 CA ASN 87 23.727 -46.126 7.676 70 MET ATOM 3070 CA ILE 88 27.131 -47.268 6.458 71 VAL ATOM 3071 CA ASN 89 30.018 -49.123 8.168 72 LEU ATOM 3072 CA PHE 90 33.601 -47.896 7.655 73 CYS ATOM 3073 CA PHE 91 37.174 -49.038 7.527 74 ASP ATOM 3074 CA VAL 92 39.279 -47.069 9.998 75 LEU ATOM 3075 CA HIS 93 42.517 -45.598 8.599 76 LEU TER