5 107 (N_temp, Lch) 106 199.810 1 3p26A2 ATOM 1001 CA ALA 1 7.868 14.213 58.725 6 ALA ATOM 1002 CA ASP 2 11.022 14.214 56.660 7 GLN ATOM 1003 CA GLU 3 9.764 17.045 54.500 8 CYS ATOM 1004 CA PHE 4 7.514 20.030 54.915 9 PHE ATOM 1005 CA THR 5 6.928 23.431 53.375 10 VAL ATOM 1006 CA ALA 6 8.030 26.682 54.962 11 LEU ATOM 1007 CA ARG 7 6.711 30.118 54.321 12 GLU ATOM 1008 CA ILE 8 10.216 31.543 54.441 13 LEU ATOM 1009 CA ILE 9 11.414 35.056 55.271 14 THR ATOM 1010 CA VAL 10 15.075 35.580 54.465 15 THR ATOM 1011 CA VAL 11 17.388 38.063 56.175 16 PHE ATOM 1012 CA TRP 12 20.822 39.376 55.222 17 ASP ATOM 1013 CA HIS 13 22.704 36.272 54.094 18 MET ATOM 1014 CA PRO 14 26.296 35.702 52.949 19 ASN ATOM 1015 CA THR 15 25.432 33.228 50.200 20 ARG ATOM 1016 CA ALA 16 22.093 32.591 48.429 21 PRO ATOM 1017 CA LEU 17 19.928 29.558 49.190 22 LEU ATOM 1018 CA ALA 18 19.869 26.880 46.518 23 LEU ATOM 1019 CA ASN 19 18.214 23.524 46.009 24 PRO ATOM 1020 CA GLY 20 20.258 21.292 48.313 25 GLY ATOM 1021 CA TYR 21 21.718 23.966 50.598 26 THR ATOM 1022 CA THR 22 22.122 22.548 54.141 27 PRO ATOM 1023 CA PRO 23 21.519 24.576 57.296 28 PHE ATOM 1024 CA VAL 24 20.523 24.069 60.896 29 ILE ATOM 1025 CA LEU 25 16.828 24.107 61.690 30 LEU ATOM 1026 CA HIS 26 15.646 25.345 65.077 31 PHE ATOM 1027 CA VAL 27 12.177 24.607 66.324 32 ILE ATOM 1028 CA HIS 28 10.941 25.097 69.847 33 GLY ATOM 1029 CA THR 29 13.571 23.596 72.097 34 VAL ATOM 1030 CA ALA 30 14.953 21.285 69.385 35 LYS ATOM 1031 CA SER 31 17.606 21.757 66.686 36 GLU ATOM 1032 CA VAL 32 18.138 19.577 63.627 37 GLN ATOM 1033 CA ALA 33 20.300 19.634 60.503 38 PRO ATOM 1034 CA CYS 34 18.322 19.986 57.260 39 ALA ATOM 1035 CA ARG 35 18.484 21.162 53.654 40 ARG ATOM 1036 CA VAL 36 16.467 22.917 50.965 41 ILE ATOM 1037 CA SER 37 14.748 20.324 48.846 42 LYS ATOM 1038 CA GLU 38 12.917 22.730 46.545 43 ARG ATOM 1039 CA LEU 39 12.582 26.421 45.975 44 LEU ATOM 1040 CA VAL 40 8.874 26.490 45.182 45 ILE ATOM 1041 CA SER 41 7.949 30.124 44.582 46 SER ATOM 1042 CA LYS 42 8.585 33.714 45.563 47 PHE ATOM 1043 CA LEU 43 5.822 35.430 47.490 48 ILE ATOM 1044 CA ASP 44 4.988 38.843 46.089 49 ASP ATOM 1045 CA PRO 45 2.013 39.731 48.290 50 LYS ATOM 1046 CA ARG 46 1.209 38.409 51.767 51 GLY ATOM 1047 CA THR 47 0.878 34.794 50.668 52 ASN ATOM 1048 CA GLY 48 0.428 35.074 46.894 53 THR ATOM 1049 CA GLU 50 2.748 32.733 44.981 54 ALA ATOM 1050 CA ALA 51 4.550 34.837 42.366 55 SER ATOM 1051 CA GLU 52 4.993 33.610 38.797 56 LYS ATOM 1052 CA LYS 53 8.618 34.794 38.697 57 LYS ATOM 1053 CA ASN 54 10.795 31.740 38.116 58 LYS ATOM 1054 CA PRO 55 12.949 31.094 41.174 59 ILE ATOM 1055 CA GLN 56 16.408 29.593 40.756 60 ARG ATOM 1056 CA PHE 57 17.909 30.753 44.026 61 HIS ATOM 1057 CA LEU 58 16.843 32.592 47.151 62 LEU ATOM 1058 CA LYS 59 18.792 35.698 48.153 63 GLY ATOM 1059 CA GLN 60 18.656 38.204 51.007 64 SER ATOM 1060 CA GLY 61 15.547 40.045 52.199 65 LYS ATOM 1061 CA ASP 62 13.141 37.848 50.218 66 GLN ATOM 1062 CA VAL 63 10.086 35.765 51.057 67 ARG ATOM 1063 CA ALA 64 9.383 32.431 49.394 68 ALA ATOM 1064 CA ILE 65 7.718 29.075 49.803 69 PHE ATOM 1065 CA VAL 66 10.313 26.373 50.250 70 VAL ATOM 1066 CA LYS 67 10.413 22.638 50.791 71 GLU ATOM 1067 CA PHE 68 12.757 21.455 53.494 72 ILE ATOM 1068 CA LYS 69 14.173 18.016 54.062 73 GLU ATOM 1069 CA PRO 70 15.474 16.844 57.420 74 LEU ATOM 1070 CA ILE 71 18.166 9.823 64.523 78 LYS ATOM 1071 CA LYS 72 14.676 10.477 65.922 79 ARG ATOM 1072 CA PRO 73 11.436 11.885 64.501 80 TRP ATOM 1073 CA LEU 74 10.382 15.430 65.270 81 ILE ATOM 1074 CA CYS 75 6.720 16.090 66.100 82 PRO ATOM 1075 CA VAL 76 5.523 18.927 63.871 83 LEU ATOM 1076 CA GLU 77 2.541 21.276 63.820 84 LEU ATOM 1077 CA LYS 78 1.662 23.815 61.080 85 THR ATOM 1078 CA TYR 79 1.610 27.494 61.944 86 ALA ATOM 1079 CA ASN 80 -2.095 27.693 61.085 87 HIS ATOM 1080 CA GLU 81 -2.930 25.158 63.797 88 GLU ATOM 1081 CA PHE 82 -0.694 27.010 66.285 89 ASN ATOM 1082 CA PRO 83 1.185 30.237 65.532 90 ASP ATOM 1083 CA PRO 84 3.917 29.772 68.155 91 ARG ATOM 1084 CA LEU 85 4.645 26.068 67.634 92 LEU ATOM 1085 CA GLY 86 4.602 26.443 63.845 93 GLY ATOM 1086 CA ARG 87 7.637 28.771 63.841 94 ARG ATOM 1087 CA PHE 88 11.175 27.850 62.904 95 VAL ATOM 1088 CA ALA 89 14.479 29.689 62.514 96 VAL ATOM 1089 CA MET 90 17.295 28.794 60.139 97 LEU ATOM 1090 CA ARG 91 20.990 29.168 60.788 98 ARG ATOM 1091 CA ASP 92 24.103 28.343 58.807 99 LYS ATOM 1092 CA MET 93 27.775 29.122 59.359 100 ASP ATOM 1093 CA GLY 94 26.813 30.524 62.750 101 GLY ATOM 1094 CA LYS 95 24.436 33.182 61.472 102 ARG ATOM 1095 CA THR 96 20.680 33.562 61.590 103 THR ATOM 1096 CA VAL 97 19.697 33.496 57.910 104 ILE ATOM 1097 CA GLY 98 15.931 33.064 57.960 105 ALA ATOM 1098 CA VAL 99 12.661 32.527 59.786 106 ALA ATOM 1099 CA GLY 100 9.706 30.514 58.625 107 GLY ATOM 1100 CA ILE 101 6.272 29.237 59.462 108 LYS ATOM 1101 CA ILE 102 5.394 25.621 58.752 109 ILE ATOM 1102 CA VAL 103 2.696 25.730 56.073 110 SER ATOM 1103 CA ASP 104 2.350 22.099 55.184 111 GLU ATOM 1104 CA VAL 105 3.704 18.743 56.251 112 ILE ATOM 1105 CA LYS 106 4.755 16.676 53.205 113 THR ATOM 1106 CA PRO 107 4.588 13.889 55.791 114 GLN TER 97 152.040 2 3mcaA2 ATOM 2001 CA ALA 1 33.082 9.043 0.461 3 VAL ATOM 2002 CA ASP 2 29.522 9.208 -0.816 4 ARG ATOM 2003 CA GLU 3 30.498 8.432 -4.442 5 SER ATOM 2004 CA PHE 4 33.386 7.355 -6.689 6 PHE ATOM 2005 CA THR 5 34.378 6.769 -10.319 7 VAL ATOM 2006 CA ALA 6 34.954 3.220 -11.572 8 ALA ATOM 2007 CA ARG 7 35.904 1.226 -14.630 9 GLU ATOM 2008 CA ILE 8 33.448 -1.643 -14.503 10 ILE ATOM 2009 CA ILE 9 33.230 -4.423 -16.979 11 GLN ATOM 2010 CA VAL 10 29.997 -6.216 -17.609 12 THR ATOM 2011 CA VAL 11 29.194 -9.945 -17.955 13 PHE ATOM 2012 CA TRP 12 26.275 -11.981 -19.297 14 ASP ATOM 2013 CA HIS 13 23.336 -9.945 -18.102 15 ILE ATOM 2014 CA PRO 14 19.592 -10.049 -18.780 16 HIS ATOM 2015 CA THR 15 18.281 -6.503 -18.931 17 GLY ATOM 2016 CA ALA 16 20.921 -3.833 -19.362 18 PRO ATOM 2017 CA LEU 17 22.135 -1.581 -16.555 19 ILE ATOM 2018 CA ALA 18 20.332 1.763 -16.930 20 LEU ATOM 2019 CA ASN 19 21.909 5.076 -15.880 21 SER ATOM 2020 CA GLY 20 20.378 5.442 -12.422 22 GLY ATOM 2021 CA TYR 21 20.101 1.733 -11.642 23 SER ATOM 2022 CA THR 22 20.237 0.449 -8.067 24 THR ATOM 2023 CA PRO 23 22.748 -2.395 -7.609 25 LEU ATOM 2024 CA VAL 24 24.358 -4.113 -4.616 26 VAL ATOM 2025 CA LEU 25 28.092 -3.436 -4.325 27 LEU ATOM 2026 CA HIS 26 30.251 -6.162 -2.700 28 HIS ATOM 2027 CA VAL 27 33.675 -5.065 -1.509 29 LEU ATOM 2028 CA HIS 28 35.094 -6.577 1.631 30 GLY ATOM 2029 CA THR 29 32.616 -7.516 4.302 31 ARG ATOM 2030 CA ALA 30 30.627 -4.490 3.114 32 THR ATOM 2031 CA SER 31 27.745 -5.222 0.781 33 VAL ATOM 2032 CA VAL 32 25.561 -2.139 0.241 34 THR ATOM 2033 CA ALA 33 23.022 -0.517 -2.089 35 SER ATOM 2034 CA CYS 34 24.299 1.832 -4.748 36 VAL ATOM 2035 CA ARG 35 23.171 3.698 -7.785 37 SER ATOM 2036 CA VAL 36 25.172 3.695 -10.936 38 LEU ATOM 2037 CA SER 37 25.241 6.638 -13.322 39 LYS ATOM 2038 CA GLU 38 26.783 6.121 -16.793 40 ILE ATOM 2039 CA VAL 40 29.714 8.281 -17.937 41 VAL ATOM 2040 CA GLN 49 30.635 6.311 -21.086 42 THR ATOM 2041 CA GLU 50 30.470 2.726 -22.414 43 VAL ATOM 2042 CA ALA 51 32.930 1.475 -25.076 44 ASN ATOM 2043 CA GLU 52 34.427 4.988 -24.935 45 ASN ATOM 2044 CA LYS 53 31.149 6.373 -26.365 46 LYS ATOM 2045 CA ASN 54 28.204 8.066 -24.618 47 ARG ATOM 2046 CA PRO 55 25.401 5.625 -23.893 48 SER ATOM 2047 CA GLN 56 21.937 5.288 -22.401 49 ARG ATOM 2048 CA PHE 57 22.326 1.590 -21.394 50 HIS ATOM 2049 CA LEU 58 25.129 -0.840 -20.633 51 ILE ATOM 2050 CA LYS 59 24.573 -4.295 -22.116 52 ALA ATOM 2051 CA GLN 60 26.491 -7.576 -21.811 53 SER ATOM 2052 CA GLY 61 30.252 -7.914 -22.379 54 ARG ATOM 2053 CA ASP 62 31.107 -4.220 -22.270 55 LYS ATOM 2054 CA VAL 63 33.580 -1.897 -20.556 56 ARG ATOM 2055 CA ALA 64 32.157 1.263 -18.906 57 ALA ATOM 2056 CA ILE 65 33.291 4.314 -16.992 58 LEU ATOM 2057 CA VAL 66 30.712 4.932 -14.306 59 VAL ATOM 2058 CA LYS 67 29.925 6.990 -11.222 60 ARG ATOM 2059 CA PHE 68 28.669 4.899 -8.321 61 ILE ATOM 2060 CA LYS 69 26.886 6.447 -5.353 62 SER ATOM 2061 CA PRO 70 26.151 4.835 -2.019 63 PHE ATOM 2062 CA ILE 71 23.316 4.293 2.625 65 ASP ATOM 2063 CA LYS 72 25.784 6.884 3.803 66 GLY ATOM 2064 CA PRO 73 29.494 7.395 3.650 67 LEU ATOM 2065 CA LEU 74 31.728 4.393 3.055 68 PHE ATOM 2066 CA CYS 75 35.505 4.135 3.307 69 PRO ATOM 2067 CA VAL 76 37.589 3.040 0.326 70 LEU ATOM 2068 CA GLU 77 40.683 3.308 -1.758 71 CYS ATOM 2069 CA LYS 78 41.609 3.438 -5.383 72 LEU ATOM 2070 CA TYR 79 42.519 0.038 -6.796 73 ALA ATOM 2071 CA ASN 80 45.857 1.697 -7.690 74 GLU ATOM 2072 CA GLU 81 46.653 2.203 -4.035 75 GLU ATOM 2073 CA PHE 82 45.215 -1.019 -2.676 76 CYS ATOM 2074 CA PRO 83 43.590 -3.798 -4.761 77 PRO ATOM 2075 CA PRO 84 41.608 -5.541 -1.987 78 ALA ATOM 2076 CA LEU 85 40.086 -2.206 -1.124 79 LEU ATOM 2077 CA GLY 86 39.419 -1.031 -4.684 80 GLY ATOM 2078 CA ARG 87 38.084 -4.144 -6.389 81 ARG ATOM 2079 CA PHE 88 34.330 -4.781 -6.052 82 PHE ATOM 2080 CA ALA 89 31.480 -6.748 -7.543 83 ILE ATOM 2081 CA MET 90 28.122 -5.455 -8.791 84 LEU ATOM 2082 CA ARG 91 24.890 -7.446 -8.517 85 ARG ATOM 2083 CA ASP 92 21.306 -6.760 -9.374 86 ARG ATOM 2084 CA MET 93 18.758 -9.027 -7.723 87 SER ATOM 2085 CA GLY 94 20.527 -12.327 -7.181 88 GLY ATOM 2086 CA LYS 95 22.673 -12.157 -10.348 89 ASP ATOM 2087 CA THR 96 26.164 -10.728 -10.541 90 THR ATOM 2088 CA VAL 97 26.298 -8.327 -13.463 91 VAL ATOM 2089 CA GLY 98 29.632 -6.524 -13.309 92 ALA ATOM 2090 CA VAL 99 32.967 -5.978 -11.585 93 ALA ATOM 2091 CA GLY 100 35.409 -3.076 -11.563 94 GLY ATOM 2092 CA ILE 101 38.159 -0.991 -9.989 95 ILE ATOM 2093 CA ILE 102 37.688 2.361 -8.254 96 VAL ATOM 2094 CA VAL 103 39.579 5.015 -10.187 97 LYS ATOM 2095 CA ASP 104 38.686 8.255 -8.389 98 GLU ATOM 2096 CA VAL 105 37.273 9.407 -5.082 99 LEU ATOM 2097 CA LYS 106 34.508 12.032 -4.733 100 CYS TER 97 165.850 3 1zunB3 ATOM 3001 CA ALA 1 25.618 87.278 39.796 3 SER ATOM 3002 CA ASP 2 29.409 86.824 39.708 4 ASP ATOM 3003 CA GLU 3 30.129 90.206 41.328 5 ALA ATOM 3004 CA PHE 4 29.103 91.478 44.775 6 PHE ATOM 3005 CA THR 5 30.083 93.711 47.701 7 ASP ATOM 3006 CA ALA 6 31.093 92.072 50.998 8 ALA ATOM 3007 CA ILE 8 35.753 90.701 55.009 9 LEU ATOM 3008 CA ILE 9 37.345 89.606 58.259 10 VAL ATOM 3009 CA VAL 10 40.898 88.809 57.200 11 TRP ATOM 3010 CA VAL 11 45.678 85.032 57.687 12 ALA ATOM 3011 CA HIS 13 49.236 86.076 58.605 13 GLU ATOM 3012 CA THR 15 49.776 86.659 54.871 14 GLU ATOM 3013 CA ALA 16 48.153 89.916 53.668 15 PRO ATOM 3014 CA ALA 18 46.139 91.324 47.710 16 LEU ATOM 3015 CA ASN 19 43.470 92.527 45.239 17 PRO ATOM 3016 CA GLY 20 43.759 90.642 41.943 18 GLY ATOM 3017 CA TYR 21 45.192 87.520 43.586 19 LYS ATOM 3018 CA THR 22 43.171 84.376 42.895 20 LYS ATOM 3019 CA PRO 23 41.468 82.776 45.880 21 TYR ATOM 3020 CA VAL 24 38.803 80.097 46.205 22 ASP ATOM 3021 CA LEU 25 35.395 81.238 47.427 23 ILE ATOM 3022 CA HIS 26 33.410 78.599 49.295 24 LYS ATOM 3023 CA VAL 27 30.003 80.070 50.003 25 ARG ATOM 3024 CA HIS 28 27.995 77.243 51.532 26 ALA ATOM 3025 CA THR 29 28.194 74.286 49.152 27 THR ATOM 3026 CA ALA 30 28.950 76.666 46.267 28 SER ATOM 3027 CA SER 31 32.660 76.509 45.460 29 TYR ATOM 3028 CA VAL 32 33.920 79.057 42.928 30 VAL ATOM 3029 CA ALA 33 37.418 80.477 42.379 31 PRO ATOM 3030 CA CYS 34 37.757 84.258 42.073 32 GLY ATOM 3031 CA ARG 35 39.385 87.378 43.470 33 SER ATOM 3032 CA VAL 36 38.722 90.632 45.277 34 ILE ATOM 3033 CA SER 37 38.609 93.341 42.604 35 ALA ATOM 3034 CA GLU 38 39.059 96.244 45.041 36 SER ATOM 3035 CA LEU 39 38.893 97.240 48.710 37 ILE ATOM 3036 CA VAL 40 36.235 99.928 49.185 38 THR ATOM 3037 CA SER 41 37.504 100.679 52.691 39 HIS ATOM 3038 CA LYS 42 39.047 99.090 55.770 40 ARG ATOM 3039 CA LEU 43 37.176 99.472 59.056 41 VAL ATOM 3040 CA ASP 44 39.379 100.334 62.017 42 ASP ATOM 3041 CA PRO 45 38.014 97.893 64.607 43 VAL ATOM 3042 CA ARG 46 38.693 100.282 67.501 44 ASN ATOM 3043 CA THR 47 37.203 103.501 66.107 45 THR ATOM 3044 CA GLY 48 34.544 102.163 63.696 46 LEU ATOM 3045 CA GLN 49 35.313 104.496 60.769 47 GLU ATOM 3046 CA GLU 50 35.978 103.962 57.057 48 GLU ATOM 3047 CA ALA 51 39.489 104.221 55.612 49 GLY ATOM 3048 CA ASN 54 40.932 103.633 52.119 50 PRO ATOM 3049 CA PRO 55 43.271 100.648 51.735 51 ALA ATOM 3050 CA GLN 56 45.010 98.518 49.109 52 SER ATOM 3051 CA PHE 57 45.776 95.649 51.494 53 SER ATOM 3052 CA LEU 58 44.185 93.734 54.363 54 LEU ATOM 3053 CA LYS 59 46.341 92.508 57.243 55 GLN ATOM 3054 CA GLN 60 45.714 89.885 59.934 56 LEU ATOM 3055 CA GLY 61 42.620 90.658 62.065 57 ASN ATOM 3056 CA ASP 62 41.529 93.435 59.692 58 GLU ATOM 3057 CA VAL 63 37.999 94.073 58.425 59 ILE ATOM 3058 CA ALA 64 36.904 95.892 55.275 60 GLY ATOM 3059 CA ILE 65 34.332 96.306 52.530 61 ARG ATOM 3060 CA VAL 66 35.531 94.510 49.387 62 VAL ATOM 3061 CA LYS 67 34.417 94.135 45.770 63 LYS ATOM 3062 CA PHE 68 34.269 90.418 44.930 64 VAL ATOM 3063 CA LYS 69 34.550 88.851 41.476 65 SER ATOM 3064 CA PRO 70 33.914 85.187 40.636 66 LEU ATOM 3065 CA ILE 71 34.705 83.013 37.608 67 ASP ATOM 3066 CA LYS 72 31.036 81.956 37.451 68 ALA ATOM 3067 CA PRO 73 27.801 83.376 38.943 69 PRO ATOM 3068 CA LEU 74 26.195 82.192 42.192 70 ILE ATOM 3069 CA CYS 75 22.754 82.831 43.650 71 ALA ATOM 3070 CA VAL 76 23.200 85.345 46.466 72 LEU ATOM 3071 CA GLU 77 21.635 86.997 49.514 73 ASP ATOM 3072 CA LYS 78 22.793 89.760 51.823 74 GLY ATOM 3073 CA TYR 79 24.184 88.178 54.986 75 TYR ATOM 3074 CA ASN 80 21.702 90.374 56.901 76 SER ATOM 3075 CA GLU 81 18.857 88.667 55.016 77 SER ATOM 3076 CA PHE 82 20.338 85.155 55.200 78 ASN ATOM 3077 CA PRO 83 22.996 83.842 57.576 79 ARG ATOM 3078 CA PRO 84 23.858 80.898 55.289 80 THR ATOM 3079 CA LEU 85 23.593 82.105 51.675 81 THR ATOM 3080 CA GLY 86 25.170 85.454 52.605 82 GLY ATOM 3081 CA ARG 87 28.137 83.834 54.358 83 ALA ATOM 3082 CA PHE 88 31.343 82.585 52.742 84 PHE ATOM 3083 CA ALA 89 34.971 81.681 53.422 85 ILE ATOM 3084 CA MET 90 38.037 82.658 51.389 86 VAL ATOM 3085 CA ARG 91 40.447 79.785 50.676 87 ILE ATOM 3086 CA ASP 92 44.086 80.070 49.556 88 ASP ATOM 3087 CA MET 93 44.688 77.996 46.414 89 ARG ATOM 3088 CA GLY 94 44.597 75.288 51.400 92 ASN ATOM 3089 CA LYS 95 44.146 77.505 54.481 93 GLY ATOM 3090 CA THR 96 40.982 79.383 55.401 94 THR ATOM 3091 CA VAL 97 42.221 82.947 55.220 95 VAL ATOM 3092 CA GLY 98 39.095 85.121 55.547 96 ALA ATOM 3093 CA VAL 99 35.467 85.164 56.658 97 ALA ATOM 3094 CA GLY 100 33.115 86.892 54.228 98 GLY ATOM 3095 CA ILE 101 27.731 89.559 51.362 99 ILE ATOM 3096 CA ILE 102 26.156 93.038 51.262 100 ILE ATOM 3097 CA VAL 103 22.968 93.173 49.159 101 ALA TER 88 134.710 4 3mmpA2 ATOM 4001 CA ALA 1 15.396 -2.229 -15.691 99 HIS ATOM 4002 CA ASP 2 17.076 1.177 -15.889 100 THR ATOM 4003 CA GLU 3 15.144 3.155 -13.301 101 LYS ATOM 4004 CA PHE 4 14.233 2.258 -9.740 102 PHE ATOM 4005 CA THR 5 13.403 3.669 -6.321 103 GLU ATOM 4006 CA ALA 6 15.898 2.723 -3.626 104 SER ATOM 4007 CA ARG 7 16.601 2.979 0.095 105 GLU ATOM 4008 CA ILE 8 20.242 4.006 0.464 106 VAL ATOM 4009 CA ILE 9 22.763 4.214 3.290 107 TYR ATOM 4010 CA VAL 10 25.774 6.458 2.781 108 ILE ATOM 4011 CA VAL 11 28.864 5.390 4.711 109 LEU ATOM 4012 CA TRP 12 30.352 7.743 7.287 110 SER ATOM 4013 CA HIS 13 33.964 8.900 7.087 111 LYS ATOM 4014 CA PRO 14 34.980 6.465 9.848 112 ASP ATOM 4015 CA THR 15 32.232 15.663 2.260 118 THR ATOM 4016 CA ALA 16 28.516 15.832 1.339 119 PRO ATOM 4017 CA LEU 17 27.085 15.568 -2.146 120 PHE ATOM 4018 CA ALA 18 24.122 17.269 -3.807 121 PHE ATOM 4019 CA ASN 19 21.607 17.014 -6.654 122 LYS ATOM 4020 CA GLY 20 23.775 15.839 -9.545 123 GLY ATOM 4021 CA TYR 21 25.750 13.110 -7.755 124 TYR ATOM 4022 CA THR 22 27.000 10.500 -10.214 125 ARG ATOM 4023 CA PRO 23 28.759 7.460 -8.713 126 PRO ATOM 4024 CA VAL 24 29.000 3.818 -9.817 127 GLN ATOM 4025 CA LEU 25 26.249 1.376 -8.805 128 PHE ATOM 4026 CA HIS 26 27.541 -2.181 -8.290 129 TYR ATOM 4027 CA VAL 27 25.080 -4.948 -9.190 130 PHE ATOM 4028 CA HIS 28 26.342 -8.499 -8.539 131 ARG ATOM 4029 CA THR 29 29.475 -8.458 -10.744 132 THR ATOM 4030 CA ALA 30 29.903 -5.010 -12.286 133 THR ATOM 4031 CA SER 31 29.793 -1.211 -11.809 134 ASP ATOM 4032 CA VAL 32 27.075 0.648 -13.681 135 VAL ATOM 4033 CA ALA 33 26.963 4.419 -14.027 136 THR ATOM 4034 CA CYS 34 23.822 6.204 -12.884 137 GLY ATOM 4035 CA ARG 35 22.211 9.509 -11.986 138 THR ATOM 4036 CA VAL 36 20.074 10.091 -8.879 139 ILE ATOM 4037 CA SER 37 16.998 12.176 -8.097 140 GLU ATOM 4038 CA GLU 38 16.776 13.297 -4.476 141 LEU ATOM 4039 CA GLU 52 13.468 13.354 -2.583 142 PRO ATOM 4040 CA LYS 53 11.454 16.586 -2.541 143 GLU ATOM 4041 CA ASN 54 13.055 19.063 -0.163 144 GLY ATOM 4042 CA PRO 55 16.349 17.226 0.247 145 VAL ATOM 4043 CA GLN 56 19.283 19.224 -1.095 146 GLU ATOM 4044 CA PHE 57 22.322 17.864 0.725 147 MET ATOM 4045 CA LEU 58 23.419 14.338 1.675 148 VAL ATOM 4046 CA LYS 59 26.029 13.846 4.386 149 MET ATOM 4047 CA GLN 60 28.166 10.808 5.115 150 PRO ATOM 4048 CA GLY 61 26.225 8.520 7.491 151 GLY ATOM 4049 CA ASP 62 22.790 9.470 6.105 152 ASP ATOM 4050 CA VAL 63 19.845 7.237 5.313 153 ASN ATOM 4051 CA ALA 64 18.130 8.459 2.165 154 ILE ATOM 4052 CA ILE 65 15.759 7.375 -0.580 155 LYS ATOM 4053 CA VAL 66 16.882 7.920 -4.116 156 MET ATOM 4054 CA LYS 67 15.416 7.344 -7.554 157 VAL ATOM 4055 CA PHE 68 18.242 5.980 -9.673 158 VAL ATOM 4056 CA LYS 69 18.554 5.953 -13.459 159 THR ATOM 4057 CA PRO 70 21.226 3.687 -14.961 160 LEU ATOM 4058 CA ILE 71 23.165 4.249 -18.199 161 ILE ATOM 4059 CA LYS 72 22.020 0.794 -19.321 162 HIS ATOM 4060 CA PRO 73 19.525 -1.804 -18.031 163 PRO ATOM 4061 CA LEU 74 20.299 -4.402 -15.372 164 ILE ATOM 4062 CA CYS 75 18.432 -7.558 -14.358 165 ALA ATOM 4063 CA VAL 76 16.839 -6.674 -11.019 166 MET ATOM 4064 CA GLU 77 13.765 -6.938 -8.856 167 ASP ATOM 4065 CA LYS 78 12.584 -5.547 -5.506 168 ASP ATOM 4066 CA TYR 79 14.995 -6.506 -2.737 169 GLY ATOM 4067 CA GLY 86 18.174 -6.556 -4.819 170 LEU ATOM 4068 CA ARG 87 21.037 -5.077 -2.783 171 ARG ATOM 4069 CA PHE 88 23.723 -2.962 -4.449 172 PHE ATOM 4070 CA ALA 89 26.874 -1.036 -3.499 173 ALA ATOM 4071 CA MET 90 27.625 2.585 -4.358 174 ILE ATOM 4072 CA ARG 91 31.187 3.158 -5.492 175 ARG ATOM 4073 CA ASP 92 33.733 5.843 -6.330 176 GLU ATOM 4074 CA MET 93 36.629 4.405 -8.317 177 GLY ATOM 4075 CA GLY 94 36.384 0.960 -6.735 178 GLY ATOM 4076 CA LYS 95 36.001 2.298 -3.211 179 ARG ATOM 4077 CA THR 96 32.664 1.495 -1.559 180 THR ATOM 4078 CA VAL 97 30.969 4.620 -0.156 181 VAL ATOM 4079 CA GLY 98 27.402 3.408 0.219 182 GLY ATOM 4080 CA VAL 99 24.854 0.620 -0.019 183 ALA ATOM 4081 CA GLY 100 21.341 0.305 -1.379 184 GLY ATOM 4082 CA ILE 101 18.237 -1.847 -1.670 185 VAL ATOM 4083 CA ILE 102 15.980 -1.740 -4.729 186 VAL ATOM 4084 CA VAL 103 12.555 -0.801 -3.383 187 ALA ATOM 4085 CA ASP 104 10.497 -0.413 -6.539 188 LYS ATOM 4086 CA VAL 105 11.173 -0.951 -10.231 189 VAL ATOM 4087 CA LYS 106 10.132 1.994 -12.417 190 LEU ATOM 4088 CA PRO 107 10.613 3.707 -15.692 191 SER TER 97 173.170 5 1zunB ATOM 5001 CA ALA 1 25.618 87.278 39.796 284 SER ATOM 5002 CA ASP 2 29.409 86.824 39.708 285 ASP ATOM 5003 CA GLU 3 30.129 90.206 41.328 286 ALA ATOM 5004 CA PHE 4 29.103 91.478 44.775 287 PHE ATOM 5005 CA THR 5 30.083 93.711 47.701 288 ASP ATOM 5006 CA ALA 6 31.093 92.072 50.998 289 ALA ATOM 5007 CA ILE 8 35.753 90.701 55.009 290 LEU ATOM 5008 CA ILE 9 37.345 89.606 58.259 291 VAL ATOM 5009 CA VAL 10 40.898 88.809 57.200 292 TRP ATOM 5010 CA VAL 11 45.678 85.032 57.687 293 ALA ATOM 5011 CA PRO 14 49.236 86.076 58.605 294 GLU ATOM 5012 CA THR 15 49.776 86.659 54.871 295 GLU ATOM 5013 CA ALA 16 48.153 89.916 53.668 296 PRO ATOM 5014 CA LEU 17 46.139 91.324 47.710 297 LEU ATOM 5015 CA ASN 19 43.470 92.527 45.239 298 PRO ATOM 5016 CA GLY 20 43.759 90.642 41.943 299 GLY ATOM 5017 CA TYR 21 45.192 87.520 43.586 300 LYS ATOM 5018 CA THR 22 43.171 84.376 42.895 301 LYS ATOM 5019 CA PRO 23 41.468 82.776 45.880 302 TYR ATOM 5020 CA VAL 24 38.803 80.097 46.205 303 ASP ATOM 5021 CA LEU 25 35.395 81.238 47.427 304 ILE ATOM 5022 CA HIS 26 33.410 78.599 49.295 305 LYS ATOM 5023 CA VAL 27 30.003 80.070 50.003 306 ARG ATOM 5024 CA HIS 28 27.995 77.243 51.532 307 ALA ATOM 5025 CA THR 29 28.194 74.286 49.152 308 THR ATOM 5026 CA ALA 30 28.950 76.666 46.267 309 SER ATOM 5027 CA SER 31 32.660 76.509 45.460 310 TYR ATOM 5028 CA VAL 32 33.920 79.057 42.928 311 VAL ATOM 5029 CA ALA 33 37.418 80.477 42.379 312 PRO ATOM 5030 CA CYS 34 37.757 84.258 42.073 313 GLY ATOM 5031 CA ARG 35 39.385 87.378 43.470 314 SER ATOM 5032 CA VAL 36 38.722 90.632 45.277 315 ILE ATOM 5033 CA SER 37 38.609 93.341 42.604 316 ALA ATOM 5034 CA GLU 38 39.059 96.244 45.041 317 SER ATOM 5035 CA LEU 39 38.893 97.240 48.710 318 ILE ATOM 5036 CA VAL 40 36.235 99.928 49.185 319 THR ATOM 5037 CA SER 41 37.504 100.679 52.691 320 HIS ATOM 5038 CA LYS 42 39.047 99.090 55.770 321 ARG ATOM 5039 CA LEU 43 37.176 99.472 59.056 322 VAL ATOM 5040 CA ASP 44 39.379 100.334 62.017 323 ASP ATOM 5041 CA PRO 45 38.014 97.893 64.607 324 VAL ATOM 5042 CA ARG 46 38.693 100.282 67.501 325 ASN ATOM 5043 CA THR 47 37.203 103.501 66.107 326 THR ATOM 5044 CA GLY 48 34.544 102.163 63.696 327 LEU ATOM 5045 CA GLN 49 35.313 104.496 60.769 328 GLU ATOM 5046 CA GLU 50 35.978 103.962 57.057 329 GLU ATOM 5047 CA ALA 51 39.489 104.221 55.612 330 GLY ATOM 5048 CA ASN 54 40.932 103.633 52.119 331 PRO ATOM 5049 CA PRO 55 43.271 100.648 51.735 332 ALA ATOM 5050 CA GLN 56 45.010 98.518 49.109 333 SER ATOM 5051 CA PHE 57 45.776 95.649 51.494 334 SER ATOM 5052 CA LEU 58 44.185 93.734 54.363 335 LEU ATOM 5053 CA LYS 59 46.341 92.508 57.243 336 GLN ATOM 5054 CA GLN 60 45.714 89.885 59.934 337 LEU ATOM 5055 CA GLY 61 42.620 90.658 62.065 338 ASN ATOM 5056 CA ASP 62 41.529 93.435 59.692 339 GLU ATOM 5057 CA VAL 63 37.999 94.073 58.425 340 ILE ATOM 5058 CA ALA 64 36.904 95.892 55.275 341 GLY ATOM 5059 CA ILE 65 34.332 96.306 52.530 342 ARG ATOM 5060 CA VAL 66 35.531 94.510 49.387 343 VAL ATOM 5061 CA LYS 67 34.417 94.135 45.770 344 LYS ATOM 5062 CA PHE 68 34.269 90.418 44.930 345 VAL ATOM 5063 CA LYS 69 34.550 88.851 41.476 346 SER ATOM 5064 CA PRO 70 33.914 85.187 40.636 347 LEU ATOM 5065 CA ILE 71 34.705 83.013 37.608 348 ASP ATOM 5066 CA LYS 72 31.036 81.956 37.451 349 ALA ATOM 5067 CA PRO 73 27.801 83.376 38.943 350 PRO ATOM 5068 CA LEU 74 26.195 82.192 42.192 351 ILE ATOM 5069 CA CYS 75 22.754 82.831 43.650 352 ALA ATOM 5070 CA VAL 76 23.200 85.345 46.466 353 LEU ATOM 5071 CA GLU 77 21.635 86.997 49.514 354 ASP ATOM 5072 CA LYS 78 22.793 89.760 51.823 355 GLY ATOM 5073 CA TYR 79 24.184 88.178 54.986 356 TYR ATOM 5074 CA ASN 80 21.702 90.374 56.901 357 SER ATOM 5075 CA GLU 81 18.857 88.667 55.016 358 SER ATOM 5076 CA PHE 82 20.338 85.155 55.200 359 ASN ATOM 5077 CA PRO 83 22.996 83.842 57.576 360 ARG ATOM 5078 CA PRO 84 23.858 80.898 55.289 361 THR ATOM 5079 CA LEU 85 23.593 82.105 51.675 362 THR ATOM 5080 CA GLY 86 25.170 85.454 52.605 363 GLY ATOM 5081 CA ARG 87 28.137 83.834 54.358 364 ALA ATOM 5082 CA PHE 88 31.343 82.585 52.742 365 PHE ATOM 5083 CA ALA 89 34.971 81.681 53.422 366 ILE ATOM 5084 CA MET 90 38.037 82.658 51.389 367 VAL ATOM 5085 CA ARG 91 40.447 79.785 50.676 368 ILE ATOM 5086 CA ASP 92 44.086 80.070 49.556 369 ASP ATOM 5087 CA MET 93 44.688 77.996 46.414 370 ARG ATOM 5088 CA GLY 94 44.597 75.288 51.400 373 ASN ATOM 5089 CA LYS 95 44.146 77.505 54.481 374 GLY ATOM 5090 CA THR 96 40.982 79.383 55.401 375 THR ATOM 5091 CA VAL 97 42.221 82.947 55.220 376 VAL ATOM 5092 CA GLY 98 39.095 85.121 55.547 377 ALA ATOM 5093 CA VAL 99 35.467 85.164 56.658 378 ALA ATOM 5094 CA GLY 100 33.115 86.892 54.228 379 GLY ATOM 5095 CA ILE 101 27.731 89.559 51.362 380 ILE ATOM 5096 CA ILE 102 26.156 93.038 51.262 381 ILE ATOM 5097 CA VAL 103 22.968 93.173 49.159 382 ALA TER