5 106 (N_temp, Lch) 101 152.100 1 4dohR2 ATOM 1001 CA LEU 4 -6.804 8.469 12.988 1 ILE ATOM 1002 CA THR 5 -9.274 10.607 14.844 2 GLY ATOM 1003 CA VAL 6 -9.453 11.617 18.514 3 PRO ATOM 1004 CA GLY 7 -10.976 9.369 21.132 4 PRO ATOM 1005 CA SER 8 -13.882 11.092 22.814 5 GLU ATOM 1006 CA VAL 9 -12.874 12.226 26.312 6 VAL ATOM 1007 CA ASN 10 -15.081 12.057 29.421 7 ALA ATOM 1008 CA LEU 11 -13.976 13.850 32.601 8 LEU ATOM 1009 CA GLU 12 -15.353 13.117 36.056 9 THR ATOM 1010 CA ILE 13 -14.099 14.702 39.274 10 THR ATOM 1011 CA HIS 14 -13.071 14.364 42.896 11 ASP ATOM 1012 CA ASN 15 -11.469 17.005 45.156 12 GLU ATOM 1013 CA GLY 16 -7.959 15.608 44.650 13 LYS ATOM 1014 CA PHE 17 -8.553 13.452 41.573 14 SER ATOM 1015 CA ILE 18 -9.806 13.738 37.976 15 ILE ATOM 1016 CA LEU 19 -10.671 10.614 36.020 16 SER ATOM 1017 CA GLY 20 -10.264 10.643 32.283 17 VAL ATOM 1018 CA LYS 21 -12.061 7.993 30.297 18 VAL ATOM 1019 CA ILE 22 -11.497 7.821 26.569 19 LEU ATOM 1020 CA GLN 23 -13.483 5.612 24.254 20 THR ATOM 1021 CA LEU 24 -11.450 4.647 21.188 21 ALA ATOM 1022 CA PRO 25 -12.239 6.269 17.864 22 PRO ATOM 1023 CA ARG 26 -14.759 4.240 15.847 23 GLU ATOM 1024 CA PRO 27 -14.120 3.017 12.294 24 LYS ATOM 1025 CA LYS 28 -16.501 4.217 9.584 25 TRP ATOM 1026 CA MET 29 -19.627 2.069 9.872 26 LYS ATOM 1027 CA ALA 30 -27.173 -0.790 12.302 30 GLU ATOM 1028 CA PRO 31 -23.756 -2.412 11.971 31 ASP ATOM 1029 CA ALA 32 -21.352 -3.673 14.607 32 LEU ATOM 1030 CA GLN 33 -19.248 -0.693 15.781 33 PRO ATOM 1031 CA ASP 34 -15.476 -1.079 15.225 34 VAL ATOM 1032 CA THR 35 -12.636 0.261 17.348 35 SER ATOM 1033 CA TYR 36 -9.879 1.777 15.247 36 MET ATOM 1034 CA GLU 37 -7.840 -0.001 17.936 37 GLN ATOM 1035 CA SER 38 -8.770 -3.300 16.278 38 GLN ATOM 1036 CA ILE 39 -7.425 -2.117 12.926 39 ILE ATOM 1037 CA PHE 40 -4.364 -0.623 14.602 40 TYR ATOM 1038 CA SER 41 -3.687 -2.830 17.614 41 SER ATOM 1039 CA HIS 42 -0.795 -0.550 18.587 42 ASN ATOM 1040 CA PHE 43 -2.975 2.593 18.678 43 LEU ATOM 1041 CA GLU 45 -1.816 4.873 21.502 44 LYS ATOM 1042 CA TYR 46 -3.225 8.127 22.937 45 TYR ATOM 1043 CA GLU 47 -1.200 11.186 23.793 46 ASN ATOM 1044 CA ILE 48 -2.715 12.934 26.803 47 VAL ATOM 1045 CA ALA 49 -2.057 16.609 27.535 48 SER ATOM 1046 CA ILE 50 -2.938 18.161 30.922 49 VAL ATOM 1047 CA ARG 51 -2.904 21.947 31.380 50 LEU ATOM 1048 CA LYS 52 -3.294 23.563 34.789 51 ASN ATOM 1049 CA VAL 53 -4.975 26.895 33.984 52 THR ATOM 1050 CA PRO 54 -4.055 28.281 37.427 53 LYS ATOM 1051 CA GLY 55 -0.284 27.939 36.827 54 SER ATOM 1052 CA GLN 56 -0.076 27.835 33.026 55 ASN ATOM 1053 CA PHE 57 1.811 24.611 33.727 56 ARG ATOM 1054 CA THR 58 1.320 21.664 31.360 57 THR ATOM 1055 CA PHE 59 2.563 18.127 30.793 58 TRP ATOM 1056 CA THR 60 2.052 15.302 28.314 59 SER ATOM 1057 CA LYS 62 1.945 11.540 28.604 60 GLN ATOM 1058 CA LYS 63 1.265 8.515 26.375 61 CYS ATOM 1059 CA VAL 64 -1.175 5.766 27.374 62 VAL ATOM 1060 CA LYS 65 -2.992 2.776 25.932 63 THR ATOM 1061 CA HIS 66 -5.452 1.993 28.736 64 ASN ATOM 1062 CA GLU 67 -8.856 3.637 28.052 65 HIS ATOM 1063 CA GLN 68 -8.916 5.075 31.593 66 THR ATOM 1064 CA PHE 69 -6.523 7.406 33.386 67 LEU ATOM 1065 CA SER 70 -6.776 8.790 36.945 68 VAL ATOM 1066 CA LEU 71 -5.136 12.138 37.539 69 LEU ATOM 1067 CA LEU 72 -4.461 12.229 41.251 70 THR ATOM 1068 CA THR 73 -3.155 14.629 43.919 71 TRP ATOM 1069 CA SER 74 -4.446 17.817 42.258 72 LEU ATOM 1070 CA GLY 75 -4.850 21.344 43.596 73 GLU ATOM 1071 CA GLU 76 -8.480 21.935 44.764 74 PRO ATOM 1072 CA VAL 77 -10.903 24.354 43.036 75 ASN ATOM 1073 CA GLY 78 -8.412 24.396 40.192 76 THR ATOM 1074 CA GLU 79 -9.558 24.125 36.585 77 LEU ATOM 1075 CA PHE 80 -7.621 21.593 34.492 78 TYR ATOM 1076 CA CYS 81 -7.799 21.306 30.672 79 CYS ATOM 1077 CA VAL 82 -7.285 17.889 29.079 80 VAL ATOM 1078 CA GLN 83 -6.888 17.138 25.393 81 HIS ATOM 1079 CA VAL 84 -6.105 13.868 23.653 82 VAL ATOM 1080 CA LYS 85 -4.610 13.049 20.286 83 GLU ATOM 1081 CA PRO 86 -4.573 9.568 18.741 84 SER ATOM 1082 CA SER 87 -1.437 8.156 17.190 85 PHE ATOM 1083 CA VAL 88 -0.437 4.943 15.429 86 VAL ATOM 1084 CA ALA 89 3.296 4.521 15.247 87 PRO ATOM 1085 CA SER 90 4.343 3.907 11.644 88 GLY ATOM 1086 CA ARG 91 4.273 5.999 8.479 89 PRO ATOM 1087 CA SER 92 3.665 9.670 9.340 90 PRO ATOM 1088 CA ASN 93 -0.003 10.669 8.865 91 ARG ATOM 1089 CA LYS 94 -2.019 13.823 8.750 92 ARG ATOM 1090 CA GLY 95 -2.781 14.671 12.369 93 ALA ATOM 1091 CA MET 96 -6.179 15.620 13.669 94 GLN ATOM 1092 CA TRP 97 -7.335 18.230 16.205 95 PRO ATOM 1093 CA SER 98 -7.272 16.616 19.630 96 SER ATOM 1094 CA LYS 99 -10.431 16.743 21.706 97 GLU ATOM 1095 CA GLU 100 -10.353 19.433 24.361 98 LYS ATOM 1096 CA GLU 101 -12.339 19.081 27.592 99 GLN ATOM 1097 CA CYS 102 -12.178 20.903 30.935 100 CYS ATOM 1098 CA ILE 103 -12.906 20.120 34.552 101 ALA ATOM 1099 CA SER 104 -12.518 21.838 37.872 102 ARG ATOM 1100 CA LEU 105 -11.527 19.943 40.998 103 THR ATOM 1101 CA THR 106 -13.820 20.229 44.004 104 LEU TER 104 143.890 2 3lqmA ATOM 2001 CA GLU 1 52.582 16.013 41.873 91 ASP ATOM 2002 CA VAL 2 52.025 19.695 41.014 92 THR ATOM 2003 CA THR 3 48.598 20.970 41.980 93 ILE ATOM 2004 CA LEU 4 46.520 22.131 39.016 94 ILE ATOM 2005 CA THR 5 44.903 25.351 40.214 95 GLY ATOM 2006 CA VAL 6 41.487 26.676 39.096 96 PRO ATOM 2007 CA GLY 7 41.164 28.139 35.613 97 PRO ATOM 2008 CA SER 8 40.092 31.750 35.312 98 GLY ATOM 2009 CA VAL 9 36.602 32.505 34.011 99 MET ATOM 2010 CA ASN 10 34.722 35.395 32.440 100 GLN ATOM 2011 CA LEU 11 30.923 35.076 32.365 101 VAL ATOM 2012 CA GLU 12 28.579 37.290 30.338 102 GLU ATOM 2013 CA ILE 13 24.785 37.282 30.210 103 VAL ATOM 2014 CA HIS 14 23.146 37.495 26.791 104 LEU ATOM 2015 CA ASN 15 19.355 37.528 26.937 105 ALA ATOM 2016 CA GLY 16 18.330 34.408 28.890 106 ASP ATOM 2017 CA PHE 17 21.737 32.841 28.440 107 CYS ATOM 2018 CA ILE 18 25.121 32.536 30.182 108 LEU ATOM 2019 CA LEU 19 28.240 32.758 28.011 109 HIS ATOM 2020 CA GLY 20 31.662 31.904 29.404 110 MET ATOM 2021 CA LYS 21 35.333 31.989 28.386 111 ARG ATOM 2022 CA ILE 22 37.888 29.944 30.366 112 PHE ATOM 2023 CA GLN 23 41.453 31.055 31.141 113 LEU ATOM 2024 CA LEU 24 43.976 28.217 31.398 114 ALA ATOM 2025 CA PRO 25 46.243 28.659 34.447 115 PRO ATOM 2026 CA ARG 26 49.487 30.299 33.346 116 LYS ATOM 2027 CA PRO 27 53.054 29.085 33.900 117 ILE ATOM 2028 CA LYS 28 55.780 31.741 34.111 118 GLU ATOM 2029 CA MET 29 59.095 30.119 33.198 119 ASN ATOM 2030 CA ALA 30 60.842 33.511 32.908 120 GLU ATOM 2031 CA PRO 31 61.508 32.661 29.249 121 TYR ATOM 2032 CA ALA 32 58.246 31.575 27.628 122 GLU ATOM 2033 CA GLN 33 54.608 32.278 28.452 123 THR ATOM 2034 CA ASP 34 53.056 28.822 28.711 124 TRP ATOM 2035 CA THR 35 49.751 27.565 30.110 125 THR ATOM 2036 CA TYR 36 48.614 24.096 31.179 126 MET ATOM 2037 CA GLU 37 47.618 23.512 27.535 127 LYS ATOM 2038 CA SER 38 51.251 23.656 26.397 128 ASN ATOM 2039 CA ILE 39 52.207 21.037 28.979 129 VAL ATOM 2040 CA PHE 40 49.280 18.596 28.830 130 TYR ATOM 2041 CA SER 41 48.092 17.548 25.366 131 ASN ATOM 2042 CA HIS 42 44.704 16.217 26.507 132 SER ATOM 2043 CA PHE 43 43.867 19.258 28.605 133 TRP ATOM 2044 CA GLU 45 40.132 19.830 28.907 134 THR ATOM 2045 CA TYR 46 37.627 21.731 30.998 135 TYR ATOM 2046 CA GLU 47 34.830 20.488 33.225 136 ASN ATOM 2047 CA ILE 48 31.967 22.845 33.983 137 VAL ATOM 2048 CA ALA 49 29.415 22.421 36.722 138 GLN ATOM 2049 CA ILE 50 26.439 24.689 37.362 139 TYR ATOM 2050 CA ARG 51 23.180 24.897 39.257 140 TRP ATOM 2051 CA LYS 52 20.228 27.170 39.899 141 LYS ATOM 2052 CA VAL 53 21.028 29.214 42.996 142 GLN ATOM 2053 CA PRO 54 19.307 27.607 45.955 143 GLY ATOM 2054 CA GLY 55 18.655 24.186 44.431 144 THR ATOM 2055 CA GLN 56 20.945 21.197 45.032 145 ASP ATOM 2056 CA PHE 57 21.028 19.477 41.640 146 GLU ATOM 2057 CA THR 58 24.370 20.102 39.921 147 LYS ATOM 2058 CA PHE 59 24.705 19.595 36.179 148 PHE ATOM 2059 CA THR 60 27.962 18.491 34.537 149 GLN ATOM 2060 CA LYS 62 29.210 19.513 31.079 150 ILE ATOM 2061 CA LYS 63 32.508 19.148 29.235 151 THR ATOM 2062 CA VAL 64 33.150 21.966 26.732 152 PRO ATOM 2063 CA LYS 65 34.938 21.088 23.487 153 GLN ATOM 2064 CA HIS 66 37.051 24.249 23.587 154 TYR ATOM 2065 CA GLU 67 37.849 27.092 25.998 155 ASP ATOM 2066 CA GLN 68 34.328 28.546 26.160 156 PHE ATOM 2067 CA PHE 69 30.780 27.450 26.828 157 GLU ATOM 2068 CA SER 70 27.214 28.598 26.287 158 VAL ATOM 2069 CA LEU 71 24.472 27.477 28.639 159 LEU ATOM 2070 CA LEU 72 21.329 27.534 26.531 160 ARG ATOM 2071 CA THR 73 17.745 26.668 27.447 161 ASN ATOM 2072 CA SER 74 18.012 28.411 30.846 162 LEU ATOM 2073 CA GLY 75 15.108 30.186 32.556 163 GLU ATOM 2074 CA GLU 76 14.888 33.993 32.228 164 PRO ATOM 2075 CA VAL 77 15.575 36.311 35.176 165 TRP ATOM 2076 CA GLY 78 16.957 33.279 37.040 166 THR ATOM 2077 CA GLU 79 20.214 33.056 39.011 167 THR ATOM 2078 CA PHE 80 22.643 30.261 38.226 168 TYR ATOM 2079 CA CYS 81 26.027 29.459 39.734 169 CYS ATOM 2080 CA VAL 82 28.886 28.075 37.653 170 VAL ATOM 2081 CA GLN 83 32.294 26.523 38.368 171 GLN ATOM 2082 CA VAL 84 35.066 25.294 36.112 172 VAL ATOM 2083 CA LYS 85 38.154 23.114 36.536 173 ARG ATOM 2084 CA PRO 86 40.831 21.630 34.339 174 GLY ATOM 2085 CA SER 87 40.834 17.882 33.696 175 PHE ATOM 2086 CA VAL 88 43.326 15.459 32.141 176 LEU ATOM 2087 CA ALA 89 41.383 12.478 30.653 177 PRO ATOM 2088 CA SER 90 44.582 10.581 29.850 178 ASP ATOM 2089 CA ARG 91 45.688 10.652 33.516 179 ARG ATOM 2090 CA SER 92 42.310 10.973 35.238 180 ASN ATOM 2091 CA ASN 93 43.803 14.028 37.008 181 LYS ATOM 2092 CA LYS 94 41.296 16.714 38.050 182 ALA ATOM 2093 CA GLY 95 42.314 20.273 38.876 183 GLY ATOM 2094 CA MET 96 40.771 22.420 41.610 184 GLU ATOM 2095 CA TRP 97 37.298 23.922 41.027 185 TRP ATOM 2096 CA SER 98 37.072 27.695 40.655 186 SER ATOM 2097 CA LYS 99 34.994 29.465 43.336 187 GLU ATOM 2098 CA GLU 100 31.369 29.709 42.072 188 PRO ATOM 2099 CA GLU 101 30.263 32.668 40.004 189 VAL ATOM 2100 CA CYS 102 26.543 33.336 40.150 190 CYS ATOM 2101 CA ILE 103 24.793 35.415 37.501 191 GLU ATOM 2102 CA SER 104 21.165 36.182 36.741 192 GLN ATOM 2103 CA LEU 105 19.960 35.579 33.208 193 THR ATOM 2104 CA THR 106 17.951 38.476 31.778 194 THR TER 101 137.610 3 3lqmA2 ATOM 3001 CA LEU 4 46.520 22.131 39.016 1 ILE ATOM 3002 CA THR 5 44.903 25.351 40.214 2 GLY ATOM 3003 CA VAL 6 41.487 26.676 39.096 3 PRO ATOM 3004 CA GLY 7 41.164 28.139 35.613 4 PRO ATOM 3005 CA SER 8 40.092 31.750 35.312 5 GLY ATOM 3006 CA VAL 9 36.602 32.505 34.011 6 MET ATOM 3007 CA ASN 10 34.722 35.395 32.440 7 GLN ATOM 3008 CA LEU 11 30.923 35.076 32.365 8 VAL ATOM 3009 CA GLU 12 28.579 37.290 30.338 9 GLU ATOM 3010 CA ILE 13 24.785 37.282 30.210 10 VAL ATOM 3011 CA HIS 14 23.146 37.495 26.791 11 LEU ATOM 3012 CA ASN 15 19.355 37.528 26.937 12 ALA ATOM 3013 CA GLY 16 18.330 34.408 28.890 13 ASP ATOM 3014 CA PHE 17 21.737 32.841 28.440 14 CYS ATOM 3015 CA ILE 18 25.121 32.536 30.182 15 LEU ATOM 3016 CA LEU 19 28.240 32.758 28.011 16 HIS ATOM 3017 CA GLY 20 31.662 31.904 29.404 17 MET ATOM 3018 CA LYS 21 35.333 31.989 28.386 18 ARG ATOM 3019 CA ILE 22 37.888 29.944 30.366 19 PHE ATOM 3020 CA GLN 23 41.453 31.055 31.141 20 LEU ATOM 3021 CA LEU 24 43.976 28.217 31.398 21 ALA ATOM 3022 CA PRO 25 46.243 28.659 34.447 22 PRO ATOM 3023 CA ARG 26 49.487 30.299 33.346 23 LYS ATOM 3024 CA PRO 27 53.054 29.085 33.900 24 ILE ATOM 3025 CA LYS 28 55.780 31.741 34.111 25 GLU ATOM 3026 CA MET 29 59.095 30.119 33.198 26 ASN ATOM 3027 CA ALA 30 60.842 33.511 32.908 27 GLU ATOM 3028 CA PRO 31 61.508 32.661 29.249 28 TYR ATOM 3029 CA ALA 32 58.246 31.575 27.628 29 GLU ATOM 3030 CA GLN 33 54.608 32.278 28.452 30 THR ATOM 3031 CA ASP 34 53.056 28.822 28.711 31 TRP ATOM 3032 CA THR 35 49.751 27.565 30.110 32 THR ATOM 3033 CA TYR 36 48.614 24.096 31.179 33 MET ATOM 3034 CA GLU 37 47.618 23.512 27.535 34 LYS ATOM 3035 CA SER 38 51.251 23.656 26.397 35 ASN ATOM 3036 CA ILE 39 52.207 21.037 28.979 36 VAL ATOM 3037 CA PHE 40 49.280 18.596 28.830 37 TYR ATOM 3038 CA SER 41 48.092 17.548 25.366 38 ASN ATOM 3039 CA HIS 42 44.704 16.217 26.507 39 SER ATOM 3040 CA PHE 43 43.867 19.258 28.605 40 TRP ATOM 3041 CA GLU 45 40.132 19.830 28.907 41 THR ATOM 3042 CA TYR 46 37.627 21.731 30.998 42 TYR ATOM 3043 CA GLU 47 34.830 20.488 33.225 43 ASN ATOM 3044 CA ILE 48 31.967 22.845 33.983 44 VAL ATOM 3045 CA ALA 49 29.415 22.421 36.722 45 GLN ATOM 3046 CA ILE 50 26.439 24.689 37.362 46 TYR ATOM 3047 CA ARG 51 23.180 24.897 39.257 47 TRP ATOM 3048 CA LYS 52 20.228 27.170 39.899 48 LYS ATOM 3049 CA VAL 53 21.028 29.214 42.996 49 GLN ATOM 3050 CA PRO 54 19.307 27.607 45.955 50 GLY ATOM 3051 CA GLY 55 18.655 24.186 44.431 51 THR ATOM 3052 CA GLN 56 20.945 21.197 45.032 52 ASP ATOM 3053 CA PHE 57 21.028 19.477 41.640 53 GLU ATOM 3054 CA THR 58 24.370 20.102 39.921 54 LYS ATOM 3055 CA PHE 59 24.705 19.595 36.179 55 PHE ATOM 3056 CA THR 60 27.962 18.491 34.537 56 GLN ATOM 3057 CA LYS 62 29.210 19.513 31.079 57 ILE ATOM 3058 CA LYS 63 32.508 19.148 29.235 58 THR ATOM 3059 CA VAL 64 33.150 21.966 26.732 59 PRO ATOM 3060 CA LYS 65 34.938 21.088 23.487 60 GLN ATOM 3061 CA HIS 66 37.051 24.249 23.587 61 TYR ATOM 3062 CA GLU 67 37.849 27.092 25.998 62 ASP ATOM 3063 CA GLN 68 34.328 28.546 26.160 63 PHE ATOM 3064 CA PHE 69 30.780 27.450 26.828 64 GLU ATOM 3065 CA SER 70 27.214 28.598 26.287 65 VAL ATOM 3066 CA LEU 71 24.472 27.477 28.639 66 LEU ATOM 3067 CA LEU 72 21.329 27.534 26.531 67 ARG ATOM 3068 CA THR 73 17.745 26.668 27.447 68 ASN ATOM 3069 CA SER 74 18.012 28.411 30.846 69 LEU ATOM 3070 CA GLY 75 15.108 30.186 32.556 70 GLU ATOM 3071 CA GLU 76 14.888 33.993 32.228 71 PRO ATOM 3072 CA VAL 77 15.575 36.311 35.176 72 TRP ATOM 3073 CA GLY 78 16.957 33.279 37.040 73 THR ATOM 3074 CA GLU 79 20.214 33.056 39.011 74 THR ATOM 3075 CA PHE 80 22.643 30.261 38.226 75 TYR ATOM 3076 CA CYS 81 26.027 29.459 39.734 76 CYS ATOM 3077 CA VAL 82 28.886 28.075 37.653 77 VAL ATOM 3078 CA GLN 83 32.294 26.523 38.368 78 GLN ATOM 3079 CA VAL 84 35.066 25.294 36.112 79 VAL ATOM 3080 CA LYS 85 38.154 23.114 36.536 80 ARG ATOM 3081 CA PRO 86 40.831 21.630 34.339 81 GLY ATOM 3082 CA SER 87 40.834 17.882 33.696 82 PHE ATOM 3083 CA VAL 88 43.326 15.459 32.141 83 LEU ATOM 3084 CA ALA 89 41.383 12.478 30.653 84 PRO ATOM 3085 CA SER 90 44.582 10.581 29.850 85 ASP ATOM 3086 CA ARG 91 45.688 10.652 33.516 86 ARG ATOM 3087 CA SER 92 42.310 10.973 35.238 87 ASN ATOM 3088 CA ASN 93 43.803 14.028 37.008 88 LYS ATOM 3089 CA LYS 94 41.296 16.714 38.050 89 ALA ATOM 3090 CA GLY 95 42.314 20.273 38.876 90 GLY ATOM 3091 CA MET 96 40.771 22.420 41.610 91 GLU ATOM 3092 CA TRP 97 37.298 23.922 41.027 92 TRP ATOM 3093 CA SER 98 37.072 27.695 40.655 93 SER ATOM 3094 CA LYS 99 34.994 29.465 43.336 94 GLU ATOM 3095 CA GLU 100 31.369 29.709 42.072 95 PRO ATOM 3096 CA GLU 101 30.263 32.668 40.004 96 VAL ATOM 3097 CA CYS 102 26.543 33.336 40.150 97 CYS ATOM 3098 CA ILE 103 24.793 35.415 37.501 98 GLU ATOM 3099 CA SER 104 21.165 36.182 36.741 99 GLN ATOM 3100 CA LEU 105 19.960 35.579 33.208 100 THR ATOM 3101 CA THR 106 17.951 38.476 31.778 101 THR TER 99 156.170 4 3dgcS2 ATOM 4001 CA LEU 4 51.285 24.203 12.066 1 LEU ATOM 4002 CA THR 5 53.004 27.544 11.480 2 LYS ATOM 4003 CA VAL 6 52.306 30.303 14.008 3 PRO ATOM 4004 CA GLY 7 48.972 32.114 13.511 4 PRO ATOM 4005 CA SER 8 49.127 35.211 11.319 5 ASP ATOM 4006 CA VAL 9 47.910 37.933 13.675 6 VAL ATOM 4007 CA ASN 10 47.582 41.699 13.744 7 THR ATOM 4008 CA LEU 11 47.392 43.331 17.172 8 CYS ATOM 4009 CA GLU 12 45.684 46.709 17.379 9 ILE ATOM 4010 CA ILE 13 46.207 48.690 20.566 10 SER ATOM 4011 CA HIS 14 43.729 51.110 22.106 11 LYS ATOM 4012 CA ASN 15 43.569 53.286 25.207 12 VAL ATOM 4013 CA GLY 16 42.408 50.681 27.717 13 ARG ATOM 4014 CA PHE 17 42.267 47.508 25.647 14 SER ATOM 4015 CA ILE 18 44.281 45.444 23.184 15 ILE ATOM 4016 CA LEU 19 42.633 44.004 20.086 16 GLN ATOM 4017 CA GLY 20 43.840 40.940 18.188 17 MET ATOM 4018 CA LYS 21 42.594 39.977 14.738 18 ILE ATOM 4019 CA ILE 22 43.362 36.457 13.520 19 VAL ATOM 4020 CA GLN 23 43.754 36.371 9.743 20 HIS ATOM 4021 CA LEU 24 42.550 33.320 7.758 21 PRO ATOM 4022 CA PRO 25 45.480 31.062 6.909 22 THR ATOM 4023 CA ARG 26 45.333 29.659 3.352 23 PRO ATOM 4024 CA PRO 27 46.778 26.215 2.598 24 THR ATOM 4025 CA LYS 28 47.649 24.565 -0.721 25 PRO ATOM 4026 CA MET 29 44.700 22.192 -0.280 26 ILE ATOM 4027 CA ALA 30 42.174 22.837 -3.071 27 ARG ATOM 4028 CA PRO 31 38.481 21.992 -2.669 28 ALA ATOM 4029 CA ALA 32 39.383 27.497 -3.846 32 HIS ATOM 4030 CA GLN 33 42.214 27.251 -1.317 33 ARG ATOM 4031 CA ASP 34 41.039 25.753 1.982 34 LEU ATOM 4032 CA THR 35 42.087 27.333 5.267 35 THR ATOM 4033 CA TYR 36 43.191 25.543 8.422 36 LEU ATOM 4034 CA GLU 37 39.756 26.298 9.825 37 GLU ATOM 4035 CA SER 38 38.126 24.641 6.798 38 ASP ATOM 4036 CA ILE 39 40.192 21.505 7.393 39 ILE ATOM 4037 CA PHE 40 40.173 21.243 11.194 40 PHE ATOM 4038 CA SER 41 36.587 21.828 12.323 41 HIS ATOM 4039 CA PHE 43 37.447 21.789 16.024 42 ASP ATOM 4040 CA ARG 44 40.346 24.219 15.621 43 LEU ATOM 4041 CA GLU 45 40.382 27.021 18.194 44 PHE ATOM 4042 CA TYR 46 42.723 29.790 19.323 45 TYR ATOM 4043 CA GLU 47 44.366 30.327 22.685 46 HIS ATOM 4044 CA ILE 48 45.257 33.947 23.398 47 LEU ATOM 4045 CA ALA 49 47.208 35.477 26.248 48 GLU ATOM 4046 CA ILE 50 48.037 39.020 27.248 49 LEU ATOM 4047 CA ARG 51 50.954 39.231 29.653 50 GLN ATOM 4048 CA LYS 52 50.819 42.067 32.166 51 VAL ATOM 4049 CA VAL 53 53.386 41.536 34.928 52 ASN ATOM 4050 CA PRO 54 55.289 38.276 35.538 53 ARG ATOM 4051 CA GLY 55 52.655 37.157 38.055 54 THR ATOM 4052 CA GLN 56 49.519 38.141 36.106 55 TYR ATOM 4053 CA THR 58 48.345 37.019 32.657 56 GLN ATOM 4054 CA PHE 59 45.004 37.414 30.871 57 MET ATOM 4055 CA THR 60 43.607 34.732 28.593 58 HIS ATOM 4056 CA LYS 62 40.895 34.318 25.954 59 LEU ATOM 4057 CA LYS 63 39.993 31.459 23.630 60 GLY ATOM 4058 CA VAL 64 37.567 30.541 20.902 61 GLY ATOM 4059 CA LYS 65 36.904 29.851 17.244 62 LYS ATOM 4060 CA HIS 66 36.173 33.437 16.179 63 GLN ATOM 4061 CA GLU 67 38.836 35.702 14.656 64 ARG ATOM 4062 CA GLN 68 38.530 38.874 16.717 65 GLU ATOM 4063 CA PHE 69 39.421 39.229 20.404 66 TYR ATOM 4064 CA SER 70 39.739 42.232 22.676 67 GLU ATOM 4065 CA LEU 71 41.229 42.266 26.181 68 PHE ATOM 4066 CA LEU 72 39.565 44.917 28.350 69 PHE ATOM 4067 CA THR 73 40.458 46.581 31.650 70 GLY ATOM 4068 CA SER 74 43.906 47.806 30.625 71 LEU ATOM 4069 CA GLY 75 45.664 50.884 31.938 72 THR ATOM 4070 CA GLU 76 46.587 53.492 29.273 73 PRO ATOM 4071 CA VAL 77 50.090 54.097 27.898 74 ASP ATOM 4072 CA GLY 78 51.297 50.668 29.098 75 THR ATOM 4073 CA GLU 79 53.203 47.757 27.550 76 GLU ATOM 4074 CA PHE 80 51.788 44.267 27.155 77 PHE ATOM 4075 CA CYS 81 52.975 41.017 25.597 78 LEU ATOM 4076 CA VAL 82 50.414 39.305 23.388 79 GLY ATOM 4077 CA GLN 83 50.596 35.603 22.510 80 THR ATOM 4078 CA VAL 84 48.307 33.580 20.222 81 ILE ATOM 4079 CA LYS 85 48.531 29.909 19.258 82 MET ATOM 4080 CA PRO 86 46.469 27.537 17.139 83 ILE ATOM 4081 CA SER 87 44.992 24.461 18.801 84 CYS ATOM 4082 CA VAL 88 43.375 21.455 17.165 85 VAL ATOM 4083 CA ALA 89 42.494 18.839 19.868 86 PRO ATOM 4084 CA SER 90 41.378 16.123 17.457 87 THR ATOM 4085 CA ARG 91 44.936 15.694 16.195 88 TRP ATOM 4086 CA SER 92 46.588 17.030 19.317 89 ALA ATOM 4087 CA ASN 93 48.290 19.689 17.191 90 LYS ATOM 4088 CA LYS 94 49.630 22.888 18.679 91 GLU ATOM 4089 CA GLY 95 51.348 25.750 16.909 92 SER ATOM 4090 CA MET 96 54.375 27.700 17.964 93 ALA ATOM 4091 CA TRP 97 53.011 30.939 19.462 94 PRO ATOM 4092 CA SER 98 52.642 34.181 17.533 95 TYR ATOM 4093 CA GLU 100 53.807 37.027 19.745 96 MET ATOM 4094 CA GLU 101 53.056 40.721 19.448 97 CYS ATOM 4095 CA CYS 102 54.485 43.126 22.003 98 ARG ATOM 4096 CA ILE 103 52.127 46.121 22.168 99 VAL ATOM 4097 CA SER 104 51.470 49.260 24.189 100 LYS ATOM 4098 CA LEU 105 48.122 50.890 24.943 101 THR ATOM 4099 CA THR 106 47.604 54.441 23.711 102 LEU TER 104 150.130 5 4dohR ATOM 5001 CA GLU 1 -2.820 7.347 4.759 96 GLU ATOM 5002 CA VAL 2 -6.017 7.601 6.820 97 THR ATOM 5003 CA THR 3 -6.101 10.112 9.669 98 GLN ATOM 5004 CA LEU 4 -6.804 8.469 12.988 99 ILE ATOM 5005 CA THR 5 -9.274 10.607 14.844 100 GLY ATOM 5006 CA VAL 6 -9.453 11.617 18.514 101 PRO ATOM 5007 CA GLY 7 -10.976 9.369 21.132 102 PRO ATOM 5008 CA SER 8 -13.882 11.092 22.814 103 GLU ATOM 5009 CA VAL 9 -12.874 12.226 26.312 104 VAL ATOM 5010 CA ASN 10 -15.081 12.057 29.421 105 ALA ATOM 5011 CA LEU 11 -13.976 13.850 32.601 106 LEU ATOM 5012 CA GLU 12 -15.353 13.117 36.056 107 THR ATOM 5013 CA ILE 13 -14.099 14.702 39.274 108 THR ATOM 5014 CA HIS 14 -13.071 14.364 42.896 109 ASP ATOM 5015 CA ASN 15 -11.469 17.005 45.156 110 GLU ATOM 5016 CA GLY 16 -7.959 15.608 44.650 111 LYS ATOM 5017 CA PHE 17 -8.553 13.452 41.573 112 SER ATOM 5018 CA ILE 18 -9.806 13.738 37.976 113 ILE ATOM 5019 CA LEU 19 -10.671 10.614 36.020 114 SER ATOM 5020 CA GLY 20 -10.264 10.643 32.283 115 VAL ATOM 5021 CA LYS 21 -12.061 7.993 30.297 116 VAL ATOM 5022 CA ILE 22 -11.497 7.821 26.569 117 LEU ATOM 5023 CA GLN 23 -13.483 5.612 24.254 118 THR ATOM 5024 CA LEU 24 -11.450 4.647 21.188 119 ALA ATOM 5025 CA PRO 25 -12.239 6.269 17.864 120 PRO ATOM 5026 CA ARG 26 -14.759 4.240 15.847 121 GLU ATOM 5027 CA PRO 27 -14.120 3.017 12.294 122 LYS ATOM 5028 CA LYS 28 -16.501 4.217 9.584 123 TRP ATOM 5029 CA MET 29 -19.627 2.069 9.872 124 LYS ATOM 5030 CA ALA 30 -24.591 -0.170 7.666 126 ASN ATOM 5031 CA PRO 31 -26.198 2.214 10.197 127 PRO ATOM 5032 CA ALA 32 -21.352 -3.673 14.607 130 LEU ATOM 5033 CA GLN 33 -19.248 -0.693 15.781 131 PRO ATOM 5034 CA ASP 34 -15.476 -1.079 15.225 132 VAL ATOM 5035 CA THR 35 -12.636 0.261 17.348 133 SER ATOM 5036 CA TYR 36 -9.879 1.777 15.247 134 MET ATOM 5037 CA GLU 37 -7.840 -0.001 17.936 135 GLN ATOM 5038 CA SER 38 -8.770 -3.300 16.278 136 GLN ATOM 5039 CA ILE 39 -7.425 -2.117 12.926 137 ILE ATOM 5040 CA PHE 40 -4.364 -0.623 14.602 138 TYR ATOM 5041 CA SER 41 -3.687 -2.830 17.614 139 SER ATOM 5042 CA HIS 42 -0.795 -0.550 18.587 140 ASN ATOM 5043 CA PHE 43 -2.975 2.593 18.678 141 LEU ATOM 5044 CA GLU 45 -1.816 4.873 21.502 142 LYS ATOM 5045 CA TYR 46 -3.225 8.127 22.937 143 TYR ATOM 5046 CA GLU 47 -1.200 11.186 23.793 144 ASN ATOM 5047 CA ILE 48 -2.715 12.934 26.803 145 VAL ATOM 5048 CA ALA 49 -2.057 16.609 27.535 146 SER ATOM 5049 CA ILE 50 -2.938 18.161 30.922 147 VAL ATOM 5050 CA ARG 51 -2.904 21.947 31.380 148 LEU ATOM 5051 CA LYS 52 -3.294 23.563 34.789 149 ASN ATOM 5052 CA VAL 53 -4.975 26.895 33.984 150 THR ATOM 5053 CA PRO 54 -4.055 28.281 37.427 151 LYS ATOM 5054 CA GLY 55 -0.284 27.939 36.827 152 SER ATOM 5055 CA GLN 56 -0.076 27.835 33.026 153 ASN ATOM 5056 CA PHE 57 1.811 24.611 33.727 154 ARG ATOM 5057 CA THR 58 1.320 21.664 31.360 155 THR ATOM 5058 CA PHE 59 2.563 18.127 30.793 156 TRP ATOM 5059 CA THR 60 2.052 15.302 28.314 157 SER ATOM 5060 CA LYS 62 1.945 11.540 28.604 158 GLN ATOM 5061 CA LYS 63 1.265 8.515 26.375 159 CYS ATOM 5062 CA VAL 64 -1.175 5.766 27.374 160 VAL ATOM 5063 CA LYS 65 -2.992 2.776 25.932 161 THR ATOM 5064 CA HIS 66 -5.452 1.993 28.736 162 ASN ATOM 5065 CA GLU 67 -8.856 3.637 28.052 163 HIS ATOM 5066 CA GLN 68 -8.916 5.075 31.593 164 THR ATOM 5067 CA PHE 69 -6.523 7.406 33.386 165 LEU ATOM 5068 CA SER 70 -6.776 8.790 36.945 166 VAL ATOM 5069 CA LEU 71 -5.136 12.138 37.539 167 LEU ATOM 5070 CA LEU 72 -4.461 12.229 41.251 168 THR ATOM 5071 CA THR 73 -3.155 14.629 43.919 169 TRP ATOM 5072 CA SER 74 -4.446 17.817 42.258 170 LEU ATOM 5073 CA GLY 75 -4.850 21.344 43.596 171 GLU ATOM 5074 CA GLU 76 -8.480 21.935 44.764 172 PRO ATOM 5075 CA VAL 77 -10.903 24.354 43.036 173 ASN ATOM 5076 CA GLY 78 -8.412 24.396 40.192 174 THR ATOM 5077 CA GLU 79 -9.558 24.125 36.585 175 LEU ATOM 5078 CA PHE 80 -7.621 21.593 34.492 176 TYR ATOM 5079 CA CYS 81 -7.799 21.306 30.672 177 CYS ATOM 5080 CA VAL 82 -7.285 17.889 29.079 178 VAL ATOM 5081 CA GLN 83 -6.888 17.138 25.393 179 HIS ATOM 5082 CA VAL 84 -6.105 13.868 23.653 180 VAL ATOM 5083 CA LYS 85 -4.610 13.049 20.286 181 GLU ATOM 5084 CA PRO 86 -4.573 9.568 18.741 182 SER ATOM 5085 CA SER 87 -1.437 8.156 17.190 183 PHE ATOM 5086 CA VAL 88 -0.437 4.943 15.429 184 VAL ATOM 5087 CA ALA 89 3.296 4.521 15.247 185 PRO ATOM 5088 CA SER 90 4.343 3.907 11.644 186 GLY ATOM 5089 CA ARG 91 4.273 5.999 8.479 187 PRO ATOM 5090 CA SER 92 3.665 9.670 9.340 188 PRO ATOM 5091 CA ASN 93 -0.003 10.669 8.865 189 ARG ATOM 5092 CA LYS 94 -2.019 13.823 8.750 190 ARG ATOM 5093 CA GLY 95 -2.781 14.671 12.369 191 ALA ATOM 5094 CA MET 96 -6.179 15.620 13.669 192 GLN ATOM 5095 CA TRP 97 -7.335 18.230 16.205 193 PRO ATOM 5096 CA SER 98 -7.272 16.616 19.630 194 SER ATOM 5097 CA LYS 99 -10.431 16.743 21.706 195 GLU ATOM 5098 CA GLU 100 -10.353 19.433 24.361 196 LYS ATOM 5099 CA GLU 101 -12.339 19.081 27.592 197 GLN ATOM 5100 CA CYS 102 -12.178 20.903 30.935 198 CYS ATOM 5101 CA ILE 103 -12.906 20.120 34.552 199 ALA ATOM 5102 CA SER 104 -12.518 21.838 37.872 200 ARG ATOM 5103 CA LEU 105 -11.527 19.943 40.998 201 THR ATOM 5104 CA THR 106 -13.820 20.229 44.004 202 LEU TER