3 110 (N_temp, Lch) 101 109.340 1 5vx6A ATOM 1001 CA GLU 1 21.149 22.627 196.799 101 TYR ATOM 1002 CA PRO 2 19.276 19.372 196.321 102 VAL ATOM 1003 CA ARG 3 21.324 16.298 197.211 103 ARG ATOM 1004 CA PHE 4 21.137 12.850 195.641 104 THR ATOM 1005 CA GLU 5 22.851 9.579 196.544 105 ASP ATOM 1006 CA LEU 6 25.010 8.832 193.509 106 ALA ATOM 1007 CA ASN 7 28.175 6.746 193.164 107 VAL ATOM 1008 CA LEU 8 30.260 8.944 190.855 108 LEU ATOM 1009 CA ALA 9 33.942 8.915 189.933 109 ASP ATOM 1010 CA GLY 10 35.830 11.504 192.001 110 VAL ATOM 1011 CA LYS 11 39.538 12.306 191.642 111 GLN ATOM 1012 CA VAL 12 41.070 14.152 194.599 112 ILE ATOM 1013 CA LEU 13 44.472 15.775 194.173 113 GLN ATOM 1014 CA PHE 14 46.148 18.313 196.525 114 PRO ATOM 1015 CA ASP 15 50.999 14.253 196.859 115 GLU ATOM 1016 CA GLU 16 49.816 11.822 194.181 116 GLU ATOM 1017 CA ARG 18 46.229 11.552 192.925 117 GLU ATOM 1018 CA GLY 19 43.372 9.636 194.560 118 ILE ATOM 1019 CA ASP 20 40.649 8.184 192.330 119 ARG ATOM 1020 CA CYS 21 37.652 7.309 194.509 120 THR ATOM 1021 CA GLU 22 33.842 7.269 194.562 121 LEU ATOM 1022 CA LEU 23 31.195 9.531 196.047 122 SER ATOM 1023 CA ARG 24 28.206 8.305 198.039 123 TYR ATOM 1024 CA ASP 25 26.057 11.439 197.804 124 ASN ATOM 1025 CA LEU 26 26.382 14.607 195.732 125 ILE ATOM 1026 CA SER 27 24.934 18.104 195.472 126 SER ATOM 1027 CA ARG 28 25.386 21.171 193.308 127 ALA ATOM 1028 CA SER 29 27.166 22.870 196.221 128 GLY ATOM 1029 CA GLY 30 28.900 20.011 198.004 129 GLY ATOM 1030 CA CYS 31 29.972 16.384 197.773 130 ILE ATOM 1031 CA ARG 32 30.495 13.440 200.123 131 ALA ATOM 1032 CA PHE 33 33.164 10.874 199.256 132 VAL ATOM 1033 CA ILE 34 34.388 7.560 200.673 133 VAL ATOM 1034 CA THR 35 38.034 7.553 201.741 134 LEU ATOM 1035 CA PRO 36 40.431 4.633 201.899 135 ALA ATOM 1036 CA PRO 37 42.518 3.894 204.972 136 ASP ATOM 1037 CA LEU 38 45.738 5.880 205.304 137 GLY ATOM 1038 CA LYS 40 44.500 9.010 203.526 138 LEU ATOM 1039 CA THR 41 45.297 11.903 205.866 139 SER ATOM 1040 CA TYR 42 43.357 15.112 205.286 140 PHE ATOM 1041 CA GLN 43 42.022 17.886 207.509 141 GLN ATOM 1042 CA VAL 44 38.814 19.847 208.083 142 SER ATOM 1043 CA GLY 45 39.424 23.133 206.260 143 GLY ATOM 1044 CA ASP 46 42.019 21.910 203.765 144 GLU ATOM 1045 CA LEU 47 41.315 23.099 200.224 145 SER ATOM 1046 CA VAL 48 41.399 20.244 197.709 146 LEU ATOM 1047 CA ALA 49 40.987 20.057 193.941 147 ARG ATOM 1048 CA LEU 50 38.652 17.244 192.903 148 LEU ATOM 1049 CA GLU 51 37.355 16.205 189.482 149 ILE ATOM 1050 CA ILE 52 33.834 14.772 189.198 150 ILE ATOM 1051 CA PHE 53 32.742 12.537 186.313 151 ARG ATOM 1052 CA SER 54 29.103 13.555 185.873 152 LEU ATOM 1053 CA ASP 55 27.387 11.160 183.436 153 PRO ATOM 1054 CA LEU 56 24.686 13.338 181.903 154 GLU ATOM 1055 CA ARG 57 23.457 10.469 179.660 155 GLU ATOM 1056 CA GLY 58 25.757 9.420 176.782 156 GLU ATOM 1057 CA THR 59 27.812 12.621 177.010 157 HIS ATOM 1058 CA LYS 60 30.025 12.105 180.066 158 THR ATOM 1059 CA THR 61 30.617 15.554 181.562 159 ARG ATOM 1060 CA PHE 62 33.848 16.088 183.507 160 GLN ATOM 1061 CA PRO 63 33.379 18.686 186.264 161 ILE ATOM 1062 CA PRO 64 36.582 20.080 187.783 162 GLU ATOM 1063 CA LEU 65 36.175 22.083 190.997 163 THR ATOM 1064 CA THR 66 38.078 23.087 194.097 164 GLU ATOM 1065 CA GLY 67 36.460 22.281 197.437 165 ALA ATOM 1066 CA LYS 68 37.253 22.644 201.138 166 VAL ATOM 1067 CA ILE 69 36.992 19.650 203.466 167 VAL ATOM 1068 CA CYS 70 33.932 19.974 205.697 168 ARG ATOM 1069 CA ASN 71 34.212 16.919 207.932 169 ARG ATOM 1070 CA LEU 72 35.785 13.459 208.097 170 ILE ATOM 1071 CA GLN 73 34.172 10.639 210.060 171 PHE ATOM 1072 CA ARG 74 34.006 6.855 210.300 172 ASN ATOM 1073 CA SER 75 30.879 5.134 208.996 173 ASP ATOM 1074 CA LEU 76 29.543 2.870 211.787 174 PRO ATOM 1075 CA HIS 77 34.163 1.209 209.345 177 GLU ATOM 1076 CA HIS 78 35.416 3.100 206.271 178 LYS ATOM 1077 CA ALA 79 36.287 6.788 206.281 179 ARG ATOM 1078 CA ARG 80 33.812 9.221 204.747 180 LYS ATOM 1079 CA TYR 81 34.511 12.840 203.885 181 MET ATOM 1080 CA GLY 82 32.423 15.826 202.809 182 THR ATOM 1081 CA LEU 83 33.512 18.890 200.837 183 LEU ATOM 1082 CA GLU 84 31.976 22.214 199.787 184 GLU ATOM 1083 CA PHE 85 32.727 23.627 196.328 185 TYR ATOM 1084 CA ASN 86 35.164 26.505 196.778 186 SER ATOM 1085 CA GLU 87 34.961 27.372 193.071 187 GLU ATOM 1086 CA GLU 88 32.833 25.738 190.368 188 ILE ATOM 1087 CA GLY 89 32.030 26.922 186.853 189 ALA ATOM 1088 CA ARG 90 28.536 28.298 186.299 190 ALA ATOM 1089 CA ASN 91 28.053 25.940 183.360 191 GLY ATOM 1090 CA ASN 92 29.143 22.829 185.254 192 ASP ATOM 1091 CA ALA 93 27.240 23.784 188.412 193 GLN ATOM 1092 CA LYS 94 23.961 24.296 186.546 194 GLN ATOM 1093 CA ASN 95 24.352 20.917 184.837 195 ALA ATOM 1094 CA LEU 96 25.190 19.338 188.195 196 LEU ATOM 1095 CA LEU 97 22.091 21.062 189.586 197 LEU ATOM 1096 CA ALA 98 19.673 19.762 186.942 198 GLN ATOM 1097 CA GLN 99 21.283 16.330 187.335 199 TYR ATOM 1098 CA LEU 100 20.494 16.039 191.049 200 CYS ATOM 1099 CA LYS 101 16.885 17.174 190.566 201 ILE ATOM 1100 CA PHE 102 16.098 14.820 187.678 202 ARG ATOM 1101 CA ASN 103 17.848 11.934 189.437 203 ARG TER 98 95.710 2 1ywuA ATOM 2001 CA GLU 1 6.563 9.848 -18.393 11 PHE ATOM 2002 CA PRO 2 3.934 12.571 -18.147 12 HIS ATOM 2003 CA ARG 3 1.462 9.729 -17.853 13 ARG ATOM 2004 CA PHE 4 0.985 7.442 -14.873 14 ILE ATOM 2005 CA GLU 5 2.233 4.121 -16.195 15 ALA ATOM 2006 CA LEU 6 5.452 2.612 -14.904 16 PHE ATOM 2007 CA ASN 7 7.393 -0.532 -15.707 17 ASP ATOM 2008 CA LEU 8 6.381 -2.299 -12.518 18 ALA ATOM 2009 CA ALA 9 5.099 -5.768 -11.667 19 ASP ATOM 2010 CA GLY 10 1.451 -5.160 -10.899 20 SER ATOM 2011 CA LYS 11 -0.162 -7.963 -8.939 21 GLU ATOM 2012 CA VAL 12 -3.783 -7.644 -7.942 22 ILE ATOM 2013 CA LEU 13 -4.405 -10.312 -5.363 23 LEU ATOM 2014 CA PHE 14 -6.746 -11.226 -2.565 24 GLN ATOM 2015 CA ASP 15 -4.678 -13.078 0.005 25 GLY ATOM 2016 CA GLU 16 -4.673 -16.534 -1.555 26 GLU ATOM 2017 CA HIS 17 -5.502 -15.618 -5.155 27 ARG ATOM 2018 CA ARG 18 -3.058 -13.649 -7.320 28 ARG ATOM 2019 CA GLY 19 -3.757 -12.007 -10.675 29 TRP ATOM 2020 CA ASP 20 -0.845 -10.373 -12.478 30 GLU ATOM 2021 CA CYS 21 -2.108 -7.378 -14.452 31 VAL ATOM 2022 CA GLU 22 -0.871 -4.479 -16.592 32 LEU ATOM 2023 CA LEU 23 -1.206 -0.989 -15.121 33 LEU ATOM 2024 CA ARG 24 -2.684 1.733 -17.347 34 HIS ATOM 2025 CA ASP 25 -3.004 4.633 -14.888 35 ASP ATOM 2026 CA LEU 26 -3.029 4.911 -11.090 36 VAL ATOM 2027 CA SER 27 -4.021 7.813 -8.851 37 SER ATOM 2028 CA ARG 28 -5.106 8.842 -5.353 38 LEU ATOM 2029 CA SER 29 -8.782 8.186 -6.095 39 HIS ATOM 2030 CA GLY 30 -8.506 4.984 -8.073 40 GLY ATOM 2031 CA CYS 31 -6.599 2.876 -10.560 41 ILE ATOM 2032 CA ARG 32 -7.383 1.687 -14.074 42 LEU ATOM 2033 CA PHE 33 -5.873 -1.628 -15.115 43 VAL ATOM 2034 CA ILE 34 -6.393 -3.767 -18.182 44 GLY ATOM 2035 CA THR 35 -7.134 -7.451 -17.832 45 GLN ATOM 2036 CA PRO 36 -7.136 -9.585 -21.005 46 PRO ATOM 2037 CA PRO 37 -8.623 -12.262 -18.760 47 GLN ATOM 2038 CA LEU 38 -11.706 -11.930 -16.569 48 ASP ATOM 2039 CA LYS 40 -11.563 -13.274 -13.019 49 TRP ATOM 2040 CA THR 41 -14.685 -13.227 -10.840 50 ASN ATOM 2041 CA TYR 42 -15.793 -9.633 -11.057 51 GLY ATOM 2042 CA GLN 43 -17.327 -8.756 -7.748 52 ASP ATOM 2043 CA VAL 44 -17.273 -5.162 -6.409 53 PRO ATOM 2044 CA GLY 45 -18.085 -6.574 -2.969 54 GLN ATOM 2045 CA ASP 46 -14.678 -8.213 -3.049 55 ARG ATOM 2046 CA LEU 47 -11.842 -5.843 -2.056 56 PRO ATOM 2047 CA VAL 48 -8.626 -6.255 -4.018 57 PHE ATOM 2048 CA ALA 49 -4.945 -5.715 -3.239 58 GLU ATOM 2049 CA LEU 50 -2.755 -3.770 -5.634 59 ALA ATOM 2050 CA GLU 51 0.922 -4.510 -5.170 60 ARG ATOM 2051 CA ILE 52 3.238 -2.554 -7.438 61 LEU ATOM 2052 CA PHE 53 6.809 -3.799 -7.596 62 TYR ATOM 2053 CA SER 54 8.662 -0.768 -8.905 63 LEU ATOM 2054 CA ASP 55 11.717 -2.623 -7.781 64 GLY ATOM 2055 CA LEU 56 12.725 -5.412 -5.429 65 LEU ATOM 2056 CA GLY 58 13.554 -2.804 -2.791 66 ASP ATOM 2057 CA THR 59 10.926 -0.347 -4.041 67 VAL ATOM 2058 CA PHE 62 7.476 -1.657 -3.188 68 LEU ATOM 2059 CA PRO 63 4.308 0.368 -3.643 69 ILE ATOM 2060 CA PRO 64 1.198 -1.007 -1.931 70 ARG ATOM 2061 CA LEU 65 -2.451 0.037 -1.826 71 MET ATOM 2062 CA THR 66 -5.698 -1.567 -0.664 72 GLU ATOM 2063 CA GLY 67 -8.450 -0.996 -3.214 73 ILE ATOM 2064 CA LYS 68 -11.916 -2.200 -4.162 74 SER ATOM 2065 CA ILE 69 -13.334 -3.083 -7.558 75 LEU ATOM 2066 CA CYS 70 -15.512 -0.160 -8.609 76 ALA ATOM 2067 CA ASN 71 -16.303 -1.221 -12.171 77 TRP ATOM 2068 CA LEU 72 -15.136 -3.739 -14.763 78 ALA ATOM 2069 CA GLN 73 -15.992 -2.887 -18.359 79 ARG ATOM 2070 CA ARG 74 -14.601 -4.157 -21.698 80 ASP ATOM 2071 CA ALA 79 -11.383 -5.389 -20.134 81 GLY ATOM 2072 CA ARG 80 -10.800 -2.116 -18.331 82 LEU ATOM 2073 CA TYR 81 -11.136 -2.417 -14.589 83 LEU ATOM 2074 CA GLY 82 -11.387 0.741 -12.560 84 GLY ATOM 2075 CA LEU 83 -10.719 0.255 -8.884 85 PHE ATOM 2076 CA GLU 84 -11.383 2.758 -6.134 86 GLU ATOM 2077 CA PHE 85 -8.636 3.539 -3.646 87 CYS ATOM 2078 CA ASN 86 -9.380 2.801 0.003 88 GLN ATOM 2079 CA GLU 87 -6.056 2.676 1.801 89 HIS ATOM 2080 CA GLU 88 -2.827 3.741 0.155 90 ILE ATOM 2081 CA GLY 89 0.085 3.480 2.578 91 ASP ATOM 2082 CA ARG 90 1.818 6.734 3.533 92 LEU ATOM 2083 CA ASN 91 5.234 5.477 2.453 93 ASP ATOM 2084 CA ASN 92 3.592 4.051 -0.654 94 SER ATOM 2085 CA ALA 93 2.198 7.510 -1.489 95 ILE ATOM 2086 CA LYS 94 5.614 8.951 -0.681 96 SER ATOM 2087 CA ASN 95 7.153 6.742 -3.392 97 HIS ATOM 2088 CA LEU 96 4.348 7.376 -5.884 98 LEU ATOM 2089 CA LEU 97 4.331 11.167 -5.549 99 ARG ATOM 2090 CA ALA 98 8.139 11.315 -5.490 100 ARG ATOM 2091 CA GLN 99 8.265 9.403 -8.779 101 LEU ATOM 2092 CA LEU 100 5.746 11.803 -10.337 102 VAL ATOM 2093 CA LYS 101 7.718 14.766 -8.980 103 GLU ATOM 2094 CA PHE 102 10.981 13.280 -10.258 104 LEU ATOM 2095 CA ASN 103 9.649 12.891 -13.802 105 ASN ATOM 2096 CA GLY 104 7.722 16.162 -13.583 106 LEU ATOM 2097 CA THR 105 4.623 14.345 -14.748 107 GLY ATOM 2098 CA LYS 106 2.368 16.825 -12.922 108 ASP TER 85 87.730 3 4hg6A2 ATOM 3001 CA GLU 1 19.144 56.138 57.919 1 ALA ATOM 3002 CA PRO 2 17.623 53.706 60.450 2 PRO ATOM 3003 CA ARG 3 19.798 50.655 61.099 3 ARG ATOM 3004 CA PHE 4 18.552 47.115 61.693 4 VAL ATOM 3005 CA GLU 5 20.872 44.715 63.547 5 GLN ATOM 3006 CA LEU 6 21.031 41.063 62.442 6 MET ATOM 3007 CA ASN 7 23.225 38.010 61.769 7 GLU ATOM 3008 CA LEU 8 23.065 36.976 58.117 8 VAL ATOM 3009 CA ALA 9 25.534 34.618 56.373 9 PRO ATOM 3010 CA GLY 10 26.924 36.054 53.150 10 ALA ATOM 3011 CA LYS 11 29.650 35.592 50.573 11 GLU ATOM 3012 CA VAL 12 31.775 38.675 49.917 12 ALA ATOM 3013 CA LEU 13 34.600 39.383 47.510 13 GLN ATOM 3014 CA PHE 14 37.011 42.266 47.009 14 ILE ATOM 3015 CA ASP 15 38.341 43.358 43.598 15 PRO ATOM 3016 CA GLU 16 41.336 38.145 44.553 17 PHE ATOM 3017 CA HIS 17 37.038 34.266 44.994 20 ARG ATOM 3018 CA ARG 18 34.524 33.978 47.809 21 SER ATOM 3019 CA GLY 19 35.300 35.177 51.307 22 LEU ATOM 3020 CA ASP 20 33.050 33.995 54.107 23 THR ATOM 3021 CA CYS 21 31.234 37.033 55.459 24 ALA ATOM 3022 CA GLU 22 28.424 37.936 57.868 25 THR ATOM 3023 CA LEU 23 26.183 41.023 57.925 26 VAL ATOM 3024 CA ARG 24 25.635 42.678 61.304 27 LEU ATOM 3025 CA ASP 25 23.959 46.022 60.675 28 ASP ATOM 3026 CA LEU 26 21.941 47.257 57.735 29 ALA ATOM 3027 CA SER 27 20.808 50.741 56.807 30 SER ATOM 3028 CA ARG 28 19.795 51.766 53.369 31 THR ATOM 3029 CA SER 29 22.922 53.906 53.620 32 SER ATOM 3030 CA GLY 30 25.217 50.966 54.358 33 GLY ATOM 3031 CA CYS 31 26.147 47.754 56.124 34 VAL ATOM 3032 CA ARG 32 28.493 46.313 58.792 35 ARG ATOM 3033 CA PHE 33 30.080 43.085 57.524 36 LEU ATOM 3034 CA ILE 34 32.464 40.579 59.167 37 LEU ATOM 3035 CA THR 35 34.929 38.705 56.931 38 VAL ATOM 3036 CA PRO 36 37.074 35.579 57.298 39 ARG ATOM 3037 CA PRO 37 40.444 35.730 55.545 40 LEU ATOM 3038 CA LEU 38 42.948 32.949 54.915 41 PRO ATOM 3039 CA GLY 39 45.105 34.933 57.388 42 GLY ATOM 3040 CA LYS 40 47.377 45.441 53.187 48 PRO ATOM 3041 CA THR 41 44.047 44.474 51.545 49 ALA ATOM 3042 CA TYR 42 41.255 46.463 53.264 50 LEU ATOM 3043 CA GLN 43 41.531 50.247 52.979 51 GLU ATOM 3044 CA VAL 44 39.399 53.304 53.661 52 ALA ATOM 3045 CA GLY 45 37.523 53.903 50.409 53 GLY ATOM 3046 CA ASP 46 38.322 50.463 48.974 54 GLY ATOM 3047 CA LEU 47 36.012 48.344 46.821 55 LEU ATOM 3048 CA VAL 48 33.761 45.630 48.254 56 ILE ATOM 3049 CA ALA 49 30.863 43.515 47.064 57 GLN ATOM 3050 CA LEU 50 28.933 40.850 48.954 58 PHE ATOM 3051 CA GLU 51 25.874 38.694 48.531 59 GLN ATOM 3052 CA ILE 52 23.566 37.823 51.385 60 PRO ATOM 3053 CA PHE 53 22.700 34.180 51.251 61 LYS ATOM 3054 CA SER 54 18.949 34.079 51.618 62 PHE ATOM 3055 CA ASP 55 18.014 30.576 52.550 63 PRO ATOM 3056 CA LEU 56 15.060 29.490 50.562 64 ASP ATOM 3057 CA ARG 57 14.804 33.191 50.641 65 ALA ATOM 3058 CA THR 59 15.020 33.186 46.904 66 PRO ATOM 3059 CA LYS 60 17.195 32.944 43.885 67 GLN ATOM 3060 CA THR 61 17.171 36.578 44.868 68 LEU ATOM 3061 CA PHE 62 20.531 36.468 46.581 69 GLU ATOM 3062 CA PRO 63 22.256 38.832 44.173 70 ARG ATOM 3063 CA PRO 64 25.651 40.441 44.602 71 MET ATOM 3064 CA LEU 65 25.717 43.871 46.249 72 VAL ATOM 3065 CA THR 66 28.471 46.453 45.738 73 ARG ATOM 3066 CA GLY 67 29.919 49.327 47.787 74 GLY ATOM 3067 CA LYS 68 32.963 51.138 49.153 75 ARG ATOM 3068 CA ILE 69 34.424 50.730 52.625 76 ILE ATOM 3069 CA CYS 70 34.595 53.453 55.265 77 ARG ATOM 3070 CA ASN 71 36.575 51.510 57.835 78 SER ATOM 3071 CA LEU 72 37.781 47.964 58.303 79 ALA ATOM 3072 CA GLN 73 39.100 46.545 61.554 80 ARG ATOM 3073 CA ARG 74 41.215 43.417 61.519 81 ARG ATOM 3074 CA SER 75 41.669 41.262 64.564 82 GLU ATOM 3075 CA LEU 76 44.071 38.521 63.890 83 GLY ATOM 3076 CA HIS 77 42.561 36.339 61.230 84 GLY ATOM 3077 CA HIS 78 39.121 37.890 60.915 85 THR ATOM 3078 CA ALA 79 38.218 41.459 59.967 86 VAL ATOM 3079 CA ARG 80 35.095 43.569 60.505 87 MET ATOM 3080 CA TYR 81 34.485 46.271 57.937 88 VAL ATOM 3081 CA GLY 82 31.933 49.080 57.563 89 GLY ATOM 3082 CA LEU 83 30.561 49.351 54.033 90 VAL ATOM 3083 CA GLU 84 28.703 52.238 52.326 91 ILE ATOM 3084 CA PHE 85 26.224 51.216 49.607 92 PHE ATOM 3085 CA ASN 86 27.057 51.708 45.930 93 GLU TER