3 114 (N_temp, Lch) 105 90.120 1 2l1tA ATOM 1001 CA SER 2 19.344 5.051 9.026 2 MET ATOM 1002 CA THR 3 16.408 2.739 9.883 3 SER ATOM 1003 CA ILE 4 14.518 2.831 6.509 4 ALA ATOM 1004 CA ASN 5 13.114 6.279 7.293 5 ASP ATOM 1005 CA SER 6 10.244 8.136 5.556 6 GLY ATOM 1006 CA THR 7 9.745 11.742 4.449 7 SER ATOM 1007 CA ASP 8 6.132 12.915 4.031 8 GLU ATOM 1008 CA ALA 9 4.413 9.510 3.764 9 TYR ATOM 1009 CA LEU 10 2.983 9.791 7.297 10 GLY ATOM 1010 CA ALA 11 1.408 13.109 6.228 11 ARG ATOM 1011 CA MET 12 -1.029 10.976 4.148 12 TYR ATOM 1012 CA VAL 13 -0.725 7.395 5.458 13 PHE ATOM 1013 CA GLU 14 -1.353 6.628 9.159 14 GLU ATOM 1014 CA HIS 15 -0.577 3.602 11.389 15 GLN ATOM 1015 CA SER 16 -4.191 2.354 11.426 16 LEU ATOM 1016 CA SER 17 -5.403 3.652 8.017 17 GLN ATOM 1017 CA GLU 18 -6.063 1.302 5.113 18 LYS ATOM 1018 CA LEU 19 -4.502 1.050 1.636 19 VAL ATOM 1019 CA THR 20 -5.331 -0.659 -1.678 20 ASN ATOM 1020 CA LEU 21 -2.960 -3.530 -2.624 21 LEU ATOM 1021 CA SER 22 -2.733 -3.665 -6.486 22 THR ATOM 1022 CA ILE 23 -0.359 -6.703 -6.938 23 VAL ATOM 1023 CA THR 24 1.033 -7.079 -10.475 24 ARG ATOM 1024 CA THR 25 0.543 -10.823 -11.058 25 LEU ATOM 1025 CA PRO 26 2.967 -11.183 -13.944 26 GLY ATOM 1026 CA VAL 27 2.017 -14.866 -14.452 27 ASP ATOM 1027 CA GLY 28 -1.691 -14.521 -13.604 28 THR ATOM 1028 CA THR 29 -3.100 -10.945 -13.958 29 GLY ATOM 1029 CA LYS 30 -3.314 -8.582 -11.011 30 SER ATOM 1030 CA PHE 31 -4.683 -9.075 -7.440 31 PHE ATOM 1031 CA VAL 32 -6.014 -5.870 -6.061 32 ASP ATOM 1032 CA CYS 33 -7.147 -6.030 -2.427 33 GLY ATOM 1033 CA ARG 34 -7.443 -3.925 0.763 34 THR ATOM 1034 CA THR 35 -5.571 -4.057 4.096 35 ALA ATOM 1035 CA PRO 36 -5.471 -1.892 7.199 36 ALA ATOM 1036 CA PHE 37 -2.067 -0.753 8.518 37 ILE ATOM 1037 CA ILE 38 -0.981 -1.735 12.042 38 THR ATOM 1038 CA GLY 39 2.559 -0.227 12.209 39 SER ATOM 1039 CA THR 40 4.022 2.629 10.032 40 LEU ATOM 1040 CA HIS 41 7.703 3.396 10.238 41 LYS ATOM 1041 CA ASP 43 8.775 5.809 7.513 42 GLY ATOM 1042 CA LYS 44 8.917 4.137 4.070 43 SER ATOM 1043 CA PHE 45 7.651 0.933 5.738 44 LEU ATOM 1044 CA LEU 46 4.152 -0.100 6.835 45 ALA ATOM 1045 CA LEU 47 2.786 -3.486 8.071 46 TRP ATOM 1046 CA VAL 48 -0.624 -4.788 7.037 47 LEU ATOM 1047 CA GLU 49 -3.335 -7.321 8.046 48 GLU ATOM 1048 CA MET 50 -5.722 -7.673 5.031 49 LEU ATOM 1049 CA PRO 51 -11.357 -9.851 4.945 51 GLY ATOM 1050 CA LYS 52 -11.413 -13.444 3.644 52 ALA ATOM 1051 CA ILE 53 -10.750 -12.222 0.041 53 GLU ATOM 1052 CA SER 54 -7.083 -13.319 0.014 54 GLN ATOM 1053 CA ASP 57 -4.746 -14.331 -2.900 55 PRO ATOM 1054 CA LEU 58 -3.813 -17.811 -4.214 56 PRO ATOM 1055 CA GLN 59 -0.900 -19.618 -2.413 57 PRO ATOM 1056 CA TYR 60 2.702 -19.452 -3.853 58 ASN ATOM 1057 CA PHE 61 1.665 -16.214 -5.604 59 THR ATOM 1058 CA PHE 62 2.578 -13.338 -3.228 60 LEU ATOM 1059 CA GLN 63 6.328 -12.766 -2.887 61 SER ATOM 1060 CA GLU 64 8.493 -10.465 -0.744 62 GLU ATOM 1061 CA GLY 65 9.520 -8.219 -3.689 63 GLY ATOM 1062 CA PHE 66 6.272 -8.122 -5.640 64 ALA ATOM 1063 CA TRP 67 5.736 -4.641 -6.994 65 GLU ATOM 1064 CA MET 68 2.479 -3.603 -5.341 66 VAL ATOM 1065 CA ASN 69 0.709 -0.225 -5.453 67 SER ATOM 1066 CA ILE 70 -1.085 1.348 -2.575 68 VAL ATOM 1067 CA ARG 71 -3.880 3.893 -2.472 69 SER ATOM 1068 CA ALA 72 -5.447 5.835 0.449 70 VAL ATOM 1069 CA ILE 73 -7.780 8.823 0.534 71 TRP ATOM 1070 CA SER 74 -6.944 11.721 2.852 72 THR ATOM 1071 CA PRO 75 -9.244 14.745 2.585 73 GLY ATOM 1072 CA GLY 79 -8.519 16.223 -0.896 74 GLY ATOM 1073 CA ALA 80 -7.309 13.572 -3.349 75 ALA ATOM 1074 CA LEU 81 -6.287 9.955 -3.704 76 LEU ATOM 1075 CA ILE 82 -2.764 9.644 -2.347 77 CYS ATOM 1076 CA HIS 83 -1.448 6.500 -4.022 78 ARG ATOM 1077 CA PHE 84 2.094 5.186 -4.105 79 CYS ATOM 1078 CA ARG 85 3.960 2.474 -5.959 80 ASP ATOM 1079 CA SER 86 5.881 0.092 -3.701 81 GLY ATOM 1080 CA GLN 87 7.311 -3.351 -3.088 82 ARG ATOM 1081 CA LEU 88 6.241 -5.967 -0.535 83 VAL ATOM 1082 CA MET 89 9.750 -5.719 1.105 84 GLU ATOM 1083 CA HIS 90 9.270 -8.653 3.600 85 THR ATOM 1084 CA ILE 91 6.142 -10.875 3.479 86 LEU ATOM 1085 CA LEU 92 5.144 -12.906 6.601 87 ARG ATOM 1086 CA GLN 93 1.895 -14.638 5.547 88 ASP ATOM 1087 CA GLU 94 -0.618 -14.492 2.621 89 ASP ATOM 1088 CA PRO 95 -2.382 -11.745 4.728 90 ARG ATOM 1089 CA VAL 96 0.339 -10.219 6.972 91 GLN ATOM 1090 CA ALA 99 3.149 -8.387 5.263 92 PHE ATOM 1091 CA PHE 100 5.155 -5.185 5.064 93 ALA ATOM 1092 CA LEU 101 5.233 -2.701 2.188 94 ILE ATOM 1093 CA SER 102 7.932 -0.150 1.218 95 ARG ATOM 1094 CA ILE 103 6.757 3.028 -0.554 96 LEU ATOM 1095 CA PRO 104 8.899 4.225 -3.507 97 VAL ATOM 1096 CA ASN 105 8.602 6.828 -6.288 98 GLY ATOM 1097 CA THR 106 6.957 9.335 -3.856 99 ARG ATOM 1098 CA MET 107 3.236 9.747 -3.079 100 VAL ATOM 1099 CA GLN 108 1.389 12.053 -5.541 101 ARG ATOM 1100 CA VAL 109 -2.326 13.062 -5.632 102 GLU ATOM 1101 CA SER 110 -3.038 10.818 -8.663 103 LEU ATOM 1102 CA GLN 111 -6.859 10.658 -8.523 104 GLN ATOM 1103 CA LEU 112 -9.444 13.067 -6.991 105 ARG ATOM 1104 CA ARG 113 -12.911 11.408 -6.976 106 ARG ATOM 1105 CA LYS 114 -14.165 12.812 -10.302 107 GLU TER 98 111.950 2 5vx6A ATOM 2001 CA VAL 13 8.310 13.365 216.776 1 ILE ATOM 2002 CA GLU 14 10.693 10.510 217.608 2 GLU ATOM 2003 CA HIS 15 12.400 8.814 220.556 3 ILE ATOM 2004 CA SER 16 16.128 8.368 221.100 4 GLY ATOM 2005 CA SER 17 16.808 10.897 218.337 5 GLU ATOM 2006 CA GLU 18 19.033 13.934 218.821 6 ASN ATOM 2007 CA LEU 19 17.421 17.099 220.194 7 VAL ATOM 2008 CA THR 20 19.552 20.152 219.396 8 LEU ATOM 2009 CA LEU 21 19.156 23.149 221.716 9 LEU ATOM 2010 CA SER 22 20.107 26.781 221.125 10 GLU ATOM 2011 CA ILE 23 20.071 29.105 224.149 11 TYR ATOM 2012 CA THR 24 21.761 32.312 225.319 12 ILE ATOM 2013 CA THR 25 24.081 32.106 228.334 13 GLU ATOM 2014 CA PRO 26 26.158 35.128 229.386 14 GLU ATOM 2015 CA VAL 27 25.117 37.186 226.340 15 ASN ATOM 2016 CA THR 29 26.505 34.725 223.749 16 GLU ATOM 2017 CA LYS 30 24.573 32.087 221.816 17 LEU ATOM 2018 CA PHE 31 25.534 28.595 222.980 18 LYS ATOM 2019 CA VAL 32 24.233 25.385 221.409 19 LYS ATOM 2020 CA CYS 33 23.912 21.924 222.919 20 ALA ATOM 2021 CA ARG 34 22.928 18.404 221.883 21 LYS ATOM 2022 CA THR 35 20.625 16.245 223.998 22 SER ATOM 2023 CA PRO 36 18.592 13.047 223.563 23 LYS ATOM 2024 CA PHE 37 14.834 12.556 223.373 24 ALA ATOM 2025 CA ILE 38 13.526 10.425 226.251 25 VAL ATOM 2026 CA GLY 39 9.742 10.824 226.038 26 SER ATOM 2027 CA THR 40 7.023 13.273 225.000 27 ILE ATOM 2028 CA HIS 41 4.281 12.629 227.556 28 GLU ATOM 2029 CA ASP 43 1.281 14.988 227.261 29 ASN ATOM 2030 CA LYS 44 2.623 18.463 226.313 30 ASN ATOM 2031 CA PHE 45 6.054 17.979 227.930 31 GLU ATOM 2032 CA LEU 46 9.263 16.838 226.231 32 LEU ATOM 2033 CA LEU 47 11.961 15.148 228.322 33 LEU ATOM 2034 CA VAL 48 15.565 15.334 227.096 34 ILE ATOM 2035 CA GLU 49 18.636 13.760 228.678 35 ALA ATOM 2036 CA MET 50 22.394 14.308 228.686 36 TYR ATOM 2037 CA PRO 51 22.602 17.946 227.543 37 PRO ATOM 2038 CA LYS 52 26.152 17.977 226.188 38 VAL ATOM 2039 CA ILE 53 27.742 20.868 224.340 39 ASP ATOM 2040 CA SER 54 27.759 20.774 220.544 40 VAL ATOM 2041 CA ALA 55 31.564 21.029 220.391 41 VAL ATOM 2042 CA ASP 56 32.488 20.153 223.994 42 THR ATOM 2043 CA ASP 57 31.787 16.505 224.780 43 GLY ATOM 2044 CA LEU 58 31.320 17.512 228.427 44 ARG ATOM 2045 CA GLN 59 27.813 17.978 229.805 45 THR ATOM 2046 CA TYR 60 26.243 21.399 230.405 46 VAL ATOM 2047 CA PHE 61 23.558 22.970 232.600 47 ILE ATOM 2048 CA PHE 62 20.327 24.512 231.285 48 LEU ATOM 2049 CA GLN 63 19.117 27.080 233.812 49 HIS ATOM 2050 CA GLU 64 15.386 26.763 234.464 50 ASN ATOM 2051 CA GLY 65 12.814 29.056 232.824 51 ASP ATOM 2052 CA PHE 66 15.277 29.784 229.998 52 MET ATOM 2053 CA TRP 67 13.741 30.247 226.553 53 GLU ATOM 2054 CA MET 68 15.542 27.784 224.283 54 VAL ATOM 2055 CA ASN 69 15.179 26.995 220.574 55 THR ATOM 2056 CA ILE 70 14.681 23.274 219.957 56 VAL ATOM 2057 CA ARG 71 15.636 21.551 216.702 57 GLU ATOM 2058 CA ALA 72 15.006 17.927 215.768 58 PHE ATOM 2059 CA ILE 73 14.430 15.626 212.805 59 VAL ATOM 2060 CA SER 74 11.081 13.856 212.835 60 GLY ATOM 2061 CA PRO 75 10.192 10.399 211.608 61 LYS ATOM 2062 CA GLU 78 9.706 11.843 208.099 62 ASP ATOM 2063 CA GLY 79 13.389 12.837 207.715 63 GLU ATOM 2064 CA ALA 80 12.234 16.466 207.915 64 VAL ATOM 2065 CA LEU 81 13.853 19.001 210.289 65 PRO ATOM 2066 CA ILE 82 11.669 20.969 212.697 66 TYR ATOM 2067 CA HIS 83 12.348 24.017 214.862 67 ARG ATOM 2068 CA PHE 84 10.333 25.624 217.656 68 PHE ATOM 2069 CA ARG 85 10.951 27.991 220.553 69 ILE ATOM 2070 CA SER 86 10.327 26.628 224.039 70 SER ATOM 2071 CA GLN 87 11.336 26.932 227.693 71 ARG ATOM 2072 CA LEU 88 13.135 24.895 230.354 72 ILE ATOM 2073 CA MET 89 10.194 23.679 232.450 73 LYS ATOM 2074 CA HIS 90 12.461 22.087 235.052 74 GLY ATOM 2075 CA ILE 91 14.406 19.001 236.027 75 LYS ATOM 2076 CA LEU 92 12.951 15.504 236.403 76 VAL ATOM 2077 CA GLN 93 14.482 12.795 238.611 77 LYS ATOM 2078 CA GLU 94 13.724 9.110 237.998 78 ASP ATOM 2079 CA PRO 95 17.154 7.554 237.402 79 LYS ATOM 2080 CA VAL 96 18.939 10.515 235.813 80 LEU ATOM 2081 CA PRO 97 18.601 14.284 235.480 81 GLN ATOM 2082 CA MET 98 16.426 15.025 232.448 82 MET ATOM 2083 CA ALA 99 15.173 18.457 231.398 83 ILE ATOM 2084 CA PHE 100 11.474 19.161 230.832 84 CYS ATOM 2085 CA LEU 101 10.697 21.160 227.676 85 LEU ATOM 2086 CA SER 102 7.289 22.735 227.115 86 GLU ATOM 2087 CA ILE 103 6.063 21.495 223.758 87 MET ATOM 2088 CA PRO 104 4.367 23.956 221.379 88 PRO ATOM 2089 CA ASN 105 1.165 24.517 214.427 91 GLU ATOM 2090 CA THR 106 3.949 26.944 215.445 92 LYS ATOM 2091 CA MET 107 6.384 24.050 214.845 93 MET ATOM 2092 CA GLN 108 7.966 25.312 211.633 94 LYS ATOM 2093 CA VAL 109 9.539 22.818 209.241 95 ARG ATOM 2094 CA SER 110 12.887 24.174 208.082 96 ILE ATOM 2095 CA GLN 111 15.224 23.469 205.166 97 GLN ATOM 2096 CA LEU 112 18.938 24.228 205.467 98 ARG ATOM 2097 CA ARG 113 20.315 22.831 202.189 99 ARG ATOM 2098 CA LYS 114 20.832 25.374 199.419 100 GLN TER 94 120.520 3 5vx6A1 ATOM 3001 CA VAL 13 8.310 13.365 216.776 1 ILE ATOM 3002 CA GLU 14 10.693 10.510 217.608 2 GLU ATOM 3003 CA HIS 15 12.400 8.814 220.556 3 ILE ATOM 3004 CA SER 16 16.128 8.368 221.100 4 GLY ATOM 3005 CA SER 17 16.808 10.897 218.337 5 GLU ATOM 3006 CA GLU 18 19.033 13.934 218.821 6 ASN ATOM 3007 CA LEU 19 17.421 17.099 220.194 7 VAL ATOM 3008 CA THR 20 19.552 20.152 219.396 8 LEU ATOM 3009 CA LEU 21 19.156 23.149 221.716 9 LEU ATOM 3010 CA SER 22 20.107 26.781 221.125 10 GLU ATOM 3011 CA ILE 23 20.071 29.105 224.149 11 TYR ATOM 3012 CA THR 24 21.761 32.312 225.319 12 ILE ATOM 3013 CA THR 25 24.081 32.106 228.334 13 GLU ATOM 3014 CA PRO 26 26.158 35.128 229.386 14 GLU ATOM 3015 CA GLY 28 25.117 37.186 226.340 15 ASN ATOM 3016 CA THR 29 26.505 34.725 223.749 16 GLU ATOM 3017 CA LYS 30 24.573 32.087 221.816 17 LEU ATOM 3018 CA PHE 31 25.534 28.595 222.980 18 LYS ATOM 3019 CA VAL 32 24.233 25.385 221.409 19 LYS ATOM 3020 CA CYS 33 23.912 21.924 222.919 20 ALA ATOM 3021 CA ARG 34 22.928 18.404 221.883 21 LYS ATOM 3022 CA THR 35 20.625 16.245 223.998 22 SER ATOM 3023 CA PRO 36 18.592 13.047 223.563 23 LYS ATOM 3024 CA PHE 37 14.834 12.556 223.373 24 ALA ATOM 3025 CA ILE 38 13.526 10.425 226.251 25 VAL ATOM 3026 CA GLY 39 9.742 10.824 226.038 26 SER ATOM 3027 CA THR 40 7.023 13.273 225.000 27 ILE ATOM 3028 CA HIS 41 4.281 12.629 227.556 28 GLU ATOM 3029 CA ASP 43 1.281 14.988 227.261 29 ASN ATOM 3030 CA LYS 44 2.623 18.463 226.313 30 ASN ATOM 3031 CA PHE 45 6.054 17.979 227.930 31 GLU ATOM 3032 CA LEU 46 9.263 16.838 226.231 32 LEU ATOM 3033 CA LEU 47 11.961 15.148 228.322 33 LEU ATOM 3034 CA VAL 48 15.565 15.334 227.096 34 ILE ATOM 3035 CA GLU 49 18.636 13.760 228.678 35 ALA ATOM 3036 CA MET 50 22.394 14.308 228.686 36 TYR ATOM 3037 CA PRO 51 22.602 17.946 227.543 37 PRO ATOM 3038 CA LYS 52 26.152 17.977 226.188 38 VAL ATOM 3039 CA ILE 53 27.742 20.868 224.340 39 ASP ATOM 3040 CA SER 54 27.759 20.774 220.544 40 VAL ATOM 3041 CA ALA 55 31.564 21.029 220.391 41 VAL ATOM 3042 CA ASP 56 32.488 20.153 223.994 42 THR ATOM 3043 CA ASP 57 31.787 16.505 224.780 43 GLY ATOM 3044 CA LEU 58 31.320 17.512 228.427 44 ARG ATOM 3045 CA GLN 59 27.813 17.978 229.805 45 THR ATOM 3046 CA TYR 60 26.243 21.399 230.405 46 VAL ATOM 3047 CA PHE 61 23.558 22.970 232.600 47 ILE ATOM 3048 CA PHE 62 20.327 24.512 231.285 48 LEU ATOM 3049 CA GLN 63 19.117 27.080 233.812 49 HIS ATOM 3050 CA GLU 64 15.386 26.763 234.464 50 ASN ATOM 3051 CA GLY 65 12.814 29.056 232.824 51 ASP ATOM 3052 CA PHE 66 15.277 29.784 229.998 52 MET ATOM 3053 CA TRP 67 13.741 30.247 226.553 53 GLU ATOM 3054 CA MET 68 15.542 27.784 224.283 54 VAL ATOM 3055 CA ASN 69 15.179 26.995 220.574 55 THR ATOM 3056 CA ILE 70 14.681 23.274 219.957 56 VAL ATOM 3057 CA ARG 71 15.636 21.551 216.702 57 GLU ATOM 3058 CA ALA 72 15.006 17.927 215.768 58 PHE ATOM 3059 CA ILE 73 14.430 15.626 212.805 59 VAL ATOM 3060 CA SER 74 11.081 13.856 212.835 60 GLY ATOM 3061 CA PRO 75 10.192 10.399 211.608 61 LYS ATOM 3062 CA GLU 78 9.706 11.843 208.099 62 ASP ATOM 3063 CA GLY 79 13.389 12.837 207.715 63 GLU ATOM 3064 CA ALA 80 12.234 16.466 207.915 64 VAL ATOM 3065 CA LEU 81 13.853 19.001 210.289 65 PRO ATOM 3066 CA ILE 82 11.669 20.969 212.697 66 TYR ATOM 3067 CA HIS 83 12.348 24.017 214.862 67 ARG ATOM 3068 CA PHE 84 10.333 25.624 217.656 68 PHE ATOM 3069 CA ARG 85 10.951 27.991 220.553 69 ILE ATOM 3070 CA SER 86 10.327 26.628 224.039 70 SER ATOM 3071 CA GLN 87 11.336 26.932 227.693 71 ARG ATOM 3072 CA LEU 88 13.135 24.895 230.354 72 ILE ATOM 3073 CA MET 89 10.194 23.679 232.450 73 LYS ATOM 3074 CA HIS 90 12.461 22.087 235.052 74 GLY ATOM 3075 CA ILE 91 14.406 19.001 236.027 75 LYS ATOM 3076 CA LEU 92 12.951 15.504 236.403 76 VAL ATOM 3077 CA GLN 93 14.482 12.795 238.611 77 LYS ATOM 3078 CA GLU 94 13.724 9.110 237.998 78 ASP ATOM 3079 CA PRO 95 17.154 7.554 237.402 79 LYS ATOM 3080 CA VAL 96 18.939 10.515 235.813 80 LEU ATOM 3081 CA PRO 97 18.601 14.284 235.480 81 GLN ATOM 3082 CA MET 98 16.426 15.025 232.448 82 MET ATOM 3083 CA ALA 99 15.173 18.457 231.398 83 ILE ATOM 3084 CA PHE 100 11.474 19.161 230.832 84 CYS ATOM 3085 CA LEU 101 10.697 21.160 227.676 85 LEU ATOM 3086 CA SER 102 7.289 22.735 227.115 86 GLU ATOM 3087 CA ILE 103 6.063 21.495 223.758 87 MET ATOM 3088 CA PRO 104 4.367 23.956 221.379 88 PRO ATOM 3089 CA ASN 105 1.196 23.132 219.405 89 PRO ATOM 3090 CA THR 106 3.949 26.944 215.445 92 LYS ATOM 3091 CA MET 107 6.384 24.050 214.845 93 MET ATOM 3092 CA GLN 108 7.966 25.312 211.633 94 LYS ATOM 3093 CA VAL 109 9.539 22.818 209.241 95 ARG ATOM 3094 CA SER 110 12.887 24.174 208.082 96 ILE TER