3 112 (N_temp, Lch) 105 34.000 1 2r4iA ATOM 1001 CA ILE 2 44.826 23.296 50.080 2 ASN ATOM 1002 CA ARG 3 48.490 24.140 49.408 3 GLN ATOM 1003 CA ALA 4 49.042 20.887 47.544 4 ARG ATOM 1004 CA ASP 5 46.146 21.749 45.225 5 ASP ATOM 1005 CA THR 6 47.796 25.131 44.568 6 VAL ATOM 1006 CA ALA 7 51.243 23.604 43.906 7 ILE ATOM 1007 CA GLU 8 49.807 20.985 41.501 8 LEU ATOM 1008 CA HIS 9 47.315 23.328 39.778 9 ASP ATOM 1009 CA LEU 10 49.341 23.519 36.548 10 CYS ATOM 1010 CA ARG 11 46.211 19.160 36.766 12 LYS ATOM 1011 CA THR 12 45.517 21.662 33.973 13 LYS ATOM 1012 CA ARG 13 48.172 19.912 31.849 14 LEU ATOM 1013 CA TYR 14 46.681 16.426 32.389 15 LEU ATOM 1014 CA SER 15 43.151 17.741 31.604 16 THR ATOM 1015 CA ALA 16 44.502 19.490 28.425 17 ALA ATOM 1016 CA PHE 17 46.181 16.214 27.327 18 ILE ATOM 1017 CA VAL 18 43.007 14.228 27.966 19 GLN ATOM 1018 CA LEU 19 40.846 16.680 26.009 20 ASN ATOM 1019 CA VAL 20 43.323 17.731 23.222 21 ASN ATOM 1020 CA LYS 21 43.116 21.304 24.483 22 ASP ATOM 1021 CA PRO 22 45.747 22.735 22.171 23 VAL ATOM 1022 CA GLU 23 45.063 26.296 23.401 24 GLU ATOM 1023 CA TYR 24 45.957 25.296 26.994 25 SER ATOM 1024 CA ILE 25 49.020 23.296 25.860 26 LEU ATOM 1025 CA VAL 26 50.333 26.461 24.074 27 GLU ATOM 1026 CA LYS 27 50.304 28.325 27.390 28 VAL ATOM 1027 CA THR 28 51.549 25.537 29.673 29 LEU ATOM 1028 CA THR 29 54.477 24.394 27.543 30 LEU ATOM 1029 CA LEU 30 57.521 26.641 27.064 31 HIS ATOM 1030 CA PRO 31 58.562 27.226 23.423 32 ASP ATOM 1031 CA ALA 32 62.108 25.999 24.159 33 ASP ATOM 1032 CA GLN 33 61.402 22.825 26.044 34 LEU ATOM 1033 CA GLN 34 62.932 19.429 25.309 35 LEU ATOM 1034 CA ASP 35 61.157 16.150 26.019 36 PHE ATOM 1035 CA LEU 36 64.189 14.247 21.677 43 THR ATOM 1036 CA LEU 37 60.874 16.035 21.026 44 VAL ATOM 1037 CA ASP 38 60.104 19.731 20.867 45 THR ATOM 1038 CA ILE 39 56.984 21.684 21.926 46 LYS ATOM 1039 CA LYS 40 55.770 22.019 18.292 47 GLU ATOM 1040 CA ALA 41 56.102 18.341 17.581 48 THR ATOM 1041 CA ILE 42 54.330 17.387 20.822 49 ASP ATOM 1042 CA GLU 43 51.079 18.905 16.547 51 ALA ATOM 1043 CA ASN 44 50.236 15.281 17.581 52 ALA ATOM 1044 CA TRP 45 47.244 16.615 19.670 53 TYR ATOM 1045 CA ALA 46 46.167 19.096 16.932 54 SER ATOM 1046 CA LYS 47 46.125 16.456 14.221 55 SER ATOM 1047 CA GLU 48 46.455 11.564 16.284 57 LYS ATOM 1048 CA THR 49 45.967 11.251 20.093 58 ILE ATOM 1049 CA ASP 50 42.618 10.112 21.677 59 ALA ATOM 1050 CA TRP 51 43.243 9.422 25.421 60 LEU ATOM 1051 CA ALA 52 40.147 8.477 27.491 61 ARG ATOM 1052 CA GLY 53 41.654 8.983 30.870 62 ALA ATOM 1053 CA LEU 54 44.900 10.491 32.203 63 VAL ATOM 1054 CA GLU 55 45.353 9.659 35.951 64 VAL ATOM 1055 CA VAL 56 48.330 10.649 38.172 65 PRO ATOM 1056 CA VAL 57 49.594 8.876 41.290 66 SER ATOM 1057 CA ALA 58 52.674 8.980 43.521 67 ASP ATOM 1058 CA HIS 59 53.775 12.557 42.951 68 TYR ATOM 1059 CA THR 60 57.292 13.356 44.213 69 ILE ATOM 1060 CA PRO 61 57.807 17.150 44.234 70 ILE ATOM 1061 CA LYS 62 60.872 19.368 44.777 71 ARG ATOM 1062 CA LEU 63 60.656 23.170 44.800 72 ILE ATOM 1063 CA SER 64 63.931 24.888 43.831 73 ILE ATOM 1064 CA LYS 65 63.656 28.681 43.690 74 HIS ATOM 1065 CA ARG 66 61.478 29.498 40.583 75 ASP ATOM 1066 CA HIS 67 61.328 25.841 39.514 76 THR ATOM 1067 CA ALA 68 59.170 22.816 40.482 77 VAL ATOM 1068 CA GLN 69 60.625 19.359 39.624 78 VAL ATOM 1069 CA VAL 70 57.950 16.614 39.474 79 VAL ATOM 1070 CA GLU 71 58.161 12.832 39.195 80 SER ATOM 1071 CA PHE 72 54.832 10.968 38.837 81 VAL ATOM 1072 CA LYS 73 53.100 7.813 37.603 82 ASN ATOM 1073 CA ALA 74 50.615 8.583 34.801 83 ILE ATOM 1074 CA TYR 75 48.098 6.000 33.520 84 GLU ATOM 1075 CA PHE 76 47.723 6.482 29.780 85 ILE ATOM 1076 CA LYS 77 44.683 4.777 28.222 86 LYS ATOM 1077 CA THR 78 43.492 5.330 24.681 87 GLY ATOM 1078 CA PRO 79 44.685 5.676 21.144 88 GLU ATOM 1079 CA ASP 80 48.026 7.164 20.382 89 TYR ATOM 1080 CA GLY 81 48.867 2.260 19.181 91 HIS ATOM 1081 CA LEU 82 46.639 0.962 28.646 94 ASP ATOM 1082 CA GLN 83 49.933 1.453 30.460 95 ASN ATOM 1083 CA ALA 84 51.693 3.559 33.105 96 THR ATOM 1084 CA HIS 85 54.701 5.756 32.436 97 PHE ATOM 1085 CA HIS 86 56.904 7.556 34.922 98 ARG ATOM 1086 CA GLU 87 56.894 11.225 33.911 99 TYR ATOM 1087 CA LEU 88 59.528 13.763 34.846 100 LEU ATOM 1088 CA SER 89 58.522 17.428 34.352 101 ARG ATOM 1089 CA THR 90 60.400 20.620 35.184 102 VAL ATOM 1090 CA PHE 91 58.224 23.693 35.543 103 TRP ATOM 1091 CA VAL 92 59.553 27.282 35.654 104 LYS ATOM 1092 CA LYS 93 57.691 30.461 36.732 105 LEU ATOM 1093 CA ILE 94 58.415 32.530 33.603 106 PHE ATOM 1094 CA ASP 101 56.460 35.250 31.747 107 ASP ATOM 1095 CA ALA 102 54.304 35.232 34.904 108 GLY ATOM 1096 CA SER 103 53.046 31.659 34.670 109 ASN ATOM 1097 CA TRP 104 54.179 28.140 35.318 110 TRP ATOM 1098 CA TYR 105 55.497 26.525 32.127 111 LYS ATOM 1099 CA PHE 106 57.080 23.148 31.380 112 VAL ATOM 1100 CA LEU 107 60.689 23.593 30.246 113 ILE ATOM 1101 CA ASP 108 61.853 19.927 30.265 114 ALA ATOM 1102 CA PRO 109 60.631 16.432 30.730 115 GLY ATOM 1103 CA THR 110 60.793 12.764 30.013 116 SER ATOM 1104 CA VAL 111 58.502 9.733 29.750 117 CYS ATOM 1105 CA SER 112 59.777 6.358 31.025 118 THR TER 93 32.100 2 3k7cA ATOM 2001 CA ASP 5 56.489 14.442 -21.342 1 SER ATOM 2002 CA THR 6 56.577 17.658 -19.244 2 ASN ATOM 2003 CA ALA 7 54.095 17.440 -16.321 3 PRO ATOM 2004 CA GLU 8 52.151 20.673 -17.123 4 GLU ATOM 2005 CA HIS 9 51.183 19.279 -20.579 5 ASP ATOM 2006 CA LEU 10 50.439 15.807 -19.139 6 LEU ATOM 2007 CA ARG 11 46.276 19.341 -19.240 8 LYS ATOM 2008 CA THR 12 45.900 16.338 -21.613 9 ASN ATOM 2009 CA ARG 13 44.750 14.093 -18.738 10 PHE ATOM 2010 CA TYR 14 42.115 16.720 -17.916 11 THR ATOM 2011 CA SER 15 41.065 17.043 -21.603 12 LYS ATOM 2012 CA ALA 16 40.638 13.260 -21.703 13 ASP ATOM 2013 CA PHE 17 38.835 13.149 -18.349 14 LEU ATOM 2014 CA VAL 18 35.988 15.307 -19.899 15 TYR ATOM 2015 CA LEU 19 36.158 13.415 -23.301 16 SER ATOM 2016 CA VAL 20 34.245 10.214 -22.335 17 GLY ATOM 2017 CA LYS 21 37.088 7.878 -23.179 18 ASP ATOM 2018 CA PRO 22 38.043 5.652 -20.258 19 THR ATOM 2019 CA GLU 23 40.980 3.838 -21.899 20 LYS ATOM 2020 CA TYR 24 42.657 7.165 -22.583 21 SER ATOM 2021 CA ILE 25 42.225 8.352 -19.041 22 VAL ATOM 2022 CA LYS 27 46.722 5.131 -19.714 23 SER ATOM 2023 CA THR 28 47.877 8.196 -17.597 24 TYR ATOM 2024 CA THR 29 47.327 6.566 -14.176 25 ILE ATOM 2025 CA LEU 30 49.928 4.899 -11.947 26 ASP ATOM 2026 CA PRO 31 48.328 1.685 -10.631 27 LEU ATOM 2027 CA ALA 32 51.158 0.823 -8.133 28 SER ATOM 2028 CA GLN 33 48.987 1.477 -4.993 29 GLU ATOM 2029 CA GLN 34 46.400 -1.013 -6.310 30 ALA ATOM 2030 CA ASP 35 48.336 -4.165 -5.304 31 LYS ATOM 2031 CA LEU 36 45.711 -6.780 -6.297 32 SER ATOM 2032 CA LEU 37 43.772 -7.483 -9.498 33 ASP ATOM 2033 CA ASP 38 40.519 -6.747 -7.570 34 GLU ATOM 2034 CA ILE 39 41.960 -3.360 -6.470 35 GLU ATOM 2035 CA LYS 40 42.948 -2.572 -10.063 36 LYS ATOM 2036 CA ALA 41 39.416 -3.443 -11.152 37 THR ATOM 2037 CA ILE 42 37.959 -1.297 -8.390 38 PHE ATOM 2038 CA GLU 43 40.050 1.650 -9.606 39 VAL ATOM 2039 CA ASN 44 27.579 14.119 -19.066 52 ALA ATOM 2040 CA TRP 45 28.538 17.226 -17.133 53 LYS ATOM 2041 CA ALA 46 30.671 18.763 -19.921 54 ALA ATOM 2042 CA LYS 47 27.676 18.290 -22.234 55 LYS ATOM 2043 CA GLU 48 25.271 20.002 -19.750 56 ARG ATOM 2044 CA THR 49 28.133 23.393 -23.252 57 GLY ATOM 2045 CA ASP 50 31.484 21.586 -23.525 58 GLY ATOM 2046 CA TRP 51 34.950 22.512 -22.363 59 VAL ATOM 2047 CA ALA 52 36.115 25.985 -23.546 60 LYS ATOM 2048 CA GLY 53 39.700 25.890 -22.316 61 ASP ATOM 2049 CA LEU 54 42.043 24.164 -19.858 62 ILE ATOM 2050 CA GLU 55 44.609 26.164 -17.949 63 GLN ATOM 2051 CA VAL 56 47.048 25.861 -15.146 64 ILE ATOM 2052 CA VAL 57 46.570 28.064 -12.123 65 GLU ATOM 2053 CA ALA 58 49.073 26.976 -9.478 66 GLU ATOM 2054 CA HIS 59 51.998 24.578 -9.830 67 LYS ATOM 2055 CA THR 60 54.683 22.999 -7.728 68 THR ATOM 2056 CA PRO 61 57.108 20.966 -9.840 69 ILE ATOM 2057 CA SER 64 60.451 19.302 -9.240 70 ASN ATOM 2058 CA LYS 65 62.403 16.694 -11.270 71 LYS ATOM 2059 CA ARG 66 60.154 13.754 -10.214 72 ASP ATOM 2060 CA HIS 67 56.935 15.107 -8.652 73 SER ATOM 2061 CA ALA 68 54.270 17.702 -9.367 74 ALA ATOM 2062 CA GLN 69 51.101 19.179 -7.885 75 LYS ATOM 2063 CA VAL 70 49.244 21.152 -10.507 76 ILE ATOM 2064 CA GLU 71 45.909 22.965 -10.065 77 ARG ATOM 2065 CA PHE 72 44.207 22.545 -13.483 78 VAL ATOM 2066 CA LYS 73 41.358 25.039 -14.300 79 LEU ATOM 2067 CA ALA 74 38.677 23.779 -16.728 80 VAL ATOM 2068 CA TYR 75 36.611 26.600 -18.299 81 LEU ATOM 2069 CA PHE 76 33.240 25.553 -19.769 82 PHE ATOM 2070 CA THR 78 31.352 27.213 -22.631 83 ASN ATOM 2071 CA PRO 79 28.532 28.224 -20.277 84 ASN ATOM 2072 CA ASP 80 31.076 30.610 -18.534 85 ASP ATOM 2073 CA GLY 81 31.439 28.498 -15.391 86 ASN ATOM 2074 CA ALA 84 34.924 27.300 -14.390 87 ASN ATOM 2075 CA HIS 85 36.116 24.492 -12.123 88 GLN ATOM 2076 CA HIS 86 39.570 23.695 -10.753 89 SER ATOM 2077 CA GLU 87 41.311 20.936 -8.765 90 SER ATOM 2078 CA LEU 88 44.780 19.486 -8.163 91 ASN ATOM 2079 CA SER 89 46.384 16.782 -10.318 92 VAL ATOM 2080 CA THR 90 49.276 15.001 -8.507 93 PHE ATOM 2081 CA PHE 91 52.027 13.426 -10.716 94 LEU ATOM 2082 CA VAL 92 55.261 11.493 -10.305 95 ALA ATOM 2083 CA LYS 93 58.101 10.411 -12.603 96 LYS ATOM 2084 CA ILE 94 59.128 7.010 -11.269 97 LYS ATOM 2085 CA ASP 101 61.148 5.874 -14.361 98 ASP ATOM 2086 CA ALA 102 61.381 8.098 -17.539 99 ARG ATOM 2087 CA SER 103 57.586 8.737 -17.676 100 LYS ATOM 2088 CA TRP 104 55.266 11.134 -15.797 101 TRP ATOM 2089 CA TYR 105 52.036 9.518 -14.544 102 LEU ATOM 2090 CA PHE 106 49.030 10.811 -12.674 103 VAL ATOM 2091 CA LEU 107 48.753 9.616 -9.032 104 LEU ATOM 2092 CA ASP 108 45.470 8.424 -7.512 105 LEU ATOM 2093 CA PRO 109 44.625 10.885 -4.695 106 LYS TER 102 30.400 3 3gwrB ATOM 3001 CA ALA 1 3.742 9.448 0.594 2 GLU ATOM 3002 CA ILE 2 1.450 12.381 -0.241 3 PRO ATOM 3003 CA ARG 3 2.594 15.497 -2.062 4 VAL ATOM 3004 CA ALA 4 0.767 18.816 -1.462 5 PHE ATOM 3005 CA ASP 5 0.890 21.109 -4.459 6 PRO ATOM 3006 CA THR 6 0.275 24.366 -2.600 7 THR ATOM 3007 CA ALA 7 0.380 25.800 0.947 8 PRO ATOM 3008 CA GLU 8 -3.424 25.799 0.950 9 GLU ATOM 3009 CA HIS 9 -3.432 21.996 0.273 10 ALA ATOM 3010 CA LEU 10 -0.975 21.436 3.117 11 ALA ATOM 3011 CA ARG 11 -6.293 21.598 4.334 13 ASP ATOM 3012 CA THR 12 -4.447 18.306 5.018 14 ALA ATOM 3013 CA ARG 13 -3.259 19.623 8.432 15 PHE ATOM 3014 CA TYR 14 -6.740 20.446 9.693 16 TYR ATOM 3015 CA SER 15 -8.291 17.280 8.291 17 ALA ATOM 3016 CA ALA 16 -5.666 15.179 10.115 18 ALA ATOM 3017 CA PHE 17 -6.309 17.272 13.262 19 PHE ATOM 3018 CA VAL 18 -10.088 16.720 13.280 20 GLU ATOM 3019 CA LEU 19 -9.739 12.985 12.403 21 ALA ATOM 3020 CA VAL 20 -7.053 12.623 15.073 22 ARG ATOM 3021 CA LYS 21 -4.932 10.752 12.487 23 SER ATOM 3022 CA PRO 22 -1.232 10.624 13.466 24 LEU ATOM 3023 CA GLU 23 -0.028 9.063 10.152 25 ASP ATOM 3024 CA TYR 24 -1.872 11.693 8.153 26 ASP ATOM 3025 CA LYS 27 2.737 13.350 6.440 27 ALA ATOM 3026 CA THR 28 1.983 17.134 6.401 28 VAL ATOM 3027 CA THR 29 5.156 18.004 8.336 29 TRP ATOM 3028 CA LEU 30 8.499 18.424 6.594 30 ALA ATOM 3029 CA PRO 31 10.915 15.504 6.849 31 ARG ATOM 3030 CA ALA 32 13.271 17.739 8.759 32 ASP ATOM 3031 CA GLN 33 14.337 17.291 12.339 33 ASP ATOM 3032 CA GLN 34 14.062 21.040 13.056 34 HIS ATOM 3033 CA ASP 35 7.775 24.161 21.877 44 PRO ATOM 3034 CA LEU 36 8.096 20.496 20.846 45 LEU ATOM 3035 CA LEU 37 11.295 20.402 18.689 46 ASN ATOM 3036 CA ASP 38 12.066 17.774 16.009 47 GLY ATOM 3037 CA ILE 39 9.908 15.066 14.419 48 ARG ATOM 3038 CA LYS 40 9.808 12.661 17.368 49 ALA ATOM 3039 CA ALA 41 8.725 15.409 19.818 50 ALA ATOM 3040 CA ILE 42 6.114 16.828 17.394 51 VAL ATOM 3041 CA GLU 43 4.764 13.352 16.741 52 ALA ATOM 3042 CA ASN 44 4.596 12.576 20.514 53 ALA ATOM 3043 CA TRP 45 2.694 15.810 21.103 54 GLY ATOM 3044 CA ALA 46 -5.206 12.938 19.885 58 PHE ATOM 3045 CA LYS 47 -5.153 10.186 22.484 59 GLY ATOM 3046 CA GLU 48 -6.551 12.267 25.360 60 ALA ATOM 3047 CA THR 49 -8.854 14.717 23.570 61 ALA ATOM 3048 CA ASP 50 -11.847 12.504 22.905 62 GLY ATOM 3049 CA TRP 51 -14.266 13.588 20.141 63 ARG ATOM 3050 CA ALA 52 -14.456 17.178 18.886 64 PHE ATOM 3051 CA GLY 53 -15.145 19.189 15.731 65 ARG ATOM 3052 CA LEU 54 -12.928 21.857 14.235 66 LEU ATOM 3053 CA GLU 55 -13.745 24.837 11.980 67 GLN ATOM 3054 CA VAL 56 -11.001 27.187 10.730 68 VAL ATOM 3055 CA VAL 57 -11.083 30.768 9.317 69 LYS ATOM 3056 CA ALA 58 -8.039 32.469 7.767 70 ALA ATOM 3057 CA HIS 59 -7.180 35.853 9.166 71 VAL ATOM 3058 CA THR 60 -4.082 36.863 7.242 72 HIS ATOM 3059 CA PRO 61 -1.318 35.481 5.105 73 GLU ATOM 3060 CA LYS 62 2.265 36.441 4.370 74 ILE ATOM 3061 CA LEU 63 3.195 35.008 0.999 75 ARG ATOM 3062 CA SER 64 6.716 34.539 -0.413 76 GLN ATOM 3063 CA LYS 65 7.936 32.171 -3.108 77 ALA ATOM 3064 CA ARG 66 9.751 29.800 -0.682 78 ASP ATOM 3065 CA HIS 67 7.690 30.192 2.527 79 HIS ATOM 3066 CA ALA 68 4.034 31.011 3.150 80 VAL ATOM 3067 CA GLN 69 2.740 32.001 6.620 81 ILE ATOM 3068 CA VAL 70 -1.004 31.609 7.252 82 ARG ATOM 3069 CA GLU 71 -2.584 33.048 10.405 83 ILE ATOM 3070 CA PHE 72 -5.889 31.434 11.290 84 VAL ATOM 3071 CA LYS 73 -8.605 31.270 13.950 85 ASP ATOM 3072 CA ALA 74 -9.348 27.701 15.182 86 GLU ATOM 3073 CA TYR 75 -12.851 27.029 16.497 87 PHE ATOM 3074 CA PHE 76 -13.305 23.819 18.477 88 LEU ATOM 3075 CA LYS 77 -16.690 22.420 19.443 89 THR ATOM 3076 CA THR 78 -16.167 19.921 22.221 90 ILE ATOM 3077 CA PRO 79 -18.094 16.716 22.848 91 GLY ATOM 3078 CA ASP 80 -21.848 17.260 23.018 92 ASP ATOM 3079 CA GLY 81 -21.870 21.076 22.562 93 GLU ATOM 3080 CA LEU 82 -15.506 27.452 22.183 97 ARG ATOM 3081 CA GLN 83 -13.525 30.715 21.908 98 PRO ATOM 3082 CA ALA 84 -11.105 30.917 19.033 99 ALA ATOM 3083 CA HIS 85 -7.484 29.840 19.295 100 ILE ATOM 3084 CA HIS 86 -5.060 31.705 17.048 101 LEU ATOM 3085 CA GLU 87 -2.454 29.821 15.044 102 ALA ATOM 3086 CA LEU 88 0.480 30.807 12.914 103 THR ATOM 3087 CA SER 89 1.220 28.018 10.401 104 ASN ATOM 3088 CA THR 90 4.390 28.183 8.299 105 VAL ATOM 3089 CA PHE 91 4.681 26.203 5.030 106 TYR ATOM 3090 CA VAL 92 7.932 25.604 3.188 107 ARG ATOM 3091 CA LYS 93 8.291 24.846 -0.503 108 ARG ATOM 3092 CA ILE 94 10.157 21.769 -1.684 109 GLU ATOM 3093 CA ASP 101 10.970 20.715 -5.257 110 ALA ATOM 3094 CA ALA 102 7.750 18.696 -5.582 111 ASP ATOM 3095 CA SER 103 5.324 20.323 -3.117 112 GLY ATOM 3096 CA TRP 104 4.780 22.002 0.306 113 TRP ATOM 3097 CA TYR 105 5.113 20.877 3.937 114 ARG ATOM 3098 CA LEU 107 7.651 23.424 9.363 115 VAL ATOM 3099 CA ASP 108 5.977 25.294 12.279 116 LEU ATOM 3100 CA PRO 109 2.605 25.533 14.061 117 HIS ATOM 3101 CA THR 110 2.354 28.168 16.831 118 HIS ATOM 3102 CA VAL 111 -1.049 28.211 18.588 119 ALA TER