3 119 (N_temp, Lch) 88 40.900 1 3hhrB ATOM 1001 CA ASN 13 52.406 11.989 53.383 1 GLU ATOM 1002 CA LYS 14 50.686 14.878 51.463 2 PRO ATOM 1003 CA THR 15 49.594 14.081 47.939 3 LYS ATOM 1004 CA PHE 16 48.314 15.960 44.865 4 PHE ATOM 1005 CA LEU 17 44.651 15.735 44.009 5 THR ATOM 1006 CA ARG 18 43.998 17.959 40.999 6 LYS ATOM 1007 CA CYS 19 45.237 21.036 39.217 7 CYS ATOM 1008 CA GLU 20 42.553 22.746 37.027 8 ARG ATOM 1009 CA ALA 21 42.263 25.811 34.715 9 SER ATOM 1010 CA LYS 22 38.665 27.094 34.691 10 PRO ATOM 1011 CA ASN 23 38.886 29.623 31.902 11 GLU ATOM 1012 CA TYR 24 42.277 28.899 30.336 12 ARG ATOM 1013 CA GLY 26 43.674 31.960 32.034 13 GLU ATOM 1014 CA ARG 27 44.386 31.125 35.734 14 THR ATOM 1015 CA PHE 28 44.933 27.726 37.422 15 PHE ATOM 1016 CA THR 29 45.396 26.019 40.741 16 SER ATOM 1017 CA CYS 30 46.918 22.911 42.262 17 CYS ATOM 1018 CA TRP 31 45.451 21.215 45.259 18 HIS ATOM 1019 CA TRP 32 46.816 18.662 47.682 19 TRP ATOM 1020 CA LEU 33 45.936 16.696 50.848 20 THR ATOM 1021 CA THR 34 47.150 17.231 54.482 21 ASP ATOM 1022 CA THR 35 49.042 14.159 55.681 22 GLU ATOM 1023 CA ILE 36 52.035 15.175 57.837 23 VAL ATOM 1024 CA SER 37 50.400 18.188 59.534 24 HIS ATOM 1025 CA THR 38 56.568 19.130 58.661 25 GLY ATOM 1026 CA ASP 39 55.712 22.128 56.292 26 PRO ATOM 1027 CA LEU 40 54.116 21.357 52.977 27 ILE ATOM 1028 CA THR 41 55.243 23.744 50.247 28 GLN ATOM 1029 CA PHE 42 54.798 23.912 46.506 29 LEU ATOM 1030 CA SER 43 57.477 24.670 44.008 30 PHE ATOM 1031 CA VAL 44 56.944 25.177 40.286 31 TYR ATOM 1032 CA LYS 45 58.978 25.705 37.057 32 THR ATOM 1033 CA SER 46 58.019 26.285 33.316 33 ARG ATOM 1034 CA SER 47 59.793 26.122 29.885 34 ARG ATOM 1035 CA ARG 48 59.167 29.750 28.963 35 ASN ATOM 1036 CA GLY 49 66.158 28.353 33.662 36 GLU ATOM 1037 CA SER 50 63.489 25.660 33.234 37 TRP ATOM 1038 CA ASP 52 64.205 22.460 35.346 38 THR ATOM 1039 CA PRO 53 66.719 24.310 37.575 39 GLN ATOM 1040 CA GLN 54 64.957 27.592 38.396 40 GLU ATOM 1041 CA GLY 55 62.482 26.331 40.890 41 TRP ATOM 1042 CA VAL 56 60.206 28.909 42.409 42 LYS ATOM 1043 CA THR 57 57.637 28.639 45.247 43 GLU ATOM 1044 CA CYS 58 53.876 28.959 44.949 44 CYS ATOM 1045 CA GLY 59 53.113 32.630 44.183 45 PRO ATOM 1046 CA ALA 60 49.807 32.612 46.186 46 ASP ATOM 1047 CA ALA 61 48.961 30.163 49.021 47 TYR ATOM 1048 CA THR 62 45.794 31.967 50.354 48 VAL ATOM 1049 CA LEU 63 43.731 32.923 47.268 49 SER ATOM 1050 CA ARG 69 42.545 29.515 46.095 50 ALA ATOM 1051 CA ASN 70 41.597 28.379 49.674 51 GLY ATOM 1052 CA SER 76 43.462 25.845 51.888 52 GLU ATOM 1053 CA VAL 77 45.895 23.178 50.661 53 ASN ATOM 1054 CA GLU 78 46.192 24.977 47.397 54 SER ATOM 1055 CA CYS 79 48.556 26.971 45.182 55 CYS ATOM 1056 CA GLN 80 47.041 33.983 38.482 58 ASN ATOM 1057 CA GLU 81 46.703 35.618 35.118 59 SER ATOM 1058 CA ASP 82 50.336 36.711 35.133 60 SER ATOM 1059 CA SER 83 51.906 33.346 36.103 61 PHE ATOM 1060 CA ALA 84 49.980 31.344 33.504 62 THR ATOM 1061 CA CYS 85 50.871 30.408 29.977 63 SER ATOM 1062 CA PRO 86 49.258 27.793 27.767 64 ILE ATOM 1063 CA ALA 87 51.050 25.473 25.375 65 TRP ATOM 1064 CA LEU 92 54.148 25.612 27.744 66 ILE ATOM 1065 CA PRO 93 54.980 22.516 30.026 67 PRO ATOM 1066 CA ILE 94 54.818 23.211 33.803 68 TYR ATOM 1067 CA GLU 95 56.376 21.009 36.465 69 CYS ATOM 1068 CA VAL 96 55.156 21.028 39.984 70 ILE ATOM 1069 CA MET 97 56.751 19.604 43.133 71 LYS ATOM 1070 CA VAL 98 55.278 19.256 46.623 72 LEU ATOM 1071 CA ASP 99 57.535 19.328 49.740 73 THR ATOM 1072 CA ALA 100 56.953 18.172 53.351 74 SER ATOM 1073 CA VAL 101 59.563 19.658 55.575 75 ASN ATOM 1074 CA HIS 102 61.654 19.934 52.441 76 GLY ATOM 1075 CA TYR 106 61.346 16.346 51.154 77 GLY ATOM 1076 CA GLU 107 59.441 15.450 47.939 78 THR ATOM 1077 CA GLN 108 56.340 13.332 47.957 79 VAL ATOM 1078 CA TYR 109 54.970 14.272 44.582 80 ASP ATOM 1079 CA THR 110 56.351 15.668 41.367 81 GLU ATOM 1080 CA SER 111 53.876 16.353 38.463 82 LYS ATOM 1081 CA SER 112 54.217 17.803 34.932 83 CYS ATOM 1082 CA PHE 113 51.495 19.057 32.609 84 PHE ATOM 1083 CA PHE 114 50.497 22.029 30.411 85 SER ATOM 1084 CA ILE 115 47.614 24.394 31.124 86 VAL ATOM 1085 CA ARG 116 45.886 23.923 27.787 87 ASP ATOM 1086 CA ASP 117 45.703 20.271 28.952 88 GLU ATOM 1087 CA ILE 118 44.179 21.101 32.316 89 ILE ATOM 1088 CA ILE 119 41.040 23.097 31.292 90 VAL TER 94 44.430 2 1n26A2 ATOM 2001 CA GLN 11 25.037 47.282 57.324 2 PRO ATOM 2002 CA LYS 12 23.840 47.513 60.928 3 PRO ATOM 2003 CA ASN 13 22.740 44.520 62.912 4 GLU ATOM 2004 CA LYS 14 19.001 44.769 63.695 5 GLU ATOM 2005 CA THR 15 18.776 46.244 67.117 6 PRO ATOM 2006 CA PHE 16 17.338 44.130 69.974 7 GLN ATOM 2007 CA LEU 17 15.962 46.758 72.304 8 LEU ATOM 2008 CA ARG 18 15.838 46.390 76.048 9 SER ATOM 2009 CA CYS 19 14.124 49.243 77.897 10 CYS ATOM 2010 CA GLU 20 13.997 49.517 81.717 11 PHE ATOM 2011 CA ALA 21 13.707 51.740 84.763 12 ARG ATOM 2012 CA LYS 22 15.424 51.063 88.126 13 LYS ATOM 2013 CA ASN 23 13.703 53.748 90.325 14 SER ATOM 2014 CA TYR 24 10.545 55.907 90.009 15 PRO ATOM 2015 CA SER 25 12.541 59.088 89.392 16 LEU ATOM 2016 CA GLY 26 15.363 57.908 87.132 17 SER ATOM 2017 CA ARG 27 14.917 57.966 83.377 18 ASN ATOM 2018 CA PHE 28 13.720 55.109 81.268 19 VAL ATOM 2019 CA THR 29 16.816 53.622 79.700 20 VAL ATOM 2020 CA CYS 30 16.662 51.821 76.383 21 CYS ATOM 2021 CA TRP 31 19.663 49.875 75.164 22 GLU ATOM 2022 CA TRP 32 21.038 47.263 72.775 23 TRP ATOM 2023 CA LEU 33 24.505 45.811 72.794 24 GLY ATOM 2024 CA THR 34 25.541 44.834 69.220 25 PRO ATOM 2025 CA THR 35 27.131 41.392 68.738 26 ARG ATOM 2026 CA ILE 36 30.145 43.259 67.258 27 SER ATOM 2027 CA SER 37 29.563 55.979 61.186 32 THR ATOM 2028 CA THR 38 26.841 53.895 62.937 33 THR ATOM 2029 CA ASP 39 24.377 56.066 64.880 34 LYS ATOM 2030 CA LEU 40 21.293 55.032 66.840 35 ALA ATOM 2031 CA THR 41 18.290 57.007 67.929 36 VAL ATOM 2032 CA PHE 42 15.187 56.178 69.845 37 LEU ATOM 2033 CA SER 43 11.936 56.745 67.943 38 LEU ATOM 2034 CA VAL 44 9.200 57.500 70.487 39 VAL ATOM 2035 CA SER 47 5.421 57.540 69.994 40 ARG ATOM 2036 CA ARG 48 3.556 58.854 73.017 41 LYS ATOM 2037 CA GLY 49 -0.201 58.405 73.477 42 PHE ATOM 2038 CA SER 50 -1.266 60.860 76.214 43 GLN ATOM 2039 CA SER 51 0.010 60.722 69.615 47 ALA ATOM 2040 CA ASP 52 3.154 62.847 69.704 48 GLU ATOM 2041 CA PRO 53 6.248 61.485 67.929 49 ASP ATOM 2042 CA GLN 54 9.831 62.401 68.752 50 PHE ATOM 2043 CA GLY 55 13.419 61.248 69.123 51 GLN ATOM 2044 CA VAL 56 15.927 60.795 71.857 52 GLU ATOM 2045 CA THR 57 19.586 60.412 70.972 53 PRO ATOM 2046 CA CYS 58 21.569 57.290 71.887 54 CYS ATOM 2047 CA GLY 59 25.191 57.163 72.814 55 GLN ATOM 2048 CA ALA 60 27.552 54.331 72.168 56 TYR ATOM 2049 CA ALA 61 29.315 53.370 75.312 57 SER ATOM 2050 CA THR 62 32.814 52.100 74.723 58 GLN ATOM 2051 CA ARG 69 32.780 50.729 78.285 59 GLU ATOM 2052 CA ASN 70 29.539 48.700 78.075 60 SER ATOM 2053 CA TYR 75 29.761 48.201 74.290 61 GLN ATOM 2054 CA SER 76 26.034 49.203 74.047 62 LYS ATOM 2055 CA VAL 77 23.869 51.862 72.458 63 PHE ATOM 2056 CA GLU 78 21.954 53.615 75.251 64 SER ATOM 2057 CA CYS 79 19.204 56.231 75.303 65 CYS ATOM 2058 CA GLN 80 17.089 57.893 77.902 66 GLN ATOM 2059 CA GLU 81 13.519 58.928 77.946 67 LEU ATOM 2060 CA ASP 82 12.249 61.189 80.740 68 ALA ATOM 2061 CA SER 83 8.908 59.908 82.001 69 VAL ATOM 2062 CA PRO 86 7.353 62.303 84.563 70 PRO ATOM 2063 CA ALA 87 6.011 60.617 87.677 71 GLU ATOM 2064 CA ALA 88 2.391 59.448 87.650 72 GLY ATOM 2065 CA GLU 89 2.538 59.544 83.831 73 ASP ATOM 2066 CA SER 91 -0.327 57.388 82.477 74 SER ATOM 2067 CA LEU 92 0.754 57.786 78.869 75 SER ATOM 2068 CA PRO 93 1.661 54.741 76.863 76 PHE ATOM 2069 CA ILE 94 4.833 54.730 74.940 77 TYR ATOM 2070 CA GLU 95 5.891 52.830 71.902 78 ILE ATOM 2071 CA VAL 96 9.652 52.770 71.330 79 VAL ATOM 2072 CA MET 97 11.902 51.398 68.654 80 SER ATOM 2073 CA VAL 98 15.592 51.943 68.036 81 MET ATOM 2074 CA ASP 99 16.793 52.869 64.627 82 CYS ATOM 2075 CA ALA 100 20.465 52.178 63.865 83 VAL ATOM 2076 CA VAL 101 22.021 53.404 60.648 84 ALA ATOM 2077 CA HIS 102 25.376 53.417 58.951 85 SER ATOM 2078 CA LYS 103 26.135 54.978 55.543 86 SER ATOM 2079 CA LEU 104 21.866 50.768 55.655 88 GLY ATOM 2080 CA LYS 105 19.629 51.105 58.656 89 SER ATOM 2081 CA TYR 106 17.541 48.853 60.821 90 LYS ATOM 2082 CA GLU 107 14.900 49.313 63.451 91 PHE ATOM 2083 CA GLN 108 14.070 47.057 66.266 92 SER ATOM 2084 CA TYR 109 10.819 45.473 67.198 93 LYS ATOM 2085 CA THR 110 8.733 47.856 69.256 94 THR ATOM 2086 CA SER 111 8.829 48.085 73.035 95 GLN ATOM 2087 CA SER 112 5.477 49.300 74.580 96 THR ATOM 2088 CA PHE 113 4.653 50.405 78.097 97 PHE ATOM 2089 CA PHE 114 2.682 52.724 80.326 98 GLN ATOM 2090 CA ILE 115 4.891 55.387 81.847 99 GLY ATOM 2091 CA ARG 116 4.139 54.025 85.321 100 CYS ATOM 2092 CA ASP 117 4.530 50.304 84.694 101 GLY ATOM 2093 CA ILE 118 8.012 49.687 83.366 102 ILE ATOM 2094 CA ILE 119 9.706 50.199 86.744 103 LEU TER 98 32.380 3 4rs1B2 ATOM 3001 CA LYS 9 -13.509 -19.998 -21.952 4 ARG ATOM 3002 CA ASP 10 -11.400 -17.157 -20.573 5 GLU ATOM 3003 CA GLN 11 -9.494 -17.392 -17.281 6 GLY ATOM 3004 CA LYS 12 -9.244 -21.153 -17.758 7 THR ATOM 3005 CA ASN 13 -5.593 -21.380 -18.833 8 ALA ATOM 3006 CA LYS 14 -2.645 -21.627 -16.480 9 ALA ATOM 3007 CA THR 15 -1.630 -18.315 -14.890 10 GLN ATOM 3008 CA PHE 16 1.564 -16.828 -13.430 11 ASN ATOM 3009 CA LEU 17 3.688 -19.180 -15.503 12 PHE ATOM 3010 CA ARG 18 7.390 -19.078 -14.824 13 SER ATOM 3011 CA CYS 19 10.534 -21.142 -14.989 14 CYS ATOM 3012 CA GLU 20 13.925 -20.896 -13.401 15 PHE ATOM 3013 CA ALA 21 17.133 -22.794 -13.977 16 ILE ATOM 3014 CA LYS 22 18.833 -23.493 -10.662 17 TYR ATOM 3015 CA ASN 23 22.005 -24.976 -9.336 18 ASN ATOM 3016 CA TYR 24 23.572 -25.337 -12.737 19 ALA ATOM 3017 CA GLY 26 21.848 -28.482 -13.857 20 ASP ATOM 3018 CA ARG 27 18.148 -28.323 -12.923 21 LEU ATOM 3019 CA PHE 28 15.037 -26.544 -14.121 22 MET ATOM 3020 CA THR 29 11.719 -25.786 -12.433 23 ASN ATOM 3021 CA CYS 30 8.517 -24.540 -14.060 24 CYS ATOM 3022 CA TRP 31 5.370 -23.572 -12.196 25 THR ATOM 3023 CA TRP 32 1.922 -22.024 -12.772 26 TRP ATOM 3024 CA LEU 33 -1.492 -21.667 -11.185 27 ALA ATOM 3025 CA THR 34 -5.009 -22.647 -12.158 28 ARG ATOM 3026 CA THR 35 -7.177 -20.214 -14.069 29 GLY ATOM 3027 CA ILE 36 -9.641 -18.216 -11.918 30 PRO ATOM 3028 CA SER 37 -12.501 -19.494 -14.058 31 THR ATOM 3029 CA THR 38 -11.893 -27.953 -10.226 34 ARG ATOM 3030 CA ASP 39 -11.407 -31.029 -12.424 35 ASP ATOM 3031 CA LEU 40 -9.108 -29.102 -14.789 36 VAL ATOM 3032 CA THR 41 -5.846 -30.813 -15.650 37 GLN ATOM 3033 CA PHE 42 -2.821 -29.056 -17.141 38 TYR ATOM 3034 CA SER 43 0.065 -30.427 -19.236 39 PHE ATOM 3035 CA VAL 44 3.516 -29.095 -20.223 40 LEU ATOM 3036 CA LYS 45 5.337 -29.273 -23.549 41 TYR ATOM 3037 CA SER 46 8.738 -27.815 -24.452 42 ILE ATOM 3038 CA SER 47 10.303 -27.345 -27.861 43 ARG ATOM 3039 CA ARG 48 13.063 -25.289 -29.452 44 ASN ATOM 3040 CA GLY 49 15.335 -24.862 -32.412 45 SER ATOM 3041 CA SER 50 17.029 -28.139 -33.408 46 LYS ATOM 3042 CA ASP 52 14.886 -30.278 -31.128 47 ARG ATOM 3043 CA PRO 53 11.947 -29.405 -33.383 48 ARG ATOM 3044 CA GLN 54 9.857 -32.020 -31.540 49 ARG ATOM 3045 CA GLY 55 7.868 -31.282 -28.365 50 GLU ATOM 3046 CA VAL 56 9.145 -32.839 -25.130 51 ILE ATOM 3047 CA THR 57 6.643 -33.830 -22.475 52 ARG ATOM 3048 CA CYS 58 7.425 -32.668 -18.963 53 CYS ATOM 3049 CA GLY 59 9.321 -35.596 -17.433 54 PRO ATOM 3050 CA ALA 60 8.065 -34.845 -13.932 55 TYR ATOM 3051 CA ALA 61 4.955 -32.936 -12.785 56 TYR ATOM 3052 CA THR 62 4.613 -30.895 -9.576 57 ILE ATOM 3053 CA VAL 68 1.139 -31.675 -8.235 58 GLN ATOM 3054 CA ARG 69 -1.309 -29.803 -6.019 59 ASP ATOM 3055 CA ASN 70 -1.831 -32.376 -4.935 60 SER ATOM 3056 CA GLU 74 -3.330 -34.148 -7.928 61 GLY ATOM 3057 CA TYR 75 -3.517 -31.077 -10.157 62 THR ATOM 3058 CA SER 76 -0.442 -30.345 -12.349 63 HIS ATOM 3059 CA VAL 77 0.878 -26.958 -11.246 64 VAL ATOM 3060 CA GLU 78 4.545 -27.243 -12.244 65 GLY ATOM 3061 CA CYS 79 7.351 -29.406 -13.721 66 CYS ATOM 3062 CA GLN 80 10.850 -30.457 -12.635 67 HIS ATOM 3063 CA GLU 81 13.589 -31.418 -15.095 68 LEU ATOM 3064 CA ASP 82 16.869 -32.943 -13.998 69 ASP ATOM 3065 CA SER 83 18.214 -32.968 -17.554 70 ASN ATOM 3066 CA ALA 84 18.459 -29.805 -19.575 71 LEU ATOM 3067 CA CYS 85 20.280 -31.406 -22.474 72 SER ATOM 3068 CA PRO 86 17.438 -30.872 -24.916 73 GLY ATOM 3069 CA ALA 87 17.327 -27.150 -24.269 74 LEU ATOM 3070 CA ALA 88 18.540 -24.349 -26.496 75 THR ATOM 3071 CA GLU 89 19.058 -20.672 -25.756 76 SER ATOM 3072 CA PRO 93 15.404 -19.696 -26.313 77 ARG ATOM 3073 CA ILE 94 12.644 -22.218 -25.748 78 ASN ATOM 3074 CA GLU 95 8.956 -22.517 -26.509 79 TYR ATOM 3075 CA VAL 96 6.838 -23.558 -23.519 80 PHE ATOM 3076 CA MET 97 3.272 -24.626 -23.986 81 LEU ATOM 3077 CA VAL 98 0.800 -25.367 -21.171 82 VAL ATOM 3078 CA ASP 99 -2.290 -27.356 -22.245 83 ASN ATOM 3079 CA ALA 100 -5.508 -28.094 -20.320 84 GLY ATOM 3080 CA VAL 101 -8.509 -30.377 -20.159 85 THR ATOM 3081 CA HIS 102 -11.708 -30.849 -18.173 86 SER ATOM 3082 CA LYS 103 -17.093 -29.868 -18.841 88 GLU ATOM 3083 CA LEU 104 -15.296 -26.625 -19.613 89 ILE ATOM 3084 CA LYS 105 -13.063 -26.050 -22.619 90 GLY ATOM 3085 CA TYR 106 -9.612 -25.116 -21.389 91 ILE ATOM 3086 CA GLU 107 -7.245 -22.646 -22.992 92 GLN ATOM 3087 CA GLN 108 -3.533 -23.092 -23.461 93 PHE ATOM 3088 CA TYR 109 -0.863 -20.648 -22.472 94 PHE ATOM 3089 CA THR 110 2.441 -20.388 -24.297 95 ASP ATOM 3090 CA SER 111 5.665 -18.509 -23.850 96 SER ATOM 3091 CA SER 112 9.151 -18.115 -25.218 97 LEU ATOM 3092 CA PHE 113 11.581 -18.266 -22.317 98 LEU ATOM 3093 CA PHE 114 15.199 -17.160 -22.473 99 ASP ATOM 3094 CA ILE 115 17.812 -19.166 -20.622 100 THR ATOM 3095 CA ARG 116 19.837 -15.981 -19.993 101 LYS ATOM 3096 CA ASP 117 16.798 -14.576 -18.321 102 LYS ATOM 3097 CA ILE 118 15.825 -17.451 -16.071 103 ILE ATOM 3098 CA ILE 119 19.004 -18.910 -14.670 104 GLU TER