2 115 (N_temp, Lch) 103 52.480 1 3hlkB1 ATOM 1001 CA ALA 1 -39.902 47.785 43.161 6 ARG ATOM 1002 CA ALA 2 -35.778 45.155 38.951 7 ALA ATOM 1003 CA PRO 3 -32.188 46.369 39.349 8 ALA ATOM 1004 CA THR 4 -30.848 48.495 36.516 9 THR ATOM 1005 CA ALA 5 -27.312 48.781 35.095 10 LEU ATOM 1006 CA THR 6 -25.887 52.076 33.891 11 ILE ATOM 1007 CA VAL 7 -22.634 52.568 31.941 12 LEU ATOM 1008 CA THR 8 -20.777 55.827 31.295 13 GLU ATOM 1009 CA PRO 9 -20.015 56.717 28.616 14 PRO ATOM 1010 CA SER 10 -22.476 54.664 23.624 16 GLY ATOM 1011 CA SER 11 -19.617 53.342 21.482 17 ARG ATOM 1012 CA GLY 12 -16.676 52.395 23.724 18 CYS ATOM 1013 CA LEU 13 -13.209 51.433 22.512 19 CYS ATOM 1014 CA SER 14 -11.214 48.540 23.961 20 TRP ATOM 1015 CA ASP 15 -8.543 50.876 25.448 21 ASP ATOM 1016 CA THR 17 -11.117 53.205 27.015 22 GLU ATOM 1017 CA VAL 18 -12.342 53.183 30.659 23 PRO ATOM 1018 CA VAL 19 -16.015 52.658 31.452 24 VAL ATOM 1019 CA LYS 20 -17.839 53.485 34.688 25 ARG ATOM 1020 CA VAL 21 -20.359 50.802 35.690 26 ILE ATOM 1021 CA ALA 22 -23.129 51.443 38.208 27 ALA ATOM 1022 CA GLY 23 -26.049 49.336 39.424 28 VAL ATOM 1023 CA ALA 24 -29.199 50.902 40.882 29 ARG ATOM 1024 CA GLY 25 -32.333 49.453 42.463 30 GLY ATOM 1025 CA LEU 26 -30.546 47.000 44.759 31 LEU ATOM 1026 CA GLN 27 -31.459 46.678 48.455 32 ALA ATOM 1027 CA ALA 28 -29.554 48.879 50.949 33 PRO ATOM 1028 CA GLY 29 -26.167 47.232 51.681 34 GLU ATOM 1029 CA THR 30 -27.053 44.221 49.481 35 GLN ATOM 1030 CA ALA 31 -24.107 41.816 49.020 36 PRO ATOM 1031 CA TYR 32 -23.643 41.032 45.297 37 VAL ATOM 1032 CA TRP 33 -21.238 39.461 42.827 38 THR ATOM 1033 CA VAL 34 -20.516 40.973 39.405 39 LEU ATOM 1034 CA ALA 35 -19.282 38.660 36.723 40 ARG ATOM 1035 CA GLN 36 -17.867 39.620 33.322 41 ALA ATOM 1036 CA TRP 37 -17.629 37.040 30.502 42 SER ATOM 1037 CA ALA 38 -16.323 37.219 26.997 43 LEU ATOM 1038 CA ARG 39 -15.691 34.785 24.147 44 ARG ATOM 1039 CA VAL 40 -12.896 35.574 21.765 45 ASP ATOM 1040 CA ASP 41 -12.786 34.947 18.005 46 GLU ATOM 1041 CA THR 42 -12.105 31.207 18.513 47 LYS ATOM 1042 CA GLY 43 -14.890 30.802 21.056 48 GLY ATOM 1043 CA TYR 47 -12.589 30.654 24.103 49 ALA ATOM 1044 CA ASN 48 -14.259 31.887 27.298 50 LEU ATOM 1045 CA PRO 49 -12.642 34.556 29.499 51 PHE ATOM 1046 CA ALA 50 -14.167 35.503 32.868 52 GLN ATOM 1047 CA ASP 51 -13.674 37.699 35.928 53 ALA ATOM 1048 CA ASN 52 -15.846 38.177 39.020 54 HIS ATOM 1049 CA SER 53 -15.730 40.282 42.181 55 ALA ATOM 1050 CA SER 54 -17.813 40.629 45.355 56 ARG ATOM 1051 CA VAL 55 -19.330 43.962 46.372 57 TYR ATOM 1052 CA THR 56 -21.923 45.552 48.604 58 ARG ATOM 1053 CA ALA 57 -24.403 48.260 47.505 59 ALA ATOM 1054 CA ASP 58 -24.404 51.498 49.501 60 ASP ATOM 1055 CA ALA 59 -27.314 52.551 51.766 61 THR ATOM 1056 CA ASN 60 -29.225 53.755 48.691 62 LEU ATOM 1057 CA GLY 61 -28.999 50.335 47.059 63 GLY ATOM 1058 CA SER 62 -26.479 51.699 44.567 64 GLU ATOM 1059 CA ALA 63 -23.276 49.981 43.420 65 LEU ATOM 1060 CA SER 64 -20.935 52.319 41.489 66 ASP ATOM 1061 CA THR 65 -17.157 54.655 44.355 69 ARG ATOM 1062 CA SER 66 -17.260 51.134 45.884 70 ALA ATOM 1063 CA LEU 67 -14.313 48.774 46.330 71 PRO ATOM 1064 CA THR 68 -14.274 45.148 45.218 72 ALA ATOM 1065 CA VAL 69 -14.103 42.978 48.328 73 LEU ATOM 1066 CA ARG 70 -12.450 39.966 46.740 74 GLY ATOM 1067 CA ARG 71 -12.701 37.453 43.926 75 GLY ATOM 1068 CA SER 72 -10.550 38.058 40.864 76 SER ATOM 1069 CA PHE 73 -9.320 41.319 42.502 77 PHE ATOM 1070 CA GLU 74 -9.879 43.587 45.492 78 ALA ATOM 1071 CA GLY 75 -9.917 47.362 46.093 79 GLY ATOM 1072 CA PHE 76 -11.249 50.350 44.225 80 LEU ATOM 1073 CA LEU 77 -10.674 49.079 40.692 81 GLU ATOM 1074 CA PHE 78 -13.332 50.278 38.292 82 PRO ATOM 1075 CA GLY 80 -10.842 45.120 37.234 83 GLY ATOM 1076 CA THR 81 -13.673 43.155 35.578 84 LEU ATOM 1077 CA ARG 82 -11.774 43.720 32.322 85 LEU ATOM 1078 CA TRP 83 -8.082 43.530 33.170 86 TRP ATOM 1079 CA GLY 84 -8.542 40.568 35.565 87 ALA ATOM 1080 CA THR 85 -10.213 38.373 32.901 88 LEU ATOM 1081 CA VAL 86 -8.788 34.843 32.920 89 GLU ATOM 1082 CA ASP 87 -9.353 32.049 30.378 90 PRO ATOM 1083 CA CYS 88 -11.545 29.053 31.209 91 GLU ATOM 1084 CA THR 89 -8.969 26.772 29.555 92 LYS ATOM 1085 CA THR 90 -5.367 26.953 30.834 93 PRO ATOM 1086 CA ALA 91 -2.672 28.400 28.497 94 LEU ATOM 1087 CA CYS 93 -5.196 30.217 26.233 95 VAL ATOM 1088 CA GLY 96 -4.218 33.690 24.991 96 ARG ATOM 1089 CA LEU 97 -6.972 36.075 23.906 97 LEU ATOM 1090 CA SER 98 -7.451 36.003 20.093 98 VAL ATOM 1091 CA ASP 99 -8.598 39.318 18.512 99 LYS ATOM 1092 CA ALA 100 -7.639 39.453 14.832 100 ARG ATOM 1093 CA ALA 101 -10.554 41.179 13.075 101 ASP ATOM 1094 CA GLY 102 -10.676 44.832 14.213 102 VAL ATOM 1095 CA ASN 103 -13.894 45.550 12.305 103 ARG ATOM 1096 CA GLY 104 -16.133 43.908 14.951 104 THR ATOM 1097 CA PRO 105 -16.288 44.605 18.719 105 PRO ATOM 1098 CA GLU 106 -15.681 42.118 21.519 106 LEU ATOM 1099 CA GLY 107 -18.893 41.877 23.587 107 ALA ATOM 1100 CA VAL 108 -18.534 41.709 27.373 108 VAL ATOM 1101 CA ALA 109 -21.453 40.064 29.123 109 GLU ATOM 1102 CA ILE 110 -21.999 41.569 32.606 110 LEU ATOM 1103 CA SER 111 -24.067 39.845 35.321 111 GLU TER 99 51.340 2 3k2iA1 ATOM 2001 CA PRO 3 -51.925 -16.122 -5.735 1 ALA ATOM 2002 CA THR 4 -48.562 -14.839 -7.027 2 THR ATOM 2003 CA ALA 5 -45.335 -12.910 -6.215 3 LEU ATOM 2004 CA THR 6 -43.887 -10.454 -8.750 4 ILE ATOM 2005 CA VAL 7 -40.372 -8.897 -8.913 5 LEU ATOM 2006 CA THR 8 -39.845 -6.128 -11.498 6 GLU ATOM 2007 CA PRO 9 -37.847 -5.427 -13.586 7 PRO ATOM 2008 CA GLY 12 -30.170 -7.699 -11.194 8 CYS ATOM 2009 CA LEU 13 -27.640 -6.478 -8.625 9 CYS ATOM 2010 CA SER 14 -27.856 -6.135 -4.831 10 TRP ATOM 2011 CA ASP 15 -27.625 -2.345 -4.984 11 ASN ATOM 2012 CA THR 17 -30.550 -1.910 -7.433 12 GLU ATOM 2013 CA VAL 18 -34.096 -1.070 -6.248 13 PRO ATOM 2014 CA VAL 19 -36.777 -3.565 -7.138 14 VAL ATOM 2015 CA LYS 20 -40.547 -3.548 -7.060 15 ARG ATOM 2016 CA VAL 21 -42.102 -6.390 -5.084 16 ILE ATOM 2017 CA ALA 22 -45.773 -7.093 -5.845 17 ALA ATOM 2018 CA GLY 23 -48.383 -9.682 -4.982 18 VAL ATOM 2019 CA ALA 24 -51.536 -10.465 -7.028 19 ARG ATOM 2020 CA GLY 25 -54.255 -13.026 -6.289 20 GLY ATOM 2021 CA LEU 26 -54.910 -12.319 -2.569 21 LEU ATOM 2022 CA GLN 27 -58.313 -11.946 -0.880 22 ALA ATOM 2023 CA ALA 28 -59.574 -8.381 -0.875 23 PRO ATOM 2024 CA GLY 29 -57.832 -6.574 2.007 24 GLU ATOM 2025 CA THR 30 -56.224 -9.808 3.171 25 GLN ATOM 2026 CA ALA 31 -53.768 -9.595 6.055 26 ARG ATOM 2027 CA TYR 32 -50.422 -11.088 5.017 27 VAL ATOM 2028 CA TRP 33 -46.870 -11.386 6.323 28 THR ATOM 2029 CA VAL 34 -44.010 -11.227 3.833 29 LEU ATOM 2030 CA ALA 35 -40.728 -12.821 4.769 30 ARG ATOM 2031 CA GLN 36 -37.308 -12.703 3.094 31 ALA ATOM 2032 CA TRP 37 -34.405 -14.981 3.816 32 SER ATOM 2033 CA ALA 38 -30.906 -15.873 2.614 33 LEU ATOM 2034 CA ARG 39 -27.935 -17.963 3.670 34 ARG ATOM 2035 CA VAL 40 -24.628 -16.158 3.249 35 ASP ATOM 2036 CA ASP 41 -21.314 -17.768 2.045 36 GLU ATOM 2037 CA TRP 45 -20.593 -19.522 5.354 37 LYS ATOM 2038 CA ALA 46 -24.182 -20.747 5.704 38 GLY ATOM 2039 CA TYR 47 -25.340 -18.066 8.162 39 ALA ATOM 2040 CA ASN 48 -29.053 -17.173 7.909 40 LEU ATOM 2041 CA PRO 49 -30.376 -13.623 7.323 41 PHE ATOM 2042 CA ALA 50 -34.085 -12.822 7.594 42 ARG ATOM 2043 CA ASP 51 -36.648 -10.000 7.675 43 ALA ATOM 2044 CA ASN 52 -40.395 -9.768 7.631 44 HIS ATOM 2045 CA SER 53 -43.220 -7.286 7.461 45 ALA ATOM 2046 CA SER 54 -46.990 -7.274 7.808 46 ARG ATOM 2047 CA VAL 55 -49.348 -5.896 5.246 47 TYR ATOM 2048 CA THR 56 -52.901 -5.563 3.966 48 CYS ATOM 2049 CA ALA 57 -53.851 -6.225 0.333 49 ALA ATOM 2050 CA ASP 58 -55.964 -3.567 -1.441 50 ASP ATOM 2051 CA ALA 59 -59.571 -4.074 -2.771 51 ALA ATOM 2052 CA ASN 60 -58.422 -5.950 -5.929 52 CYS ATOM 2053 CA GLY 61 -56.497 -8.412 -3.655 53 GLY ATOM 2054 CA SER 62 -53.217 -6.820 -4.805 54 GLU ATOM 2055 CA ALA 63 -50.206 -5.690 -2.744 55 LEU ATOM 2056 CA SER 64 -47.602 -3.324 -4.053 56 ASP ATOM 2057 CA THR 65 -47.306 2.037 -2.444 59 ARG ATOM 2058 CA SER 66 -48.468 -0.014 0.559 60 ALA ATOM 2059 CA LEU 67 -46.795 0.582 3.940 61 PRO ATOM 2060 CA THR 68 -45.564 -2.171 6.252 62 ALA ATOM 2061 CA VAL 69 -47.708 -2.097 9.391 63 LEU ATOM 2062 CA ARG 70 -45.002 -3.778 11.445 64 GLY ATOM 2063 CA ARG 71 -42.223 -6.349 11.380 65 GLY ATOM 2064 CA SER 72 -38.489 -5.801 10.931 66 SER ATOM 2065 CA PHE 73 -39.495 -2.273 9.863 67 PHE ATOM 2066 CA GLU 74 -42.673 -0.264 9.337 68 ALA ATOM 2067 CA GLY 75 -43.791 2.460 6.957 69 GLY ATOM 2068 CA PHE 76 -43.359 2.931 3.213 70 LEU ATOM 2069 CA LEU 77 -40.114 0.995 2.647 71 GLU ATOM 2070 CA PHE 78 -40.096 -0.799 -0.766 72 PRO ATOM 2071 CA ASP 79 -36.638 -2.254 -0.214 73 MET ATOM 2072 CA GLY 80 -37.034 -3.026 3.524 74 GLY ATOM 2073 CA THR 81 -37.203 -6.762 3.159 75 LEU ATOM 2074 CA ARG 82 -33.623 -6.503 1.878 76 LEU ATOM 2075 CA TRP 83 -32.066 -3.684 3.790 77 TRP ATOM 2076 CA GLY 84 -33.587 -4.808 7.156 78 ALA ATOM 2077 CA THR 85 -32.265 -8.352 6.918 79 LEU ATOM 2078 CA VAL 86 -30.727 -9.441 10.281 80 GLU ATOM 2079 CA ASP 87 -28.567 -12.490 10.995 81 PRO ATOM 2080 CA CYS 88 -29.634 -15.283 13.374 82 GLU ATOM 2081 CA THR 89 -26.078 -15.357 14.783 83 LYS ATOM 2082 CA THR 90 -25.277 -12.222 16.749 84 PRO ATOM 2083 CA ALA 91 -22.367 -9.981 15.727 85 PHE ATOM 2084 CA ALA 92 -22.416 -11.554 12.247 86 TRP ATOM 2085 CA GLY 96 -21.822 -9.144 9.397 87 ARG ATOM 2086 CA LEU 97 -23.337 -9.191 5.909 88 PHE ATOM 2087 CA SER 98 -20.466 -9.401 3.443 89 LEU ATOM 2088 CA ASP 99 -19.707 -10.770 0.008 90 LYS ATOM 2089 CA ALA 100 -16.374 -12.520 -0.468 91 ARG ATOM 2090 CA ALA 101 -17.062 -14.270 -3.803 92 ASP ATOM 2091 CA GLY 102 -18.457 -11.689 -6.143 93 VAL ATOM 2092 CA ASN 103 -19.023 -14.150 -8.996 94 GLN ATOM 2093 CA GLY 104 -21.651 -16.176 -7.047 95 ILE ATOM 2094 CA GLY 107 -24.988 -14.469 -6.222 96 PRO ATOM 2095 CA VAL 108 -27.122 -14.638 -3.088 97 PHE ATOM 2096 CA ALA 109 -30.498 -16.335 -3.502 98 VAL ATOM 2097 CA ILE 110 -33.263 -14.504 -1.616 99 VAL ATOM 2098 CA SER 111 -36.211 -16.689 -0.645 100 GLU ATOM 2099 CA PHE 112 -39.385 -14.519 -0.602 101 LEU TER