3 101 (N_temp, Lch) 89 56.450 1 3hjlA3 ATOM 1001 CA PHE 2 -5.969 46.854 65.292 17 LYS ATOM 1002 CA VAL 3 -2.320 47.819 64.687 18 ILE ATOM 1003 CA PHE 4 -1.543 48.105 68.419 19 LEU ATOM 1004 CA GLU 5 -3.220 44.693 69.045 20 LYS ATOM 1005 CA ASP 6 -0.746 43.137 66.565 21 GLU ATOM 1006 CA ILE 7 2.074 44.868 68.493 22 ILE ATOM 1007 CA LEU 8 0.640 43.382 71.723 23 GLU ATOM 1008 CA LYS 9 1.088 39.868 70.248 24 LYS ATOM 1009 CA LEU 10 4.823 40.438 69.679 25 VAL ATOM 1010 CA ASP 11 7.278 39.161 72.310 26 ASP ATOM 1011 CA ASP 12 8.281 42.131 74.555 27 SER ATOM 1012 CA ARG 13 11.986 41.181 74.248 28 ARG ATOM 1013 CA SER 14 11.687 41.732 70.480 29 ILE ATOM 1014 CA ILE 15 9.843 45.054 70.973 30 LEU ATOM 1015 CA GLN 16 12.416 46.204 73.606 31 ALA ATOM 1016 CA LEU 17 15.252 45.236 71.221 32 SER ATOM 1017 CA VAL 18 13.718 47.194 68.299 33 LEU ATOM 1018 CA LEU 19 12.959 50.222 70.529 34 LEU ATOM 1019 CA ARG 20 16.165 50.630 72.607 35 LYS ATOM 1020 CA GLU 21 18.192 52.703 70.095 36 ASN ATOM 1021 CA VAL 22 15.172 54.928 69.373 37 GLU ATOM 1022 CA ASP 23 14.954 58.411 70.908 38 HIS ATOM 1023 CA THR 24 13.556 58.161 74.520 39 PRO ATOM 1024 CA ARG 25 10.613 60.476 73.619 40 GLN ATOM 1025 CA ASP 26 9.711 58.081 70.756 41 THR ATOM 1026 CA LEU 27 9.768 55.087 73.154 42 ILE ATOM 1027 CA ALA 28 7.591 57.043 75.645 43 ALA ATOM 1028 CA LEU 29 5.072 58.063 72.959 44 LEU ATOM 1029 CA ALA 30 4.846 54.400 71.811 45 PHE ATOM 1030 CA LEU 31 4.548 52.927 75.329 46 LEU ATOM 1031 CA LYS 32 1.917 55.565 76.302 47 SER ATOM 1032 CA GLY 33 -0.521 53.809 73.887 48 GLN ATOM 1033 CA ALA 34 0.096 50.207 75.041 49 LEU ATOM 1034 CA SER 35 -1.546 48.302 77.892 50 SER ATOM 1035 CA ASP 36 0.182 48.894 81.305 51 PRO ATOM 1036 CA GLU 37 1.384 45.275 81.409 52 LYS ATOM 1037 CA LEU 38 2.877 45.414 77.872 53 LYS ATOM 1038 CA LYS 39 4.661 48.694 78.549 54 SER ATOM 1039 CA GLU 40 5.896 47.211 81.864 55 ALA ATOM 1040 CA LYS 41 7.279 44.076 80.117 56 GLU ATOM 1041 CA ILE 42 9.068 46.213 77.505 57 ILE ATOM 1042 CA PHE 43 10.462 48.541 80.192 58 ILE ATOM 1043 CA LYS 44 11.878 45.549 82.125 59 GLN ATOM 1044 CA ASN 45 13.807 44.422 78.985 60 ASN ATOM 1045 CA MET 46 15.329 47.914 78.366 61 LEU ATOM 1046 CA SER 47 18.611 49.161 79.961 62 PRO ATOM 1047 CA LYS 48 18.350 50.740 83.456 63 GLU ATOM 1048 CA ARG 49 18.944 54.430 82.618 64 GLU ATOM 1049 CA ALA 50 16.497 54.085 79.691 65 LEU ATOM 1050 CA ALA 51 13.760 52.639 82.016 66 LYS ATOM 1051 CA ALA 52 13.884 55.811 84.118 67 LYS ATOM 1052 CA LEU 53 14.067 58.212 81.150 68 GLU ATOM 1053 CA LEU 54 11.151 56.630 79.247 69 VAL ATOM 1054 CA LYS 55 8.888 56.603 82.351 70 VAL ATOM 1055 CA ASP 56 9.830 60.244 83.138 71 LYS ATOM 1056 CA GLU 57 8.946 61.238 79.564 72 ARG ATOM 1057 CA LEU 58 5.683 59.272 79.734 73 ILE ATOM 1058 CA GLU 59 4.969 61.216 82.970 74 ALA ATOM 1059 CA TYR 60 5.446 64.582 81.235 75 THR ATOM 1060 CA MET 61 3.136 63.736 78.263 76 LEU ATOM 1061 CA GLY 62 0.049 65.921 77.930 77 GLU ATOM 1062 CA PRO 63 -0.756 64.929 74.309 78 ASN ATOM 1063 CA VAL 64 -0.035 62.142 71.813 79 VAL ATOM 1064 CA ARG 65 -0.688 62.123 68.038 80 ASN ATOM 1065 CA LEU 66 -2.364 58.757 67.326 81 VAL ATOM 1066 CA LYS 67 -1.358 58.640 63.638 82 GLN ATOM 1067 CA ASP 68 2.319 59.214 64.495 83 TYR ATOM 1068 CA VAL 69 2.321 56.283 66.934 84 VAL ATOM 1069 CA GLU 70 0.318 54.105 64.490 85 LYS ATOM 1070 CA GLU 71 2.956 54.783 61.823 86 GLU ATOM 1071 CA ALA 72 5.720 53.975 64.391 87 LEU ATOM 1072 CA GLN 73 3.930 50.675 65.122 88 ALA ATOM 1073 CA GLN 74 3.524 49.764 61.429 89 GLN ATOM 1074 CA LYS 75 7.260 50.436 60.767 90 ILE ATOM 1075 CA ILE 76 8.018 48.183 63.771 91 LEU ATOM 1076 CA ILE 77 5.753 45.417 62.305 92 LEU ATOM 1077 CA ASN 78 7.511 45.679 58.919 93 GLU ATOM 1078 CA ILE 79 10.914 45.551 60.646 94 GLU ATOM 1079 CA ILE 80 9.840 42.341 62.442 95 ILE ATOM 1080 CA ARG 81 8.689 40.925 59.087 96 SER ATOM 1081 CA ARG 82 12.072 41.974 57.592 97 SER ATOM 1082 CA LEU 83 14.069 40.366 60.425 98 LEU ATOM 1083 CA GLU 84 12.002 37.162 59.978 99 GLY ATOM 1084 CA GLU 85 13.048 37.001 56.289 100 ALA ATOM 1085 CA ALA 86 16.712 37.445 57.301 101 LYS ATOM 1086 CA GLY 87 16.286 34.715 59.950 102 GLU ATOM 1087 CA GLU 88 14.769 32.338 57.328 103 ALA ATOM 1088 CA ILE 89 16.734 30.101 54.954 104 LEU ATOM 1089 CA VAL 90 16.567 31.584 51.435 105 LYS TER 67 23.600 2 5xpqA ATOM 2001 CA ALA 34 152.961 66.246 369.272 3 PRO ATOM 2002 CA SER 35 150.030 64.237 367.891 4 LEU ATOM 2003 CA ASP 36 149.816 66.353 364.730 5 TYR ATOM 2004 CA GLU 37 153.597 66.019 364.413 6 LYS ATOM 2005 CA LEU 38 153.114 62.259 364.046 7 LEU ATOM 2006 CA LYS 39 150.452 62.820 361.380 8 LYS ATOM 2007 CA GLU 40 152.842 65.022 359.398 9 ALA ATOM 2008 CA LYS 41 155.705 62.562 359.892 10 GLU ATOM 2009 CA ILE 42 153.405 59.806 358.616 11 PHE ATOM 2010 CA PHE 43 152.789 61.600 355.314 12 PHE ATOM 2011 CA LYS 44 156.447 62.659 355.175 13 LYS ATOM 2012 CA ASN 45 157.493 58.995 355.197 14 THR ATOM 2013 CA MET 46 155.408 58.436 352.046 15 LEU ATOM 2014 CA SER 47 156.778 61.558 350.299 16 ALA ATOM 2015 CA LYS 48 159.611 59.731 348.525 17 HIS ATOM 2016 CA ARG 49 159.469 58.381 344.947 18 PRO ATOM 2017 CA ALA 50 161.422 55.244 345.857 19 ALA ATOM 2018 CA ALA 51 159.215 54.421 348.849 20 ARG ATOM 2019 CA ALA 52 156.027 54.904 346.816 21 ILE ATOM 2020 CA LEU 53 157.088 52.442 344.111 22 ARG ATOM 2021 CA LEU 54 158.003 49.892 346.795 23 ILE ATOM 2022 CA LYS 55 154.503 50.167 348.265 24 LEU ATOM 2023 CA ASP 56 152.915 49.867 344.816 25 GLU ATOM 2024 CA GLU 57 154.836 46.668 344.062 26 LEU ATOM 2025 CA LEU 58 153.950 45.212 347.471 27 LEU ATOM 2026 CA GLU 59 150.275 46.131 347.051 28 VAL ATOM 2027 CA TYR 60 150.278 44.381 343.666 29 GLU ATOM 2028 CA GLY 62 151.800 41.189 345.086 30 ARG ATOM 2029 CA PRO 63 154.120 39.926 347.799 31 ASP ATOM 2030 CA VAL 64 157.697 40.847 346.890 32 ARG ATOM 2031 CA ARG 65 160.937 39.381 348.221 33 SER ATOM 2032 CA LEU 66 164.218 41.190 348.853 34 VAL ATOM 2033 CA LYS 67 165.552 39.935 345.521 35 GLY ATOM 2034 CA ASP 68 162.462 40.880 343.533 36 GLU ATOM 2035 CA VAL 69 162.543 44.396 344.998 37 LEU ATOM 2036 CA GLU 70 166.278 44.637 344.301 38 LEU ATOM 2037 CA GLU 71 168.135 50.928 344.359 44 LEU ATOM 2038 CA ALA 72 171.176 49.069 345.641 45 GLU ATOM 2039 CA GLN 73 170.988 46.474 348.405 46 SER ATOM 2040 CA GLN 74 172.195 49.010 350.979 47 SER ATOM 2041 CA LYS 75 169.766 51.728 349.873 48 ASN ATOM 2042 CA ILE 76 166.861 49.285 349.516 49 LEU ATOM 2043 CA ILE 77 167.383 47.815 352.991 50 SER ATOM 2044 CA ASN 78 167.466 51.374 354.345 51 GLN ATOM 2045 CA ILE 79 164.157 52.384 352.756 52 GLN ATOM 2046 CA ILE 80 162.577 49.047 353.699 53 LEU ATOM 2047 CA ARG 81 163.619 49.611 357.312 54 GLY ATOM 2048 CA ARG 82 161.977 53.038 357.399 55 VAL ATOM 2049 CA LEU 83 158.717 51.557 356.101 56 LEU ATOM 2050 CA GLU 84 159.022 48.575 358.458 57 ARG ATOM 2051 CA GLU 85 159.345 50.706 361.597 58 ARG ATOM 2052 CA ALA 86 156.487 52.887 360.303 59 ALA ATOM 2053 CA GLY 87 154.139 49.890 360.241 60 GLY ATOM 2054 CA GLU 88 153.472 50.158 356.501 61 VAL ATOM 2055 CA ILE 89 155.321 47.008 355.413 62 VAL ATOM 2056 CA VAL 90 155.867 43.632 357.071 63 ALA ATOM 2057 CA ILE 91 158.664 41.108 356.548 64 ALA ATOM 2058 CA ALA 92 158.699 37.320 356.796 65 ARG ATOM 2059 CA ARG 93 161.437 34.687 356.506 66 ARG ATOM 2060 CA GLY 94 160.322 31.774 354.309 67 ASP ATOM 2061 CA GLY 95 163.721 30.074 354.070 68 GLY ATOM 2062 CA GLY 96 167.067 31.865 353.642 69 ASN ATOM 2063 CA GLU 97 165.074 34.746 352.115 70 ALA ATOM 2064 CA GLU 98 163.091 37.707 353.453 71 MET ATOM 2065 CA LEU 99 159.612 38.148 351.966 72 ILE ATOM 2066 CA ILE 100 158.072 41.607 352.334 73 TYR ATOM 2067 CA MET 101 154.359 42.355 352.175 74 SER TER 82 56.370 3 3pkrA1 ATOM 3001 CA PHE 2 -2.961 -32.905 21.390 1 LYS ATOM 3002 CA VAL 3 -5.801 -31.137 19.550 2 ASN ATOM 3003 CA PHE 4 -6.974 -34.115 17.394 3 PHE ATOM 3004 CA GLU 5 -8.744 -31.093 15.864 4 ALA ATOM 3005 CA ASP 6 -8.447 -32.486 12.353 5 TYR ATOM 3006 CA ILE 7 -10.911 -35.336 13.273 6 LEU ATOM 3007 CA LEU 8 -13.919 -33.085 12.595 7 GLY ATOM 3008 CA LYS 9 -13.079 -33.143 8.868 8 LYS ATOM 3009 CA LEU 10 -13.414 -36.958 8.310 9 ILE ATOM 3010 CA ASP 11 -16.646 -38.864 7.946 10 LYS ATOM 3011 CA ASP 12 -16.969 -41.360 10.877 11 PRO ATOM 3012 CA ARG 13 -17.049 -44.408 8.495 12 GLN ATOM 3013 CA SER 14 -13.905 -43.316 6.746 13 GLN ATOM 3014 CA ILE 15 -12.193 -42.945 10.123 14 LEU ATOM 3015 CA GLN 16 -13.447 -46.302 11.298 15 ALA ATOM 3016 CA LEU 17 -11.771 -47.666 8.106 16 ASP ATOM 3017 CA VAL 18 -8.601 -45.823 8.921 17 PHE ATOM 3018 CA LEU 19 -8.088 -46.945 12.545 18 ILE ATOM 3019 CA ARG 20 -9.711 -50.453 12.518 19 ILE ATOM 3020 CA GLU 21 -6.226 -52.038 12.987 20 ASN ATOM 3021 CA VAL 22 -4.988 -49.813 15.844 21 GLU ATOM 3022 CA ASP 23 -4.689 -50.926 19.441 22 HIS ATOM 3023 CA THR 24 -7.947 -50.345 21.375 23 PRO ATOM 3024 CA ARG 25 -6.167 -47.962 23.755 24 GLN ATOM 3025 CA ASP 26 -5.065 -45.923 20.752 25 THR ATOM 3026 CA LEU 27 -8.556 -46.018 19.220 26 ILE ATOM 3027 CA ALA 28 -9.974 -44.895 22.564 27 ALA ATOM 3028 CA LEU 29 -7.492 -42.000 22.705 28 LEU ATOM 3029 CA ALA 30 -8.620 -40.874 19.283 29 ILE ATOM 3030 CA LEU 31 -12.367 -41.245 20.010 30 LEU ATOM 3031 CA LYS 32 -11.943 -39.408 23.354 31 ALA ATOM 3032 CA GLY 33 -11.222 -36.197 21.359 32 HIS ATOM 3033 CA ALA 34 -14.393 -36.360 19.361 33 MET ATOM 3034 CA SER 35 -17.909 -35.216 20.126 34 GLU ATOM 3035 CA ASP 36 -20.094 -38.046 21.394 35 ALA ATOM 3036 CA GLU 37 -22.368 -38.294 18.285 36 PRO ATOM 3037 CA LEU 38 -19.402 -38.732 15.950 37 ASN ATOM 3038 CA LYS 39 -17.397 -41.007 18.237 38 ALA ATOM 3039 CA GLU 40 -20.513 -43.110 18.708 39 ALA ATOM 3040 CA LYS 41 -20.953 -43.384 14.995 40 GLU ATOM 3041 CA ILE 42 -17.304 -44.359 14.326 41 THR ATOM 3042 CA PHE 43 -17.579 -46.932 17.110 42 LEU ATOM 3043 CA LYS 44 -20.767 -48.310 15.507 43 SER ATOM 3044 CA ASN 45 -18.712 -49.698 12.625 44 TYR ATOM 3045 CA MET 46 -16.773 -51.966 14.980 45 PHE ATOM 3046 CA SER 47 -18.000 -55.307 16.315 46 PRO ATOM 3047 CA LYS 48 -19.368 -55.197 19.913 47 ASP ATOM 3048 CA ARG 49 -16.387 -57.131 21.331 48 GLU ATOM 3049 CA ALA 50 -14.148 -54.471 19.781 49 MET ATOM 3050 CA ALA 51 -16.364 -51.678 21.255 50 LYS ATOM 3051 CA ALA 52 -16.202 -53.138 24.771 51 ALA ATOM 3052 CA LEU 53 -12.428 -53.312 24.659 52 GLU ATOM 3053 CA LEU 54 -12.213 -49.748 23.348 53 ILE ATOM 3054 CA LYS 55 -14.572 -48.594 26.053 54 SER ATOM 3055 CA ASP 56 -12.641 -50.217 28.884 55 ILE ATOM 3056 CA GLU 57 -9.454 -48.456 27.736 56 ARG ATOM 3057 CA LEU 58 -11.261 -45.147 27.264 57 MET ATOM 3058 CA GLU 59 -12.748 -45.177 30.802 58 ALA ATOM 3059 CA TYR 60 -9.238 -44.839 32.295 59 ASN ATOM 3060 CA MET 61 -6.557 -43.498 30.030 60 LEU ATOM 3061 CA GLY 62 -5.506 -40.543 32.297 61 GLY ATOM 3062 CA PRO 63 -2.002 -41.987 32.685 62 GLU ATOM 3063 CA VAL 64 -0.638 -40.250 29.517 63 ILE ATOM 3064 CA ARG 65 1.718 -37.262 29.302 64 SER ATOM 3065 CA LEU 66 0.610 -34.312 27.019 65 PRO ATOM 3066 CA LYS 67 3.853 -34.609 24.980 66 GLN ATOM 3067 CA ASP 68 2.874 -38.216 24.151 67 VAL ATOM 3068 CA VAL 69 -0.732 -37.292 23.265 68 VAL ATOM 3069 CA GLU 70 0.727 -34.567 21.103 69 LYS ATOM 3070 CA GLU 71 3.075 -36.992 19.316 70 ARG ATOM 3071 CA ALA 72 0.299 -39.491 18.673 71 VAL ATOM 3072 CA GLN 73 -1.957 -36.817 17.229 72 SER ATOM 3073 CA GLN 74 0.951 -35.684 14.987 73 THR ATOM 3074 CA LYS 75 1.764 -39.284 13.896 74 VAL ATOM 3075 CA ILE 76 -1.897 -39.666 12.989 75 LEU ATOM 3076 CA ILE 77 -2.105 -36.280 11.229 76 GLU ATOM 3077 CA ASN 78 0.922 -37.226 9.084 77 ASN ATOM 3078 CA ILE 79 -0.586 -40.560 8.192 78 LYS ATOM 3079 CA ILE 80 -3.939 -39.237 6.972 79 LEU ATOM 3080 CA ARG 81 -2.283 -36.576 4.774 80 GLU ATOM 3081 CA ARG 82 -0.092 -39.354 3.150 81 SER ATOM 3082 CA LEU 83 -3.287 -40.126 1.195 82 LEU TER