5 136 (N_temp, Lch) 129 188.070 1 6dgcA ATOM 1001 CA MET 1 71.729 -3.521 132.157 1 ILE ATOM 1002 CA ALA 2 74.037 -3.728 129.029 2 ARG ATOM 1003 CA LEU 3 71.608 -3.694 126.002 3 ALA ATOM 1004 CA PHE 4 71.809 -4.159 122.191 4 VAL ATOM 1005 CA GLY 5 69.118 -2.726 119.902 5 ILE ATOM 1006 CA TYR 6 67.962 -4.844 116.926 6 TYR ATOM 1007 CA ALA 7 65.811 -3.010 114.325 7 ALA ATOM 1008 CA ARG 8 64.681 -4.254 110.910 8 ARG ATOM 1009 CA VAL 9 62.625 -3.100 107.890 9 VAL ATOM 1010 CA SER 10 61.978 -5.185 104.738 10 SER ATOM 1011 CA THR 11 62.158 -2.384 102.089 11 SER ATOM 1012 CA SER 12 64.431 0.638 101.310 12 SER ATOM 1013 CA GLN 13 61.278 2.879 101.186 13 ASP ATOM 1014 CA GLN 14 60.573 1.982 104.876 14 GLN ATOM 1015 CA SER 15 60.095 3.520 109.976 17 ASP ATOM 1016 CA LEU 16 63.462 1.843 110.928 18 LEU ATOM 1017 CA ASP 17 64.733 5.093 112.510 19 GLU ATOM 1018 CA ILE 18 61.395 5.355 114.469 20 ARG ATOM 1019 CA GLN 19 62.023 1.720 115.695 21 GLN ATOM 1020 CA VAL 20 65.599 2.556 116.897 22 ILE ATOM 1021 CA ARG 21 64.217 5.598 118.642 23 ASN ATOM 1022 CA ALA 22 61.361 3.828 120.473 24 TYR ATOM 1023 CA LEU 23 63.888 1.312 121.858 25 LEU ATOM 1024 CA LYS 24 66.741 3.859 122.546 26 THR ATOM 1025 CA ASP 25 64.442 5.878 124.831 27 ASN ATOM 1026 CA ALA 26 62.716 2.744 126.283 28 TYR ATOM 1027 CA GLY 27 68.212 2.733 132.840 33 GLY ATOM 1028 CA VAL 28 69.872 0.197 130.404 34 TYR ATOM 1029 CA LYS 29 73.164 1.343 128.843 35 LYS ATOM 1030 CA ALA 30 72.757 0.882 125.055 36 VAL ATOM 1031 CA ASN 31 76.026 -0.869 124.054 37 VAL ATOM 1032 CA ARG 32 75.309 -1.074 120.275 38 GLU ATOM 1033 CA ILE 33 72.473 -0.505 117.750 39 VAL ATOM 1034 CA PHE 34 72.279 -3.122 114.927 40 LEU ATOM 1035 CA THR 35 69.916 -2.668 111.967 41 LYS ATOM 1036 CA ASP 36 69.020 -4.365 108.611 42 ASP ATOM 1037 CA LYS 37 66.995 -3.447 105.489 43 ILE ATOM 1038 CA ALA 38 66.013 -7.071 104.610 44 ALA ATOM 1039 CA SER 39 63.285 -9.754 104.969 45 SER ATOM 1040 CA ASP 40 72.030 -14.548 106.879 50 GLN ATOM 1041 CA ARG 41 71.349 -10.809 107.575 51 ARG ATOM 1042 CA LYS 42 74.657 -8.919 108.116 52 LYS ATOM 1043 CA GLY 43 73.234 -7.254 111.271 53 GLY ATOM 1044 CA LEU 44 71.630 -10.419 112.681 54 LEU ATOM 1045 CA ASP 45 75.013 -12.214 112.350 55 LEU ATOM 1046 CA LEU 46 76.826 -9.252 114.091 56 LYS ATOM 1047 CA LEU 47 74.180 -9.556 116.894 57 LEU ATOM 1048 CA ARG 48 74.851 -13.317 117.136 58 PHE ATOM 1049 CA MET 49 78.626 -12.644 117.552 59 LYS ATOM 1050 CA LYS 50 77.946 -9.842 120.129 60 LEU ATOM 1051 CA VAL 51 75.702 -12.124 122.300 61 VAL ATOM 1052 CA LYS 52 78.212 -15.059 121.921 62 GLU ATOM 1053 CA GLU 53 81.020 -12.714 123.127 63 GLY ATOM 1054 CA GLY 54 78.989 -12.286 126.407 64 ARG ATOM 1055 CA ASP 55 73.046 -8.761 128.780 67 ASP ATOM 1056 CA VAL 56 69.692 -8.013 126.913 68 VAL ATOM 1057 CA ILE 57 68.407 -7.628 123.231 69 VAL ATOM 1058 CA LEU 58 65.661 -5.108 122.537 70 LEU ATOM 1059 CA VAL 59 63.209 -5.480 119.571 71 ILE ATOM 1060 CA LYS 60 59.755 -3.827 118.960 72 THR ATOM 1061 CA LYS 61 58.011 -7.061 117.782 73 TYR ATOM 1062 CA LEU 62 59.260 -10.713 117.556 74 LYS ATOM 1063 CA ASP 63 58.654 -10.331 113.747 75 ASP ATOM 1064 CA ARG 64 61.692 -7.907 113.534 76 ARG ATOM 1065 CA LEU 65 64.237 -10.481 114.795 77 LEU ATOM 1066 CA GLY 66 63.113 -13.261 112.385 78 THR ATOM 1067 CA ARG 67 60.032 -14.426 110.403 79 ARG ATOM 1068 CA ASP 68 60.569 -18.086 111.453 80 PHE ATOM 1069 CA THR 69 62.463 -19.897 114.193 81 GLY ATOM 1070 CA ALA 70 62.407 -17.183 116.912 82 PHE ATOM 1071 CA ASP 71 62.486 -20.016 119.497 83 GLU ATOM 1072 CA MET 72 65.897 -21.220 118.176 84 TYR ATOM 1073 CA ILE 73 67.358 -17.656 118.423 85 ILE ATOM 1074 CA GLN 74 65.780 -17.383 121.926 86 GLU ATOM 1075 CA LYS 77 67.566 -20.646 122.853 87 GLU ATOM 1076 CA GLU 78 70.955 -19.536 121.360 88 LEU ATOM 1077 CA PHE 79 70.785 -16.240 123.332 89 PHE ATOM 1078 CA ASP 80 69.577 -17.785 126.615 90 SER ATOM 1079 CA ALA 81 72.607 -20.174 126.685 91 THR ATOM 1080 CA GLN 82 74.753 -16.976 126.632 92 MET ATOM 1081 CA GLY 83 72.506 -15.621 129.471 93 GLY ATOM 1082 CA VAL 84 71.000 -12.969 127.167 94 VAL ATOM 1083 CA SER 85 67.265 -12.163 127.377 95 LYS ATOM 1084 CA ILE 86 65.153 -10.885 124.442 96 ILE ATOM 1085 CA ARG 87 62.866 -8.036 125.588 97 GLU ATOM 1086 CA PHE 88 59.847 -7.679 123.192 98 VAL ATOM 1087 CA ILE 89 58.293 -4.167 123.811 99 VAL ATOM 1088 CA ASP 90 54.970 -5.044 121.954 100 PHE ATOM 1089 CA ASP 91 52.374 -7.809 121.486 101 GLY ATOM 1090 CA SER 92 49.343 -8.322 119.151 102 GLU ATOM 1091 CA ILE 93 49.822 -4.666 117.947 103 GLU ATOM 1092 CA ASP 94 50.892 -5.231 114.170 104 PRO ATOM 1093 CA THR 95 48.622 -2.919 112.051 105 LYS ATOM 1094 CA SER 97 50.398 -2.070 108.745 106 ASP ATOM 1095 CA ALA 98 52.287 -5.444 108.820 107 ALA ATOM 1096 CA MET 99 49.843 -6.855 106.145 108 THR ATOM 1097 CA GLY 100 52.196 -5.607 103.327 109 GLN ATOM 1098 CA ARG 101 55.260 -7.385 104.840 110 GLU ATOM 1099 CA MET 102 53.224 -10.569 105.541 111 LEU ATOM 1100 CA VAL 103 51.981 -10.759 101.901 112 VAL ATOM 1101 CA VAL 104 55.507 -10.058 100.482 113 GLU ATOM 1102 CA THR 105 56.961 -12.853 102.705 114 ASP ATOM 1103 CA ILE 106 54.080 -15.185 101.812 115 LEU ATOM 1104 CA LEU 107 54.787 -14.813 98.040 116 ILE ATOM 1105 CA SER 108 58.507 -15.665 98.527 117 SER ATOM 1106 CA ALA 109 57.557 -18.736 100.652 118 ILE ATOM 1107 CA VAL 110 55.069 -20.002 97.971 119 ILE ATOM 1108 CA ALA 111 57.715 -19.275 95.198 120 THR ATOM 1109 CA GLN 112 60.454 -21.263 97.028 121 SER ATOM 1110 CA ALA 113 58.045 -24.161 97.956 122 PHE ATOM 1111 CA GLU 114 56.697 -24.229 94.316 123 ALA ATOM 1112 CA ARG 115 60.291 -24.783 93.189 124 GLY ATOM 1113 CA GLN 116 60.774 -27.540 95.798 125 LYS ATOM 1114 CA ARG 117 57.418 -29.220 94.777 126 ILE ATOM 1115 CA ILE 118 57.457 -28.763 90.938 127 TYR ATOM 1116 CA LEU 119 60.984 -27.537 90.000 128 GLY ATOM 1117 CA GLN 120 63.075 -24.337 90.585 129 MET ATOM 1118 CA ARG 121 62.703 -23.564 86.801 130 ARG ATOM 1119 CA THR 122 59.429 -25.529 86.081 131 SER ATOM 1120 CA ASN 123 56.189 -24.538 84.239 132 HIS ATOM 1121 CA GLU 124 53.812 -25.715 87.046 133 LYS ATOM 1122 CA GLY 125 55.822 -23.525 89.579 134 LYS ATOM 1123 CA ARG 126 54.978 -20.426 87.444 135 THR ATOM 1124 CA GLN 127 51.286 -21.604 87.313 136 VAL ATOM 1125 CA GLU 128 50.924 -21.654 91.155 137 LEU ATOM 1126 CA ALA 129 52.853 -18.395 91.808 138 VAL ATOM 1127 CA MET 130 50.934 -16.442 89.070 139 GLN ATOM 1128 CA ALA 131 47.653 -17.857 90.434 140 GLY ATOM 1129 CA LYS 132 48.352 -17.076 94.132 141 VAL TER 129 220.930 2 3g13A ATOM 2001 CA MET 1 84.050 62.205 13.945 4 LEU ATOM 2002 CA ALA 2 85.176 59.886 16.783 5 ARG ATOM 2003 CA LEU 3 84.421 56.344 15.707 6 VAL ATOM 2004 CA PHE 4 84.485 53.197 17.840 7 ALA ATOM 2005 CA GLY 5 83.713 49.509 17.142 8 ALA ATOM 2006 CA TYR 6 82.091 47.005 19.448 9 TYR ATOM 2007 CA ALA 7 83.049 43.346 18.906 10 CYS ATOM 2008 CA ARG 8 81.911 39.958 20.137 11 ARG ATOM 2009 CA VAL 9 84.933 37.592 20.067 12 VAL ATOM 2010 CA SER 10 84.422 33.919 19.183 13 SER ATOM 2011 CA THR 11 85.513 31.143 21.563 14 THR ATOM 2012 CA SER 12 87.359 29.284 18.684 15 ASP ATOM 2013 CA GLN 13 89.566 29.240 16.420 16 SER ATOM 2014 CA GLN 14 89.126 33.178 12.418 19 GLN ATOM 2015 CA SER 15 88.656 36.266 16.285 22 SER ATOM 2016 CA LEU 16 89.775 39.333 18.227 23 TYR ATOM 2017 CA ASP 17 92.834 39.972 15.998 24 LYS ATOM 2018 CA ILE 18 90.886 39.693 12.701 25 SER ATOM 2019 CA GLN 19 88.230 42.107 13.990 26 GLN ATOM 2020 CA VAL 20 90.794 44.543 15.321 27 VAL ATOM 2021 CA ARG 21 92.441 44.655 11.872 28 GLN ATOM 2022 CA ALA 22 89.109 44.856 10.016 29 TYR ATOM 2023 CA LEU 23 87.806 47.869 11.994 30 TYR ATOM 2024 CA LYS 24 91.150 49.665 12.156 31 THR ATOM 2025 CA ASP 25 91.510 49.496 8.385 32 ASP ATOM 2026 CA ALA 26 87.693 53.302 9.915 33 ILE ATOM 2027 CA GLY 27 86.719 62.679 8.281 38 GLU ATOM 2028 CA VAL 28 86.836 60.010 11.013 39 TRP ATOM 2029 CA LYS 29 89.268 59.199 13.805 40 VAL ATOM 2030 CA ALA 30 89.386 55.840 15.610 41 LEU ATOM 2031 CA ASN 31 88.374 56.209 19.276 42 ALA ATOM 2032 CA ARG 32 88.926 52.578 20.235 43 ASP ATOM 2033 CA ILE 33 88.041 48.989 19.585 44 ILE ATOM 2034 CA PHE 34 86.016 47.328 22.343 45 TYR ATOM 2035 CA THR 35 85.609 43.574 22.571 46 ALA ATOM 2036 CA ASP 36 84.194 40.877 24.847 47 ASP ATOM 2037 CA LYS 37 84.482 37.146 24.395 48 GLU ATOM 2038 CA ALA 38 81.132 35.382 23.727 49 ALA ATOM 2039 CA SER 39 76.057 43.872 26.347 50 THR ATOM 2040 CA ASP 40 77.947 41.301 27.193 51 LYS ATOM 2041 CA ARG 41 80.031 42.624 29.970 52 ARG ATOM 2042 CA LYS 42 83.213 44.430 30.812 53 GLU ATOM 2043 CA GLY 43 84.479 46.070 27.594 54 ASP ATOM 2044 CA LEU 44 80.913 46.900 26.495 55 PHE ATOM 2045 CA ASP 45 80.587 48.750 29.804 56 GLN ATOM 2046 CA LEU 46 83.947 50.512 29.286 57 ARG ATOM 2047 CA ARG 48 79.370 52.959 27.475 58 ILE ATOM 2048 CA MET 49 81.459 54.959 30.037 59 ASN ATOM 2049 CA LYS 50 83.616 56.407 27.225 60 ASP ATOM 2050 CA VAL 51 80.380 57.365 25.430 61 CYS ATOM 2051 CA GLU 53 82.514 60.950 28.729 62 ASN ATOM 2052 CA GLY 54 82.244 62.307 25.146 63 GLY ATOM 2053 CA ASP 55 80.323 59.944 18.247 66 ASP ATOM 2054 CA ILE 57 79.834 53.010 17.312 67 VAL ATOM 2055 CA LEU 58 80.011 50.264 14.704 68 PHE ATOM 2056 CA VAL 59 78.762 46.828 15.594 69 THR ATOM 2057 CA LYS 60 78.112 43.838 13.357 70 LYS ATOM 2058 CA LYS 61 74.549 43.048 14.429 71 SER ATOM 2059 CA LEU 62 71.875 43.773 16.995 72 ILE ATOM 2060 CA ASP 63 72.486 40.241 18.435 73 SER ATOM 2061 CA ARG 64 76.145 41.169 19.267 74 ARG ATOM 2062 CA LEU 65 75.280 44.631 20.546 75 PHE ATOM 2063 CA GLY 66 73.102 43.441 23.422 76 ALA ATOM 2064 CA ARG 67 71.658 40.293 24.944 77 ARG ATOM 2065 CA ASP 68 67.960 41.103 24.700 78 ASN ATOM 2066 CA THR 69 65.374 43.595 23.460 79 THR ATOM 2067 CA ALA 70 65.189 45.592 26.708 80 LEU ATOM 2068 CA ASP 71 68.981 46.142 26.848 81 ASP ATOM 2069 CA MET 72 69.083 47.004 23.113 82 THR ATOM 2070 CA ILE 73 66.512 49.740 23.843 83 LEU ATOM 2071 CA GLN 74 68.276 50.979 26.951 84 LYS ATOM 2072 CA LEU 75 71.711 51.370 25.364 85 TYR ATOM 2073 CA ILE 76 70.567 52.615 21.961 86 VAL ATOM 2074 CA LYS 77 68.409 55.309 23.701 87 ARG ATOM 2075 CA PHE 79 73.568 56.828 23.230 88 LEU ATOM 2076 CA ASP 80 70.837 58.613 21.177 89 LYS ATOM 2077 CA ALA 81 70.077 61.168 23.967 90 GLU ATOM 2078 CA GLN 82 73.753 62.160 23.693 91 ARG ATOM 2079 CA GLY 83 73.664 62.329 19.840 92 ASN ATOM 2080 CA VAL 84 75.771 59.155 19.587 93 ILE ATOM 2081 CA SER 85 74.875 56.884 16.745 94 ALA ATOM 2082 CA ILE 86 75.162 53.144 16.566 95 VAL ATOM 2083 CA ARG 87 75.694 51.670 13.136 96 TYR ATOM 2084 CA PHE 88 74.407 48.081 12.890 97 PHE ATOM 2085 CA ILE 89 76.375 46.732 9.950 98 GLU ATOM 2086 CA ASP 90 74.311 43.608 9.025 99 ASP ATOM 2087 CA ASP 91 70.927 45.368 9.379 100 GLU ATOM 2088 CA SER 92 72.348 48.597 7.779 101 LYS ATOM 2089 CA ILE 93 70.777 50.953 10.364 102 ILE ATOM 2090 CA ASP 94 72.193 54.147 11.837 103 ASN ATOM 2091 CA THR 95 70.191 54.657 15.024 104 THR ATOM 2092 CA SER 96 69.924 58.474 14.540 105 LEU ATOM 2093 CA SER 97 68.015 58.242 11.203 106 THR ATOM 2094 CA MET 99 64.988 54.203 10.254 107 ASP ATOM 2095 CA GLY 100 66.665 54.362 13.688 108 GLY ATOM 2096 CA ARG 101 63.470 55.872 15.077 109 GLU ATOM 2097 CA MET 102 61.408 53.042 13.507 110 LEU ATOM 2098 CA VAL 103 63.896 50.495 14.995 111 LEU ATOM 2099 CA VAL 104 63.131 51.885 18.450 112 LEU ATOM 2100 CA THR 105 59.353 51.901 17.852 113 VAL ATOM 2101 CA ILE 106 59.486 48.220 16.758 114 VAL ATOM 2102 CA LEU 107 61.757 47.220 19.672 115 LEU ATOM 2103 CA SER 108 59.425 48.999 22.142 116 SER ATOM 2104 CA ALA 109 56.428 46.972 20.831 117 SER ATOM 2105 CA VAL 110 58.464 43.767 20.856 118 VAL ATOM 2106 CA ALA 111 59.673 44.422 24.456 119 ALA ATOM 2107 CA GLN 112 56.122 45.171 25.737 120 GLN ATOM 2108 CA ALA 113 54.906 41.846 24.322 121 GLN ATOM 2109 CA GLU 114 57.929 39.944 25.726 122 GLU ATOM 2110 CA ARG 115 57.272 41.425 29.195 123 VAL ATOM 2111 CA GLN 116 53.554 40.566 29.075 124 GLU ATOM 2112 CA ARG 117 54.433 37.062 27.807 125 ASN ATOM 2113 CA ILE 118 56.759 36.513 30.837 126 ILE ATOM 2114 CA LEU 119 54.054 37.779 33.142 127 SER ATOM 2115 CA GLN 120 51.443 35.445 31.568 128 ALA ATOM 2116 CA ARG 121 53.810 32.473 31.743 129 ASN ATOM 2117 CA THR 122 54.580 33.143 35.400 130 VAL ATOM 2118 CA ASN 123 50.856 33.208 36.237 131 LYS ATOM 2119 CA GLU 124 50.278 29.966 34.234 132 LYS ATOM 2120 CA GLY 125 53.283 28.346 35.961 133 GLY ATOM 2121 CA ARG 126 51.862 29.128 39.445 134 LEU ATOM 2122 CA GLN 127 48.618 27.370 38.518 135 LYS ATOM 2123 CA GLU 128 51.905 23.707 40.937 136 LYS ATOM 2124 CA ALA 129 49.101 22.319 46.434 137 LYS ATOM 2125 CA LYS 132 45.681 20.731 46.938 138 ARG ATOM 2126 CA GLY 133 46.744 17.074 47.229 139 GLY ATOM 2127 CA VAL 134 45.610 16.471 43.604 140 GLU ATOM 2128 CA VAL 135 47.843 13.371 43.150 141 LEU ATOM 2129 CA PHE 136 49.582 12.949 46.534 142 VAL TER 72 150.610 3 3guvA2 ATOM 3001 CA VAL 59 15.364 2.300 10.942 1 VAL ATOM 3002 CA LYS 60 13.511 4.215 13.704 2 PHE ATOM 3003 CA LYS 61 11.630 6.295 11.098 3 LYS ATOM 3004 CA LEU 62 12.242 7.603 7.518 4 LEU ATOM 3005 CA ASP 63 13.562 10.972 8.686 5 SER ATOM 3006 CA ARG 64 16.270 8.935 10.493 6 ARG ATOM 3007 CA LEU 65 17.289 7.340 7.233 7 PHE ATOM 3008 CA GLY 66 16.825 9.735 4.253 8 ALA ATOM 3009 CA ARG 67 17.118 13.464 3.578 9 ARG ATOM 3010 CA ASP 68 14.188 13.854 1.130 10 ASN ATOM 3011 CA THR 69 11.748 11.695 -0.880 11 ALA ATOM 3012 CA ALA 70 14.103 11.239 -3.880 12 ALA ATOM 3013 CA ASP 71 16.673 9.883 -1.403 13 ASP ATOM 3014 CA MET 72 14.260 7.496 0.242 14 VAL ATOM 3015 CA ILE 73 13.266 6.240 -3.188 15 LEU ATOM 3016 CA GLN 74 16.679 5.641 -4.747 16 SER ATOM 3017 CA LEU 75 18.019 4.028 -1.512 17 THR ATOM 3018 CA ILE 76 14.973 1.771 -1.258 18 LEU ATOM 3019 CA LYS 77 15.323 0.757 -4.936 19 GLN ATOM 3020 CA GLU 78 19.025 -0.183 -4.576 20 ILE ATOM 3021 CA PHE 79 18.265 -2.129 -1.350 21 MET ATOM 3022 CA ASP 80 15.434 -4.110 -2.998 22 GLN ATOM 3023 CA ALA 81 17.675 -4.622 -6.122 23 ASP ATOM 3024 CA GLN 82 19.925 -6.497 -3.703 24 TYR ATOM 3025 CA GLY 83 17.076 -8.436 -1.970 25 GLY ATOM 3026 CA VAL 84 16.709 -6.069 1.076 26 VAL ATOM 3027 CA SER 85 13.531 -4.389 2.442 27 ASN ATOM 3028 CA ILE 86 12.988 -1.479 4.862 28 LEU ATOM 3029 CA ARG 87 11.214 -1.468 8.229 29 ILE ATOM 3030 CA PHE 88 10.567 1.844 9.968 30 CYS ATOM 3031 CA ILE 89 9.870 0.896 13.492 31 VAL ATOM 3032 CA ASP 90 8.064 4.050 14.675 32 GLU ATOM 3033 CA ASP 91 6.164 4.716 11.392 33 ASP ATOM 3034 CA SER 92 5.039 1.059 11.198 34 GLY ATOM 3035 CA ILE 93 6.117 0.943 7.528 35 ILE ATOM 3036 CA ASP 94 7.405 -2.336 6.056 36 ASP ATOM 3037 CA THR 95 8.275 -2.249 2.354 37 SER ATOM 3038 CA SER 96 8.032 -6.098 1.949 38 SER ATOM 3039 CA SER 97 4.256 -5.970 2.710 39 LYS ATOM 3040 CA ALA 98 3.754 -3.755 -0.381 40 ASP ATOM 3041 CA ARG 101 4.449 -1.634 -5.164 41 LYS ATOM 3042 CA MET 102 2.396 1.347 -3.735 42 LEU ATOM 3043 CA VAL 103 5.202 2.703 -1.509 43 MET ATOM 3044 CA VAL 104 7.482 3.124 -4.551 44 ILE ATOM 3045 CA THR 105 4.658 4.916 -6.529 45 SER ATOM 3046 CA ILE 106 3.915 7.467 -3.801 46 VAL ATOM 3047 CA LEU 107 7.600 8.129 -3.155 47 LEU ATOM 3048 CA SER 108 8.281 8.498 -6.870 48 SER ATOM 3049 CA ALA 109 5.252 10.885 -7.113 49 ALA ATOM 3050 CA VAL 110 6.537 12.998 -4.200 50 VAL ATOM 3051 CA ALA 111 10.080 12.960 -5.611 51 ALA ATOM 3052 CA GLN 112 8.517 14.473 -8.817 52 GLU ATOM 3053 CA ALA 113 7.063 17.259 -6.621 53 ILE ATOM 3054 CA GLU 114 10.578 18.001 -5.247 54 GLU ATOM 3055 CA ARG 115 12.283 17.936 -8.671 55 ARG ATOM 3056 CA GLN 116 9.734 20.366 -10.076 56 GLU ATOM 3057 CA ARG 117 10.135 22.691 -7.109 57 ASN ATOM 3058 CA ILE 118 13.888 22.715 -7.939 58 ILE ATOM 3059 CA LEU 119 13.236 23.528 -11.662 59 ARG ATOM 3060 CA GLN 120 10.898 26.408 -10.604 60 ILE ATOM 3061 CA ARG 121 13.551 27.824 -8.228 61 GLN ATOM 3062 CA THR 122 16.217 27.559 -10.983 62 THR ATOM 3063 CA ASN 123 13.864 29.266 -13.468 63 MET ATOM 3064 CA GLU 124 13.125 32.127 -10.981 64 GLU ATOM 3065 CA GLY 125 16.868 32.420 -10.352 65 GLY ATOM 3066 CA ARG 126 17.524 32.769 -14.128 66 CYS ATOM 3067 CA GLN 127 14.903 35.550 -14.282 67 ILE ATOM 3068 CA GLU 128 16.766 37.368 -11.478 68 GLN ATOM 3069 CA ALA 129 20.309 36.906 -12.880 69 LYS ATOM 3070 CA MET 130 18.816 38.368 -16.110 70 ALA ATOM 3071 CA ALA 131 18.206 41.768 -14.338 71 ARG ATOM 3072 CA LYS 132 21.841 41.727 -13.018 72 GLU TER 97 158.610 4 2mhcA ATOM 4001 CA MET 1 7.300 -3.281 13.231 6 ARG ATOM 4002 CA ALA 2 4.609 -3.949 10.570 7 ILE ATOM 4003 CA LEU 3 3.582 -4.629 6.948 8 THR ATOM 4004 CA PHE 4 1.415 -2.179 4.987 9 ALA ATOM 4005 CA GLY 5 -1.550 -3.461 3.051 10 LEU ATOM 4006 CA TYR 6 -3.336 -0.519 1.423 11 TYR ATOM 4007 CA ALA 7 -6.294 -1.109 -0.916 12 GLU ATOM 4008 CA ARG 8 -8.926 0.875 -2.862 13 ARG ATOM 4009 CA VAL 9 -12.013 -0.431 -4.727 14 LEU ATOM 4010 CA SER 10 -14.066 1.664 -7.188 15 SER ATOM 4011 CA THR 11 -17.863 1.517 -7.612 16 ARG ATOM 4012 CA SER 12 -17.618 2.919 -11.176 17 ASP ATOM 4013 CA GLN 13 -15.657 -0.062 -12.552 18 ASP ATOM 4014 CA GLN 14 -17.179 -2.713 -14.821 19 ASP ATOM 4015 CA SER 15 -16.735 -4.178 -2.369 26 SER ATOM 4016 CA LEU 16 -13.756 -3.690 -0.008 27 ILE ATOM 4017 CA ASP 17 -12.771 -6.724 2.091 28 THR ATOM 4018 CA ILE 18 -12.519 -8.711 -1.175 29 ASN ATOM 4019 CA GLN 19 -9.528 -6.812 -2.623 30 GLN ATOM 4020 CA VAL 20 -8.214 -6.613 0.966 31 LYS ATOM 4021 CA ARG 21 -8.139 -10.421 1.156 32 LYS ATOM 4022 CA ALA 22 -6.427 -10.346 -2.264 33 TYR ATOM 4023 CA LEU 23 -3.334 -8.551 -0.985 34 LEU ATOM 4024 CA LYS 24 -3.594 -10.900 1.990 35 GLU ATOM 4025 CA ASP 25 -3.290 -13.936 -0.290 36 ASP ATOM 4026 CA ALA 26 -0.120 -12.235 -1.539 37 TYR ATOM 4027 CA GLY 27 5.749 -14.276 3.898 42 GLY ATOM 4028 CA VAL 28 4.996 -10.849 5.411 43 PHE ATOM 4029 CA LYS 29 4.150 -10.214 9.077 44 GLU ATOM 4030 CA ALA 30 1.968 -7.735 10.906 45 ASN ATOM 4031 CA ASN 31 0.040 -7.299 7.650 46 ILE ATOM 4032 CA ARG 32 -1.967 -4.222 8.437 47 ARG ATOM 4033 CA ILE 33 -5.022 -3.506 6.331 48 HIS ATOM 4034 CA PHE 34 -5.629 0.097 5.296 49 PHE ATOM 4035 CA THR 35 -9.210 0.321 4.073 50 THR ATOM 4036 CA ASP 36 -10.644 2.682 1.481 51 ASP ATOM 4037 CA LYS 37 -13.897 4.623 1.415 52 ASP ATOM 4038 CA ALA 38 -14.669 7.547 -0.889 53 GLY ATOM 4039 CA SER 39 -10.045 11.521 -3.611 55 SER ATOM 4040 CA ASP 40 -3.132 11.863 2.044 60 ASN ATOM 4041 CA ARG 41 -6.183 9.673 2.697 61 ARG ATOM 4042 CA LYS 42 -7.945 8.327 5.862 62 PRO ATOM 4043 CA GLY 43 -6.848 4.676 5.693 63 GLY ATOM 4044 CA LEU 44 -3.793 5.918 3.817 64 PHE ATOM 4045 CA ASP 45 -2.963 8.304 6.674 65 GLN ATOM 4046 CA LEU 46 -2.838 5.237 8.902 66 SER ATOM 4047 CA LEU 47 -0.605 3.543 6.322 67 LEU ATOM 4048 CA ARG 48 1.692 6.594 6.229 68 ILE ATOM 4049 CA MET 49 1.325 6.911 10.028 69 LYS ATOM 4050 CA LYS 50 3.084 3.549 10.267 70 GLU ATOM 4051 CA VAL 51 5.707 4.717 7.770 71 VAL ATOM 4052 CA LYS 52 6.509 7.897 9.744 72 GLU ATOM 4053 CA GLU 53 6.672 6.006 13.045 73 ALA ATOM 4054 CA GLY 54 9.022 3.598 11.263 74 GLY ATOM 4055 CA ASP 55 8.662 -2.478 6.621 77 GLU ATOM 4056 CA VAL 56 6.709 -3.408 3.468 78 THR ATOM 4057 CA ILE 57 3.938 -2.091 1.242 79 LEU ATOM 4058 CA LEU 58 1.422 -4.312 -0.501 80 ILE ATOM 4059 CA VAL 59 -0.860 -2.626 -3.046 81 VAL ATOM 4060 CA LYS 60 -3.015 -3.869 -5.937 82 LYS ATOM 4061 CA LYS 61 -1.024 -1.487 -8.172 83 ASP ATOM 4062 CA LEU 62 0.893 1.819 -8.257 84 MET ATOM 4063 CA ASP 63 -2.375 3.467 -9.410 85 SER ATOM 4064 CA ARG 64 -3.555 3.649 -5.774 86 ARG ATOM 4065 CA LEU 65 -0.880 6.234 -4.896 87 LEU ATOM 4066 CA GLY 66 -0.791 7.606 -8.452 88 GLY ATOM 4067 CA ARG 67 1.007 7.137 -11.762 89 ARG ATOM 4068 CA ASP 68 3.253 10.109 -10.833 90 ASN ATOM 4069 CA THR 69 6.344 7.957 -10.209 91 TYR ATOM 4070 CA ALA 70 8.112 11.179 -9.108 92 LEU ATOM 4071 CA ASP 71 6.165 11.577 -5.856 93 GLN ATOM 4072 CA MET 72 5.266 7.880 -5.517 94 VAL ATOM 4073 CA ILE 73 8.967 7.109 -5.856 95 GLY ATOM 4074 CA GLN 74 9.921 9.757 -3.295 96 PHE ATOM 4075 CA LEU 75 7.790 7.751 -0.873 97 TYR ATOM 4076 CA ILE 76 9.481 4.436 -1.693 98 THR ATOM 4077 CA LYS 77 13.005 5.941 -2.181 99 GLU ATOM 4078 CA GLU 78 13.393 8.639 0.520 100 VAL ATOM 4079 CA PHE 79 10.294 8.332 2.744 101 LEU ATOM 4080 CA ASP 80 13.862 3.924 3.668 103 PRO ATOM 4081 CA ALA 81 13.462 4.647 7.421 104 GLN ATOM 4082 CA GLN 82 12.104 1.103 7.839 105 LYS ATOM 4083 CA GLY 83 13.500 -0.565 4.661 106 ASN ATOM 4084 CA VAL 84 10.396 -0.999 2.512 107 VAL ATOM 4085 CA SER 85 9.427 -3.482 -0.150 108 ARG ATOM 4086 CA ILE 86 6.680 -1.927 -2.232 109 PHE ATOM 4087 CA ARG 87 4.414 -4.178 -4.282 110 LEU ATOM 4088 CA PHE 88 2.213 -3.224 -7.208 111 ALA ATOM 4089 CA ILE 89 0.239 -6.228 -8.428 112 ILE ATOM 4090 CA ASP 90 -1.265 -4.686 -11.618 113 ASN ATOM 4091 CA ASP 91 1.926 -2.851 -12.706 114 ASN ATOM 4092 CA SER 92 5.735 -3.001 -12.515 115 SER ATOM 4093 CA ILE 93 6.525 -1.339 -9.177 116 ILE ATOM 4094 CA ASP 94 10.259 -0.887 -9.854 117 ASP ATOM 4095 CA THR 95 11.523 -3.985 -11.697 118 SER ATOM 4096 CA SER 96 13.132 -4.281 -15.158 119 ASN ATOM 4097 CA SER 97 11.479 -7.042 -17.182 120 ASN TER 129 141.530 5 3ilxA ATOM 5001 CA MET 1 0.704 36.270 14.035 1 ALA ATOM 5002 CA ALA 2 -3.046 35.520 13.779 2 LYS ATOM 5003 CA LEU 3 -5.562 34.043 16.231 3 VAL ATOM 5004 CA PHE 4 -8.163 32.133 14.262 4 ILE ATOM 5005 CA GLY 5 -11.471 30.478 15.142 5 LEU ATOM 5006 CA TYR 6 -12.355 27.533 12.949 6 TYR ATOM 5007 CA ALA 7 -15.938 26.289 12.817 7 ALA ATOM 5008 CA ARG 8 -17.563 23.580 10.692 8 ARG ATOM 5009 CA VAL 9 -20.859 21.743 10.270 9 VAL ATOM 5010 CA SER 10 -21.523 18.935 7.805 10 SER ATOM 5011 CA THR 11 -24.840 20.641 6.984 11 SER ATOM 5012 CA SER 12 -27.109 23.357 8.480 12 ASN ATOM 5013 CA GLN 14 -30.070 21.285 9.519 13 THR ATOM 5014 CA SER 15 -26.164 25.380 13.706 16 ASP ATOM 5015 CA LEU 16 -22.956 26.903 12.404 17 LEU ATOM 5016 CA ASP 17 -23.800 30.420 13.695 18 ALA ATOM 5017 CA ILE 18 -24.213 28.969 17.187 19 ASN ATOM 5018 CA GLN 19 -20.848 27.205 16.966 20 GLN ATOM 5019 CA VAL 20 -19.183 30.463 15.972 21 VAL ATOM 5020 CA ARG 21 -20.919 32.281 18.827 22 LYS ATOM 5021 CA ALA 22 -19.835 29.632 21.287 23 TYR ATOM 5022 CA LEU 23 -16.220 30.010 20.099 24 LEU ATOM 5023 CA LYS 24 -16.347 33.770 20.408 25 GLU ATOM 5024 CA ASP 25 -17.625 33.577 24.006 26 GLU ATOM 5025 CA ALA 26 -14.621 31.433 24.915 27 GLN ATOM 5026 CA GLY 27 -12.043 33.366 22.906 28 VAL ATOM 5027 CA VAL 28 -12.699 37.063 23.235 29 LYS ATOM 5028 CA LYS 29 -9.610 38.156 21.247 30 GLU ATOM 5029 CA ALA 30 -9.455 36.713 17.762 31 TYR ATOM 5030 CA ASN 31 -8.245 37.985 14.411 32 ASP ATOM 5031 CA ARG 32 -10.317 35.923 11.989 33 LEU ATOM 5032 CA ILE 33 -13.215 33.426 11.855 34 VAL ATOM 5033 CA PHE 34 -13.020 30.810 9.098 35 ILE ATOM 5034 CA THR 35 -15.994 28.501 8.532 36 THR ATOM 5035 CA ASP 36 -16.912 25.575 6.292 37 ASP ATOM 5036 CA LYS 37 -20.058 23.646 5.556 38 ILE ATOM 5037 CA ALA 38 -19.072 20.110 4.641 39 GLY ATOM 5038 CA SER 39 -17.589 16.935 6.065 40 SER ATOM 5039 CA ASP 40 -11.349 20.429 -0.726 44 LYS ATOM 5040 CA ARG 41 -13.005 22.579 1.994 45 ARG ATOM 5041 CA LYS 42 -12.031 26.201 1.100 46 LYS ATOM 5042 CA GLY 43 -11.916 27.344 4.689 47 GLY ATOM 5043 CA LEU 44 -9.748 24.408 5.862 48 PHE ATOM 5044 CA ASP 45 -7.380 24.800 2.900 49 LEU ATOM 5045 CA LEU 46 -7.043 28.585 3.490 50 LYS ATOM 5046 CA LEU 47 -6.289 27.784 7.126 51 LEU ATOM 5047 CA ARG 48 -3.722 25.023 6.397 52 LEU ATOM 5048 CA MET 49 -1.897 27.261 3.909 53 ARG ATOM 5049 CA VAL 51 -0.317 27.913 9.106 54 ILE ATOM 5050 CA LYS 52 2.264 26.623 6.620 55 LEU ATOM 5051 CA GLU 53 3.017 30.229 5.616 56 ASN ATOM 5052 CA GLY 54 3.688 31.138 9.269 57 ASN ATOM 5053 CA ASP 55 -0.260 31.800 16.225 60 SER ATOM 5054 CA VAL 56 -3.308 29.864 17.367 61 ARG ATOM 5055 CA ILE 57 -6.372 28.020 15.965 62 VAL ATOM 5056 CA LEU 58 -9.372 27.517 18.278 63 ILE ATOM 5057 CA VAL 59 -12.024 24.929 17.438 64 THR ATOM 5058 CA LYS 60 -14.872 23.358 19.458 65 ALA ATOM 5059 CA LYS 61 -13.393 19.829 19.367 66 TYR ATOM 5060 CA LEU 62 -10.841 17.921 17.250 67 PRO ATOM 5061 CA ASP 63 -13.240 16.483 14.572 68 ASP ATOM 5062 CA ARG 64 -14.268 20.017 13.640 69 ARG ATOM 5063 CA LEU 65 -10.903 20.223 11.816 70 LEU ATOM 5064 CA GLY 66 -10.688 16.734 10.315 71 VAL ATOM 5065 CA ARG 67 -12.069 13.229 10.705 72 ARG ATOM 5066 CA ASP 68 -8.598 11.641 10.208 73 PHE ATOM 5067 CA THR 69 -5.070 13.058 10.583 74 GLY ATOM 5068 CA ALA 70 -5.614 15.443 13.461 75 PHE ATOM 5069 CA ASP 71 -2.129 14.272 14.581 76 GLU ATOM 5070 CA MET 72 -0.599 15.308 11.251 77 ILE ATOM 5071 CA ILE 73 -2.098 18.785 11.723 78 LEU ATOM 5072 CA GLN 74 -0.602 19.028 15.200 79 GLU ATOM 5073 CA LEU 75 2.834 18.109 13.858 80 GLU ATOM 5074 CA ILE 76 2.400 20.786 11.189 81 VAL ATOM 5075 CA PHE 79 1.378 23.393 13.761 82 CYS ATOM 5076 CA ASP 80 4.269 22.497 16.067 83 LYS ATOM 5077 CA ALA 81 6.786 23.100 13.258 84 ALA ATOM 5078 CA GLN 82 5.054 26.412 12.378 85 HIS ATOM 5079 CA GLY 83 4.820 28.013 15.818 86 ASN ATOM 5080 CA VAL 84 1.134 27.365 15.927 87 CYS ATOM 5081 CA SER 85 -1.023 25.703 18.591 88 GLU ATOM 5082 CA ILE 86 -4.418 24.118 17.952 89 ILE ATOM 5083 CA ARG 87 -6.771 24.647 20.900 90 VAL ATOM 5084 CA PHE 88 -9.833 22.430 21.199 91 VAL ATOM 5085 CA ILE 89 -12.384 23.674 23.736 92 LEU ATOM 5086 CA ASP 90 -13.271 20.107 24.425 93 ASN ATOM 5087 CA ASP 91 -10.941 17.077 24.058 94 GLN ATOM 5088 CA ASP 94 -13.867 14.805 23.173 95 GLU ATOM 5089 CA THR 95 -15.863 15.210 19.989 96 ASP ATOM 5090 CA SER 96 -19.551 16.029 20.269 97 LYS ATOM 5091 CA SER 97 -20.376 14.979 16.674 98 THR ATOM 5092 CA ALA 98 -24.093 14.682 15.734 99 PRO ATOM 5093 CA MET 99 -25.236 11.151 14.983 100 GLU ATOM 5094 CA GLY 100 -26.176 12.060 11.399 101 GLU ATOM 5095 CA ARG 101 -22.653 13.367 10.773 102 GLU ATOM 5096 CA MET 102 -20.932 10.173 11.914 103 LEU ATOM 5097 CA VAL 103 -23.297 7.954 9.889 104 VAL ATOM 5098 CA VAL 104 -22.772 10.114 6.837 105 GLU ATOM 5099 CA THR 105 -18.973 9.961 7.247 106 ASP ATOM 5100 CA ILE 106 -19.061 6.181 7.703 107 LEU ATOM 5101 CA LEU 107 -21.245 5.835 4.562 108 ALA ATOM 5102 CA SER 108 -18.698 7.887 2.590 109 THR ATOM 5103 CA ALA 109 -15.854 5.730 3.969 110 ILE ATOM 5104 CA VAL 110 -17.806 2.463 3.236 111 LEU ATOM 5105 CA ALA 111 -18.427 3.567 -0.369 112 VAL ATOM 5106 CA GLN 112 -14.740 4.267 -0.804 113 SER ATOM 5107 CA ALA 113 -13.699 0.814 0.503 114 PHE ATOM 5108 CA GLU 114 -16.373 -1.074 -1.488 115 SER ATOM 5109 CA ARG 115 -15.057 0.602 -4.661 116 GLY ATOM 5110 CA GLN 116 -11.553 -0.691 -3.862 117 LYS ATOM 5111 CA ARG 117 -12.792 -4.184 -2.882 118 LEU ATOM 5112 CA ILE 118 -14.730 -4.442 -6.153 119 HIS ATOM 5113 CA LEU 119 -11.603 -3.330 -8.017 120 GLY ATOM 5114 CA GLN 120 -12.685 -8.663 -6.895 121 ARG ATOM 5115 CA ARG 121 -15.556 -11.380 -1.711 123 GLN ATOM 5116 CA THR 122 -15.739 -8.798 1.107 124 LYS ATOM 5117 CA ASN 123 -17.368 -6.353 -1.307 125 TYR ATOM 5118 CA GLU 124 -20.823 -7.786 -0.602 126 GLU ATOM 5119 CA GLY 125 -20.424 -7.393 3.182 127 LYS ATOM 5120 CA ARG 126 -19.283 -3.786 2.788 128 VAL ATOM 5121 CA GLN 127 -22.209 -2.910 0.457 129 LYS ATOM 5122 CA GLU 128 -24.621 -4.567 2.898 130 LYS ATOM 5123 CA ALA 129 -23.147 -2.441 5.752 131 CYS ATOM 5124 CA MET 130 -23.548 0.808 3.783 132 ALA ATOM 5125 CA ALA 131 -27.163 -0.226 3.104 133 GLU ATOM 5126 CA LYS 132 -27.866 -0.981 6.810 134 GLU ATOM 5127 CA GLY 133 -26.526 2.515 7.678 135 LEU ATOM 5128 CA VAL 134 -28.764 4.170 5.095 136 LYS ATOM 5129 CA VAL 135 -31.771 2.540 6.815 137 ASN TER