3 206 (N_temp, Lch) 200 550.920 1 1r61A ATOM 1001 CA ARG 1 -14.095 30.177 -4.704 4 LYS ATOM 1002 CA TYR 2 -11.140 32.514 -4.853 5 VAL ATOM 1003 CA TRP 3 -11.868 36.184 -5.148 6 TYR ATOM 1004 CA ASP 4 -9.099 38.433 -6.512 7 ASP ATOM 1005 CA ILE 5 -9.483 41.747 -4.806 8 VAL ATOM 1006 CA SER 6 -6.488 43.504 -6.235 9 THR ATOM 1007 CA PRO 7 -6.282 46.371 -8.728 10 ALA ATOM 1008 CA ALA 8 -4.264 45.984 -11.878 11 PRO ATOM 1009 CA LEU 9 -1.104 47.987 -12.348 12 ILE ATOM 1010 CA ASP 10 -0.520 49.927 -15.621 13 TYR ATOM 1011 CA PRO 11 0.594 53.399 -16.811 14 GLU ATOM 1012 CA ASN 12 -2.575 55.517 -16.740 15 GLY ATOM 1013 CA THR 13 -4.106 53.733 -13.752 16 MET ATOM 1014 CA PRO 14 -5.864 55.530 -10.864 17 PRO ATOM 1015 CA THR 15 -3.359 56.915 -8.392 18 VAL ATOM 1016 CA TRP 16 -3.711 59.045 -5.264 19 TYR ATOM 1017 CA PRO 17 -4.908 62.509 -6.134 20 LYS ATOM 1018 CA GLY 18 -4.271 61.799 -9.815 21 ASN ATOM 1019 CA ASP 19 -0.676 62.932 -9.410 22 LYS ATOM 1020 CA THR 20 1.385 61.913 -12.492 23 PRO ATOM 1021 CA PRO 21 4.528 61.428 -10.365 24 GLU ATOM 1022 CA PHE 22 4.330 53.328 -12.619 27 PRO ATOM 1023 CA GLN 23 6.634 53.175 -15.762 28 LYS ATOM 1024 CA GLN 24 7.411 49.989 -17.627 29 ARG ATOM 1025 CA GLU 25 10.484 49.953 -19.784 30 THR ATOM 1026 CA ARG 29 11.419 47.132 -22.137 31 THR ATOM 1027 CA LEU 30 14.361 45.910 -24.200 32 ILE ATOM 1028 CA ASP 31 14.184 43.205 -26.920 33 THR ATOM 1029 CA GLU 32 16.920 40.819 -28.096 34 ASN ATOM 1030 CA CYS 34 15.601 38.661 -30.921 35 GLY ATOM 1031 CA PRO 35 13.110 36.190 -29.402 36 TYR ATOM 1032 CA VAL 36 13.807 37.496 -25.860 37 VAL ATOM 1033 CA ASN 37 11.841 40.314 -24.210 38 THR ATOM 1034 CA VAL 38 12.788 41.791 -20.830 39 GLU ATOM 1035 CA GLY 39 11.167 44.518 -18.763 40 SER ATOM 1036 CA ARG 40 11.586 46.579 -15.721 41 ARG ATOM 1037 CA ILE 41 8.863 48.097 -13.635 42 ILE ATOM 1038 CA THR 42 9.422 51.366 -11.707 43 ASP ATOM 1039 CA LEU 43 6.570 51.934 -9.210 44 MET ATOM 1040 CA SER 44 5.523 53.695 -6.061 45 ASP ATOM 1041 CA PRO 45 5.425 51.268 -3.166 46 VAL ATOM 1042 CA HIS 46 1.905 52.587 -2.462 47 HIS ATOM 1043 CA THR 47 0.574 51.771 -5.919 48 THR ATOM 1044 CA GLY 48 -2.891 50.292 -6.227 49 GLY ATOM 1045 CA ALA 49 -3.502 47.532 -3.802 50 THR ATOM 1046 CA HIS 50 -0.891 47.789 -1.106 51 HIS ATOM 1047 CA VAL 51 0.058 47.241 2.480 52 ILE ATOM 1048 CA ASP 52 1.185 49.809 5.003 53 ASP ATOM 1049 CA GLY 53 2.572 48.381 8.222 54 ALA ATOM 1050 CA PRO 54 3.782 49.880 11.439 55 PRO ATOM 1051 CA LEU 55 7.410 50.885 11.143 56 LEU ATOM 1052 CA HIS 56 8.455 48.665 14.068 57 HIS ATOM 1053 CA TYR 57 7.757 45.615 11.952 58 MET ATOM 1054 CA ARG 58 10.798 46.384 9.753 59 VAL ATOM 1055 CA ALA 59 13.270 46.978 12.348 60 GLU ATOM 1056 CA ASP 60 16.426 49.083 12.418 61 GLY ATOM 1057 CA GLY 61 18.381 49.178 9.143 62 GLY ATOM 1058 CA LEU 62 17.204 47.036 6.335 63 ALA ATOM 1059 CA PRO 63 18.459 43.633 7.716 64 THR ATOM 1060 CA ILE 64 16.730 41.093 5.522 65 PHE ATOM 1061 CA GLY 65 13.519 42.213 7.202 66 GLU ATOM 1062 CA GLN 66 10.190 42.370 5.326 67 THR ATOM 1063 CA VAL 67 6.602 42.892 6.287 68 ILE ATOM 1064 CA PRO 68 5.680 39.734 8.152 69 PRO ATOM 1065 CA LEU 69 2.861 37.487 6.998 70 LEU ATOM 1066 CA ASP 70 1.448 36.096 10.262 71 ASN ATOM 1067 CA VAL 71 -1.615 38.291 10.000 72 ASP ATOM 1068 CA TYR 72 -1.749 38.958 6.277 73 LEU ATOM 1069 CA MET 73 -2.451 35.262 5.845 74 VAL ATOM 1070 CA GLY 74 -5.505 33.969 7.621 75 GLY ATOM 1071 CA PRO 75 -9.149 34.455 8.467 76 PRO ATOM 1072 CA CYS 76 -10.818 37.816 8.018 77 CYS ATOM 1073 CA ARG 77 -14.235 39.429 8.198 78 LYS ATOM 1074 CA VAL 78 -15.649 41.463 5.393 79 LEU ATOM 1075 CA ILE 79 -18.475 43.930 6.153 80 PHE ATOM 1076 CA HIS 80 -20.815 45.630 3.723 81 ASP ATOM 1077 CA CYS 81 -20.693 49.333 4.584 82 LEU ATOM 1078 CA ILE 82 -21.901 50.518 1.195 83 THR ATOM 1079 CA GLY 83 -24.685 52.500 2.881 84 HIS ATOM 1080 CA ALA 84 -22.120 54.769 4.548 85 VAL ATOM 1081 CA ASN 85 -21.736 58.331 3.212 86 ASN ATOM 1082 CA PRO 86 -18.548 60.505 3.469 87 ASP ATOM 1083 CA LEU 87 -16.777 58.390 6.113 88 ARG ATOM 1084 CA VAL 88 -16.971 55.434 8.461 89 ILE ATOM 1085 CA THR 89 -17.413 56.502 12.074 90 THR ATOM 1086 CA PRO 90 -17.431 54.766 15.398 91 LYS ATOM 1087 CA GLU 91 -21.217 54.599 15.201 92 ASP ATOM 1088 CA HIS 92 -21.100 52.948 11.816 93 ASP ATOM 1089 CA LEU 93 -19.166 49.925 13.205 94 ILE ATOM 1090 CA ALA 94 -19.574 49.640 16.989 95 ALA ATOM 1091 CA GLY 95 -22.393 47.151 16.722 96 HIS ATOM 1092 CA GLN 96 -20.449 44.870 14.302 97 LEU ATOM 1093 CA LEU 97 -18.831 41.595 15.414 98 ASP ATOM 1094 CA ASP 98 -15.247 42.839 15.582 99 ILE ATOM 1095 CA ASP 99 -12.741 41.365 18.015 100 GLN ATOM 1096 CA LEU 100 -9.217 41.503 19.295 101 GLU ATOM 1097 CA PRO 101 -7.059 39.766 16.697 102 GLY ATOM 1098 CA SER 102 -9.419 40.188 13.759 103 ASP ATOM 1099 CA ARG 103 -8.525 41.401 10.364 104 PHE ATOM 1100 CA VAL 104 -11.496 43.362 9.028 105 VAL ATOM 1101 CA LEU 105 -12.205 44.587 5.485 106 LEU ATOM 1102 CA LEU 106 -14.671 47.368 4.678 107 PHE ATOM 1103 CA ARG 107 -16.591 47.268 1.425 108 LYS ATOM 1104 CA THR 108 -17.879 50.756 0.716 109 THR ATOM 1105 CA PHE 109 -19.093 52.950 -2.094 110 LYS ATOM 1106 CA GLU 110 -15.429 53.235 -3.169 111 ASN ATOM 1107 CA ARG 111 -15.649 49.688 -4.544 112 SER ATOM 1108 CA VAL 112 -18.206 50.921 -7.053 113 PHE ATOM 1109 CA PRO 113 -16.025 53.658 -8.538 114 GLU ATOM 1110 CA ALA 114 -13.131 52.802 -10.894 115 ASP ATOM 1111 CA ASN 115 -11.466 56.229 -11.060 116 ALA ATOM 1112 CA TRP 116 -9.800 58.129 -8.298 117 PHE ATOM 1113 CA PRO 117 -12.320 60.233 -6.388 118 HIS ATOM 1114 CA GLU 118 -11.121 62.912 -3.943 119 PHE ATOM 1115 CA GLY 119 -14.004 62.440 -1.496 120 GLU ATOM 1116 CA PHE 120 -13.559 58.788 -0.945 121 PHE ATOM 1117 CA CYS 121 -15.098 56.958 1.905 122 ILE ATOM 1118 CA ALA 122 -12.465 56.806 4.612 123 PHE ATOM 1119 CA ILE 123 -11.958 55.608 8.237 124 VAL ATOM 1120 CA ALA 124 -12.421 58.598 10.630 125 ALA ATOM 1121 CA PRO 125 -10.391 59.176 13.766 126 GLU ATOM 1122 CA ALA 126 -13.057 57.909 16.135 127 ASP ATOM 1123 CA THR 127 -13.530 54.680 14.266 128 ALA ATOM 1124 CA ILE 128 -9.791 54.168 14.007 129 ALA ATOM 1125 CA GLU 129 -9.406 54.642 17.727 130 ARG ATOM 1126 CA CYS 130 -12.223 52.238 18.394 131 TYR ATOM 1127 CA LEU 131 -10.432 49.643 16.292 132 LEU ATOM 1128 CA ALA 132 -6.906 50.349 17.580 133 ALA ATOM 1129 CA GLU 133 -8.100 50.108 21.135 134 ASP ATOM 1130 CA ARG 134 -9.835 46.881 20.289 135 LYS ATOM 1131 CA GLY 135 -6.454 45.585 19.139 136 GLN ATOM 1132 CA VAL 136 -7.522 44.108 15.825 137 ILE ATOM 1133 CA ARG 137 -4.563 42.855 13.796 138 ARG ATOM 1134 CA LEU 138 -5.574 44.461 10.486 139 GLY ATOM 1135 CA VAL 139 -7.923 46.722 8.600 140 VAL ATOM 1136 CA GLY 140 -8.520 46.936 4.874 141 GLY ATOM 1137 CA ILE 141 -10.228 49.612 2.892 142 ILE ATOM 1138 CA ASP 142 -11.186 49.887 -0.795 143 ASP ATOM 1139 CA THR 143 -9.832 53.370 -1.565 144 ALA ATOM 1140 CA PRO 144 -6.137 54.111 -2.221 145 LEU ATOM 1141 CA SER 145 -6.035 55.805 1.128 146 GLY ATOM 1142 CA LEU 146 -7.736 54.982 4.393 147 ILE ATOM 1143 CA ASP 147 -7.686 58.614 5.576 148 GLU ATOM 1144 CA PRO 148 -8.340 62.197 4.420 149 ARG ATOM 1145 CA GLN 149 -9.482 65.584 5.802 150 ALA ATOM 1146 CA HIS 150 -7.766 64.855 9.112 151 GLN ATOM 1147 CA SER 151 -4.766 67.031 9.814 152 GLU ATOM 1148 CA THR 153 -1.872 65.061 11.224 153 GLY ATOM 1149 CA LEU 154 -3.201 61.660 10.065 154 HIS ATOM 1150 CA ASP 155 -4.597 60.558 13.422 155 PRO ATOM 1151 CA ALA 156 -6.163 57.591 11.754 156 THR ATOM 1152 CA HIS 157 -2.933 56.121 10.583 157 HIS ATOM 1153 CA HIS 158 -1.106 57.160 13.781 158 LYS ATOM 1154 CA ALA 159 -3.502 55.507 16.127 159 THR ATOM 1155 CA VAL 160 -3.727 52.278 14.142 160 LEU ATOM 1156 CA GLY 161 0.065 52.017 13.952 161 PHE ATOM 1157 CA ARG 162 0.620 52.666 17.659 162 SER ATOM 1158 CA HIS 163 -1.554 49.654 18.280 163 ALA ATOM 1159 CA GLY 164 0.299 47.563 15.750 164 GLY ATOM 1160 CA MET 165 -2.472 47.321 13.203 165 VAL ATOM 1161 CA ALA 166 -1.634 46.649 9.559 166 ILE ATOM 1162 CA ILE 167 -3.380 48.628 6.912 167 ILE ATOM 1163 CA LEU 168 -4.332 47.466 3.457 168 ILE ATOM 1164 CA GLU 169 -5.413 50.015 0.950 169 GLU ATOM 1165 CA GLY 170 -6.633 49.858 -2.638 170 GLY ATOM 1166 CA VAL 171 -8.785 46.764 -2.179 171 LEU ATOM 1167 CA VAL 172 -11.407 45.978 -4.879 172 ARG ATOM 1168 CA LEU 173 -14.376 44.503 -3.117 173 LEU ATOM 1169 CA ASP 174 -17.277 45.162 -5.516 174 LYS ATOM 1170 CA ASP 175 -17.845 41.480 -6.246 175 ASP ATOM 1171 CA VAL 176 -17.446 40.085 -2.766 176 VAL ATOM 1172 CA PRO 177 -20.334 39.239 -0.404 177 PRO ATOM 1173 CA ALA 178 -20.374 40.116 3.273 178 GLU ATOM 1174 CA GLY 179 -18.911 37.287 5.335 179 GLY ATOM 1175 CA ASP 180 -15.849 35.416 6.453 180 ARG ATOM 1176 CA TYR 181 -12.907 34.603 4.245 181 TYR ATOM 1177 CA GLU 182 -9.493 33.104 4.393 182 PHE ATOM 1178 CA LEU 183 -7.282 35.943 3.133 183 MET ATOM 1179 CA LEU 184 -3.923 35.756 1.510 184 VAL ATOM 1180 CA ALA 185 -2.519 39.212 1.312 185 ALA ATOM 1181 CA LEU 186 0.814 38.612 -0.376 186 ALA ATOM 1182 CA PRO 187 3.199 41.606 -0.574 187 PRO ATOM 1183 CA LEU 188 6.211 42.113 -2.770 188 LEU ATOM 1184 CA LYS 189 9.035 40.798 -0.672 189 LYS ATOM 1185 CA PHE 190 10.954 44.034 -0.612 190 LEU ATOM 1186 CA THR 191 13.471 44.221 2.191 191 VAL ATOM 1187 CA HIS 192 13.326 47.097 4.699 192 GLY ATOM 1188 CA LEU 193 10.182 48.835 3.466 193 THR ATOM 1189 CA ASP 194 7.089 49.373 5.622 194 ASP ATOM 1190 CA ALA 195 4.921 49.585 2.588 195 ALA ATOM 1191 CA SER 196 4.572 47.458 -0.529 196 ALA ATOM 1192 CA PRO 197 2.375 46.518 -3.396 197 PRO ATOM 1193 CA VAL 198 0.447 43.345 -2.793 198 ALA ATOM 1194 CA ARG 199 -1.665 40.712 -4.428 199 ARG ATOM 1195 CA ALA 200 -4.693 40.096 -2.251 200 VAL ATOM 1196 CA VAL 201 -6.949 37.021 -2.563 201 LEU ATOM 1197 CA LEU 202 -9.989 35.935 -0.542 202 LEU ATOM 1198 CA ARG 203 -11.003 32.284 -0.323 203 PHE ATOM 1199 CA ALA 204 -14.481 31.269 1.045 204 ASP ATOM 1200 CA LEU 205 -12.654 28.213 2.505 205 ARG TER 204 271.750 2 5nmpA ATOM 2001 CA ARG 1 184.801 84.837 242.383 24 ARG ATOM 2002 CA TYR 2 185.876 83.837 245.888 25 VAL ATOM 2003 CA TRP 3 183.194 82.492 248.227 26 VAL ATOM 2004 CA ASP 4 183.817 82.180 251.974 27 ASP ATOM 2005 CA ILE 5 182.395 78.893 253.275 28 LEU ATOM 2006 CA SER 6 183.680 79.409 256.808 29 THR ATOM 2007 CA PRO 7 181.786 80.169 260.024 30 GLN ATOM 2008 CA ALA 8 183.184 82.748 262.460 31 THR ATOM 2009 CA LEU 9 185.282 81.413 265.351 32 LEU ATOM 2010 CA ASP 10 183.802 82.949 268.504 33 SER ATOM 2011 CA PRO 11 183.061 81.935 272.126 34 PRO ATOM 2012 CA ASN 12 179.365 81.792 271.189 35 SER ATOM 2013 CA THR 13 179.866 79.149 268.502 36 PHE ATOM 2014 CA PRO 14 178.204 75.792 269.355 37 PRO ATOM 2015 CA THR 15 180.487 73.338 271.148 38 THR ATOM 2016 CA TRP 16 180.090 69.592 270.657 39 LEU ATOM 2017 CA PRO 17 179.294 67.634 273.816 40 GLN ATOM 2018 CA GLY 18 185.365 66.493 275.834 47 GLN ATOM 2019 CA ASP 19 186.546 69.085 273.317 48 VAL ATOM 2020 CA THR 20 187.230 72.588 274.642 49 GLN ATOM 2021 CA PRO 21 185.030 75.453 273.436 50 PRO ATOM 2022 CA PHE 22 186.647 78.399 271.640 51 PHE ATOM 2023 CA GLN 23 188.182 80.841 274.133 52 LYS ATOM 2024 CA GLN 24 189.953 84.084 273.269 53 ILE ATOM 2025 CA GLU 25 191.837 86.496 275.523 54 GLU ATOM 2026 CA TRP 26 193.250 89.889 274.573 55 ARG ATOM 2027 CA ALA 27 196.977 90.512 275.056 56 ILE ATOM 2028 CA ALA 28 197.032 94.226 274.211 57 SER ATOM 2029 CA ARG 29 194.884 96.848 272.467 58 HIS ATOM 2030 CA LEU 30 197.115 99.821 271.612 59 TYR ATOM 2031 CA ASP 31 197.513 100.429 275.351 60 ASP ATOM 2032 CA GLU 32 199.891 99.978 278.297 61 ALA ATOM 2033 CA GLN 33 200.238 96.249 277.538 62 SER ATOM 2034 CA CYS 34 201.262 97.044 273.955 63 GLY ATOM 2035 CA PRO 35 201.208 100.720 272.895 64 PRO ATOM 2036 CA VAL 36 201.435 100.261 269.116 65 ALA ATOM 2037 CA ASN 37 196.834 94.614 269.145 67 TYR ATOM 2038 CA VAL 38 196.695 90.800 269.330 68 TRP ATOM 2039 CA GLY 39 195.097 87.824 271.103 69 ASN ATOM 2040 CA ARG 40 195.763 84.388 272.545 70 ASN ATOM 2041 CA ILE 41 193.218 81.643 271.856 71 PHE ATOM 2042 CA THR 42 192.374 78.053 272.723 72 SER ATOM 2043 CA LEU 43 190.072 75.460 271.171 73 CYS ATOM 2044 CA SER 44 189.993 71.939 269.769 74 GLY ATOM 2045 CA PRO 45 191.122 70.450 266.476 75 GLU ATOM 2046 CA HIS 46 187.426 69.876 265.800 76 HIS ATOM 2047 CA THR 47 186.124 73.377 266.502 77 THR ATOM 2048 CA GLY 48 183.840 75.304 264.146 78 GLY ATOM 2049 CA ALA 49 184.480 75.058 260.424 79 THR ATOM 2050 CA HIS 50 187.086 72.303 260.481 80 HIS ATOM 2051 CA VAL 51 188.787 69.472 258.598 81 PHE ATOM 2052 CA ASP 52 188.721 65.754 259.475 82 ASP ATOM 2053 CA GLY 53 191.918 63.801 258.760 83 ALA ATOM 2054 CA PRO 54 191.841 59.977 258.429 84 PRO ATOM 2055 CA LEU 55 193.817 59.570 261.676 85 ALA ATOM 2056 CA HIS 56 190.776 60.956 263.504 86 HIS ATOM 2057 CA TYR 57 189.107 57.541 263.290 87 TRP ATOM 2058 CA ARG 58 190.365 54.106 264.338 88 ILE ATOM 2059 CA ALA 59 189.975 52.691 260.814 89 THR ATOM 2060 CA ASP 60 192.341 55.304 259.378 90 GLY ATOM 2061 CA GLY 61 194.993 55.156 262.095 91 ARG ATOM 2062 CA LEU 62 196.838 60.466 257.636 96 ASN ATOM 2063 CA PRO 63 197.387 63.524 259.845 97 SER ATOM 2064 CA ILE 64 197.073 67.209 258.923 98 VAL ATOM 2065 CA GLY 65 200.854 67.648 259.011 99 ASP ATOM 2066 CA GLN 66 201.605 64.616 256.813 100 THR ATOM 2067 CA VAL 67 198.736 64.541 254.288 101 ILE ATOM 2068 CA PRO 68 200.049 65.260 250.783 102 ALA ATOM 2069 CA LEU 69 199.555 69.026 250.118 103 PRO ATOM 2070 CA ASP 70 197.937 68.194 246.757 104 GLU ATOM 2071 CA VAL 71 194.812 67.059 248.631 105 ASN ATOM 2072 CA TYR 72 194.181 70.530 250.054 106 PHE ATOM 2073 CA MET 73 192.801 71.630 246.679 107 VAL ATOM 2074 CA GLY 74 189.991 69.836 244.821 108 ALA ATOM 2075 CA PRO 75 186.803 70.251 242.735 109 PRO ATOM 2076 CA CYS 76 183.395 69.971 244.408 110 ALA ATOM 2077 CA ARG 77 179.809 69.027 243.690 111 VAL ATOM 2078 CA VAL 78 176.941 70.424 245.745 112 VAL ATOM 2079 CA ILE 79 173.927 68.297 246.698 113 ILE ATOM 2080 CA HIS 80 170.947 70.456 247.689 114 ASP ATOM 2081 CA CYS 81 168.608 68.796 250.186 115 ALA ATOM 2082 CA ILE 82 167.528 71.910 252.093 116 SER ATOM 2083 CA GLY 83 163.832 71.458 251.253 117 ALA ATOM 2084 CA ALA 84 163.884 67.869 252.534 118 GLN ATOM 2085 CA ASN 85 165.705 68.687 255.772 119 VAL ATOM 2086 CA PRO 86 165.685 66.872 260.718 123 GLU ATOM 2087 CA LEU 87 168.796 60.535 255.136 126 LEU ATOM 2088 CA VAL 88 170.765 61.025 251.924 127 LEU ATOM 2089 CA THR 89 170.206 57.888 249.859 128 THR ATOM 2090 CA PRO 90 171.761 56.299 246.777 129 VAL ATOM 2091 CA GLU 91 168.468 56.822 244.941 130 ASP ATOM 2092 CA HIS 92 168.602 60.546 245.695 131 PHE ATOM 2093 CA LEU 93 172.224 60.751 244.549 132 LEU ATOM 2094 CA ALA 94 171.497 58.908 241.285 133 GLN ATOM 2095 CA GLY 95 168.575 61.244 240.589 134 ALA ATOM 2096 CA GLN 96 170.924 64.191 241.123 135 TRP ATOM 2097 CA LEU 97 173.287 62.828 238.463 136 GLU ATOM 2098 CA ASP 98 179.912 62.988 240.172 142 ILE ATOM 2099 CA ASP 99 183.615 63.268 239.216 143 PRO ATOM 2100 CA LEU 100 186.319 61.182 240.893 144 ALA ATOM 2101 CA PRO 101 188.511 63.126 243.308 145 GLY ATOM 2102 CA SER 102 185.832 65.700 244.089 146 ALA ATOM 2103 CA ARG 103 184.315 66.899 247.352 147 TRP ATOM 2104 CA VAL 104 180.682 66.030 247.916 148 VAL ATOM 2105 CA LEU 105 179.178 69.045 249.679 149 LEU ATOM 2106 CA LEU 106 175.897 68.217 251.429 150 PHE ATOM 2107 CA ARG 107 173.806 71.410 251.435 151 ARG ATOM 2108 CA THR 108 171.105 71.413 254.118 152 THR ATOM 2109 CA PHE 109 170.844 75.111 255.083 153 ASP ATOM 2110 CA GLU 110 171.679 73.907 258.604 154 TRP ATOM 2111 CA ARG 111 174.226 76.726 258.918 155 SER ATOM 2112 CA VAL 112 171.343 79.152 259.487 156 LEU ATOM 2113 CA PRO 113 170.899 77.628 262.955 157 ARG ATOM 2114 CA ALA 114 170.622 74.387 271.076 162 ALA ATOM 2115 CA ASN 115 169.042 74.359 267.610 163 ALA ATOM 2116 CA TRP 116 172.387 73.793 265.887 164 PHE ATOM 2117 CA PRO 117 173.270 70.699 267.919 165 LEU ATOM 2118 CA GLU 118 169.579 69.704 268.111 166 ASN ATOM 2119 CA GLY 119 168.876 64.662 265.460 173 HIS ATOM 2120 CA PHE 120 170.691 65.851 262.335 174 THR ATOM 2121 CA CYS 121 170.590 64.757 258.666 175 PRO ATOM 2122 CA ALA 122 173.215 62.537 257.025 176 GLY ATOM 2123 CA ILE 123 174.022 59.760 254.523 177 PRO ATOM 2124 CA ALA 124 173.008 56.108 254.744 178 THR ATOM 2125 CA PRO 125 175.713 53.447 254.863 179 GLN ATOM 2126 CA ALA 126 174.868 52.434 251.294 180 GLU ATOM 2127 CA THR 127 175.268 56.036 250.118 181 ALA ATOM 2128 CA ILE 128 178.680 56.293 251.771 182 VAL ATOM 2129 CA GLU 129 179.690 52.968 250.193 183 GLU ATOM 2130 CA CYS 130 178.451 54.137 246.777 184 TRP ATOM 2131 CA LEU 131 180.267 57.485 246.950 185 LEU ATOM 2132 CA ALA 132 183.543 55.767 247.827 186 ILE ATOM 2133 CA GLU 133 183.341 52.610 245.722 187 GLY ATOM 2134 CA ARG 134 182.438 57.367 242.396 189 ARG ATOM 2135 CA GLY 135 185.812 57.565 244.170 190 ASN ATOM 2136 CA VAL 136 185.049 60.889 245.845 191 VAL ATOM 2137 CA ARG 137 187.646 63.019 247.633 192 HIS ATOM 2138 CA LEU 138 185.633 63.614 250.779 193 GLY ATOM 2139 CA VAL 139 182.338 64.593 252.395 194 PHE ATOM 2140 CA GLY 140 181.388 68.111 253.537 195 GLY ATOM 2141 CA ILE 141 178.482 69.208 255.732 196 VAL ATOM 2142 CA ASP 142 176.933 72.241 257.458 197 GLU ATOM 2143 CA THR 143 176.367 70.324 260.692 198 THR ATOM 2144 CA PRO 144 178.749 69.527 263.554 199 ILE ATOM 2145 CA SER 145 178.850 65.922 262.303 200 ASN ATOM 2146 CA LEU 146 179.359 64.394 258.838 201 THR ATOM 2147 CA ASP 147 177.211 61.486 259.980 202 ASP ATOM 2148 CA PRO 148 173.521 61.538 260.808 203 ALA ATOM 2149 CA GLN 149 173.126 62.072 264.544 204 GLY ATOM 2150 CA HIS 150 171.069 58.922 265.020 205 GLN ATOM 2151 CA SER 151 173.564 56.731 263.153 206 SER ATOM 2152 CA LYS 152 175.291 55.964 266.454 207 TYR ATOM 2153 CA THR 153 177.857 53.150 263.782 212 ALA ATOM 2154 CA LEU 154 178.772 56.449 262.092 213 TYR ATOM 2155 CA ASP 155 179.280 54.938 258.616 214 PRO ATOM 2156 CA ALA 156 180.652 58.140 257.063 215 CYS ATOM 2157 CA HIS 157 183.436 58.541 259.630 216 HIS ATOM 2158 CA HIS 158 184.183 54.807 259.632 217 THR ATOM 2159 CA ALA 159 184.269 54.201 255.884 218 LEU ATOM 2160 CA VAL 160 185.603 57.521 254.544 219 MET ATOM 2161 CA GLY 161 188.519 57.702 256.973 220 HIS ATOM 2162 CA ARG 162 188.825 53.936 256.563 221 GLY ATOM 2163 CA HIS 163 189.386 54.550 252.861 222 ALA ATOM 2164 CA GLY 164 191.892 57.346 253.487 223 ASN ATOM 2165 CA MET 165 189.361 60.112 252.672 224 ARG ATOM 2166 CA ALA 166 188.563 63.418 254.388 225 TYR ATOM 2167 CA ILE 167 185.716 65.409 255.941 226 GLY ATOM 2168 CA LEU 168 184.544 69.011 256.277 227 LEU ATOM 2169 CA GLU 169 182.181 70.333 258.944 228 GLN ATOM 2170 CA GLY 170 180.254 73.521 259.777 229 CYS ATOM 2171 CA VAL 171 180.303 74.903 256.244 230 LEU ATOM 2172 CA VAL 172 177.133 79.717 252.018 232 ASN ATOM 2173 CA LEU 173 176.699 76.480 250.062 233 LEU ATOM 2174 CA ASP 174 173.659 78.162 248.505 234 ASP ATOM 2175 CA ASP 175 176.055 80.453 246.620 235 GLN ATOM 2176 CA VAL 176 177.737 77.532 244.873 236 LEU ATOM 2177 CA PRO 177 176.782 75.901 241.552 237 PRO ATOM 2178 CA ALA 178 175.872 72.182 241.421 238 PRO ATOM 2179 CA GLY 179 179.261 71.547 239.812 239 ARG ATOM 2180 CA ASP 180 182.374 73.412 238.695 240 GLY ATOM 2181 CA TYR 181 183.388 75.009 241.986 241 ALA ATOM 2182 CA GLU 182 186.952 74.594 243.239 242 PHE ATOM 2183 CA LEU 183 187.714 74.242 246.943 243 ILE ATOM 2184 CA LEU 184 190.671 75.614 248.881 244 LEU ATOM 2185 CA ALA 185 190.796 73.670 252.150 245 ALA ATOM 2186 CA LEU 186 194.216 73.614 253.803 246 ALA ATOM 2187 CA PRO 187 194.366 72.639 257.511 247 PRO ATOM 2188 CA LEU 188 196.886 73.916 260.070 248 LEU ATOM 2189 CA LYS 189 200.142 71.956 260.127 249 LYS ATOM 2190 CA PHE 190 199.494 70.599 263.631 250 ILE ATOM 2191 CA THR 191 202.044 67.932 264.591 251 GLU ATOM 2192 CA HIS 192 200.166 64.630 264.496 252 GLY ATOM 2193 CA LEU 193 196.894 66.541 264.275 253 GLY ATOM 2194 CA ASP 194 193.693 64.569 263.733 254 SER ATOM 2195 CA ALA 195 192.168 67.654 262.145 255 GLY ATOM 2196 CA SER 196 192.045 71.432 262.493 256 SER ATOM 2197 CA PRO 197 189.844 74.468 262.039 257 PRO ATOM 2198 CA VAL 198 190.542 76.105 258.684 258 LEU ATOM 2199 CA ARG 199 189.504 78.787 256.222 259 ARG ATOM 2200 CA ALA 200 187.473 77.012 253.541 260 VAL ATOM 2201 CA VAL 201 187.207 78.926 250.264 261 LEU ATOM 2202 CA LEU 202 185.431 78.215 246.985 262 ALA ATOM 2203 CA ARG 203 186.443 79.457 243.540 263 LEU ATOM 2204 CA ALA 204 183.525 79.971 241.161 264 VAL TER 181 404.560 3 2b0aA ATOM 3001 CA ARG 1 29.288 31.245 14.581 1 GLU ATOM 3002 CA TYR 2 28.122 34.929 14.672 2 ILE ATOM 3003 CA TRP 3 28.435 37.187 11.618 3 LEU ATOM 3004 CA ASP 4 27.911 40.966 12.150 4 ASP ATOM 3005 CA ILE 5 25.802 42.502 9.362 5 LEU ATOM 3006 CA SER 6 25.820 46.034 10.766 6 THR ATOM 3007 CA PRO 7 27.756 48.999 9.398 7 GLN ATOM 3008 CA ALA 8 29.933 50.901 11.879 8 THR ATOM 3009 CA LEU 9 28.172 54.093 12.851 9 LEU ATOM 3010 CA ASP 10 29.755 56.924 10.913 10 ILE ATOM 3011 CA PRO 11 28.769 60.406 9.772 11 ASN ATOM 3012 CA PRO 14 27.403 59.147 6.464 12 PHE ATOM 3013 CA THR 15 23.788 60.308 6.399 13 PRO ATOM 3014 CA TRP 16 21.514 60.254 3.391 14 ARG ATOM 3015 CA PRO 17 21.937 63.661 1.755 15 PRO ATOM 3016 CA GLY 18 19.422 65.990 3.397 16 GLY ATOM 3017 CA ASP 19 19.481 64.092 6.688 17 ASP ATOM 3018 CA THR 20 20.957 65.007 10.110 18 PRO ATOM 3019 CA PRO 21 24.676 64.561 10.558 19 GLU ATOM 3020 CA PHE 22 26.074 62.311 13.285 20 LEU ATOM 3021 CA GLN 23 27.571 64.391 16.066 21 ARG ATOM 3022 CA GLN 24 29.222 62.898 19.158 22 ILE ATOM 3023 CA GLU 25 30.100 65.554 21.743 23 ILE ATOM 3024 CA TRP 26 32.605 64.399 24.385 24 GLU ATOM 3025 CA ALA 27 33.093 66.136 27.783 25 LYS ATOM 3026 CA ASP 31 35.536 65.537 30.638 26 LYS ATOM 3027 CA GLN 33 33.843 65.768 34.050 27 ILE ATOM 3028 CA CYS 34 35.323 64.767 37.420 28 ASP ATOM 3029 CA PRO 35 37.736 62.294 35.769 29 GLY ATOM 3030 CA VAL 36 34.996 60.609 33.730 30 PHE ATOM 3031 CA ASN 37 34.623 60.979 29.976 31 ILE ATOM 3032 CA VAL 38 30.970 61.232 28.875 32 VAL ATOM 3033 CA GLY 39 29.326 61.829 25.507 33 SER ATOM 3034 CA ARG 40 26.194 63.145 23.844 34 GLU ATOM 3035 CA ILE 41 25.096 61.374 20.661 35 ILE ATOM 3036 CA THR 42 23.029 63.270 18.049 36 ILE ATOM 3037 CA LEU 43 21.842 61.183 15.124 37 MET ATOM 3038 CA SER 44 18.980 60.863 12.679 38 GLY ATOM 3039 CA PRO 45 16.770 57.775 13.110 39 SER ATOM 3040 CA HIS 46 17.716 56.597 9.578 40 HIS ATOM 3041 CA THR 47 21.478 56.860 10.007 41 LEU ATOM 3042 CA GLY 48 23.538 53.847 8.921 42 CYS ATOM 3043 CA ALA 49 22.050 50.383 9.645 43 THR ATOM 3044 CA HIS 50 18.437 51.007 10.687 44 HIS ATOM 3045 CA VAL 51 14.954 49.488 10.695 45 ILE ATOM 3046 CA ASP 52 11.956 51.322 9.247 46 ASP ATOM 3047 CA GLY 53 8.620 51.153 11.050 47 TYR ATOM 3048 CA PRO 54 5.175 51.931 9.622 48 PRO ATOM 3049 CA LEU 55 5.272 55.361 11.273 49 LYS ATOM 3050 CA HIS 56 7.953 56.321 8.714 50 HIS ATOM 3051 CA TYR 57 5.218 56.390 6.017 51 VAL ATOM 3052 CA ARG 58 2.572 57.846 8.323 52 GLY ATOM 3053 CA ALA 59 0.959 54.625 9.542 53 LEU ATOM 3054 CA ASP 60 0.505 53.165 13.010 54 GLU ATOM 3055 CA GLY 61 3.218 50.885 14.417 55 ASN ATOM 3056 CA LEU 62 2.169 47.430 15.584 56 ARG ATOM 3057 CA PRO 63 3.882 44.634 17.504 57 ILE ATOM 3058 CA ILE 64 4.899 42.079 14.912 58 PRO ATOM 3059 CA GLY 65 7.876 41.008 17.051 59 PHE ATOM 3060 CA GLN 66 7.828 40.362 20.825 60 LYS ATOM 3061 CA LEU 69 9.742 43.111 22.623 61 ASP ATOM 3062 CA ASP 70 10.563 44.579 19.191 62 GLY ATOM 3063 CA VAL 71 13.335 41.992 18.796 63 ILE ATOM 3064 CA TYR 72 13.628 41.001 15.151 64 ILE ATOM 3065 CA MET 73 14.284 37.276 15.064 65 LYS ATOM 3066 CA GLY 74 13.751 34.075 13.168 66 GLY ATOM 3067 CA PRO 75 14.907 31.943 10.327 67 LYS ATOM 3068 CA CYS 76 16.746 33.958 7.772 68 GLY ATOM 3069 CA ARG 77 17.586 33.388 4.161 69 TYR ATOM 3070 CA VAL 78 19.668 35.497 1.828 70 CYS ATOM 3071 CA ILE 79 19.134 35.782 -1.951 71 ILE ATOM 3072 CA HIS 80 21.120 37.572 -4.611 72 SER ATOM 3073 CA CYS 81 19.096 40.171 -6.404 73 LEU ATOM 3074 CA ILE 82 20.602 39.398 -9.790 74 ASP ATOM 3075 CA GLY 83 20.368 35.590 -9.472 75 ASP ATOM 3076 CA ALA 84 16.732 35.554 -8.271 76 PHE ATOM 3077 CA ASN 85 14.535 35.866 -11.394 77 PRO ATOM 3078 CA GLY 95 11.458 33.608 -11.406 78 GLY ATOM 3079 CA GLN 96 11.906 31.692 -8.170 79 ASN ATOM 3080 CA LEU 97 10.005 30.484 -5.166 80 LYS ATOM 3081 CA ASP 98 10.983 32.722 -2.277 81 LEU ATOM 3082 CA ASP 99 12.729 30.827 0.511 82 PRO ATOM 3083 CA LEU 100 10.752 29.773 3.551 83 ALA ATOM 3084 CA PRO 101 11.935 32.292 6.134 84 CYS ATOM 3085 CA SER 102 10.929 34.925 8.610 85 ASP ATOM 3086 CA ARG 103 13.628 37.372 7.572 86 ILE ATOM 3087 CA VAL 104 14.599 37.765 3.956 87 LEU ATOM 3088 CA LEU 105 17.918 39.371 3.205 88 LEU ATOM 3089 CA LEU 106 18.616 40.726 -0.288 89 ILE ATOM 3090 CA ARG 107 22.161 41.033 -1.447 90 TYR ATOM 3091 CA THR 108 22.614 43.710 -4.074 91 THR ATOM 3092 CA PHE 109 26.350 44.239 -3.873 92 GLY ATOM 3093 CA GLU 110 25.731 47.929 -3.341 93 PHE ATOM 3094 CA ARG 111 27.417 47.657 0.096 94 SER ATOM 3095 CA VAL 112 30.631 47.633 -1.916 95 LYS ATOM 3096 CA PRO 113 30.068 51.397 -2.204 96 TYR ATOM 3097 CA ALA 114 28.564 59.363 -2.096 100 ASP ATOM 3098 CA ASN 115 27.769 57.085 -5.062 101 GLU ATOM 3099 CA TRP 116 26.104 54.717 -2.620 102 TYR ATOM 3100 CA PRO 117 22.975 56.831 -2.251 103 PHE ATOM 3101 CA GLU 118 22.479 56.818 -6.043 104 GLU ATOM 3102 CA GLY 119 22.309 53.019 -6.143 105 LYS ATOM 3103 CA PHE 120 18.581 52.133 -5.992 106 ILE ATOM 3104 CA CYS 121 17.670 48.489 -6.153 107 PRO ATOM 3105 CA ALA 122 14.969 47.227 -8.457 108 GLU ATOM 3106 CA ILE 123 13.210 44.342 -6.815 109 ILE ATOM 3107 CA ALA 126 10.862 42.677 -9.283 110 PRO ATOM 3108 CA THR 127 9.466 40.138 -6.783 111 PHE ATOM 3109 CA ILE 128 7.988 42.541 -4.251 112 LEU ATOM 3110 CA GLU 129 4.540 41.085 -5.121 113 ASP ATOM 3111 CA CYS 130 5.705 37.689 -3.993 114 ASP ATOM 3112 CA LEU 131 7.130 39.046 -0.753 115 ILE ATOM 3113 CA ALA 132 3.745 40.655 0.018 116 ILE ATOM 3114 CA GLU 133 2.026 37.248 -0.478 117 LYS ATOM 3115 CA ARG 134 4.560 35.341 1.662 118 SER ATOM 3116 CA GLY 135 4.791 35.030 5.419 119 ASN ATOM 3117 CA VAL 136 8.024 37.040 5.450 120 ILE ATOM 3118 CA ARG 137 8.064 39.452 8.436 121 LYS ATOM 3119 CA LEU 138 11.041 41.651 7.547 122 CYS ATOM 3120 CA VAL 139 13.198 42.385 4.532 123 VAL ATOM 3121 CA GLY 140 16.798 43.532 4.869 124 GLY ATOM 3122 CA ILE 141 19.103 44.841 2.186 125 ILE ATOM 3123 CA ASP 142 22.684 45.954 1.726 126 ASP ATOM 3124 CA THR 143 21.593 49.223 0.151 127 ALA ATOM 3125 CA PRO 144 20.219 52.596 1.180 128 CYS ATOM 3126 CA SER 145 16.670 51.690 0.142 129 THR ATOM 3127 CA LEU 146 14.411 48.931 -1.137 130 ILE ATOM 3128 CA ASP 147 12.794 51.576 -3.366 131 GLY ATOM 3129 CA PRO 148 10.647 54.737 -3.227 132 GLY ATOM 3130 CA LEU 154 7.850 55.884 -0.926 133 PHE ATOM 3131 CA ASP 155 5.449 53.530 -2.682 134 GLU ATOM 3132 CA ALA 156 7.695 50.459 -2.231 135 GLU ATOM 3133 CA HIS 157 8.256 51.298 1.440 136 HIS ATOM 3134 CA HIS 158 4.581 51.810 2.069 137 LYS ATOM 3135 CA ALA 159 3.687 48.651 0.160 138 ARG ATOM 3136 CA VAL 160 5.806 46.617 2.531 139 LEU ATOM 3137 CA GLY 161 5.104 48.581 5.738 140 LEU ATOM 3138 CA ARG 162 1.349 48.790 5.093 141 SER ATOM 3139 CA HIS 163 1.343 44.996 4.887 142 ASN ATOM 3140 CA GLY 164 3.180 44.536 8.191 143 ASN ATOM 3141 CA MET 165 6.571 43.823 6.683 144 ILE ATOM 3142 CA ALA 166 9.478 45.719 8.289 145 LEU ATOM 3143 CA ILE 167 12.510 46.958 6.385 146 ILE ATOM 3144 CA LEU 168 16.158 47.002 7.375 147 ILE ATOM 3145 CA GLU 169 18.497 49.167 5.259 148 GLU ATOM 3146 CA GLY 170 22.301 49.622 5.041 149 ASN ATOM 3147 CA VAL 171 23.286 46.086 5.929 150 LEU ATOM 3148 CA VAL 172 26.898 45.319 5.256 151 ASN ATOM 3149 CA LEU 173 25.288 39.377 3.196 154 LEU ATOM 3150 CA ASP 174 27.435 38.106 0.304 155 LYS ATOM 3151 CA ASP 175 28.560 35.268 2.604 156 ASN ATOM 3152 CA VAL 176 24.966 34.343 3.388 157 LEU ATOM 3153 CA PRO 177 23.573 33.954 -0.121 158 VAL ATOM 3154 CA ALA 178 21.915 30.552 -0.453 159 GLY ATOM 3155 CA GLY 179 22.495 29.860 3.220 160 LYS ATOM 3156 CA ASP 180 19.977 29.380 5.990 161 SER ATOM 3157 CA TYR 181 20.902 31.043 9.274 162 PHE ATOM 3158 CA GLU 182 19.154 32.443 12.299 163 TYR ATOM 3159 CA LEU 183 18.756 36.226 12.232 164 PHE ATOM 3160 CA LEU 184 18.728 38.596 15.201 165 LEU ATOM 3161 CA ALA 185 18.087 42.384 14.844 166 GLY ATOM 3162 CA LEU 186 18.318 44.317 18.115 167 LEU ATOM 3163 CA PRO 187 17.244 47.950 17.776 168 PRO ATOM 3164 CA LEU 188 17.479 50.814 20.156 169 LEU ATOM 3165 CA LYS 189 14.506 49.983 22.377 170 LYS ATOM 3166 CA PHE 190 12.277 52.837 21.274 171 ILE ATOM 3167 CA THR 191 8.642 52.366 20.422 172 PHE ATOM 3168 CA HIS 192 6.505 54.989 18.677 173 ASP ATOM 3169 CA LEU 193 9.331 56.074 16.383 174 ILE ATOM 3170 CA ASP 194 9.598 55.988 12.602 175 ASP ATOM 3171 CA ALA 195 12.901 54.172 12.587 176 ALA ATOM 3172 CA SER 196 15.750 53.019 14.821 177 SER ATOM 3173 CA PRO 197 19.425 52.132 14.539 178 PRO ATOM 3174 CA VAL 198 19.564 48.330 14.621 179 ILE ATOM 3175 CA ARG 199 22.411 45.886 15.329 180 ARG ATOM 3176 CA ALA 200 21.981 42.815 13.107 181 CYS ATOM 3177 CA VAL 201 23.705 39.443 13.254 182 ILE ATOM 3178 CA LEU 202 23.469 36.045 11.577 183 ALA ATOM 3179 CA ARG 203 23.939 32.923 13.672 184 ILE ATOM 3180 CA ALA 204 25.214 30.199 11.336 185 LEU ATOM 3181 CA LEU 205 24.895 26.463 11.709 186 GLU TER