3 158 (N_temp, Lch) 122 37.650 1 3wssA1 ATOM 1001 CA PRO 1 -5.891 20.081 11.863 151 PRO ATOM 1002 CA LEU 2 -8.464 19.191 9.229 152 SER ATOM 1003 CA ILE 3 -8.763 22.295 7.173 153 THR ATOM 1004 CA ALA 4 -6.843 25.587 6.550 154 GLY ATOM 1005 CA GLY 5 -7.145 28.840 4.687 155 ASN ATOM 1006 CA MET 6 -4.740 31.423 3.340 156 VAL ATOM 1007 CA TYR 7 -5.941 35.043 3.360 157 TYR ATOM 1008 CA LEU 8 -4.399 38.114 1.493 158 ILE ATOM 1009 CA MET 9 -5.260 41.680 2.177 159 VAL ATOM 1010 CA MET 10 -4.262 44.507 -0.232 160 PRO ATOM 1011 CA SER 11 1.818 51.445 2.438 163 SER ATOM 1012 CA VAL 12 18.276 58.523 -6.740 175 LEU ATOM 1013 CA ASP 13 15.973 61.511 -7.469 176 ASN ATOM 1014 CA THR 14 12.608 60.575 -5.977 177 GLY ATOM 1015 CA VAL 15 10.343 60.795 -9.052 178 GLU ATOM 1016 CA ILE 16 9.481 57.182 -13.697 180 ASP ATOM 1017 CA PRO 17 13.020 56.535 -12.365 181 GLU ATOM 1018 CA PRO 18 13.727 52.966 -13.439 182 GLU ATOM 1019 CA GLY 19 11.114 41.221 -6.799 189 GLY ATOM 1020 CA GLU 20 12.144 37.723 -5.641 190 THR ATOM 1021 CA LYS 21 10.092 34.869 -4.663 191 ALA ATOM 1022 CA VAL 22 12.171 34.735 -1.505 192 ALA ATOM 1023 CA VAL 23 9.811 34.766 1.448 193 VAL ATOM 1024 CA ASN 24 8.242 37.125 7.013 195 ASP ATOM 1025 CA ALA 25 7.171 39.962 9.200 196 VAL ATOM 1026 CA ASP 26 5.420 40.591 12.504 197 GLN ATOM 1027 CA ILE 27 -0.708 55.131 10.064 204 HIS ATOM 1028 CA SER 28 1.856 53.093 8.068 205 GLU ATOM 1029 CA CYS 29 -0.701 51.220 6.020 206 PHE ATOM 1030 CA GLN 30 -4.243 51.348 4.695 207 ARG ATOM 1031 CA TYR 31 -6.293 48.223 3.910 208 GLU ATOM 1032 CA LYS 32 -8.066 48.592 0.596 209 LEU ATOM 1033 CA MET 33 -10.314 45.625 0.900 210 SER ATOM 1034 CA TYR 34 -11.636 43.007 3.240 211 GLU ATOM 1035 CA PRO 35 -9.323 39.911 3.455 212 PRO ATOM 1036 CA MET 36 -9.560 37.674 0.469 213 ILE ATOM 1037 CA HIS 37 -9.476 33.926 0.660 214 VAL ATOM 1038 CA VAL 38 -6.564 33.062 -1.636 215 ALA ATOM 1039 CA PHE 39 -6.593 29.289 -0.921 216 PHE ATOM 1040 CA ALA 40 -8.597 26.699 0.970 217 LYS ATOM 1041 CA TYR 41 -6.969 23.427 1.853 218 PHE ATOM 1042 CA ARG 42 -8.544 20.277 3.118 219 ASP ATOM 1043 CA VAL 43 -6.049 17.919 4.800 220 PHE ATOM 1044 CA HIS 44 -8.459 14.981 5.246 221 GLU ATOM 1045 CA THR 45 -9.123 14.116 1.608 222 HIS ATOM 1046 CA HIS 46 -6.155 12.742 -0.473 223 GLU ATOM 1047 CA HIS 47 -7.751 13.830 -3.808 224 GLU ATOM 1048 CA LEU 48 -8.458 17.411 -2.790 225 LYS ATOM 1049 CA GLY 49 -4.055 28.963 -9.752 231 SER ATOM 1050 CA LYS 50 -7.335 30.782 -9.064 232 PHE ATOM 1051 CA VAL 51 -8.495 34.221 -9.980 233 VAL ATOM 1052 CA VAL 52 -10.195 35.732 -6.981 234 ARG ATOM 1053 CA SER 53 -12.476 38.753 -6.599 235 GLU ATOM 1054 CA GLY 54 -13.100 41.418 -4.067 236 ALA ATOM 1055 CA TYR 55 -14.554 44.840 -3.674 237 VAL ATOM 1056 CA ARG 56 -12.342 47.844 -2.911 238 ALA ATOM 1057 CA VAL 57 -13.624 49.821 0.050 239 HIS ATOM 1058 CA ARG 58 -11.039 52.517 -0.721 240 SER ATOM 1059 CA ASN 59 -9.375 53.954 -3.731 241 SER ATOM 1060 CA GLY 60 -5.624 53.497 -3.685 242 GLY ATOM 1061 CA GLN 61 -2.656 51.563 -4.972 243 THR ATOM 1062 CA TRP 62 -1.421 34.791 6.805 250 TRP ATOM 1063 CA THR 63 -3.408 31.596 7.376 251 TRP ATOM 1064 CA LEU 64 -5.685 29.849 9.772 252 ASP ATOM 1065 CA ILE 65 -6.292 26.260 10.417 253 ILE ATOM 1066 CA GLY 66 -11.131 19.550 14.127 256 ASP ATOM 1067 CA ARG 67 -3.292 41.771 16.245 268 LYS ATOM 1068 CA GLN 68 1.854 36.305 19.942 277 TRP ATOM 1069 CA ASN 69 4.348 33.965 18.392 278 ARG ATOM 1070 CA PRO 70 7.551 33.937 16.394 279 ASP ATOM 1071 CA GLN 71 8.083 30.599 14.704 280 HIS ATOM 1072 CA LEU 72 4.962 31.665 12.784 281 TRP ATOM 1073 CA PRO 73 4.294 35.223 11.744 282 MET ATOM 1074 CA GLN 74 2.645 36.820 8.714 283 GLN ATOM 1075 CA ALA 75 4.120 37.407 5.266 284 ALA ATOM 1076 CA PHE 76 4.331 40.204 2.669 285 VAL ATOM 1077 CA TYR 77 4.009 39.560 -1.065 286 TYR ATOM 1078 CA PRO 78 4.265 42.178 -3.945 287 TYR ATOM 1079 CA VAL 79 2.461 42.218 -7.365 288 LEU ATOM 1080 CA GLU 80 4.926 42.053 -10.408 289 PRO ATOM 1081 CA HIS 81 3.435 45.407 -11.729 290 GLU ATOM 1082 CA PRO 82 1.503 48.333 -10.263 291 LYS ATOM 1083 CA VAL 83 -2.201 47.766 -9.605 292 LYS ATOM 1084 CA ASP 84 -4.587 50.619 -8.678 293 LYS ATOM 1085 CA VAL 85 -7.980 50.238 -7.135 294 VAL ATOM 1086 CA THR 86 -11.105 52.389 -6.661 295 GLU ATOM 1087 CA PHE 87 -14.069 51.944 -4.325 296 MET ATOM 1088 CA GLY 88 -16.515 50.345 -4.775 297 ASN ATOM 1089 CA ASP 89 -14.972 48.655 -7.816 298 GLN ATOM 1090 CA ILE 90 -14.561 44.964 -8.265 299 THR ATOM 1091 CA LEU 91 -10.953 43.763 -8.668 300 PHE ATOM 1092 CA ALA 92 -9.222 40.466 -9.239 301 GLU ATOM 1093 CA ALA 93 -5.953 39.006 -7.806 302 ILE ATOM 1094 CA ARG 94 -4.633 35.864 -9.458 303 VAL ATOM 1095 CA CYS 95 -3.601 33.481 -6.623 304 CYS ATOM 1096 CA VAL 96 -0.838 30.979 -7.337 305 ASN ATOM 1097 CA PHE 97 0.927 28.126 -5.628 306 HIS ATOM 1098 CA THR 98 3.208 25.178 -6.239 307 ASP ATOM 1099 CA GLY 99 4.203 22.509 -3.804 308 GLU ATOM 1100 CA GLU 100 6.070 24.878 -1.470 309 PHE ATOM 1101 CA GLY 101 5.388 28.399 -2.500 310 SER ATOM 1102 CA THR 106 2.831 31.077 -3.042 311 LEU ATOM 1103 CA HIS 107 2.826 34.016 -5.429 312 TRP ATOM 1104 CA ILE 108 0.383 36.561 -6.662 313 PHE ATOM 1105 CA GLY 109 -0.114 38.023 -10.149 314 SER ATOM 1106 CA GLY 110 -2.316 40.418 -12.120 315 ASN ATOM 1107 CA THR 111 -5.079 39.254 -14.555 316 VAL ATOM 1108 CA SER 112 -4.004 38.923 -18.200 317 GLY ATOM 1109 CA SER 113 -0.353 39.004 -17.082 318 LYS ATOM 1110 CA ASP 114 1.253 35.561 -17.190 319 ASP ATOM 1111 CA MET 125 0.674 33.114 -14.279 320 LYS ATOM 1112 CA GLU 126 4.121 31.637 -13.437 321 SER ATOM 1113 CA LEU 131 6.553 32.464 -10.641 322 ARG ATOM 1114 CA SER 132 8.762 35.543 -11.166 323 SER ATOM 1115 CA PHE 133 12.444 35.928 -10.025 324 TYR ATOM 1116 CA MET 134 14.737 38.963 -9.586 325 CYS ATOM 1117 CA THR 135 16.098 40.529 -12.773 326 VAL ATOM 1118 CA CYS 136 16.875 43.782 -10.689 327 CYS ATOM 1119 CA THR 137 19.775 41.654 -9.334 328 GLY ATOM 1120 CA LYS 138 18.859 43.712 -6.273 329 LEU ATOM 1121 CA ASN 139 16.213 41.569 -4.603 330 HIS ATOM 1122 CA VAL 140 18.402 38.496 -4.815 331 SER TER 109 25.170 2 5kcaA5 ATOM 2001 CA LEU 2 -93.002 -80.954 -6.521 8 PHE ATOM 2002 CA ILE 3 -89.361 -80.445 -5.574 9 SER ATOM 2003 CA ALA 4 -86.313 -82.517 -6.491 10 ALA ATOM 2004 CA GLY 5 -82.585 -82.222 -5.863 11 ILE ATOM 2005 CA MET 9 -79.359 -83.967 -6.871 12 ARG ATOM 2006 CA MET 10 -77.855 -85.337 -3.668 13 SER ATOM 2007 CA SER 11 -74.790 -87.003 -5.218 14 THR ATOM 2008 CA ASP 13 -71.583 -86.308 -7.140 15 ASN ATOM 2009 CA VAL 15 -72.044 -89.430 -9.284 16 HIS ATOM 2010 CA ILE 16 -71.523 -89.173 -13.040 17 GLU ATOM 2011 CA PRO 17 -74.537 -89.203 -15.388 18 PRO ATOM 2012 CA PRO 18 -76.245 -92.441 -16.425 19 SER ATOM 2013 CA GLY 19 -75.082 -92.781 -20.047 20 GLU ATOM 2014 CA GLU 20 -76.622 -89.385 -20.805 21 MET ATOM 2015 CA LYS 21 -80.493 -85.701 -22.714 23 MET ATOM 2016 CA VAL 22 -82.845 -85.142 -19.764 24 ILE ATOM 2017 CA VAL 23 -81.364 -83.912 -16.462 25 ILE ATOM 2018 CA ASN 24 -88.466 -83.722 -1.305 31 LEU ATOM 2019 CA ALA 25 -92.013 -82.786 -2.315 32 VAL ATOM 2020 CA ASP 26 -94.471 -84.519 -4.642 33 ASN ATOM 2021 CA ILE 27 -93.717 -83.244 -14.502 45 PHE ATOM 2022 CA SER 28 -97.116 -84.068 -16.001 46 ILE ATOM 2023 CA CYS 29 -99.697 -81.346 -15.422 47 ALA ATOM 2024 CA GLN 30 -102.825 -82.953 -13.890 48 PRO ATOM 2025 CA MET 33 -105.105 -80.082 -14.935 49 ARG ATOM 2026 CA TYR 34 -105.436 -76.767 -16.745 50 LYS ATOM 2027 CA PRO 35 -103.866 -73.920 -14.811 51 GLY ATOM 2028 CA MET 36 -100.918 -71.592 -14.369 52 ILE ATOM 2029 CA HIS 37 -97.783 -73.363 -13.189 53 TYR ATOM 2030 CA VAL 38 -94.557 -72.050 -11.729 54 SER ATOM 2031 CA PHE 39 -91.153 -73.553 -12.418 55 PHE ATOM 2032 CA ALA 40 -87.763 -72.774 -10.992 56 ASN ATOM 2033 CA TYR 41 -84.554 -74.683 -11.554 57 PHE ATOM 2034 CA ARG 42 -80.947 -74.435 -10.448 58 HIS ATOM 2035 CA VAL 43 -78.457 -76.694 -12.236 59 VAL ATOM 2036 CA HIS 44 -74.962 -76.765 -10.755 60 VAL ATOM 2037 CA THR 45 -72.176 -77.481 -13.232 61 LYS ATOM 2038 CA HIS 46 -68.745 -78.124 -11.751 62 VAL ATOM 2039 CA HIS 47 -66.117 -76.681 -14.106 63 TYR ATOM 2040 CA LEU 48 -65.729 -79.534 -16.590 64 ASN ATOM 2041 CA GLY 49 -63.965 -77.227 -19.048 65 ARG ATOM 2042 CA LYS 50 -67.137 -76.753 -21.074 66 GLN ATOM 2043 CA VAL 51 -70.113 -74.398 -21.182 67 THR ATOM 2044 CA VAL 52 -73.623 -75.793 -20.680 68 ILE ATOM 2045 CA SER 53 -77.124 -74.785 -21.735 69 GLN ATOM 2046 CA GLY 54 -80.104 -75.890 -19.655 70 VAL ATOM 2047 CA TYR 55 -83.621 -75.380 -20.995 71 SER ATOM 2048 CA ARG 56 -87.030 -75.970 -19.485 72 LEU ATOM 2049 CA VAL 57 -89.002 -78.049 -21.973 73 MET ATOM 2050 CA ARG 58 -92.750 -78.073 -22.504 74 LEU ATOM 2051 CA ASN 59 -93.665 -81.029 -24.721 75 ASN ATOM 2052 CA GLY 60 -90.239 -81.022 -26.343 76 GLY ATOM 2053 CA GLN 61 -90.204 -77.271 -26.922 77 TRP ATOM 2054 CA TRP 62 -89.640 -72.203 -22.909 79 VAL ATOM 2055 CA THR 63 -86.803 -70.663 -20.911 80 ILE ATOM 2056 CA LEU 64 -83.065 -71.325 -21.025 81 SER ATOM 2057 CA ILE 65 -80.052 -70.731 -18.798 82 ALA ATOM 2058 CA GLY 66 -76.285 -70.879 -19.215 83 PHE ATOM 2059 CA ARG 67 -73.330 -71.788 -17.021 84 ALA ATOM 2060 CA GLN 68 -69.845 -73.228 -17.426 85 GLY ATOM 2061 CA ASN 69 -68.107 -70.010 -18.434 86 ASP ATOM 2062 CA PRO 70 -65.182 -68.779 -16.279 87 GLN ATOM 2063 CA GLN 71 -63.100 -71.035 -14.003 88 ASP ATOM 2064 CA LEU 72 -65.528 -70.837 -11.087 89 VAL ATOM 2065 CA PRO 73 -65.620 -74.073 -9.077 90 THR ATOM 2066 CA GLN 74 -69.402 -74.431 -8.851 91 ARG ATOM 2067 CA ALA 75 -71.705 -72.395 -11.082 92 GLU ATOM 2068 CA PHE 76 -75.411 -72.658 -11.714 93 ALA ATOM 2069 CA TYR 77 -77.634 -72.360 -14.752 94 ALA ATOM 2070 CA PRO 78 -80.761 -70.877 -13.205 95 SER ATOM 2071 CA VAL 79 -84.011 -69.483 -14.496 96 ASN ATOM 2072 CA GLU 80 -87.707 -69.540 -13.744 97 GLY ATOM 2073 CA HIS 81 -91.028 -68.864 -15.380 98 VAL ATOM 2074 CA PRO 82 -94.781 -69.024 -15.071 99 LEU ATOM 2075 CA VAL 83 -96.493 -70.989 -17.825 100 ILE ATOM 2076 CA ASP 84 -99.967 -72.196 -18.657 101 GLN ATOM 2077 CA VAL 85 -100.228 -75.959 -18.972 102 MET ATOM 2078 CA THR 86 -103.004 -78.231 -20.168 103 GLU ATOM 2079 CA PHE 87 -103.747 -81.647 -18.701 104 LYS ATOM 2080 CA GLY 88 -101.059 -84.147 -19.634 105 GLY ATOM 2081 CA ASP 89 -98.592 -81.459 -20.681 106 ASP ATOM 2082 CA ILE 90 -95.058 -82.561 -19.830 107 ARG ATOM 2083 CA LEU 91 -92.460 -80.245 -18.322 108 ALA ATOM 2084 CA ALA 92 -88.823 -81.241 -17.894 109 TYR ATOM 2085 CA ALA 93 -85.200 -80.090 -18.118 110 LEU ATOM 2086 CA ARG 94 -83.038 -80.961 -21.108 111 LYS ATOM 2087 CA CYS 95 -79.307 -80.435 -21.430 112 LEU ATOM 2088 CA VAL 96 -79.334 -78.717 -24.809 113 GLU ATOM 2089 CA PHE 97 -75.595 -78.046 -24.825 114 ARG ATOM 2090 CA THR 98 -72.482 -79.303 -23.079 115 GLY ATOM 2091 CA GLY 99 -72.153 -82.091 -20.527 116 ASN ATOM 2092 CA GLU 100 -72.363 -82.637 -16.762 117 LEU ATOM 2093 CA GLY 101 -68.961 -84.173 -15.924 118 MET ATOM 2094 CA ILE 108 -68.185 -83.935 -12.231 119 GLY ATOM 2095 CA GLY 109 -71.808 -84.568 -11.377 120 GLY ATOM 2096 CA GLY 110 -74.432 -81.904 -10.763 121 TRP ATOM 2097 CA THR 111 -74.762 -82.156 -6.984 122 LYS ATOM 2098 CA ASP 114 -76.890 -79.423 -5.360 123 TYR ATOM 2099 CA GLU 115 -78.910 -79.007 -8.541 124 SER ATOM 2100 CA MET 116 -82.578 -78.254 -7.828 125 THR ATOM 2101 CA CYS 117 -85.843 -78.497 -9.752 126 PHE ATOM 2102 CA ASN 118 -89.177 -77.453 -8.311 127 SER ATOM 2103 CA LEU 119 -92.559 -76.177 -9.393 128 GLY ATOM 2104 CA TYR 120 -96.157 -75.789 -8.285 129 PHE ATOM 2105 CA ILE 121 -99.664 -74.846 -9.366 130 LEU ATOM 2106 CA MET 122 -100.301 -71.162 -8.748 131 VAL ATOM 2107 CA TYR 123 -103.982 -71.686 -9.555 132 PHE ATOM 2108 CA MET 125 -106.143 -73.857 -11.843 133 PRO ATOM 2109 CA GLU 126 -108.174 -72.532 -14.790 134 LEU TER 27 20.190 3 2liyA ATOM 3001 CA SER 132 7.066 -5.933 -2.061 9 THR ATOM 3002 CA PHE 133 5.694 -9.403 -2.923 10 TYR ATOM 3003 CA MET 134 7.045 -10.547 0.484 11 ASN ATOM 3004 CA THR 135 4.075 -8.603 1.851 12 GLU ATOM 3005 CA CYS 136 2.061 -11.690 0.851 13 CYS ATOM 3006 CA THR 137 4.572 -14.199 2.325 14 ARG ATOM 3007 CA LYS 138 2.338 -17.305 2.460 15 GLY ATOM 3008 CA ASN 139 -0.125 -17.320 -0.469 16 CYS ATOM 3009 CA VAL 140 1.051 -18.065 -4.042 17 ARG ATOM 3010 CA ALA 141 -0.530 -15.682 -6.596 18 TYR ATOM 3011 CA PRO 142 0.008 -12.105 -7.863 19 LYS ATOM 3012 CA ASP 143 1.039 -9.709 -5.063 20 CYS ATOM 3013 CA MET 144 0.655 -5.905 -5.123 21 ARG ATOM 3014 CA PHE 145 -0.127 -2.976 -2.817 22 ALA ATOM 3015 CA ARG 146 -2.245 0.139 -3.483 23 GLU ATOM 3016 CA THR 147 -3.710 3.236 -1.800 24 GLN ATOM 3017 CA ILE 148 -7.097 2.852 -0.069 25 VAL ATOM 3018 CA PRO 149 -8.793 6.094 0.994 26 PRO ATOM 3019 CA ALA 150 -11.796 6.011 3.361 27 VAL ATOM 3020 CA GLU 151 -12.849 9.614 4.082 28 GLU ATOM 3021 CA ALA 152 -13.390 10.403 0.373 29 GLY ATOM 3022 CA ASN 153 -11.096 13.335 -0.523 30 ASN ATOM 3023 CA ILE 154 -13.216 16.476 -1.095 31 ASP ATOM 3024 CA PRO 155 -12.803 17.552 2.546 32 PRO ATOM 3025 CA ILE 156 -9.418 17.779 4.335 33 ILE ATOM 3026 CA PRO 157 -6.854 15.223 3.087 34 ASN ATOM 3027 CA VAL 158 -5.897 13.047 6.084 35 SER TER