5 109 (N_temp, Lch) 81 20.180 1 4q5yA ATOM 1001 CA ARG 16 17.180 -2.495 -11.681 224 ASP ATOM 1002 CA GLY 17 13.493 -2.891 -10.909 225 LEU ATOM 1003 CA GLU 19 12.045 -6.439 -11.220 226 PRO ATOM 1004 CA LYS 20 9.197 -7.081 -13.659 227 ALA ATOM 1005 CA LEU 21 5.614 -6.919 -12.421 228 PHE ATOM 1006 CA VAL 22 3.582 -10.079 -13.061 229 SER ATOM 1007 CA ASP 23 0.367 -10.282 -11.000 230 ASP ATOM 1008 CA LEU 24 -1.614 -7.794 -13.092 231 LEU ATOM 1009 CA LYS 25 -4.671 -7.788 -10.811 232 LYS ATOM 1010 CA ARG 26 -7.035 -4.803 -10.689 233 GLU ATOM 1011 CA GLY 27 -5.845 -1.807 -8.690 234 GLY ATOM 1012 CA VAL 28 -2.415 -3.267 -8.017 235 ALA ATOM 1013 CA TYR 29 0.374 -0.735 -7.462 236 LEU ATOM 1014 CA LEU 30 3.651 -0.709 -9.344 237 CYS ATOM 1015 CA VAL 31 5.874 1.269 -11.646 238 VAL ATOM 1016 CA ARG 32 4.790 1.279 -15.273 239 ALA ATOM 1017 CA VAL 33 6.149 2.798 -18.433 240 GLN ATOM 1018 CA HIS 34 4.174 5.423 -20.275 241 PHE ATOM 1019 CA LEU 35 4.278 5.138 -24.099 242 PRO ATOM 1020 CA PRO 36 4.588 8.789 -25.297 243 GLU ATOM 1021 CA ASP 37 7.211 9.232 -22.566 244 ASP ATOM 1022 CA GLY 38 8.876 5.828 -22.366 245 GLU ATOM 1023 CA LYS 39 9.497 6.547 -18.687 246 VAL ATOM 1024 CA LYS 40 8.511 4.682 -15.553 247 PHE ATOM 1025 CA LYS 41 6.030 6.197 -13.110 248 TYR ATOM 1026 CA PHE 42 4.186 5.002 -10.052 249 ARG ATOM 1027 CA GLY 43 0.940 3.597 -11.380 250 ALA ATOM 1028 CA VAL 44 -2.114 1.563 -10.551 251 GLN ATOM 1029 CA MET 45 -3.769 -0.901 -12.911 252 ILE ATOM 1030 CA ASN 46 -7.194 0.354 -13.915 253 ARG ATOM 1031 CA VAL 47 -8.228 -2.263 -16.465 254 LYS ATOM 1032 CA GLY 48 -6.417 -5.539 -17.177 255 VAL ATOM 1033 CA PHE 49 -6.544 -6.079 -20.922 256 LEU ATOM 1034 CA ARG 50 -5.747 -9.198 -23.006 257 ASP ATOM 1035 CA ARG 51 -1.951 -9.671 -23.595 258 ASP ATOM 1036 CA VAL 53 0.200 -8.244 -20.734 259 GLY ATOM 1037 CA LYS 54 -1.296 -4.960 -21.615 260 LYS ATOM 1038 CA TYR 55 -3.296 -2.964 -19.114 261 CYS ATOM 1039 CA GLU 56 -4.677 0.477 -18.668 262 GLU ATOM 1040 CA VAL 57 -2.887 2.197 -15.824 263 VAL ATOM 1041 CA TYR 58 -3.491 5.458 -14.046 264 HIS ATOM 1042 CA ILE 59 -0.442 7.519 -13.170 265 PHE ATOM 1043 CA LEU 60 -1.227 8.404 -9.585 266 ILE ATOM 1044 CA ASP 61 1.396 11.145 -9.572 267 ASP ATOM 1045 CA PHE 62 0.392 12.911 -12.760 268 PHE ATOM 1046 CA GLU 63 -3.259 11.958 -12.780 269 GLY ATOM 1047 CA GLN 69 -3.525 10.595 -16.317 270 ASN ATOM 1048 CA ARG 70 -4.240 7.230 -17.941 271 ASN ATOM 1049 CA LEU 71 -2.634 5.239 -20.731 272 ALA ATOM 1050 CA LYS 72 -2.073 1.634 -21.732 273 VAL ATOM 1051 CA LEU 73 1.327 -0.005 -21.448 274 THR ATOM 1052 CA GLU 74 3.127 -3.298 -21.960 275 GLN ATOM 1053 CA PHE 78 5.791 -2.534 -19.337 276 GLN ATOM 1054 CA MET 79 5.333 -3.209 -15.631 277 PHE ATOM 1055 CA ARG 80 7.874 -3.345 -12.839 278 ARG ATOM 1056 CA ASP 81 7.672 -3.836 -9.080 279 GLN ATOM 1057 CA GLU 82 7.412 -0.850 -6.775 280 LEU ATOM 1058 CA LYS 83 9.715 -0.809 -3.736 281 PRO ATOM 1059 CA LYS 84 7.907 -0.400 -0.395 282 GLU ATOM 1060 CA GLU 85 -18.518 22.220 -4.893 297 ASP ATOM 1061 CA GLU 86 -22.131 22.267 -6.118 298 ALA ATOM 1062 CA LEU 87 -22.608 26.041 -5.764 299 SER ATOM 1063 CA LYS 88 -19.806 26.665 -8.223 300 THR ATOM 1064 CA ALA 90 -20.821 23.934 -10.684 301 ILE ATOM 1065 CA ILE 91 -24.160 25.669 -10.551 302 SER ATOM 1066 CA ASP 92 -23.117 29.291 -11.127 303 LYS ATOM 1067 CA GLN 93 -20.816 28.214 -13.973 304 CYS ATOM 1068 CA ASP 94 -21.171 27.409 -17.659 305 ASP ATOM 1069 CA VAL 95 -19.596 23.990 -18.073 306 ALA ATOM 1070 CA LYS 96 -18.646 25.416 -21.470 307 ALA ATOM 1071 CA SER 97 -16.435 28.403 -20.627 308 LEU ATOM 1072 CA ALA 98 -14.908 26.466 -17.744 309 LEU ATOM 1073 CA ARG 99 -13.319 23.866 -19.973 310 GLN ATOM 1074 CA ASN 100 -12.002 26.528 -22.321 311 SER ATOM 1075 CA MET 101 -10.594 28.792 -19.618 312 PHE ATOM 1076 CA ILE 102 -8.700 25.893 -18.031 313 ILE ATOM 1077 CA ASP 103 -7.415 24.773 -21.452 314 ASP ATOM 1078 CA ASP 104 -5.987 28.181 -22.266 315 THR ATOM 1079 CA ILE 105 -4.083 28.254 -18.942 316 ARG ATOM 1080 CA ILE 106 -3.120 24.597 -18.598 317 PHE ATOM 1081 CA ASN 107 0.319 25.425 -17.173 318 SER TER 61 19.950 2 3e56A ATOM 2001 CA LEU 24 22.647 51.964 11.601 1 LEU ATOM 2002 CA LYS 25 20.736 48.647 11.631 2 GLU ATOM 2003 CA ARG 26 18.479 48.323 8.545 3 VAL ATOM 2004 CA GLY 27 15.679 45.886 7.787 4 GLY ATOM 2005 CA VAL 28 13.521 44.913 4.864 5 VAL ATOM 2006 CA TYR 29 9.948 45.972 5.495 6 TYR ATOM 2007 CA LEU 30 6.783 45.004 3.697 7 GLU ATOM 2008 CA VAL 31 4.581 48.054 3.827 8 CYS ATOM 2009 CA ARG 32 1.069 48.982 2.945 9 GLU ATOM 2010 CA VAL 33 -0.473 52.453 2.750 10 ILE ATOM 2011 CA HIS 34 -4.183 52.997 2.145 11 HIS ATOM 2012 CA LEU 35 -5.271 56.639 2.257 12 LEU ATOM 2013 CA PRO 36 -8.474 58.405 1.267 13 LYS ATOM 2014 CA GLY 38 -8.443 62.168 1.374 14 PHE ATOM 2015 CA LYS 39 -9.825 65.371 -0.168 15 ARG ATOM 2016 CA VAL 47 -7.400 67.887 -1.590 16 LEU ATOM 2017 CA GLY 48 -7.534 71.360 -3.060 17 ILE ATOM 2018 CA PHE 49 -5.030 71.424 -5.945 18 GLU ATOM 2019 CA ARG 50 -4.265 73.269 -9.157 19 GLU ATOM 2020 CA ARG 51 -5.837 71.456 -12.095 20 LYS ATOM 2021 CA ASN 52 -2.661 71.711 -14.227 21 SER ATOM 2022 CA VAL 53 3.598 62.997 -11.949 28 GLN ATOM 2023 CA LYS 54 0.156 62.458 -10.372 29 LEU ATOM 2024 CA TYR 55 1.290 60.322 -7.462 30 LEU ATOM 2025 CA GLU 56 4.169 62.605 -6.650 31 GLN ATOM 2026 CA VAL 57 1.845 65.636 -6.608 32 VAL ATOM 2027 CA ILE 59 -0.384 63.787 -4.127 33 LEU ATOM 2028 CA LEU 60 2.585 62.626 -1.972 34 LEU ATOM 2029 CA ASP 61 3.781 66.276 -1.853 35 ASP ATOM 2030 CA PHE 62 2.757 69.267 3.467 39 GLU ATOM 2031 CA GLU 63 -0.295 68.135 5.485 40 GLY ATOM 2032 CA GLY 64 -1.986 71.579 5.487 41 SER ATOM 2033 CA ASP 65 -5.501 71.651 6.931 42 ASP ATOM 2034 CA LEU 66 -6.279 74.547 4.545 43 ASP ATOM 2035 CA TYR 67 -5.708 72.206 1.566 44 PHE ATOM 2036 CA GLY 68 -6.046 68.619 2.764 45 LEU ATOM 2037 CA GLN 69 -8.514 66.537 4.705 46 GLU ATOM 2038 CA ARG 70 -7.558 62.926 5.517 47 THR ATOM 2039 CA LEU 71 -10.667 60.779 5.504 48 LEU ATOM 2040 CA LYS 72 -9.293 57.265 6.030 49 GLN ATOM 2041 CA LEU 73 -5.692 56.152 6.754 50 ALA ATOM 2042 CA GLU 74 -4.187 52.721 7.192 51 SER ATOM 2043 CA VAL 75 -0.394 52.475 7.491 52 VAL ATOM 2044 CA LEU 76 1.330 49.105 8.005 53 LYS ATOM 2045 CA LYS 77 6.299 44.779 9.076 55 GLN ATOM 2046 CA PHE 78 9.854 43.494 9.004 56 GLU ATOM 2047 CA MET 79 10.280 40.491 6.714 57 VAL ATOM 2048 CA ARG 80 13.132 38.208 5.847 58 SER ATOM 2049 CA ASP 81 15.520 39.695 3.324 59 GLU ATOM 2050 CA GLU 82 15.025 36.725 0.947 60 PHE ATOM 2051 CA LYS 83 11.777 38.489 -0.027 61 LYS ATOM 2052 CA LYS 84 13.711 41.544 -1.349 62 ALA ATOM 2053 CA GLU 85 18.016 41.195 -6.387 64 PRO ATOM 2054 CA GLU 86 18.848 44.929 -6.547 65 GLN ATOM 2055 CA LEU 87 17.646 45.373 -2.934 66 MET ATOM 2056 CA LYS 88 19.490 42.263 -1.658 67 ARG ATOM 2057 CA ALA 89 22.719 43.681 -3.200 68 ARG ATOM 2058 CA ALA 90 22.007 46.997 -1.469 69 GLN ATOM 2059 CA ILE 91 21.574 45.179 1.820 70 LEU ATOM 2060 CA ASP 92 25.037 43.533 1.501 71 MET ATOM 2061 CA GLN 93 26.501 46.915 0.570 72 ARG TER 58 17.350 3 3nthA1 ATOM 3001 CA ARG 16 33.670 -6.207 21.897 18 ASP ATOM 3002 CA GLY 17 30.869 -8.673 22.552 19 LEU ATOM 3003 CA GLU 19 31.369 -10.722 25.756 20 PRO ATOM 3004 CA LYS 20 31.816 -14.477 25.768 21 ALA ATOM 3005 CA LEU 21 28.626 -16.541 25.967 22 PHE ATOM 3006 CA VAL 22 28.573 -19.615 28.210 23 SER ATOM 3007 CA ASP 23 24.973 -20.504 29.078 24 ASP ATOM 3008 CA LEU 24 24.872 -23.278 26.481 25 LEU ATOM 3009 CA LYS 25 21.507 -25.053 26.399 26 LYS ATOM 3010 CA ARG 26 18.740 -25.731 23.868 27 GLU ATOM 3011 CA GLY 27 16.653 -22.693 22.975 28 GLY ATOM 3012 CA VAL 28 19.340 -20.328 24.246 29 ALA ATOM 3013 CA TYR 29 19.455 -17.174 22.143 30 LEU ATOM 3014 CA LEU 30 22.842 -15.567 21.466 31 CYS ATOM 3015 CA VAL 31 25.362 -14.707 18.787 32 VAL ATOM 3016 CA ARG 32 27.176 -17.562 17.032 33 ALA ATOM 3017 CA VAL 33 29.865 -17.564 14.381 34 GLN ATOM 3018 CA HIS 34 28.959 -18.775 10.906 35 PHE ATOM 3019 CA LEU 35 31.794 -21.173 9.955 36 PRO ATOM 3020 CA PRO 36 31.361 -16.350 6.757 38 ASP ATOM 3021 CA GLY 38 33.367 -16.245 9.993 39 GLU ATOM 3022 CA LYS 39 30.890 -13.488 10.875 40 VAL ATOM 3023 CA LYS 40 28.722 -13.649 13.989 41 PHE ATOM 3024 CA LYS 41 24.922 -13.707 13.687 42 TYR ATOM 3025 CA PHE 42 21.833 -14.003 15.875 43 ARG ATOM 3026 CA GLY 43 21.440 -17.672 16.733 44 ALA ATOM 3027 CA VAL 44 19.480 -20.134 18.805 45 GLN ATOM 3028 CA MET 45 21.113 -23.245 20.273 46 ILE ATOM 3029 CA ASN 46 19.307 -26.238 18.793 47 ARG ATOM 3030 CA VAL 47 21.509 -29.049 20.075 48 LYS ATOM 3031 CA GLY 48 24.479 -29.138 22.417 49 VAL ATOM 3032 CA PHE 49 27.177 -31.441 21.124 50 LEU ATOM 3033 CA ARG 50 30.621 -32.248 22.515 51 ASP ATOM 3034 CA ARG 51 33.673 -30.034 23.030 52 ASP ATOM 3035 CA VAL 53 31.686 -26.815 23.310 53 GLY ATOM 3036 CA LYS 54 30.376 -27.323 19.788 54 LYS ATOM 3037 CA TYR 55 26.680 -26.740 19.232 55 CYS ATOM 3038 CA GLU 56 24.306 -26.901 16.311 56 GLU ATOM 3039 CA VAL 57 22.760 -23.463 16.046 57 VAL ATOM 3040 CA TYR 58 19.947 -21.982 14.017 58 HIS ATOM 3041 CA ILE 59 20.497 -18.541 12.493 59 PHE ATOM 3042 CA LEU 60 17.121 -16.930 13.040 60 ILE ATOM 3043 CA ASP 61 17.612 -14.181 10.469 61 ASP ATOM 3044 CA PHE 62 18.616 -16.690 7.821 62 PHE ATOM 3045 CA GLU 63 17.239 -20.144 8.557 63 GLY ATOM 3046 CA GLN 69 20.244 -22.396 8.085 64 ASN ATOM 3047 CA ARG 70 21.995 -24.291 10.888 65 ASN ATOM 3048 CA LEU 71 25.645 -24.995 11.584 66 ALA ATOM 3049 CA LYS 72 28.041 -26.334 14.168 67 VAL ATOM 3050 CA LEU 73 30.421 -23.940 15.912 68 THR ATOM 3051 CA LYS 77 32.238 -23.255 19.172 69 GLN ATOM 3052 CA PHE 78 32.187 -19.460 19.054 70 GLN ATOM 3053 CA MET 79 29.459 -17.872 21.170 71 PHE ATOM 3054 CA ARG 80 29.200 -14.263 22.294 72 ARG ATOM 3055 CA ASP 81 26.364 -12.511 24.127 73 GLN ATOM 3056 CA GLU 82 23.502 -10.792 22.345 74 LEU ATOM 3057 CA LYS 83 22.625 -7.338 23.711 75 PRO ATOM 3058 CA LYS 84 18.996 -7.238 24.900 76 GLU TER 38 20.630 4 4u48A3 ATOM 4001 CA ILE 4 145.973 97.424 -1.240 66 PRO ATOM 4002 CA GLU 5 144.351 100.758 -0.419 67 ALA ATOM 4003 CA GLY 6 144.816 101.904 3.173 68 ARG ATOM 4004 CA ILE 7 142.320 100.591 5.755 69 ASN ATOM 4005 CA VAL 8 140.385 98.535 3.179 70 THR ATOM 4006 CA PHE 9 140.427 94.739 2.917 71 ARG ATOM 4007 CA PRO 10 141.154 93.812 -0.713 72 GLU ATOM 4008 CA THR 11 140.893 90.498 -2.563 73 LYS ATOM 4009 CA ALA 12 144.108 89.718 -4.469 74 LEU ATOM 4010 CA ASN 13 145.652 86.949 -6.593 75 LEU ATOM 4011 CA ILE 14 149.081 85.345 -6.341 76 LEU ATOM 4012 CA ASP 15 150.029 84.343 -9.902 77 PRO ATOM 4013 CA ARG 16 152.127 81.199 -10.421 78 LEU ATOM 4014 CA GLY 17 152.395 81.080 -14.220 79 SER ATOM 4015 CA GLU 19 155.910 82.536 -14.424 80 ASP ATOM 4016 CA LYS 20 157.187 80.138 -11.747 81 ILE ATOM 4017 CA LEU 21 159.228 77.373 -13.395 82 LYS ATOM 4018 CA VAL 22 159.697 74.985 -10.470 83 PRO ATOM 4019 CA ASP 23 155.937 74.531 -10.001 84 LEU ATOM 4020 CA LEU 24 154.111 73.533 -13.208 85 GLN ATOM 4021 CA LYS 25 155.543 70.056 -12.618 86 GLN ATOM 4022 CA ARG 26 152.497 67.948 -11.707 87 ALA ATOM 4023 CA GLY 27 151.841 67.019 -8.084 88 GLY ATOM 4024 CA VAL 28 150.051 68.045 -4.890 89 VAL ATOM 4025 CA TYR 29 151.176 71.393 -3.474 90 TYR ATOM 4026 CA LEU 30 150.690 73.445 -0.310 91 VAL ATOM 4027 CA VAL 31 151.239 77.181 0.147 92 ALA ATOM 4028 CA ARG 32 152.033 78.580 3.597 93 VAL ATOM 4029 CA VAL 33 153.913 84.919 8.211 94 ASN ATOM 4030 CA HIS 34 144.234 83.034 10.218 95 SER ATOM 4031 CA LEU 35 144.160 80.591 7.288 96 ASN ATOM 4032 CA PRO 36 147.918 80.816 6.758 97 ALA ATOM 4033 CA GLY 38 147.831 77.612 4.691 98 ALA ATOM 4034 CA LYS 39 146.067 76.452 1.527 99 THR ATOM 4035 CA LYS 40 146.213 73.444 -0.812 100 LEU ATOM 4036 CA LYS 41 146.023 73.064 -4.589 101 PHE ATOM 4037 CA PHE 42 146.636 70.237 -7.059 102 THR ATOM 4038 CA GLY 43 148.319 70.036 -10.461 103 LEU TER 37 18.710 5 3rfzB1 ATOM 5001 CA ASP 23 -23.286 29.281 53.355 2 GLU ATOM 5002 CA LEU 24 -25.170 29.332 56.682 3 LEU ATOM 5003 CA LYS 25 -26.780 32.246 58.549 4 PRO ATOM 5004 CA ARG 26 -24.726 33.634 61.482 5 PRO ATOM 5005 CA GLY 27 -25.732 32.815 65.078 6 GLY ATOM 5006 CA VAL 28 -25.090 30.767 68.218 7 THR ATOM 5007 CA TYR 29 -24.809 26.988 67.853 8 TYR ATOM 5008 CA LEU 30 -24.729 24.234 70.494 9 ARG ATOM 5009 CA VAL 31 -21.810 22.263 69.156 10 VAL ATOM 5010 CA ARG 32 -19.198 19.565 69.841 11 ASP ATOM 5011 CA VAL 33 -15.802 21.162 69.248 12 ILE ATOM 5012 CA HIS 34 -13.270 18.866 67.590 13 TYR ATOM 5013 CA LEU 35 -9.633 19.673 66.891 14 LEU ATOM 5014 CA PRO 36 -7.784 17.425 64.424 15 ASN ATOM 5015 CA GLY 38 -10.372 14.619 64.791 16 ASN ATOM 5016 CA LYS 39 -10.023 14.750 68.608 17 GLY ATOM 5017 CA LYS 40 -12.860 15.932 70.878 18 TYR ATOM 5018 CA LYS 41 -12.215 19.058 72.979 19 MET ATOM 5019 CA PHE 42 -15.403 20.405 74.630 20 ALA ATOM 5020 CA GLY 43 -20.136 24.798 74.234 22 ARG ATOM 5021 CA VAL 44 -22.375 27.253 72.414 23 ASP ATOM 5022 CA MET 45 -20.138 28.883 69.804 24 VAL ATOM 5023 CA ASN 46 -20.799 32.267 68.199 25 THR ATOM 5024 CA VAL 47 -20.468 32.397 64.429 26 PHE ATOM 5025 CA GLY 48 -19.921 35.696 62.683 27 ASN ATOM 5026 CA PHE 49 -19.993 36.430 58.966 28 THR ATOM 5027 CA ARG 50 -16.442 36.024 57.698 29 GLY ATOM 5028 CA ARG 51 -14.099 35.263 54.827 30 ASP ATOM 5029 CA ASN 52 -16.451 28.742 52.633 32 GLU ATOM 5030 CA VAL 53 -19.501 28.479 54.925 33 GLN ATOM 5031 CA LYS 54 -19.749 32.296 55.081 34 GLY ATOM 5032 CA TYR 55 -19.336 32.066 58.860 35 ILE ATOM 5033 CA GLU 56 -16.347 31.824 61.223 36 VAL ATOM 5034 CA VAL 57 -16.353 30.623 64.827 37 PRO ATOM 5035 CA TYR 58 -15.342 33.071 67.526 38 CYS ATOM 5036 CA ILE 59 -12.684 31.495 69.717 39 LEU ATOM 5037 CA LEU 60 -10.201 33.217 72.058 40 THR TER