4 77 (N_temp, Lch) 75 79.480 1 2ko1A ATOM 1001 CA ALA 1 2.860 -15.185 12.169 4 PHE ATOM 1002 CA ARG 2 0.678 -12.790 10.167 5 LEU ATOM 1003 CA ARG 3 1.118 -9.440 11.943 6 ALA ATOM 1004 CA ILE 4 -1.364 -6.592 11.376 7 GLY ATOM 1005 CA LEU 5 -0.697 -2.857 11.892 8 ILE ATOM 1006 CA SER 6 -3.075 0.162 11.905 9 ARG ATOM 1007 CA VAL 7 -1.722 3.630 10.997 10 ILE ATOM 1008 CA LEU 8 -3.854 6.806 11.335 11 VAL ATOM 1009 CA LEU 9 -2.323 10.108 10.217 12 GLY ATOM 1010 CA GLU 10 -3.396 13.486 8.814 13 GLU ATOM 1011 CA ASN 11 -4.262 13.470 5.076 14 ASP ATOM 1012 CA GLU 12 -1.369 15.634 3.857 15 LYS ATOM 1013 CA SER 13 0.200 16.433 0.532 16 ASN ATOM 1014 CA GLY 14 2.506 13.390 0.459 17 GLY ATOM 1015 CA ALA 15 1.813 11.481 3.716 18 MET ATOM 1016 CA LEU 16 -0.267 8.692 2.112 19 THR ATOM 1017 CA SER 17 2.570 8.171 -0.402 20 ASN ATOM 1018 CA ARG 18 5.460 8.227 2.089 21 GLN ATOM 1019 CA VAL 19 3.674 5.987 4.632 22 ILE ATOM 1020 CA ILE 20 3.203 2.956 2.355 23 THR ATOM 1021 CA GLY 21 6.537 3.804 0.710 24 GLY ATOM 1022 CA LEU 22 8.184 3.244 4.117 25 VAL ATOM 1023 CA PHE 23 6.250 -0.037 4.505 26 ILE ATOM 1024 CA SER 24 7.770 -1.439 1.268 27 SER ATOM 1025 CA GLN 25 11.220 -0.835 2.846 28 LYS ATOM 1026 CA ARG 26 10.606 -3.515 5.548 29 PHE ATOM 1027 CA GLY 27 12.297 -6.961 5.712 30 ASP ATOM 1028 CA TYR 28 8.863 -8.606 5.230 31 THR ATOM 1029 CA ASN 29 6.547 -9.314 2.279 32 ASN ATOM 1030 CA ILE 30 3.246 -7.406 2.019 33 ILE ATOM 1031 CA GLU 31 0.385 -9.932 2.215 34 ARG ATOM 1032 CA SER 32 -2.318 -7.237 2.384 35 THR ATOM 1033 CA LEU 33 -2.271 -3.409 2.537 36 ILE ATOM 1034 CA THR 34 -5.387 -1.209 2.915 37 VAL ATOM 1035 CA VAL 35 -5.036 2.600 2.911 38 LEU ATOM 1036 CA ALA 36 -8.083 4.906 2.803 39 ASN ATOM 1037 CA PRO 37 -8.799 8.546 3.744 40 ALA ATOM 1038 CA THR 38 -12.008 9.473 5.571 41 LYS ATOM 1039 CA PRO 41 -12.367 13.034 6.844 42 ASP ATOM 1040 CA THR 42 -9.049 14.879 6.521 43 GLY ATOM 1041 CA LEU 43 -7.439 11.748 8.034 44 ILE ATOM 1042 CA SER 44 -6.223 8.460 6.521 45 PHE ATOM 1043 CA ARG 45 -5.935 4.947 7.984 46 THR ATOM 1044 CA MET 46 -3.478 2.446 6.448 47 CYS ATOM 1045 CA THR 47 -3.677 -1.219 7.583 48 ASN ATOM 1046 CA ILE 48 -0.526 -3.316 7.027 49 LEU ATOM 1047 CA GLN 49 -0.705 -7.133 6.893 50 MET ATOM 1048 CA THR 50 2.682 -8.924 6.816 51 ILE ATOM 1049 CA VAL 51 4.550 -11.931 8.308 52 PHE ATOM 1050 CA GLY 52 7.105 -11.821 11.168 53 VAL ATOM 1051 CA ASP 53 9.085 -12.759 16.399 55 ASN ATOM 1052 CA GLU 54 6.770 -10.256 18.169 56 THR ATOM 1053 CA LYS 55 9.874 -8.089 18.715 57 ASP ATOM 1054 CA VAL 56 10.285 -7.882 14.934 58 LYS ATOM 1055 CA LEU 57 6.682 -6.564 14.860 59 LEU ATOM 1056 CA GLU 58 7.084 -3.952 17.651 60 THR ATOM 1057 CA GLN 59 10.150 -2.724 15.736 61 THR ATOM 1058 CA ILE 60 7.982 -1.975 12.663 62 LEU ATOM 1059 CA GLU 61 5.807 0.322 14.805 63 MET ATOM 1060 CA LYS 62 8.846 2.384 15.875 64 ASP ATOM 1061 CA GLN 63 9.803 2.656 12.174 65 LYS ATOM 1062 CA LEU 64 6.307 3.968 11.282 66 LEU ATOM 1063 CA HIS 65 6.105 6.197 14.398 67 ARG ATOM 1064 CA LYS 66 9.018 8.248 12.975 68 LYS ATOM 1065 CA LEU 67 6.487 10.129 10.814 69 VAL ATOM 1066 CA VAL 68 5.298 13.464 12.269 70 GLN ATOM 1067 CA ASP 69 2.049 13.260 10.266 71 GLY ATOM 1068 CA VAL 70 0.985 10.052 12.073 72 VAL ATOM 1069 CA LEU 71 -0.549 10.116 15.573 73 PHE ATOM 1070 CA ARG 72 -1.719 6.470 15.947 74 THR ATOM 1071 CA VAL 73 0.359 3.331 15.293 75 VAL ATOM 1072 CA SER 74 -1.328 0.160 16.622 76 GLU ATOM 1073 CA GLU 75 -1.328 -3.651 16.283 77 ARG ATOM 1074 CA LEU 76 -4.326 -5.443 14.707 78 LEU ATOM 1075 CA GLY 77 -4.969 -8.538 16.870 79 SER TER 74 74.770 2 1y7pB1 ATOM 2001 CA ALA 1 52.211 29.964 -11.949 3 MET ATOM 2002 CA ARG 2 49.436 30.851 -9.506 4 LEU ATOM 2003 CA ARG 3 50.419 30.350 -5.875 5 ARG ATOM 2004 CA ILE 4 48.290 30.587 -2.765 6 GLY ATOM 2005 CA LEU 5 49.579 32.239 0.393 7 LEU ATOM 2006 CA SER 6 47.873 32.043 3.798 8 ARG ATOM 2007 CA VAL 7 48.902 34.457 6.549 9 ILE ATOM 2008 CA LEU 8 47.776 35.052 10.116 10 ILE ATOM 2009 CA LEU 9 48.969 38.351 11.468 11 ALA ATOM 2010 CA GLU 10 48.323 40.817 14.237 12 GLU ATOM 2011 CA ASN 11 45.722 43.169 12.787 13 ASN ATOM 2012 CA GLU 12 48.081 46.172 12.864 14 LYS ATOM 2013 CA SER 13 47.131 49.328 10.944 15 ILE ATOM 2014 CA GLY 14 48.199 49.007 7.306 16 GLY ATOM 2015 CA ALA 15 49.171 45.315 7.219 17 VAL ATOM 2016 CA LEU 16 47.312 44.649 3.959 18 LEU ATOM 2017 CA SER 17 48.845 47.834 2.565 19 ARG ATOM 2018 CA ARG 18 52.372 46.692 3.463 20 ASP ATOM 2019 CA VAL 19 51.848 43.213 2.083 21 LEU ATOM 2020 CA ILE 20 50.453 44.304 -1.286 22 THR ATOM 2021 CA GLY 21 53.336 46.792 -1.624 23 THR ATOM 2022 CA LEU 22 55.822 43.971 -1.255 24 ILE ATOM 2023 CA PHE 23 53.891 41.700 -3.616 25 ILE ATOM 2024 CA SER 24 53.834 44.463 -6.239 26 ALA ATOM 2025 CA GLN 25 57.549 45.247 -5.852 27 GLU ATOM 2026 CA ARG 26 58.543 41.613 -6.422 28 GLU ATOM 2027 CA GLY 27 56.659 41.347 -9.721 29 GLY ATOM 2028 CA TYR 28 53.688 39.553 -8.224 30 GLY ATOM 2029 CA ASN 29 50.215 39.790 -9.691 31 ASN ATOM 2030 CA ILE 30 47.314 39.437 -7.285 32 ILE ATOM 2031 CA GLU 31 44.463 37.501 -8.863 33 THR ATOM 2032 CA SER 32 42.693 37.034 -5.529 34 PHE ATOM 2033 CA LEU 33 43.027 38.658 -2.109 35 ALA ATOM 2034 CA THR 34 40.997 38.309 1.070 36 GLN ATOM 2035 CA VAL 35 41.380 39.308 4.697 37 THR ATOM 2036 CA ALA 36 38.995 38.926 7.587 38 PHE ATOM 2037 CA PRO 37 39.246 39.070 11.369 39 LEU ATOM 2038 CA THR 38 39.365 35.810 13.289 40 ILE ATOM 2039 CA ASP 39 43.564 30.462 19.328 44 GLU ATOM 2040 CA ASP 40 44.040 33.385 16.971 45 HIS ATOM 2041 CA PRO 41 40.925 35.315 17.895 46 GLU ATOM 2042 CA THR 42 41.625 39.000 17.418 47 GLY ATOM 2043 CA LEU 43 44.225 38.433 14.707 48 LYS ATOM 2044 CA SER 44 43.712 38.700 10.948 49 ALA ATOM 2045 CA ARG 45 43.514 35.935 8.362 50 LEU ATOM 2046 CA MET 46 45.178 37.241 5.207 51 ILE ATOM 2047 CA THR 47 45.045 35.251 1.966 52 TYR ATOM 2048 CA ILE 48 46.465 35.855 -1.511 53 PHE ATOM 2049 CA GLN 49 46.543 34.043 -4.811 54 GLU ATOM 2050 CA THR 50 49.526 35.525 -6.631 55 ILE ATOM 2051 CA VAL 51 50.186 34.991 -10.335 56 GLU ATOM 2052 CA GLY 52 53.852 35.262 -11.264 57 GLY ATOM 2053 CA LYS 55 56.442 37.244 -9.339 58 GLY ATOM 2054 CA VAL 56 59.423 36.327 -7.186 59 ASP ATOM 2055 CA LEU 57 57.390 34.229 -4.732 60 PHE ATOM 2056 CA GLU 58 60.361 33.176 -2.600 61 GLU ATOM 2057 CA GLN 59 61.457 36.791 -2.164 62 LYS ATOM 2058 CA ILE 60 57.927 37.781 -1.155 63 ILE ATOM 2059 CA GLU 61 57.914 35.050 1.545 64 LEU ATOM 2060 CA LYS 62 61.299 36.158 2.778 65 GLU ATOM 2061 CA GLN 63 60.410 39.847 2.997 66 ARG ATOM 2062 CA LEU 64 57.050 39.235 4.630 67 VAL ATOM 2063 CA HIS 65 58.671 37.043 7.286 68 LYS ATOM 2064 CA LYS 66 60.731 40.037 8.449 69 THR ATOM 2065 CA LEU 67 57.600 41.611 9.944 70 PHE ATOM 2066 CA VAL 68 57.056 40.774 13.604 71 ASP ATOM 2067 CA ASP 69 53.255 40.975 13.250 72 TYR ATOM 2068 CA VAL 70 53.298 37.856 11.027 73 ILE ATOM 2069 CA LEU 71 52.174 34.938 13.196 74 ILE ATOM 2070 CA ARG 72 51.764 32.215 10.564 75 GLU ATOM 2071 CA VAL 73 52.607 32.022 6.873 76 ILE ATOM 2072 CA SER 74 52.106 29.024 4.599 77 GLU ATOM 2073 CA GLU 75 51.615 28.330 0.908 78 GLU ATOM 2074 CA LEU 76 48.189 26.845 0.101 79 GLU TER 75 81.500 3 6dzsA2 ATOM 3001 CA ALA 1 -20.781 -2.233 -9.835 7 THR ATOM 3002 CA ARG 2 -23.017 -2.491 -12.922 8 ARG ATOM 3003 CA ARG 3 -25.373 -5.279 -14.012 9 TYR ATOM 3004 CA ILE 4 -26.135 -6.697 -17.432 10 TYR ATOM 3005 CA LEU 5 -29.478 -8.512 -17.210 11 VAL ATOM 3006 CA SER 6 -31.032 -10.615 -19.981 12 SER ATOM 3007 CA VAL 7 -34.669 -11.669 -19.594 13 MET ATOM 3008 CA LEU 8 -37.507 -13.233 -21.551 14 ARG ATOM 3009 CA LEU 9 -40.665 -11.175 -21.056 15 VAL ATOM 3010 CA GLU 10 -44.198 -10.904 -22.369 16 ALA ATOM 3011 CA ASN 11 -44.461 -9.035 -25.669 17 ASP ATOM 3012 CA GLU 12 -46.669 -6.253 -24.308 18 ARG ATOM 3013 CA SER 13 -46.014 -2.485 -24.432 19 PRO ATOM 3014 CA GLY 14 -46.085 -2.024 -20.641 20 GLY ATOM 3015 CA ALA 15 -43.476 -4.557 -19.538 21 VAL ATOM 3016 CA LEU 16 -40.544 -2.175 -19.976 22 LEU ATOM 3017 CA SER 17 -42.224 0.300 -17.627 23 ALA ATOM 3018 CA ARG 18 -42.648 -2.460 -15.041 24 ALA ATOM 3019 CA VAL 19 -38.988 -3.497 -15.027 25 VAL ATOM 3020 CA ILE 20 -37.926 0.167 -15.093 26 ALA ATOM 3021 CA GLY 21 -39.938 0.855 -11.939 27 THR ATOM 3022 CA LEU 22 -38.329 -2.158 -10.239 28 GLU ATOM 3023 CA PHE 23 -34.889 -0.675 -10.922 29 PHE ATOM 3024 CA SER 24 -35.877 2.858 -9.933 30 GLY ATOM 3025 CA GLN 25 -37.665 1.855 -6.729 31 ASN ATOM 3026 CA ARG 26 -34.229 0.785 -5.441 32 ARG ATOM 3027 CA GLY 27 -32.490 3.940 -6.746 33 SER ATOM 3028 CA TYR 28 -30.859 2.117 -9.670 34 VAL ATOM 3029 CA ASN 29 -30.607 4.075 -12.918 35 SER ATOM 3030 CA ILE 30 -30.728 2.345 -16.305 36 ILE ATOM 3031 CA GLU 31 -28.054 3.097 -18.912 37 ALA ATOM 3032 CA SER 32 -29.151 0.948 -21.847 38 GLU ATOM 3033 CA LEU 33 -32.053 -1.264 -22.904 39 VAL ATOM 3034 CA THR 34 -32.602 -3.557 -25.900 40 ARG ATOM 3035 CA VAL 35 -35.974 -5.208 -26.577 41 GLN ATOM 3036 CA ALA 36 -37.149 -7.387 -29.469 42 GLU ATOM 3037 CA PRO 37 -39.439 -10.319 -30.160 43 GLY ATOM 3038 CA THR 38 -38.807 -14.032 -30.614 44 ILE ATOM 3039 CA ASP 39 -40.208 -16.540 -33.108 45 ASP ATOM 3040 CA PRO 41 -45.475 -14.004 -31.953 46 PRO ATOM 3041 CA THR 42 -44.729 -15.447 -28.511 47 ARG ATOM 3042 CA LEU 43 -42.485 -13.276 -26.333 48 GLY ATOM 3043 CA SER 44 -39.688 -10.709 -26.155 49 ALA ATOM 3044 CA ARG 45 -35.980 -10.592 -25.329 50 ARG ATOM 3045 CA MET 46 -35.261 -7.756 -22.884 51 LEU ATOM 3046 CA THR 47 -31.651 -6.789 -22.126 52 VAL ATOM 3047 CA ILE 48 -30.873 -4.131 -19.518 53 VAL ATOM 3048 CA GLN 49 -27.572 -2.501 -18.539 54 VAL ATOM 3049 CA THR 50 -27.547 -0.457 -15.349 55 THR ATOM 3050 CA VAL 51 -25.416 2.435 -14.221 56 HIS ATOM 3051 CA GLY 52 -23.314 1.966 -11.101 57 LYS ATOM 3052 CA ASP 53 -24.283 -1.373 -4.940 59 THR ATOM 3053 CA GLU 54 -24.330 -5.074 -5.757 60 ASP ATOM 3054 CA LYS 55 -26.918 -5.358 -2.985 61 ALA ATOM 3055 CA VAL 56 -29.428 -3.079 -4.721 62 ALA ATOM 3056 CA LEU 57 -28.881 -4.801 -8.070 63 LEU ATOM 3057 CA GLU 58 -29.132 -8.277 -6.534 64 SER ATOM 3058 CA GLN 59 -32.452 -7.336 -4.920 65 GLU ATOM 3059 CA ILE 60 -33.657 -5.849 -8.205 66 THR ATOM 3060 CA GLU 61 -32.931 -9.140 -9.978 67 VAL ATOM 3061 CA LYS 62 -34.832 -11.152 -7.376 68 LYS ATOM 3062 CA GLN 63 -37.734 -8.744 -7.870 69 ALA ATOM 3063 CA LEU 64 -37.665 -9.072 -11.665 70 LEU ATOM 3064 CA HIS 65 -37.775 -12.863 -11.347 71 ALA ATOM 3065 CA LYS 66 -41.006 -12.646 -9.320 72 SER ATOM 3066 CA LEU 67 -42.782 -10.420 -11.862 73 LEU ATOM 3067 CA VAL 68 -45.541 -11.937 -13.973 74 ASP ATOM 3068 CA ASP 69 -44.440 -10.256 -17.213 75 VAL ATOM 3069 CA VAL 70 -40.944 -11.715 -16.714 76 VAL ATOM 3070 CA LEU 71 -40.895 -15.330 -17.874 77 GLN ATOM 3071 CA ARG 72 -37.311 -15.894 -16.703 78 SER ATOM 3072 CA VAL 73 -34.040 -14.126 -15.957 79 VAL ATOM 3073 CA SER 74 -31.685 -15.945 -18.298 80 ASP ATOM 3074 CA GLU 75 -28.427 -14.087 -17.615 81 SER ATOM 3075 CA LEU 76 -26.934 -11.742 -15.032 82 VAL TER 73 77.570 4 2qmxA2 ATOM 4001 CA ALA 1 16.119 14.072 29.773 111 GLN ATOM 4002 CA ARG 2 14.810 14.773 26.164 112 LYS ATOM 4003 CA ARG 3 16.092 13.865 22.678 113 THR ATOM 4004 CA ILE 4 15.240 16.072 19.635 114 SER ATOM 4005 CA LEU 5 15.588 14.766 16.083 115 ILE ATOM 4006 CA SER 6 14.594 15.810 12.612 116 VAL ATOM 4007 CA VAL 7 13.626 13.249 9.988 117 PHE ATOM 4008 CA LEU 8 12.355 13.264 6.442 118 ALA ATOM 4009 CA LEU 9 9.807 10.859 4.994 119 LEU ATOM 4010 CA GLU 10 8.915 10.286 1.397 120 PRO ATOM 4011 CA ASN 11 5.228 11.395 1.512 121 ASN ATOM 4012 CA GLU 12 3.520 8.007 1.294 122 GLU ATOM 4013 CA SER 13 0.104 7.390 2.719 123 GLN ATOM 4014 CA GLY 14 0.990 5.880 6.120 124 GLY ATOM 4015 CA ALA 15 4.621 6.942 6.402 125 SER ATOM 4016 CA LEU 16 4.214 8.828 9.672 126 LEU ATOM 4017 CA SER 17 2.183 6.183 11.498 127 PHE ATOM 4018 CA ARG 18 4.957 3.979 10.429 128 ARG ATOM 4019 CA VAL 19 7.619 6.318 11.857 129 ALA ATOM 4020 CA ILE 20 5.763 6.853 15.113 130 LEU ATOM 4021 CA GLY 21 5.497 3.060 15.503 131 ALA ATOM 4022 CA LEU 22 9.112 3.158 15.914 132 THR ATOM 4023 CA PHE 23 8.794 4.946 19.299 133 PHE ATOM 4024 CA SER 24 5.320 4.076 20.415 134 ALA ATOM 4025 CA GLN 25 5.729 0.263 20.168 135 LEU ATOM 4026 CA ARG 26 9.036 0.733 22.006 136 ARG ATOM 4027 CA GLY 27 7.412 2.301 25.140 137 GLY ATOM 4028 CA TYR 28 8.843 5.705 24.353 138 ILE ATOM 4029 CA ASN 29 6.788 8.880 25.138 139 ASP ATOM 4030 CA ILE 30 6.774 11.875 22.713 140 LEU ATOM 4031 CA GLU 31 6.614 15.497 23.789 141 THR ATOM 4032 CA SER 32 6.563 16.908 20.293 142 LYS ATOM 4033 CA LEU 33 5.849 16.327 16.738 143 ILE ATOM 4034 CA THR 34 5.573 18.592 13.742 144 GLU ATOM 4035 CA VAL 35 5.584 18.284 9.988 145 SER ATOM 4036 CA ALA 36 6.274 20.981 7.459 146 ARG ATOM 4037 CA PRO 37 6.968 20.381 3.734 147 PRO ATOM 4038 CA THR 38 10.430 19.870 2.189 148 SER ATOM 4039 CA ASP 39 10.938 22.525 -0.569 149 ARG ATOM 4040 CA ASP 40 13.380 17.510 -2.101 151 LYS ATOM 4041 CA PRO 41 10.452 16.361 -4.279 152 ALA ATOM 4042 CA THR 42 7.586 14.699 -2.289 153 PHE ATOM 4043 CA LEU 43 8.986 14.849 1.289 154 GLU ATOM 4044 CA SER 44 7.983 16.299 4.580 155 TYR ATOM 4045 CA ARG 45 10.233 17.138 7.325 156 LEU ATOM 4046 CA MET 46 9.296 16.172 10.863 157 PHE ATOM 4047 CA THR 47 10.413 17.460 14.133 158 TYR ATOM 4048 CA ILE 48 9.986 15.118 17.042 159 ALA ATOM 4049 CA GLN 49 11.031 15.248 20.655 160 ASP ATOM 4050 CA THR 50 10.625 12.407 23.007 161 PHE ATOM 4051 CA VAL 51 11.665 11.362 26.583 162 ILE ATOM 4052 CA GLY 52 14.935 9.368 26.378 163 GLY ATOM 4053 CA ASP 53 22.571 6.149 23.883 166 GLU ATOM 4054 CA GLU 54 19.719 4.204 25.568 167 ASP ATOM 4055 CA LYS 55 19.477 0.910 23.749 168 GLN ATOM 4056 CA VAL 56 15.713 1.110 23.344 169 ASN ATOM 4057 CA LEU 57 16.232 4.610 21.950 170 VAL ATOM 4058 CA GLU 58 19.036 3.494 19.720 171 HIS ATOM 4059 CA GLN 59 16.832 0.644 18.469 172 ASN ATOM 4060 CA ILE 60 14.062 3.167 17.641 173 ALA ATOM 4061 CA GLU 61 16.434 5.382 15.736 174 LEU ATOM 4062 CA LYS 62 17.883 2.527 13.707 175 GLU ATOM 4063 CA GLN 63 14.353 1.324 13.076 176 ASN ATOM 4064 CA LEU 64 13.496 4.840 11.601 177 LEU ATOM 4065 CA HIS 65 16.638 4.927 9.341 178 ARG ATOM 4066 CA LYS 66 15.166 1.912 7.577 179 GLU ATOM 4067 CA LEU 67 12.680 4.139 5.675 180 PHE ATOM 4068 CA VAL 68 13.364 7.763 6.761 181 ALA ATOM 4069 CA VAL 70 15.149 9.600 3.923 182 THR ATOM 4070 CA LEU 71 17.484 11.323 10.308 183 VAL ATOM 4071 CA ARG 72 19.390 13.896 12.332 184 LYS ATOM 4072 CA VAL 73 19.723 13.854 16.100 185 VAL ATOM 4073 CA SER 74 19.953 17.481 17.310 186 LEU TER