4 127 (N_temp, Lch) 118 19.510 1 4b3fX1 ATOM 1001 CA ALA 1 33.492 33.104 -3.618 1 SER ATOM 1002 CA SER 2 29.733 32.644 -3.929 2 ALA ATOM 1003 CA SER 3 28.620 32.471 -0.297 3 ALA ATOM 1004 CA GLU 4 31.072 35.357 0.003 4 VAL ATOM 1005 CA ARG 5 29.583 37.407 -2.811 5 GLU ATOM 1006 CA GLU 6 26.075 37.248 -1.360 6 SER ATOM 1007 CA LEU 7 26.892 37.670 2.317 7 PHE ATOM 1008 CA TYR 8 28.854 40.749 1.224 8 VAL ATOM 1009 CA GLU 9 26.178 42.394 -0.949 9 THR ATOM 1010 CA ALA 10 23.710 41.607 1.832 10 LYS ATOM 1011 CA TRP 11 25.950 43.369 4.354 11 GLN ATOM 1012 CA VAL 12 26.691 46.396 2.180 12 LEU ATOM 1013 CA GLU 13 22.918 46.919 2.034 13 ASP ATOM 1014 CA LEU 14 22.329 46.423 5.740 14 LEU ATOM 1015 CA LEU 15 24.933 49.141 6.241 15 LEU ATOM 1016 CA SER 16 23.539 52.067 4.230 16 GLU ATOM 1017 CA TRP 17 20.285 51.184 5.921 17 LEU ATOM 1018 CA MET 18 22.058 51.653 9.244 18 GLU ATOM 1019 CA ARG 19 24.049 54.667 8.078 19 ARG ATOM 1020 CA GLU 20 20.987 56.363 6.636 20 ASP ATOM 1021 CA TYR 21 19.059 55.353 9.750 21 ALA ATOM 1022 CA ALA 22 21.661 56.704 12.145 22 GLU ATOM 1023 CA GLN 23 22.050 59.892 10.106 23 VAL ATOM 1024 CA ALA 24 18.370 60.825 10.070 24 GLU ATOM 1025 CA LYS 25 22.157 63.742 27.601 41 ARG ATOM 1026 CA GLY 26 25.957 63.868 27.212 42 GLY ATOM 1027 CA VAL 27 25.932 64.143 23.440 43 VAL ATOM 1028 CA ARG 28 27.170 67.701 23.072 44 CYS ATOM 1029 CA PHE 29 29.667 69.767 25.021 45 LEU ATOM 1030 CA GLU 30 29.481 73.504 25.549 46 LEU ATOM 1031 CA LYS 31 30.627 76.000 26.055 47 LYS ATOM 1032 CA GLU 32 50.275 69.252 15.824 55 THR ATOM 1033 CA ALA 33 50.475 65.642 16.985 56 GLY ATOM 1034 CA ASP 34 50.662 62.140 15.507 57 LEU ATOM 1035 CA PHE 35 50.359 62.350 11.727 58 TYR ATOM 1036 CA PRO 36 49.914 65.883 10.468 59 GLY ATOM 1037 CA ASP 37 46.807 65.986 12.617 60 ARG ATOM 1038 CA PHE 38 46.294 69.101 14.731 61 LEU ATOM 1039 CA ILE 39 45.468 68.160 18.315 62 LEU ATOM 1040 CA TYR 40 43.223 70.658 20.061 63 VAL ATOM 1041 CA ARG 41 42.322 70.297 23.714 64 THR ATOM 1042 CA MET 42 39.089 71.719 25.053 65 PHE ATOM 1043 CA GLU 43 38.157 72.513 28.651 66 GLU ATOM 1044 CA ARG 44 35.203 74.305 30.291 67 PRO ATOM 1045 CA PRO 45 35.739 78.082 30.088 68 ARG ATOM 1046 CA TYR 46 37.566 79.504 33.113 69 ARG ATOM 1047 CA ASP 47 35.082 69.542 35.294 72 ALA ATOM 1048 CA LEU 48 32.998 68.562 32.238 73 LEU ATOM 1049 CA PRO 49 29.234 67.851 32.375 74 PRO ATOM 1050 CA THR 50 28.836 64.037 32.214 75 SER ATOM 1051 CA THR 51 28.783 62.561 28.705 76 ASN ATOM 1052 CA SER 56 29.077 59.636 26.338 77 SER ATOM 1053 CA LEU 57 32.019 61.025 24.448 78 PHE ATOM 1054 CA GLY 60 34.676 58.347 23.903 79 THR ATOM 1055 CA LEU 61 38.039 58.135 22.142 80 SER ATOM 1056 CA GLY 62 37.366 57.483 18.477 81 GLY ATOM 1057 CA GLU 63 34.048 59.347 18.302 82 ASP ATOM 1058 CA PRO 64 33.423 61.687 15.387 83 ILE ATOM 1059 CA PHE 65 32.882 65.225 16.559 84 VAL ATOM 1060 CA LEU 66 31.606 68.495 15.041 85 GLY ATOM 1061 CA LEU 67 33.056 71.888 16.013 86 LEU ATOM 1062 CA ALA 68 31.035 75.111 16.251 87 TYR ATOM 1063 CA ASP 69 31.562 78.654 17.582 88 ASP ATOM 1064 CA VAL 70 29.044 80.411 19.844 89 ALA ATOM 1065 CA SER 71 29.603 83.839 18.279 90 ALA ATOM 1066 CA PRO 72 29.747 82.182 14.846 91 ASN ATOM 1067 CA ARG 73 26.754 81.677 12.534 92 GLU ATOM 1068 CA HIS 74 28.004 77.086 10.871 94 SER ATOM 1069 CA ALA 75 30.013 73.895 11.306 95 GLN ATOM 1070 CA LYS 76 33.638 74.971 11.585 96 LEU ATOM 1071 CA LEU 77 35.181 71.513 11.362 97 ALA ATOM 1072 CA LYS 78 35.058 67.790 12.024 98 THR ATOM 1073 CA ARG 79 37.289 65.645 14.193 99 GLY ATOM 1074 CA ILE 80 38.137 62.606 16.295 100 ILE ATOM 1075 CA GLY 81 38.344 62.222 20.062 101 LEU ATOM 1076 CA LEU 82 41.732 61.033 21.252 102 THR ATOM 1077 CA ARG 83 41.321 61.451 24.954 103 ARG ATOM 1078 CA LEU 84 38.373 62.247 27.124 104 VAL ATOM 1079 CA PRO 85 38.976 63.091 30.773 105 THR ATOM 1080 CA ARG 86 36.470 64.176 33.412 106 GLN ATOM 1081 CA ALA 87 37.546 67.770 32.725 107 LYS ATOM 1082 CA HIS 88 39.149 67.939 29.290 108 SER ATOM 1083 CA ILE 89 38.526 66.708 25.747 109 VAL ATOM 1084 CA HIS 90 40.984 66.261 22.890 110 THR ATOM 1085 CA LEU 91 40.135 66.309 19.198 111 VAL ATOM 1086 CA HIS 92 42.393 65.576 16.211 112 ALA ATOM 1087 CA ALA 93 41.812 67.482 12.968 113 PHE ATOM 1088 CA HIS 94 42.474 67.632 9.192 114 ASP ATOM 1089 CA TYR 95 41.240 79.932 13.136 115 SER ATOM 1090 CA GLU 96 40.964 78.810 16.766 116 LEU ATOM 1091 CA PRO 97 41.175 81.434 19.520 117 ASP ATOM 1092 CA GLY 98 38.953 82.904 24.057 119 GLU ATOM 1093 CA LYS 99 35.828 80.851 23.426 120 ASN ATOM 1094 CA GLY 100 33.219 80.058 22.717 121 SER ATOM 1095 CA LEU 101 33.168 76.589 21.236 122 TYR ATOM 1096 CA VAL 102 28.615 67.846 18.732 125 LEU ATOM 1097 CA THR 103 28.618 64.053 18.484 126 LYS ATOM 1098 CA GLY 104 28.000 63.055 14.887 127 LEU ATOM 1099 CA LYS 105 27.643 59.831 12.908 128 ALA ATOM 1100 CA ILE 106 30.961 57.997 12.569 129 ASN ATOM 1101 CA PRO 107 31.512 58.099 8.823 130 ASP ATOM 1102 CA LEU 108 34.989 56.649 9.204 131 VAL ATOM 1103 CA THR 109 33.625 53.423 10.685 132 THR ATOM 1104 CA LYS 110 31.086 53.237 7.881 133 TYR ATOM 1105 CA GLU 111 33.822 53.827 5.315 134 ARG ATOM 1106 CA ARG 112 36.100 51.159 6.861 135 ARG ATOM 1107 CA PHE 113 33.378 48.519 7.310 136 LEU ATOM 1108 CA PHE 114 32.326 49.094 3.704 137 LYS ATOM 1109 CA ALA 115 35.913 48.382 2.644 138 LYS ATOM 1110 CA LEU 116 36.882 45.338 4.678 139 ALA ATOM 1111 CA ALA 117 33.699 44.061 3.048 140 LEU ATOM 1112 CA ASP 118 34.779 44.735 -0.527 141 ILE ATOM 1113 CA ARG 119 38.302 43.583 0.397 142 ALA ATOM 1114 CA ALA 120 36.871 40.308 1.656 143 LEU ATOM 1115 CA ARG 121 34.733 39.552 -1.395 144 LYS ATOM 1116 CA GLU 122 37.756 40.479 -3.521 145 LYS ATOM 1117 CA ALA 123 40.079 38.237 -1.515 146 TYR ATOM 1118 CA LEU 124 42.629 36.152 -3.380 147 HIS TER 30 39.860 2 2kvoA ATOM 2001 CA LEU 7 1.281 -16.996 4.178 86 SER ATOM 2002 CA TYR 8 0.923 -16.871 7.985 87 GLN ATOM 2003 CA GLU 9 4.252 -15.178 8.982 88 PRO ATOM 2004 CA ALA 10 3.106 -12.415 6.614 89 GLU ATOM 2005 CA TRP 11 0.575 -11.236 9.229 90 TRP ATOM 2006 CA VAL 12 3.423 -10.667 11.713 91 ASP ATOM 2007 CA GLU 13 5.061 -8.109 9.394 92 ARG ATOM 2008 CA LEU 14 1.682 -6.567 8.479 93 PHE ATOM 2009 CA LEU 15 0.658 -6.041 12.126 94 MET ATOM 2010 CA SER 16 4.116 -4.687 13.021 95 ARG ATOM 2011 CA TRP 17 4.177 -2.383 9.968 96 PHE ATOM 2012 CA MET 18 0.702 -1.013 10.746 97 MET ATOM 2013 CA ARG 19 1.507 -0.715 14.465 98 GLU ATOM 2014 CA GLU 20 4.795 1.164 13.926 99 ARG ATOM 2015 CA TYR 21 3.527 3.041 10.849 100 TYR ATOM 2016 CA ALA 22 0.313 4.141 12.601 101 GLY ATOM 2017 CA GLN 23 2.334 5.341 15.614 102 ALA ATOM 2018 CA ALA 24 4.512 7.564 13.397 103 GLU ATOM 2019 CA LYS 25 1.507 8.853 11.395 104 ASN ATOM 2020 CA GLY 26 -2.002 9.157 12.892 105 GLY ATOM 2021 CA VAL 27 -3.672 8.766 9.458 106 LEU ATOM 2022 CA ARG 28 -3.470 12.604 9.408 107 GLY ATOM 2023 CA PHE 29 0.202 13.379 10.167 108 PHE ATOM 2024 CA GLU 30 2.758 13.226 7.331 109 SER ATOM 2025 CA LYS 31 5.671 10.792 7.688 110 LYS ATOM 2026 CA GLU 32 8.107 13.550 6.655 111 SER ATOM 2027 CA ALA 33 9.390 16.083 9.222 112 GLU ATOM 2028 CA ASP 34 8.515 13.671 12.051 113 LEU ATOM 2029 CA PHE 35 10.777 10.972 10.563 114 GLU ATOM 2030 CA PRO 36 14.405 12.049 10.079 115 HIS TER 68 24.970 3 3r6fA ATOM 3001 CA GLU 9 39.163 10.712 25.264 53 GLU ATOM 3002 CA ALA 10 36.588 12.369 27.505 54 GLU ATOM 3003 CA TRP 11 33.725 11.315 25.140 55 LEU ATOM 3004 CA VAL 12 34.790 7.746 24.510 56 SER ATOM 3005 CA GLU 13 31.955 5.259 23.990 57 GLY ATOM 3006 CA LEU 14 28.788 7.401 24.148 58 VAL ATOM 3007 CA LEU 15 27.004 5.807 21.224 59 LEU ATOM 3008 CA SER 16 28.139 2.278 22.276 60 ASP ATOM 3009 CA TRP 17 26.750 2.920 25.788 61 THR ATOM 3010 CA MET 18 23.500 4.226 24.390 62 ILE ATOM 3011 CA ARG 19 23.205 1.099 22.172 63 ARG ATOM 3012 CA GLU 20 24.027 -1.103 25.139 64 HIS ATOM 3013 CA TYR 21 21.330 0.465 27.375 65 LEU ATOM 3014 CA ALA 22 18.505 0.655 24.806 66 VAL ATOM 3015 CA GLN 23 19.107 -3.083 24.234 67 GLN ATOM 3016 CA ALA 24 19.066 -3.860 27.992 68 LYS ATOM 3017 CA TYR 46 15.942 -1.709 28.366 69 PHE ATOM 3018 CA ASP 47 14.195 -3.207 25.309 70 GLY ATOM 3019 CA LEU 77 13.689 0.200 23.623 71 PHE ATOM 3020 CA LYS 78 13.132 -0.001 19.861 72 GLU ATOM 3021 CA ARG 79 11.759 3.455 19.239 73 ARG ATOM 3022 CA ILE 80 13.528 6.420 20.809 74 TYR ATOM 3023 CA GLY 81 15.324 9.688 20.137 75 ASN ATOM 3024 CA LEU 82 18.843 10.719 21.012 76 ILE ATOM 3025 CA ARG 83 19.166 14.418 21.832 77 LEU ATOM 3026 CA LEU 84 22.098 16.584 22.878 78 GLN ATOM 3027 CA PRO 85 17.424 24.347 24.973 83 HIS ATOM 3028 CA ARG 86 20.209 23.685 27.522 84 GLN ATOM 3029 CA ALA 87 19.393 23.854 31.241 85 GLU ATOM 3030 CA HIS 88 22.585 22.238 32.599 86 VAL ATOM 3031 CA ILE 89 26.090 23.211 31.431 87 PHE ATOM 3032 CA HIS 90 27.682 19.759 31.507 88 HIS ATOM 3033 CA LEU 91 27.252 17.717 28.307 89 VAL ATOM 3034 CA HIS 92 24.554 15.030 28.590 90 HIS ATOM 3035 CA ALA 93 22.851 12.861 25.993 91 PHE ATOM 3036 CA HIS 94 19.092 12.363 26.381 92 HIS ATOM 3037 CA TYR 95 17.718 8.989 25.279 93 VAL ATOM 3038 CA GLU 96 2.866 7.068 22.502 98 SER ATOM 3039 CA PRO 97 1.828 10.215 20.582 99 ALA ATOM 3040 CA GLY 98 1.528 12.221 23.839 100 ASP ATOM 3041 CA LYS 99 4.505 10.506 25.455 101 GLU ATOM 3042 CA GLY 100 7.625 10.961 23.292 102 ARG ATOM 3043 CA LEU 101 10.079 13.630 22.161 103 LEU ATOM 3044 CA VAL 102 8.081 21.225 15.744 106 ASN ATOM 3045 CA THR 103 9.810 20.471 12.449 107 TRP ATOM 3046 CA GLY 104 9.431 23.676 10.432 108 LYS ATOM 3047 CA LYS 105 11.724 23.045 7.444 109 ALA ATOM 3048 CA ILE 106 12.627 25.739 4.875 110 LYS ATOM 3049 CA PRO 107 13.084 24.962 1.176 111 SER ATOM 3050 CA LEU 108 15.905 26.222 -0.979 112 VAL ATOM 3051 CA THR 109 16.645 27.012 -4.556 113 SER ATOM 3052 CA LYS 110 18.907 24.434 -6.103 114 ASP ATOM 3053 CA GLU 111 21.388 27.358 -6.504 115 LYS ATOM 3054 CA ARG 112 21.014 28.412 -2.865 116 GLU ATOM 3055 CA PHE 113 21.795 24.728 -2.102 117 TYR ATOM 3056 CA PHE 114 24.757 24.637 -4.525 118 SER ATOM 3057 CA ALA 115 26.030 27.785 -2.768 119 GLU ATOM 3058 CA LEU 116 25.457 26.237 0.667 120 MET ATOM 3059 CA ALA 117 27.401 23.087 -0.363 121 VAL ATOM 3060 CA ASP 118 30.275 25.158 -1.832 122 GLU ATOM 3061 CA ARG 119 30.481 27.308 1.309 123 GLU ATOM 3062 CA ALA 120 30.617 24.127 3.443 124 ALA ATOM 3063 CA ARG 121 33.470 22.760 1.279 125 ARG ATOM 3064 CA GLU 122 35.323 26.076 1.731 126 LEU ATOM 3065 CA ALA 123 34.908 25.829 5.526 127 ARG ATOM 3066 CA LEU 124 36.051 22.133 5.579 128 VAL ATOM 3067 CA ALA 125 39.083 22.992 3.427 129 SER ATOM 3068 CA PHE 126 40.210 25.850 5.715 130 SER TER 52 25.160 4 3azoA4 ATOM 4001 CA ARG 41 -48.284 -16.593 -20.273 27 GLY ATOM 4002 CA MET 42 -45.862 -19.093 -21.819 28 GLU ATOM 4003 CA GLU 43 -43.562 -20.900 -19.370 29 LEU ATOM 4004 CA ARG 44 -40.487 -22.902 -20.414 30 VAL ATOM 4005 CA PRO 45 -38.628 -24.978 -17.823 31 ASP ATOM 4006 CA TYR 46 -34.940 -25.759 -17.586 32 ALA ATOM 4007 CA ASP 47 -34.019 -29.262 -18.748 33 ALA ATOM 4008 CA LEU 48 -30.877 -31.067 -17.599 34 GLY ATOM 4009 CA PRO 49 -30.774 -33.686 -14.809 35 PRO ATOM 4010 CA THR 50 -31.945 -31.364 -12.017 36 TRP ATOM 4011 CA THR 51 -35.396 -32.242 -10.664 37 THR ATOM 4012 CA ILE 52 -35.568 -29.919 -7.655 38 GLU ATOM 4013 CA MET 53 -34.587 -26.262 -7.382 39 TRP ATOM 4014 CA THR 54 -34.189 -24.498 -4.035 40 ALA ATOM 4015 CA ALA 55 -32.979 -18.943 -4.033 42 THR ATOM 4016 CA SER 56 -32.609 -17.123 -7.342 43 LEU ATOM 4017 CA LEU 57 -30.841 -14.240 -9.050 44 THR ATOM 4018 CA SER 58 -30.566 -12.858 -12.572 45 VAL ATOM 4019 CA LEU 61 -27.911 -11.221 -14.743 46 SER ATOM 4020 CA GLY 62 -28.366 -10.267 -18.370 47 GLY ATOM 4021 CA GLU 63 -30.441 -12.975 -20.041 48 THR ATOM 4022 CA PRO 64 -29.428 -15.534 -17.412 49 ARG ATOM 4023 CA PHE 65 -31.240 -16.825 -14.339 50 ALA ATOM 4024 CA LEU 66 -29.132 -18.557 -11.690 51 VAL ATOM 4025 CA LEU 67 -30.465 -20.948 -9.081 52 GLY ATOM 4026 CA ALA 68 -29.495 -23.939 -6.953 53 VAL ATOM 4027 CA ASP 69 -30.691 -27.395 -7.989 54 ALA ATOM 4028 CA VAL 70 -30.135 -31.112 -7.534 55 ALA ATOM 4029 CA SER 71 -31.266 -34.517 -8.780 56 SER ATOM 4030 CA PRO 72 -31.535 -38.025 -7.272 57 PRO ATOM 4031 CA ARG 73 -28.018 -38.608 -8.623 58 ARG ATOM 4032 CA HIS 74 -26.331 -35.276 -7.920 59 THR ATOM 4033 CA ALA 75 -26.041 -32.916 -4.941 60 ALA ATOM 4034 CA LYS 76 -27.162 -29.276 -5.196 61 TYR ATOM 4035 CA LEU 77 -25.142 -27.256 -7.700 62 GLU ATOM 4036 CA ARG 79 -25.303 -23.632 -8.797 63 VAL ATOM 4037 CA ILE 80 -27.124 -23.780 -12.122 64 VAL ATOM 4038 CA GLY 81 -27.580 -21.163 -14.829 65 GLU ATOM 4039 CA LEU 82 -30.524 -21.011 -17.250 66 LEU ATOM 4040 CA ARG 83 -30.159 -18.718 -20.278 67 ASP ATOM 4041 CA LEU 84 -33.358 -17.296 -21.767 68 THR ATOM 4042 CA PRO 85 -31.759 -16.817 -25.180 69 VAL ATOM 4043 CA ARG 86 -31.103 -20.518 -25.739 70 THR ATOM 4044 CA ALA 87 -33.074 -22.217 -22.983 71 GLY ATOM 4045 CA ILE 89 -29.804 -23.921 -22.054 72 ARG ATOM 4046 CA HIS 90 -29.136 -24.838 -18.421 73 ALA ATOM 4047 CA LEU 91 -25.597 -25.484 -17.192 74 ARG ATOM 4048 CA HIS 92 -23.682 -25.916 -13.948 75 THR ATOM 4049 CA ALA 93 -21.608 -22.830 -13.105 76 ILE ATOM 4050 CA HIS 94 -20.735 -23.508 -9.481 77 GLY ATOM 4051 CA TYR 95 -20.267 -26.207 -6.849 78 ALA ATOM 4052 CA GLU 96 -20.060 -28.810 -9.608 79 ARG TER