-REMARK 1IGD 4P ff -747.433 ENERGY 9.87218E+13
+REMARK 1IGD 4P ff -747.433 ENERGY -7.47434E+02
ATOM 1 CA MET 1 3.800 0.000 0.000 0.000
-ATOM 2 CB MET 1 5.154 0.833 1.436 0.000
+ATOM 2 CB MET 1 5.154 0.832 1.436 0.000
ATOM 3 CA THR 2 3.904 -3.799 0.000 0.000
-ATOM 4 CB THR 2 3.446 -4.228 1.244 0.000
-ATOM 5 CA PRO 3 2.435 -5.988 -2.736 0.000
-ATOM 6 CB PRO 3 2.457 -7.286 -2.385 0.000
-ATOM 7 CA ALA 4 -1.338 -6.443 -2.734 0.000
-ATOM 8 CB ALA 4 -1.568 -5.848 -3.116 0.000
-ATOM 9 CA VAL 5 -3.401 -9.622 -3.008 0.000
-ATOM 10 CB VAL 5 -4.030 -10.156 -1.864 0.000
-ATOM 11 CA THR 6 -5.768 -10.665 -5.792 0.000
-ATOM 12 CB THR 6 -5.797 -10.296 -7.134 0.000
-ATOM 13 CA THR 7 -8.560 -13.242 -5.775 0.000
-ATOM 14 CB THR 7 -9.260 -12.831 -4.642 0.000
-ATOM 15 CA TYR 8 -9.309 -15.839 -8.446 0.000
-ATOM 16 CB TYR 8 -8.586 -16.780 -10.628 0.000
-ATOM 17 CA LYS 9 -12.579 -17.714 -8.929 0.000
-ATOM 18 CB LYS 9 -14.913 -16.878 -9.486 0.000
-ATOM 19 CA LEU 10 -11.021 -20.295 -11.243 0.000
-ATOM 20 CB LEU 10 -12.131 -20.840 -12.736 0.000
-ATOM 21 CA VAL 11 -7.281 -20.820 -10.822 0.000
-ATOM 22 CB VAL 11 -6.689 -20.804 -9.543 0.000
-ATOM 23 CA ILE 12 -4.954 -21.848 -13.645 0.000
-ATOM 24 CB ILE 12 -4.798 -20.468 -14.753 0.000
-ATOM 25 CA ASN 13 -2.916 -25.055 -13.708 0.000
-ATOM 26 CB ASN 13 -2.904 -26.640 -13.140 0.000
-ATOM 27 CA GLY 14 -0.391 -24.339 -16.457 0.000
-ATOM 28 CA LYS 15 -3.036 -24.244 -19.184 0.000
-ATOM 29 CB LYS 15 -4.852 -22.469 -19.282 0.000
-ATOM 30 CA THR 16 -5.661 -25.937 -17.021 0.000
-ATOM 31 CB THR 16 -5.259 -27.165 -16.501 0.000
-ATOM 32 CA LEU 17 -8.029 -24.183 -14.622 0.000
-ATOM 33 CB LEU 17 -8.936 -22.920 -15.780 0.000
-ATOM 34 CA LYS 18 -8.235 -24.930 -10.902 0.000
-ATOM 35 CB LYS 18 -5.930 -25.353 -9.921 0.000
-ATOM 36 CA GLY 19 -10.796 -23.871 -8.301 0.000
-ATOM 37 CA GLU 20 -10.783 -20.642 -6.299 0.000
-ATOM 38 CB GLU 20 -10.876 -18.458 -5.746 0.000
-ATOM 39 CA THR 21 -7.631 -18.521 -6.395 0.000
-ATOM 40 CB THR 21 -6.719 -18.508 -7.447 0.000
-ATOM 41 CA THR 22 -6.119 -15.755 -4.274 0.000
-ATOM 42 CB THR 22 -5.485 -15.887 -3.040 0.000
-ATOM 43 CA THR 23 -3.396 -13.863 -6.130 0.000
-ATOM 44 CB THR 23 -4.283 -14.102 -7.177 0.000
-ATOM 45 CA LYS 24 -0.698 -11.435 -5.004 0.000
-ATOM 46 CB LYS 24 0.965 -12.172 -3.230 0.000
-ATOM 47 CA ALA 25 -0.267 -8.163 -6.888 0.000
-ATOM 48 CB ALA 25 -0.097 -7.515 -6.567 0.000
-ATOM 49 CA VAL 26 2.793 -9.531 -8.678 0.000
-ATOM 50 CB VAL 26 4.138 -9.572 -8.254 0.000
-ATOM 51 CA ASP 27 0.943 -12.738 -9.534 0.000
-ATOM 52 CB ASP 27 1.751 -13.913 -8.592 0.000
-ATOM 53 CA ALA 28 -2.151 -10.704 -10.388 0.000
-ATOM 54 CB ALA 28 -2.469 -10.228 -9.914 0.000
-ATOM 55 CA GLU 29 -0.071 -8.479 -12.661 0.000
-ATOM 56 CB GLU 29 0.230 -6.342 -13.310 0.000
-ATOM 57 CA THR 30 2.829 -8.688 -10.215 0.000
-ATOM 58 CB THR 30 2.892 -7.600 -9.347 0.000
-ATOM 59 CA ALA 31 2.182 -12.383 -9.610 0.000
-ATOM 60 CB ALA 31 1.598 -12.663 -9.246 0.000
-ATOM 61 CA GLU 32 1.619 -12.925 -13.329 0.000
-ATOM 62 CB GLU 32 0.103 -13.468 -14.906 0.000
-ATOM 63 CA LYS 33 4.644 -10.758 -14.099 0.000
-ATOM 64 CB LYS 33 5.645 -8.436 -13.844 0.000
-ATOM 65 CA ALA 34 6.606 -12.516 -11.361 0.000
-ATOM 66 CB ALA 34 6.469 -12.456 -10.634 0.000
-ATOM 67 CA PHE 35 5.190 -15.865 -12.467 0.000
-ATOM 68 CB PHE 35 3.365 -16.444 -11.193 0.000
-ATOM 69 CA LYS 36 5.788 -15.003 -16.119 0.000
-ATOM 70 CB LYS 36 4.684 -16.911 -17.383 0.000
-ATOM 71 CA GLN 37 9.221 -13.611 -15.271 0.000
-ATOM 72 CB GLN 37 9.357 -11.751 -14.031 0.000
-ATOM 73 CA TYR 38 10.234 -16.924 -13.710 0.000
-ATOM 74 CB TYR 38 8.756 -17.508 -11.801 0.000
-ATOM 75 CA ALA 39 8.985 -18.842 -16.744 0.000
-ATOM 76 CB ALA 39 8.559 -18.555 -17.280 0.000
-ATOM 77 CA ASN 40 12.483 -18.941 -18.226 0.000
-ATOM 78 CB ASN 40 12.005 -17.906 -19.465 0.000
-ATOM 79 CA ASP 41 14.116 -20.175 -15.025 0.000
-ATOM 80 CB ASP 41 14.678 -20.081 -13.413 0.000
-ATOM 81 CA ASN 42 14.893 -23.532 -16.626 0.000
-ATOM 82 CB ASN 42 15.532 -25.083 -16.471 0.000
-ATOM 83 CA GLY 43 11.810 -23.212 -18.824 0.000
-ATOM 84 CA VAL 44 9.497 -22.753 -15.844 0.000
-ATOM 85 CB VAL 44 8.100 -22.938 -15.847 0.000
-ATOM 86 CA ASP 45 10.528 -22.087 -12.248 0.000
-ATOM 87 CB ASP 45 10.904 -21.749 -10.615 0.000
-ATOM 88 CA GLY 46 8.458 -25.006 -10.969 0.000
-ATOM 89 CA VAL 47 4.881 -25.346 -12.207 0.000
-ATOM 90 CB VAL 47 4.402 -25.462 -10.886 0.000
-ATOM 91 CA TRP 48 2.609 -22.362 -12.820 0.000
-ATOM 92 CB TRP 48 4.322 -20.564 -13.605 0.000
-ATOM 93 CA THR 49 -1.019 -22.425 -13.947 0.000
-ATOM 94 CB THR 49 -1.675 -23.651 -14.033 0.000
-ATOM 95 CA TYR 50 -3.204 -19.422 -14.749 0.000
-ATOM 96 CB TYR 50 -1.050 -18.185 -14.722 0.000
-ATOM 97 CA ASP 51 -6.956 -19.172 -15.300 0.000
-ATOM 98 CB ASP 51 -8.365 -20.070 -15.658 0.000
-ATOM 99 CA ASP 52 -8.492 -16.064 -16.857 0.000
-ATOM 100 CB ASP 52 -7.577 -15.466 -18.171 0.000
-ATOM 101 CA ALA 53 -12.080 -17.134 -16.209 0.000
-ATOM 102 CB ALA 53 -12.302 -17.808 -15.988 0.000
-ATOM 103 CA THR 54 -12.272 -14.788 -13.225 0.000
-ATOM 104 CB THR 54 -12.787 -14.954 -11.942 0.000
-ATOM 105 CA LYS 55 -8.496 -14.368 -13.258 0.000
-ATOM 106 CB LYS 55 -7.994 -11.882 -13.408 0.000
-ATOM 107 CA THR 56 -7.350 -17.680 -11.789 0.000
-ATOM 108 CB THR 56 -8.006 -18.833 -11.362 0.000
-ATOM 109 CA PHE 57 -3.792 -18.755 -11.001 0.000
-ATOM 110 CB PHE 57 -2.713 -16.725 -11.044 0.000
-ATOM 111 CA THR 58 -2.173 -22.114 -10.272 0.000
-ATOM 112 CB THR 58 -2.498 -23.469 -10.280 0.000
-ATOM 113 CA VAL 59 1.434 -22.471 -9.129 0.000
-ATOM 114 CB VAL 59 2.482 -21.529 -9.102 0.000
-ATOM 115 CA THR 60 2.628 -26.060 -8.767 0.000
-ATOM 116 CB THR 60 1.857 -26.099 -9.926 0.000
-ATOM 117 CA GLU 61 5.565 -27.344 -6.726 0.000
-ATOM 118 CB GLU 61 4.086 -27.459 -5.029 0.000
+ATOM 4 CB THR 2 3.437 -4.232 1.239 0.000
+ATOM 5 CA PRO 3 2.454 -5.992 -2.743 0.000
+ATOM 6 CB PRO 3 2.581 -7.299 -2.454 0.000
+ATOM 7 CA ALA 4 -1.271 -6.724 -2.571 0.000
+ATOM 8 CB ALA 4 -1.567 -6.135 -2.916 0.000
+ATOM 9 CA VAL 5 -3.100 -10.043 -2.856 0.000
+ATOM 10 CB VAL 5 -3.591 -10.678 -1.697 0.000
+ATOM 11 CA THR 6 -5.611 -11.128 -5.494 0.000
+ATOM 12 CB THR 6 -5.778 -10.694 -6.807 0.000
+ATOM 13 CA THR 7 -8.196 -13.912 -5.396 0.000
+ATOM 14 CB THR 7 -8.824 -13.614 -4.189 0.000
+ATOM 15 CA TYR 8 -8.978 -16.421 -8.141 0.000
+ATOM 16 CB TYR 8 -8.375 -17.191 -10.425 0.000
+ATOM 17 CA LYS 9 -12.131 -18.517 -8.464 0.000
+ATOM 18 CB LYS 9 -14.559 -17.837 -8.781 0.000
+ATOM 19 CA LEU 10 -10.591 -20.849 -11.039 0.000
+ATOM 20 CB LEU 10 -11.782 -21.401 -12.466 0.000
+ATOM 21 CA VAL 11 -6.801 -21.103 -10.954 0.000
+ATOM 22 CB VAL 11 -6.105 -21.106 -9.727 0.000
+ATOM 23 CA ILE 12 -4.654 -21.804 -14.010 0.000
+ATOM 24 CB ILE 12 -4.693 -20.362 -15.045 0.000
+ATOM 25 CA ASN 13 -2.401 -24.836 -14.420 0.000
+ATOM 26 CB ASN 13 -2.225 -26.442 -13.946 0.000
+ATOM 27 CA GLY 14 -0.178 -23.790 -17.319 0.000
+ATOM 28 CA LYS 15 -3.045 -23.761 -19.813 0.000
+ATOM 29 CB LYS 15 -4.987 -22.129 -19.662 0.000
+ATOM 30 CA THR 16 -5.346 -25.759 -17.544 0.000
+ATOM 31 CB THR 16 -4.813 -26.978 -17.129 0.000
+ATOM 32 CA LEU 17 -7.623 -24.317 -14.865 0.000
+ATOM 33 CB LEU 17 -8.715 -23.072 -15.872 0.000
+ATOM 34 CA LYS 18 -7.456 -25.266 -11.189 0.000
+ATOM 35 CB LYS 18 -5.050 -25.557 -10.423 0.000
+ATOM 36 CA GLY 19 -9.856 -24.541 -8.333 0.000
+ATOM 37 CA GLU 20 -9.908 -21.425 -6.158 0.000
+ATOM 38 CB GLU 20 -10.112 -19.286 -5.477 0.000
+ATOM 39 CA THR 21 -6.939 -19.065 -6.390 0.000
+ATOM 40 CB THR 21 -6.124 -18.928 -7.511 0.000
+ATOM 41 CA THR 22 -5.458 -16.300 -4.245 0.000
+ATOM 42 CB THR 22 -4.713 -16.445 -3.076 0.000
+ATOM 43 CA THR 23 -3.048 -14.110 -6.204 0.000
+ATOM 44 CB THR 23 -4.002 -14.364 -7.188 0.000
+ATOM 45 CA LYS 24 -0.450 -11.541 -5.163 0.000
+ATOM 46 CB LYS 24 1.398 -12.221 -3.557 0.000
+ATOM 47 CA ALA 25 -0.408 -8.154 -6.887 0.000
+ATOM 48 CB ALA 25 -0.256 -7.513 -6.545 0.000
+ATOM 49 CA VAL 26 2.574 -9.200 -8.997 0.000
+ATOM 50 CB VAL 26 3.949 -9.162 -8.690 0.000
+ATOM 51 CA ASP 27 0.885 -12.489 -9.877 0.000
+ATOM 52 CB ASP 27 1.854 -13.644 -9.072 0.000
+ATOM 53 CA ALA 28 -2.405 -10.650 -10.363 0.000
+ATOM 54 CB ALA 28 -2.713 -10.222 -9.839 0.000
+ATOM 55 CA GLU 29 -0.686 -8.167 -12.670 0.000
+ATOM 56 CB GLU 29 1.020 -6.699 -12.791 0.000
+ATOM 57 CA THR 30 0.971 -11.037 -14.529 0.000
+ATOM 58 CB THR 30 2.268 -11.294 -14.093 0.000
+ATOM 59 CA ALA 31 -2.215 -13.103 -14.383 0.000
+ATOM 60 CB ALA 31 -2.501 -13.407 -13.768 0.000
+ATOM 61 CA GLU 32 -4.283 -10.035 -15.250 0.000
+ATOM 62 CB GLU 32 -5.834 -8.585 -14.494 0.000
+ATOM 63 CA LYS 33 -1.747 -9.083 -17.915 0.000
+ATOM 64 CB LYS 33 0.682 -8.468 -18.335 0.000
+ATOM 65 CA ALA 34 -1.617 -12.695 -19.088 0.000
+ATOM 66 CB ALA 34 -1.329 -13.259 -18.698 0.000
+ATOM 67 CA PHE 35 -5.394 -12.958 -18.764 0.000
+ATOM 68 CB PHE 35 -5.981 -13.892 -16.747 0.000
+ATOM 69 CA LYS 36 -5.853 -9.572 -20.425 0.000
+ATOM 70 CB LYS 36 -8.341 -9.112 -20.188 0.000
+ATOM 71 CA GLN 37 -3.246 -10.456 -23.045 0.000
+ATOM 72 CB GLN 37 -1.112 -10.694 -22.408 0.000
+ATOM 73 CA TYR 38 -5.213 -13.554 -24.030 0.000
+ATOM 74 CB TYR 38 -5.451 -15.115 -22.112 0.000
+ATOM 75 CA ALA 39 -8.431 -11.548 -24.272 0.000
+ATOM 76 CB ALA 39 -8.520 -10.858 -24.014 0.000
+ATOM 77 CA ASN 40 -7.992 -11.137 -28.024 0.000
+ATOM 78 CB ASN 40 -7.716 -9.488 -27.828 0.000
+ATOM 79 CA ASP 41 -7.328 -14.828 -28.641 0.000
+ATOM 80 CB ASP 41 -6.455 -16.295 -28.585 0.000
+ATOM 81 CA ASN 42 -10.618 -15.184 -30.510 0.000
+ATOM 82 CB ASN 42 -11.707 -16.179 -31.322 0.000
+ATOM 83 CA GLY 43 -12.145 -12.437 -28.374 0.000
+ATOM 84 CA VAL 44 -11.327 -14.241 -25.131 0.000
+ATOM 85 CB VAL 44 -11.926 -14.000 -23.878 0.000
+ATOM 86 CA ASP 45 -9.048 -17.254 -24.717 0.000
+ATOM 87 CB ASP 45 -8.011 -18.584 -24.439 0.000
+ATOM 88 CA GLY 46 -11.742 -19.214 -22.891 0.000
+ATOM 89 CA VAL 47 -13.630 -17.483 -20.084 0.000
+ATOM 90 CB VAL 47 -13.374 -18.557 -19.207 0.000
+ATOM 91 CA TRP 48 -11.982 -15.055 -17.670 0.000
+ATOM 92 CB TRP 48 -10.185 -13.949 -19.197 0.000
+ATOM 93 CA THR 49 -13.604 -13.278 -14.728 0.000
+ATOM 94 CB THR 49 -14.907 -13.618 -14.372 0.000
+ATOM 95 CA TYR 50 -11.984 -10.699 -12.456 0.000
+ATOM 96 CB TYR 50 -10.226 -10.650 -14.209 0.000
+ATOM 97 CA ASP 51 -13.150 -9.242 -9.145 0.000
+ATOM 98 CB ASP 51 -14.508 -9.024 -8.131 0.000
+ATOM 99 CA ASP 52 -11.525 -6.119 -7.714 0.000
+ATOM 100 CB ASP 52 -11.224 -4.929 -8.904 0.000
+ATOM 101 CA ALA 53 -13.326 -6.336 -4.375 0.000
+ATOM 102 CB ALA 53 -13.896 -6.784 -4.213 0.000
+ATOM 103 CA THR 54 -10.202 -7.763 -2.749 0.000
+ATOM 104 CB THR 54 -10.015 -8.820 -1.861 0.000
+ATOM 105 CA LYS 55 -8.672 -8.417 -6.165 0.000
+ATOM 106 CB LYS 55 -6.411 -7.259 -6.238 0.000
+ATOM 107 CA THR 56 -10.629 -11.469 -7.302 0.000
+ATOM 108 CB THR 56 -11.672 -12.214 -6.756 0.000
+ATOM 109 CA PHE 57 -10.150 -13.464 -10.500 0.000
+ATOM 110 CB PHE 57 -8.065 -12.740 -11.145 0.000
+ATOM 111 CA THR 58 -12.284 -16.014 -12.339 0.000
+ATOM 112 CB THR 58 -13.566 -16.557 -12.285 0.000
+ATOM 113 CA VAL 59 -11.029 -17.993 -15.331 0.000
+ATOM 114 CB VAL 59 -9.872 -17.824 -16.119 0.000
+ATOM 115 CA THR 60 -13.636 -20.236 -16.947 0.000
+ATOM 116 CB THR 60 -14.355 -19.082 -16.645 0.000
+ATOM 117 CA GLU 61 -13.051 -23.257 -19.177 0.000
+ATOM 118 CB GLU 61 -12.962 -24.420 -17.249 0.000
TER
CONECT 1 3 2
CONECT 3 5 4
projects / unres.git / blobdiff