EXPDTA T0345TS168_1-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called T0345TS168_1-scwrl ATOM 1 CA MET 1 1.418 -24.248 10.910 1.00 0.00 ATOM 2 CA ILE 2 -1.240 -22.404 8.933 1.00 0.00 ATOM 3 CA ALA 3 -3.888 -19.952 7.619 1.00 0.00 ATOM 4 CA LYS 4 -5.326 -16.492 8.351 1.00 0.00 ATOM 5 CA SER 5 -5.263 -14.925 4.889 1.00 0.00 ATOM 6 CA PHE 6 -5.482 -11.356 3.735 1.00 0.00 ATOM 7 CA TYR 7 -9.030 -12.282 2.876 1.00 0.00 ATOM 8 CA ASP 8 -11.377 -10.151 4.983 1.00 0.00 ATOM 9 CA LEU 9 -11.090 -6.368 5.268 1.00 0.00 ATOM 10 CA SER 10 -13.043 -4.508 2.654 1.00 0.00 ATOM 11 CA ALA 11 -11.760 -0.962 1.898 1.00 0.00 ATOM 12 CA ILE 12 -14.595 1.601 1.640 1.00 0.00 ATOM 13 CA ASN 13 -14.108 3.406 -1.722 1.00 0.00 ATOM 14 CA LEU 14 -13.307 6.609 -3.554 1.00 0.00 ATOM 15 CA ASP 15 -17.062 7.363 -3.072 1.00 0.00 ATOM 16 CA GLY 16 -18.994 4.638 -1.186 1.00 0.00 ATOM 17 CA GLU 17 -19.609 1.153 0.048 1.00 0.00 ATOM 18 CA LYS 18 -17.436 -1.938 -0.673 1.00 0.00 ATOM 19 CA VAL 19 -14.183 -3.312 -2.083 1.00 0.00 ATOM 20 CA ASP 20 -14.325 -7.090 -1.655 1.00 0.00 ATOM 21 CA PHE 21 -11.883 -9.750 -0.658 1.00 0.00 ATOM 22 CA ASN 22 -14.062 -12.303 -2.501 1.00 0.00 ATOM 23 CA THR 23 -13.149 -10.696 -5.856 1.00 0.00 ATOM 24 CA PHE 24 -9.433 -10.839 -4.942 1.00 0.00 ATOM 25 CA ARG 25 -8.600 -14.031 -6.799 1.00 0.00 ATOM 26 CA GLY 26 -6.410 -14.409 -9.919 1.00 0.00 ATOM 27 CA ARG 27 -4.870 -11.079 -8.851 1.00 0.00 ATOM 28 CA ALA 28 -1.183 -11.075 -7.703 1.00 0.00 ATOM 29 CA VAL 29 -1.130 -7.588 -6.164 1.00 0.00 ATOM 30 CA LEU 30 0.658 -4.576 -4.674 1.00 0.00 ATOM 31 CA ILE 31 -1.155 -3.125 -1.687 1.00 0.00 ATOM 32 CA GLU 32 -0.778 0.197 0.158 1.00 0.00 ATOM 33 CA ASN 33 -2.406 2.950 2.189 1.00 0.00 ATOM 34 CA VAL 34 -4.209 6.173 1.207 1.00 0.00 ATOM 35 CA ALA 35 -2.964 9.598 -0.039 1.00 0.00 ATOM 36 CA SER 36 -1.211 11.976 -2.491 1.00 0.00 ATOM 37 CA LEU 37 1.532 14.527 -1.774 1.00 0.00 ATOM 38 CA CYS 38 4.455 13.041 0.230 1.00 0.00 ATOM 39 CA GLY 39 7.775 14.428 -1.005 1.00 0.00 ATOM 40 CA THR 40 8.756 10.847 -1.864 1.00 0.00 ATOM 41 CA THR 41 5.787 10.644 -4.187 1.00 0.00 ATOM 42 CA THR 42 4.325 9.941 -7.583 1.00 0.00 ATOM 43 CA ARG 43 7.342 8.369 -9.342 1.00 0.00 ATOM 44 CA ASP 44 6.901 5.166 -7.289 1.00 0.00 ATOM 45 CA PHE 45 3.185 5.057 -8.209 1.00 0.00 ATOM 46 CA THR 46 4.064 5.504 -11.910 1.00 0.00 ATOM 47 CA GLN 47 6.622 2.664 -11.671 1.00 0.00 ATOM 48 CA LEU 48 4.003 0.411 -10.020 1.00 0.00 ATOM 49 CA ASN 49 1.502 1.240 -12.799 1.00 0.00 ATOM 50 CA GLU 50 4.138 0.412 -15.451 1.00 0.00 ATOM 51 CA LEU 51 4.871 -2.923 -13.718 1.00 0.00 ATOM 52 CA GLN 52 1.128 -3.730 -13.634 1.00 0.00 ATOM 53 CA CYS 53 0.842 -2.908 -17.363 1.00 0.00 ATOM 54 CA ARG 54 3.832 -5.180 -18.118 1.00 0.00 ATOM 55 CA PHE 55 2.227 -8.006 -16.093 1.00 0.00 ATOM 56 CA PRO 56 -1.057 -7.547 -18.008 1.00 0.00 ATOM 57 CA ARG 57 -2.164 -11.151 -17.625 1.00 0.00 ATOM 58 CA ARG 58 -2.853 -10.260 -14.026 1.00 0.00 ATOM 59 CA LEU 59 -1.764 -7.552 -11.524 1.00 0.00 ATOM 60 CA VAL 60 -4.889 -5.817 -10.125 1.00 0.00 ATOM 61 CA VAL 61 -3.232 -2.887 -8.352 1.00 0.00 ATOM 62 CA LEU 62 -4.778 -1.974 -4.967 1.00 0.00 ATOM 63 CA GLY 63 -4.565 1.275 -2.987 1.00 0.00 ATOM 64 CA PHE 64 -2.127 4.158 -3.005 1.00 0.00 ATOM 65 CA PRO 65 0.470 5.922 -0.770 1.00 0.00 ATOM 66 CA CYS 66 0.771 6.808 2.911 1.00 0.00 ATOM 67 CA ASN 67 -1.117 8.960 5.421 1.00 0.00 ATOM 68 CA GLN 68 1.149 8.857 8.538 1.00 0.00 ATOM 69 CA PHE 69 4.514 9.804 7.019 1.00 0.00 ATOM 70 CA GLY 70 3.844 13.142 8.675 1.00 0.00 ATOM 71 CA HIS 71 0.378 14.419 7.829 1.00 0.00 ATOM 72 CA GLN 72 0.677 13.570 4.145 1.00 0.00 ATOM 73 CA GLU 73 -2.676 13.947 2.437 1.00 0.00 ATOM 74 CA ASN 74 -5.578 16.029 3.773 1.00 0.00 ATOM 75 CA CYS 75 -8.468 17.140 1.611 1.00 0.00 ATOM 76 CA GLN 76 -10.437 13.833 1.451 1.00 0.00 ATOM 77 CA ASN 77 -11.714 11.923 -1.564 1.00 0.00 ATOM 78 CA GLU 78 -12.706 13.783 -4.761 1.00 0.00 ATOM 79 CA GLU 79 -10.659 16.825 -3.657 1.00 0.00 ATOM 80 CA ILE 80 -7.642 14.572 -2.959 1.00 0.00 ATOM 81 CA LEU 81 -8.002 12.975 -6.421 1.00 0.00 ATOM 82 CA ASN 82 -8.158 16.445 -8.033 1.00 0.00 ATOM 83 CA SER 83 -5.008 17.499 -6.126 1.00 0.00 ATOM 84 CA LEU 84 -3.211 14.325 -7.293 1.00 0.00 ATOM 85 CA LYS 85 -4.250 15.036 -10.910 1.00 0.00 ATOM 86 CA TYR 86 -2.951 18.626 -10.603 1.00 0.00 ATOM 87 CA VAL 87 0.319 18.489 -8.590 1.00 0.00 ATOM 88 CA ARG 88 1.957 15.011 -8.643 1.00 0.00 ATOM 89 CA PRO 89 3.371 13.657 -11.866 1.00 0.00 ATOM 90 CA GLY 90 2.638 17.206 -13.112 1.00 0.00 ATOM 91 CA GLY 91 0.084 17.508 -15.869 1.00 0.00 ATOM 92 CA GLY 92 -2.587 14.836 -16.123 1.00 0.00 ATOM 93 CA TYR 93 -0.792 12.016 -14.272 1.00 0.00 ATOM 94 CA GLN 94 -3.097 9.239 -12.972 1.00 0.00 ATOM 95 CA PRO 95 -2.682 6.086 -10.840 1.00 0.00 ATOM 96 CA THR 96 -3.778 3.541 -13.451 1.00 0.00 ATOM 97 CA PHE 97 -4.996 1.259 -10.641 1.00 0.00 ATOM 98 CA THR 98 -8.274 1.988 -8.734 1.00 0.00 ATOM 99 CA LEU 99 -8.649 3.522 -5.256 1.00 0.00 ATOM 100 CA VAL 100 -9.044 4.471 -1.574 1.00 0.00 ATOM 101 CA GLN 101 -9.717 5.881 1.893 1.00 0.00 ATOM 102 CA LYS 102 -7.931 8.525 3.964 1.00 0.00 ATOM 103 CA CYS 103 -7.169 5.633 6.266 1.00 0.00 ATOM 104 CA GLU 104 -5.328 4.409 9.307 1.00 0.00 ATOM 105 CA VAL 105 -1.820 5.218 10.677 1.00 0.00 ATOM 106 CA ASN 106 -1.309 1.766 12.081 1.00 0.00 ATOM 107 CA GLY 107 -2.628 1.210 15.601 1.00 0.00 ATOM 108 CA GLN 108 -5.920 -0.234 16.891 1.00 0.00 ATOM 109 CA ASN 109 -7.524 2.488 14.897 1.00 0.00 ATOM 110 CA GLU 110 -6.687 0.275 11.951 1.00 0.00 ATOM 111 CA HIS 111 -6.653 -1.049 8.409 1.00 0.00 ATOM 112 CA PRO 112 -7.751 -4.621 9.247 1.00 0.00 ATOM 113 CA VAL 113 -5.968 -5.929 6.120 1.00 0.00 ATOM 114 CA PHE 114 -2.789 -4.037 7.112 1.00 0.00 ATOM 115 CA ALA 115 -2.976 -5.520 10.638 1.00 0.00 ATOM 116 CA TYR 116 -3.390 -9.032 9.165 1.00 0.00 ATOM 117 CA LEU 117 -0.359 -8.463 6.894 1.00 0.00 ATOM 118 CA LYS 118 1.702 -7.283 9.899 1.00 0.00 ATOM 119 CA ASP 119 0.655 -10.396 11.870 1.00 0.00 ATOM 120 CA LYS 120 2.858 -12.462 9.507 1.00 0.00 ATOM 121 CA LEU 121 4.667 -10.600 6.743 1.00 0.00 ATOM 122 CA PRO 122 7.099 -9.599 9.490 1.00 0.00 ATOM 123 CA TYR 123 9.938 -7.152 9.393 1.00 0.00 ATOM 124 CA PRO 124 10.235 -5.854 5.881 1.00 0.00 ATOM 125 CA TYR 125 12.838 -8.410 4.810 1.00 0.00 ATOM 126 CA ASP 126 15.241 -5.675 3.717 1.00 0.00 ATOM 127 CA ASP 127 15.143 -2.519 5.857 1.00 0.00 ATOM 128 CA PRO 128 14.800 -4.362 9.102 1.00 0.00 ATOM 129 CA PHE 129 15.678 -2.657 12.376 1.00 0.00 ATOM 130 CA SER 130 15.627 0.792 10.687 1.00 0.00 ATOM 131 CA LEU 131 13.159 2.982 12.665 1.00 0.00 ATOM 132 CA MET 132 11.272 6.222 12.029 1.00 0.00 ATOM 133 CA THR 133 13.526 7.637 14.742 1.00 0.00 ATOM 134 CA ASP 134 12.376 11.230 14.625 1.00 0.00 ATOM 135 CA PRO 135 9.926 11.515 17.510 1.00 0.00 ATOM 136 CA LYS 136 7.657 14.557 17.262 1.00 0.00 ATOM 137 CA LEU 137 4.209 13.522 16.076 1.00 0.00 ATOM 138 CA ILE 138 5.167 9.873 15.675 1.00 0.00 ATOM 139 CA ILE 139 2.136 8.818 17.797 1.00 0.00 ATOM 140 CA TRP 140 1.062 5.174 17.973 1.00 0.00 ATOM 141 CA SER 141 -1.197 3.239 20.360 1.00 0.00 ATOM 142 CA PRO 142 2.091 1.688 21.410 1.00 0.00 ATOM 143 CA VAL 143 4.426 0.472 18.627 1.00 0.00 ATOM 144 CA ARG 144 5.602 -3.077 17.928 1.00 0.00 ATOM 145 CA ARG 145 8.881 -4.307 16.469 1.00 0.00 ATOM 146 CA SER 146 7.333 -4.952 13.125 1.00 0.00 ATOM 147 CA ASP 147 5.873 -1.766 11.681 1.00 0.00 ATOM 148 CA VAL 148 4.842 0.765 9.089 1.00 0.00 ATOM 149 CA ALA 149 7.636 3.436 9.062 1.00 0.00 ATOM 150 CA TRP 150 6.320 5.246 6.024 1.00 0.00 ATOM 151 CA ASN 151 5.730 5.988 2.398 1.00 0.00 ATOM 152 CA PHE 152 4.652 2.762 0.597 1.00 0.00 ATOM 153 CA GLU 153 5.223 -0.145 3.006 1.00 0.00 ATOM 154 CA LYS 154 4.653 -2.410 -0.049 1.00 0.00 ATOM 155 CA PHE 155 2.681 -5.513 0.739 1.00 0.00 ATOM 156 CA LEU 156 3.270 -8.373 -1.626 1.00 0.00 ATOM 157 CA ILE 157 0.604 -10.910 -2.738 1.00 0.00 ATOM 158 CA GLY 158 0.714 -14.661 -3.415 1.00 0.00 ATOM 159 CA PRO 159 -2.349 -15.618 -5.458 1.00 0.00 ATOM 160 CA GLU 160 -5.465 -17.500 -4.409 1.00 0.00 ATOM 161 CA GLY 161 -5.485 -14.918 -1.608 1.00 0.00 ATOM 162 CA GLU 162 -2.453 -15.351 0.574 1.00 0.00 ATOM 163 CA PRO 163 0.335 -13.167 1.800 1.00 0.00 ATOM 164 CA PHE 164 3.988 -13.080 0.769 1.00 0.00 ATOM 165 CA ARG 165 6.983 -10.697 1.156 1.00 0.00 ATOM 166 CA ARG 166 7.649 -6.992 1.570 1.00 0.00 ATOM 167 CA TYR 167 9.889 -3.979 0.898 1.00 0.00 ATOM 168 CA SER 168 10.581 -1.141 3.329 1.00 0.00 ATOM 169 CA ARG 169 10.483 2.477 2.155 1.00 0.00 ATOM 170 CA THR 170 13.869 2.985 0.626 1.00 0.00 ATOM 171 CA PHE 171 12.975 0.687 -2.277 1.00 0.00 ATOM 172 CA PRO 172 12.737 0.779 -6.118 1.00 0.00 ATOM 173 CA THR 173 9.356 -0.791 -6.618 1.00 0.00 ATOM 174 CA ILE 174 10.875 -2.510 -9.685 1.00 0.00 ATOM 175 CA ASN 175 12.241 -5.316 -7.466 1.00 0.00 ATOM 176 CA ILE 176 8.794 -5.755 -5.856 1.00 0.00 ATOM 177 CA GLU 177 7.171 -5.929 -9.320 1.00 0.00 ATOM 178 CA PRO 178 9.728 -8.563 -10.413 1.00 0.00 ATOM 179 CA ASP 179 9.009 -10.606 -7.255 1.00 0.00 ATOM 180 CA ILE 180 5.248 -10.396 -7.944 1.00 0.00 ATOM 181 CA LYS 181 5.819 -11.558 -11.549 1.00 0.00 ATOM 182 CA ARG 182 7.928 -14.497 -10.293 1.00 0.00 ATOM 183 CA LEU 183 5.171 -15.447 -7.811 1.00 0.00 ATOM 184 CA LEU 184 2.566 -15.310 -10.614 1.00 0.00 ATOM 185 CA LYS 185 3.875 -17.900 -13.054 1.00 0.00 ENDMDL