EXPDTA T0319TS393_5-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called T0319TS393_5-scwrl ATOM 1 CA MET 1 1.734 3.470 -13.546 1.00 0.00 ATOM 2 CA LYS 2 -1.681 3.534 -11.962 1.00 0.00 ATOM 3 CA PHE 3 -3.036 4.105 -8.516 1.00 0.00 ATOM 4 CA LEU 4 -4.646 1.104 -6.863 1.00 0.00 ATOM 5 CA THR 5 -4.220 -0.547 -3.432 1.00 0.00 ATOM 6 CA THR 6 -5.644 -3.026 -0.897 1.00 0.00 ATOM 7 CA ASN 7 -3.035 -5.809 -0.300 1.00 0.00 ATOM 8 CA PHE 8 -2.477 -5.252 -4.030 1.00 0.00 ATOM 9 CA LEU 9 -0.304 -8.355 -3.658 1.00 0.00 ATOM 10 CA LYS 10 0.120 -12.110 -3.806 1.00 0.00 ATOM 11 CA CYS 11 3.841 -11.367 -4.241 1.00 0.00 ATOM 12 CA SER 12 5.740 -14.338 -5.628 1.00 0.00 ATOM 13 CA VAL 13 2.475 -15.658 -7.109 1.00 0.00 ATOM 14 CA LYS 14 2.698 -14.722 -10.839 1.00 0.00 ATOM 15 CA ALA 15 3.941 -11.385 -9.405 1.00 0.00 ATOM 16 CA CYS 16 3.064 -7.673 -9.405 1.00 0.00 ATOM 17 CA ASP 17 1.721 -7.758 -13.004 1.00 0.00 ATOM 18 CA THR 18 0.082 -10.987 -14.169 1.00 0.00 ATOM 19 CA SER 19 -3.341 -9.731 -13.061 1.00 0.00 ATOM 20 CA ASN 20 -2.627 -7.012 -15.581 1.00 0.00 ATOM 21 CA ASP 21 -3.119 -3.554 -14.182 1.00 0.00 ATOM 22 CA ASN 22 -6.353 -4.533 -12.464 1.00 0.00 ATOM 23 CA PHE 23 -6.535 -3.958 -8.742 1.00 0.00 ATOM 24 CA PRO 24 -3.580 -6.405 -8.508 1.00 0.00 ATOM 25 CA LEU 25 -1.474 -3.216 -8.868 1.00 0.00 ATOM 26 CA GLN 26 1.566 -3.760 -6.647 1.00 0.00 ATOM 27 CA TYR 27 3.783 -3.911 -3.525 1.00 0.00 ATOM 28 CA ASP 28 5.275 -6.287 -0.946 1.00 0.00 ATOM 29 CA GLY 29 6.573 -7.312 2.448 1.00 0.00 ATOM 30 CA SER 30 3.751 -9.654 3.633 1.00 0.00 ATOM 31 CA LYS 31 1.664 -6.496 3.329 1.00 0.00 ATOM 32 CA CYS 32 1.405 -3.295 1.283 1.00 0.00 ATOM 33 CA GLN 33 -0.009 -0.529 -0.999 1.00 0.00 ATOM 34 CA LEU 34 0.297 1.052 -4.453 1.00 0.00 ATOM 35 CA VAL 35 -1.620 4.112 -3.312 1.00 0.00 ATOM 36 CA GLN 36 -4.740 6.100 -4.134 1.00 0.00 ATOM 37 CA ASP 37 -6.653 8.600 -6.247 1.00 0.00 ATOM 38 CA GLU 38 -10.207 9.431 -7.236 1.00 0.00 ATOM 39 CA SER 39 -12.434 12.511 -6.925 1.00 0.00 ATOM 40 CA ILE 40 -10.279 13.938 -4.172 1.00 0.00 ATOM 41 CA GLU 41 -8.025 16.743 -2.796 1.00 0.00 ATOM 42 CA PHE 42 -5.094 15.915 -5.053 1.00 0.00 ATOM 43 CA ASN 43 -2.091 13.964 -6.442 1.00 0.00 ATOM 44 CA PRO 44 0.444 12.967 -3.729 1.00 0.00 ATOM 45 CA GLU 45 -0.513 14.989 -0.620 1.00 0.00 ATOM 46 CA PHE 46 -4.025 13.464 -0.680 1.00 0.00 ATOM 47 CA LEU 47 -2.523 9.952 -0.964 1.00 0.00 ATOM 48 CA LEU 48 -0.207 10.677 1.999 1.00 0.00 ATOM 49 CA ASN 49 -3.188 11.917 4.058 1.00 0.00 ATOM 50 CA ILE 50 -5.143 8.742 3.184 1.00 0.00 ATOM 51 CA VAL 51 -2.157 6.585 4.233 1.00 0.00 ATOM 52 CA ASP 52 -1.914 8.490 7.546 1.00 0.00 ATOM 53 CA ARG 53 1.056 8.152 9.847 1.00 0.00 ATOM 54 CA VAL 54 3.645 6.386 7.642 1.00 0.00 ATOM 55 CA ASP 55 3.364 7.342 4.006 1.00 0.00 ATOM 56 CA TRP 56 2.035 3.849 3.395 1.00 0.00 ATOM 57 CA PRO 57 5.659 2.899 4.192 1.00 0.00 ATOM 58 CA ALA 58 5.549 0.147 1.532 1.00 0.00 ATOM 59 CA VAL 59 4.166 2.640 -1.025 1.00 0.00 ATOM 60 CA LEU 60 6.958 5.114 -0.160 1.00 0.00 ATOM 61 CA THR 61 9.574 2.349 -0.587 1.00 0.00 ATOM 62 CA VAL 62 8.075 1.422 -3.988 1.00 0.00 ATOM 63 CA ALA 63 8.183 5.096 -5.064 1.00 0.00 ATOM 64 CA ALA 64 11.846 5.334 -3.973 1.00 0.00 ATOM 65 CA GLU 65 12.669 2.165 -5.960 1.00 0.00 ATOM 66 CA LEU 66 10.922 3.615 -9.044 1.00 0.00 ATOM 67 CA GLY 67 14.163 5.621 -9.297 1.00 0.00 ATOM 68 CA ASN 68 17.527 7.305 -8.548 1.00 0.00 ATOM 69 CA ASN 69 17.049 10.978 -7.576 1.00 0.00 ATOM 70 CA ALA 70 18.722 12.983 -4.805 1.00 0.00 ATOM 71 CA LEU 71 19.160 12.322 -1.068 1.00 0.00 ATOM 72 CA PRO 72 22.734 10.900 -1.395 1.00 0.00 ATOM 73 CA PRO 73 26.482 10.786 -2.123 1.00 0.00 ATOM 74 CA THR 74 26.387 7.995 0.487 1.00 0.00 ATOM 75 CA LYS 75 29.703 6.304 1.267 1.00 0.00 ATOM 76 CA PRO 76 28.210 3.153 2.786 1.00 0.00 ATOM 77 CA SER 77 26.504 5.215 5.446 1.00 0.00 ATOM 78 CA PHE 78 26.371 1.932 7.273 1.00 0.00 ATOM 79 CA PRO 79 29.070 -0.715 6.535 1.00 0.00 ATOM 80 CA SER 80 27.157 -3.474 8.231 1.00 0.00 ATOM 81 CA SER 81 25.673 -6.970 8.343 1.00 0.00 ATOM 82 CA ILE 82 23.663 -6.036 11.453 1.00 0.00 ATOM 83 CA GLN 83 21.082 -8.604 12.291 1.00 0.00 ATOM 84 CA GLU 84 19.134 -10.331 15.031 1.00 0.00 ATOM 85 CA LEU 85 16.232 -7.973 15.590 1.00 0.00 ATOM 86 CA THR 86 15.035 -4.887 13.652 1.00 0.00 ATOM 87 CA ASP 87 12.854 -2.286 15.425 1.00 0.00 ATOM 88 CA ASP 88 12.921 -0.067 12.305 1.00 0.00 ATOM 89 CA ASP 89 11.910 -3.053 10.130 1.00 0.00 ATOM 90 CA MET 90 9.026 -3.849 12.520 1.00 0.00 ATOM 91 CA ALA 91 7.870 -0.200 12.379 1.00 0.00 ATOM 92 CA ILE 92 7.987 -0.285 8.552 1.00 0.00 ATOM 93 CA LEU 93 5.934 -3.518 8.536 1.00 0.00 ATOM 94 CA ASN 94 3.361 -1.925 10.882 1.00 0.00 ATOM 95 CA ASP 95 3.139 1.141 8.597 1.00 0.00 ATOM 96 CA LEU 96 2.621 -1.132 5.558 1.00 0.00 ATOM 97 CA HIS 97 -0.146 -3.022 7.413 1.00 0.00 ATOM 98 CA THR 98 -1.835 0.293 8.322 1.00 0.00 ATOM 99 CA LEU 99 -1.651 1.418 4.666 1.00 0.00 ATOM 100 CA LEU 100 -3.194 -1.902 3.541 1.00 0.00 ATOM 101 CA LEU 101 -6.012 -1.488 6.102 1.00 0.00 ATOM 102 CA GLN 102 -6.658 2.074 4.851 1.00 0.00 ATOM 103 CA THR 103 -5.385 1.985 1.280 1.00 0.00 ATOM 104 CA SER 104 -7.660 2.731 -1.676 1.00 0.00 ATOM 105 CA ILE 105 -9.129 0.450 -4.264 1.00 0.00 ATOM 106 CA ALA 106 -12.231 -1.665 -4.186 1.00 0.00 ATOM 107 CA GLU 107 -12.948 -4.492 -6.626 1.00 0.00 ATOM 108 CA GLY 108 -12.692 -6.802 -3.617 1.00 0.00 ATOM 109 CA GLU 109 -9.006 -6.655 -2.645 1.00 0.00 ATOM 110 CA MET 110 -5.964 -8.783 -3.153 1.00 0.00 ATOM 111 CA LYS 111 -5.016 -11.249 -0.430 1.00 0.00 ATOM 112 CA CYS 112 -1.926 -11.101 1.847 1.00 0.00 ATOM 113 CA ARG 113 -3.069 -13.368 4.739 1.00 0.00 ATOM 114 CA ASN 114 -1.318 -14.537 7.905 1.00 0.00 ATOM 115 CA CYS 115 -0.912 -10.770 8.201 1.00 0.00 ATOM 116 CA GLY 116 -4.441 -9.656 8.943 1.00 0.00 ATOM 117 CA HIS 117 -3.833 -6.531 6.876 1.00 0.00 ATOM 118 CA ILE 118 -5.356 -7.496 3.527 1.00 0.00 ATOM 119 CA TYR 119 -8.120 -4.956 2.998 1.00 0.00 ATOM 120 CA TYR 120 -10.639 -2.986 0.958 1.00 0.00 ATOM 121 CA ILE 121 -11.754 -1.377 4.270 1.00 0.00 ATOM 122 CA LYS 122 -14.543 -0.667 6.756 1.00 0.00 ATOM 123 CA ASN 123 -17.787 0.882 8.031 1.00 0.00 ATOM 124 CA GLY 124 -20.861 1.614 10.113 1.00 0.00 ATOM 125 CA ILE 125 -24.350 3.188 10.278 1.00 0.00 ATOM 126 CA PRO 126 -25.266 4.210 6.730 1.00 0.00 ATOM 127 CA ASN 127 -26.075 0.530 6.289 1.00 0.00 ATOM 128 CA LEU 128 -26.416 1.311 2.646 1.00 0.00 ATOM 129 CA LEU 129 -29.322 2.837 0.752 1.00 0.00 ATOM 130 CA LEU 130 -30.394 0.506 -2.006 1.00 0.00 ATOM 131 CA PRO 131 -29.512 0.329 -5.766 1.00 0.00 ATOM 132 CA PRO 132 -33.087 1.202 -6.595 1.00 0.00 ATOM 133 CA HIS 133 -33.864 4.683 -7.746 1.00 0.00 ATOM 134 CA LEU 134 -34.430 7.075 -10.708 1.00 0.00 ATOM 135 CA VAL 135 -33.817 10.013 -8.376 1.00 0.00 ENDMDL