EXPDTA T0382TS009_3_1-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called T0382TS009_3_1-scwrl ATOM 1 N MET A 1 0.000 0.000 0.000 1.00 0.00 ATOM 2 CA MET A 1 0.000 -1.269 -0.783 1.00 0.00 ATOM 3 CB MET A 1 -1.203 -2.134 -0.401 1.00 0.00 ATOM 4 CG MET A 1 -1.162 -2.658 1.025 1.00 0.00 ATOM 5 SD MET A 1 0.245 -3.744 1.328 1.00 0.00 ATOM 6 CE MET A 1 -0.217 -5.176 0.357 1.00 0.00 ATOM 7 O MET A 1 -0.994 -1.443 -2.962 1.00 0.00 ATOM 8 C MET A 1 -0.073 -0.992 -2.281 1.00 0.00 ATOM 9 N SER A 2 0.904 -0.247 -2.788 1.00 0.00 ATOM 10 CA SER A 2 0.953 0.092 -4.206 1.00 0.00 ATOM 11 CB SER A 2 1.837 -0.901 -4.964 1.00 0.00 ATOM 12 OG SER A 2 1.951 -0.542 -6.330 1.00 0.00 ATOM 13 O SER A 2 -1.344 0.765 -4.386 1.00 0.00 ATOM 14 C SER A 2 -0.438 0.058 -4.829 1.00 0.00 ATOM 15 N LYS A 3 -0.601 -0.767 -5.858 1.00 0.00 ATOM 16 CA LYS A 3 -1.881 -0.894 -6.543 1.00 0.00 ATOM 17 CB LYS A 3 -1.702 -0.711 -8.051 1.00 0.00 ATOM 18 CG LYS A 3 -1.106 0.629 -8.448 1.00 0.00 ATOM 19 CD LYS A 3 -2.028 1.777 -8.070 1.00 0.00 ATOM 20 CE LYS A 3 -1.446 3.116 -8.493 1.00 0.00 ATOM 21 NZ LYS A 3 -1.326 3.227 -9.973 1.00 0.00 ATOM 22 O LYS A 3 -2.022 -3.038 -5.474 1.00 0.00 ATOM 23 C LYS A 3 -2.502 -2.266 -6.304 1.00 0.00 ATOM 24 N LEU A 4 -3.570 -2.563 -7.036 1.00 0.00 ATOM 25 CA LEU A 4 -4.258 -3.842 -6.905 1.00 0.00 ATOM 26 CB LEU A 4 -5.359 -3.752 -5.847 1.00 0.00 ATOM 27 CG LEU A 4 -6.112 -5.048 -5.540 1.00 0.00 ATOM 28 CD1 LEU A 4 -5.169 -6.095 -4.968 1.00 0.00 ATOM 29 CD2 LEU A 4 -7.218 -4.800 -4.526 1.00 0.00 ATOM 30 O LEU A 4 -4.312 -5.005 -9.004 1.00 0.00 ATOM 31 C LEU A 4 -4.902 -4.260 -8.222 1.00 0.00 ATOM 32 N ASP A 5 -6.116 -3.775 -8.461 1.00 0.00 ATOM 33 CA ASP A 5 -6.843 -4.097 -9.684 1.00 0.00 ATOM 34 CB ASP A 5 -8.044 -3.165 -9.854 1.00 0.00 ATOM 35 CG ASP A 5 -9.001 -3.638 -10.931 1.00 0.00 ATOM 36 OD1 ASP A 5 -8.661 -4.606 -11.644 1.00 0.00 ATOM 37 OD2 ASP A 5 -10.090 -3.042 -11.062 1.00 0.00 ATOM 38 O ASP A 5 -5.457 -4.935 -11.455 1.00 0.00 ATOM 39 C ASP A 5 -5.950 -3.947 -10.911 1.00 0.00 ATOM 40 N LEU A 6 -5.747 -2.707 -11.342 1.00 0.00 ATOM 41 CA LEU A 6 -4.914 -2.426 -12.505 1.00 0.00 ATOM 42 CB LEU A 6 -3.957 -1.269 -12.212 1.00 0.00 ATOM 43 CG LEU A 6 -4.602 0.095 -11.953 1.00 0.00 ATOM 44 CD1 LEU A 6 -3.552 1.117 -11.545 1.00 0.00 ATOM 45 CD2 LEU A 6 -5.301 0.605 -13.204 1.00 0.00 ATOM 46 O LEU A 6 -3.394 -3.637 -13.914 1.00 0.00 ATOM 47 C LEU A 6 -4.080 -3.643 -12.892 1.00 0.00 ATOM 48 N HIS A 7 -4.144 -4.684 -12.069 1.00 0.00 ATOM 49 CA HIS A 7 -3.395 -5.909 -12.324 1.00 0.00 ATOM 50 CB HIS A 7 -4.169 -7.126 -11.814 1.00 0.00 ATOM 51 CG HIS A 7 -3.466 -8.428 -12.042 1.00 0.00 ATOM 52 CD2 HIS A 7 -3.597 -9.528 -12.986 1.00 0.00 ATOM 53 ND1 HIS A 7 -2.412 -8.851 -11.261 1.00 0.00 ATOM 54 CE1 HIS A 7 -1.991 -10.049 -11.705 1.00 0.00 ATOM 55 NE2 HIS A 7 -2.698 -10.461 -12.739 1.00 0.00 ATOM 56 O HIS A 7 -1.996 -6.095 -14.266 1.00 0.00 ATOM 57 C HIS A 7 -3.142 -6.100 -13.816 1.00 0.00 ATOM 58 N GLN A 8 -4.218 -6.269 -14.577 1.00 0.00 ATOM 59 CA GLN A 8 -4.114 -6.462 -16.019 1.00 0.00 ATOM 60 CB GLN A 8 -5.470 -6.860 -16.605 1.00 0.00 ATOM 61 CG GLN A 8 -5.928 -8.257 -16.217 1.00 0.00 ATOM 62 CD GLN A 8 -7.321 -8.575 -16.723 1.00 0.00 ATOM 63 OE1 GLN A 8 -7.999 -7.715 -17.285 1.00 0.00 ATOM 64 NE2 GLN A 8 -7.753 -9.815 -16.525 1.00 0.00 ATOM 65 O GLN A 8 -2.889 -5.232 -17.677 1.00 0.00 ATOM 66 C GLN A 8 -3.655 -5.185 -16.714 1.00 0.00 ATOM 67 N MET A 9 -4.129 -4.045 -16.221 1.00 0.00 ATOM 68 CA MET A 9 -3.768 -2.754 -16.794 1.00 0.00 ATOM 69 CB MET A 9 -2.956 -1.931 -15.792 1.00 0.00 ATOM 70 CG MET A 9 -2.580 -0.544 -16.287 1.00 0.00 ATOM 71 SD MET A 9 -1.645 0.400 -15.069 1.00 0.00 ATOM 72 CE MET A 9 -0.069 -0.448 -15.120 1.00 0.00 ATOM 73 O MET A 9 -2.806 -2.003 -18.861 1.00 0.00 ATOM 74 C MET A 9 -2.928 -2.925 -18.055 1.00 0.00 ATOM 75 N THR A 10 -2.351 -4.111 -18.219 1.00 0.00 ATOM 76 CA THR A 10 -1.502 -4.412 -19.407 1.00 0.00 ATOM 77 CB THR A 10 -1.831 -5.795 -20.000 1.00 0.00 ATOM 78 CG2 THR A 10 -0.959 -6.074 -21.215 1.00 0.00 ATOM 79 OG1 THR A 10 -1.593 -6.809 -19.016 1.00 0.00 ATOM 80 O THR A 10 -0.814 -3.128 -21.316 1.00 0.00 ATOM 81 C THR A 10 -1.710 -3.378 -20.509 1.00 0.00 ATOM 82 N THR A 11 -2.896 -2.780 -20.536 1.00 0.00 ATOM 83 CA THR A 11 -3.231 -1.750 -21.561 1.00 0.00 ATOM 84 CB THR A 11 -4.455 -0.915 -21.143 1.00 0.00 ATOM 85 CG2 THR A 11 -4.790 0.113 -22.213 1.00 0.00 ATOM 86 OG1 THR A 11 -5.585 -1.777 -20.958 1.00 0.00 ATOM 87 O THR A 11 -1.790 -0.373 -22.900 1.00 0.00 ATOM 88 C THR A 11 -2.068 -0.786 -21.774 1.00 0.00 ATOM 89 N GLN A 12 -1.393 -0.432 -20.686 1.00 0.00 ATOM 90 CA GLN A 12 -0.260 0.483 -20.751 1.00 0.00 ATOM 91 CB GLN A 12 0.634 0.317 -19.520 1.00 0.00 ATOM 92 CG GLN A 12 1.315 -1.038 -19.426 1.00 0.00 ATOM 93 CD GLN A 12 2.130 -1.194 -18.157 1.00 0.00 ATOM 94 OE1 GLN A 12 2.239 -0.262 -17.360 1.00 0.00 ATOM 95 NE2 GLN A 12 2.704 -2.376 -17.966 1.00 0.00 ATOM 96 O GLN A 12 1.557 0.936 -22.254 1.00 0.00 ATOM 97 C GLN A 12 0.589 0.222 -21.991 1.00 0.00 ATOM 98 N ASP A 13 0.220 -0.805 -22.749 1.00 0.00 ATOM 99 CA ASP A 13 0.947 -1.162 -23.962 1.00 0.00 ATOM 100 CB ASP A 13 0.260 -0.568 -25.193 1.00 0.00 ATOM 101 CG ASP A 13 0.237 0.948 -25.173 1.00 0.00 ATOM 102 OD1 ASP A 13 0.816 1.538 -24.237 1.00 0.00 ATOM 103 OD2 ASP A 13 -0.361 1.545 -26.093 1.00 0.00 ATOM 104 O ASP A 13 3.085 -0.659 -24.929 1.00 0.00 ATOM 105 C ASP A 13 2.378 -0.639 -23.922 1.00 0.00 ATOM 106 N LEU A 14 2.799 -0.170 -22.752 1.00 0.00 ATOM 107 CA LEU A 14 4.146 0.360 -22.578 1.00 0.00 ATOM 108 CB LEU A 14 4.910 -0.452 -21.530 1.00 0.00 ATOM 109 CG LEU A 14 6.336 0.009 -21.223 1.00 0.00 ATOM 110 CD1 LEU A 14 6.333 1.409 -20.628 1.00 0.00 ATOM 111 CD2 LEU A 14 7.002 -0.929 -20.228 1.00 0.00 ATOM 112 O LEU A 14 5.866 -0.484 -24.024 1.00 0.00 ATOM 113 C LEU A 14 4.932 0.306 -23.883 1.00 0.00 ATOM 114 N VAL A 15 4.549 1.150 -24.835 1.00 0.00 ATOM 115 CA VAL A 15 5.232 1.201 -26.159 1.00 0.00 ATOM 116 CB VAL A 15 5.225 2.626 -26.743 1.00 0.00 ATOM 117 CG1 VAL A 15 6.066 2.687 -28.009 1.00 0.00 ATOM 118 CG2 VAL A 15 3.806 3.053 -27.088 1.00 0.00 ATOM 119 O VAL A 15 7.227 0.130 -26.958 1.00 0.00 ATOM 120 C VAL A 15 6.687 0.758 -26.047 1.00 0.00 ATOM 121 N ALA A 16 7.316 1.088 -24.924 1.00 0.00 ATOM 122 CA ALA A 16 8.708 0.725 -24.690 1.00 0.00 ATOM 123 CB ALA A 16 8.838 -0.075 -23.403 1.00 0.00 ATOM 124 O ALA A 16 10.280 0.210 -26.430 1.00 0.00 ATOM 125 C ALA A 16 9.256 -0.123 -25.833 1.00 0.00 ATOM 126 N LEU A 17 8.568 -1.220 -26.132 1.00 0.00 ATOM 127 CA LEU A 17 8.984 -2.117 -27.203 1.00 0.00 ATOM 128 CB LEU A 17 7.776 -2.856 -27.782 1.00 0.00 ATOM 129 CG LEU A 17 8.058 -3.807 -28.947 1.00 0.00 ATOM 130 CD1 LEU A 17 8.946 -4.957 -28.500 1.00 0.00 ATOM 131 CD2 LEU A 17 6.763 -4.390 -29.491 1.00 0.00 ATOM 132 O LEU A 17 10.757 -1.694 -28.765 1.00 0.00 ATOM 133 C LEU A 17 9.656 -1.349 -28.336 1.00 0.00 ATOM 134 N PHE A 18 8.985 -0.307 -28.817 1.00 0.00 ATOM 135 CA PHE A 18 9.516 0.511 -29.900 1.00 0.00 ATOM 136 CB PHE A 18 8.590 1.696 -30.180 1.00 0.00 ATOM 137 CG PHE A 18 9.054 2.575 -31.306 1.00 0.00 ATOM 138 CD1 PHE A 18 8.865 2.194 -32.624 1.00 0.00 ATOM 139 CD2 PHE A 18 9.679 3.783 -31.049 1.00 0.00 ATOM 140 CE1 PHE A 18 9.292 3.003 -33.660 1.00 0.00 ATOM 141 CE2 PHE A 18 10.105 4.591 -32.085 1.00 0.00 ATOM 142 CZ PHE A 18 9.914 4.206 -33.386 1.00 0.00 ATOM 143 O PHE A 18 11.641 0.453 -28.785 1.00 0.00 ATOM 144 C PHE A 18 10.895 1.062 -29.552 1.00 0.00 ATOM 145 N ALA A 19 11.227 2.216 -30.121 1.00 0.00 ATOM 146 CA ALA A 19 12.516 2.850 -29.872 1.00 0.00 ATOM 147 CB ALA A 19 13.381 2.801 -31.122 1.00 0.00 ATOM 148 O ALA A 19 11.223 4.812 -29.381 1.00 0.00 ATOM 149 C ALA A 19 12.344 4.311 -29.472 1.00 0.00 ATOM 150 N LYS A 20 13.461 4.990 -29.233 1.00 0.00 ATOM 151 CA LYS A 20 13.436 6.394 -28.843 1.00 0.00 ATOM 152 CB LYS A 20 12.919 6.543 -27.411 1.00 0.00 ATOM 153 CG LYS A 20 12.796 7.984 -26.942 1.00 0.00 ATOM 154 CD LYS A 20 12.211 8.061 -25.541 1.00 0.00 ATOM 155 CE LYS A 20 12.099 9.501 -25.068 1.00 0.00 ATOM 156 NZ LYS A 20 11.526 9.592 -23.697 1.00 0.00 ATOM 157 O LYS A 20 15.402 7.159 -29.988 1.00 0.00 ATOM 158 C LYS A 20 14.830 7.010 -28.909 1.00 0.00 ATOM 159 N VAL A 21 15.369 7.367 -27.748 1.00 0.00 ATOM 160 CA VAL A 21 16.726 7.980 -27.670 1.00 0.00 ATOM 161 CB VAL A 21 16.652 9.518 -27.679 1.00 0.00 ATOM 162 CG1 VAL A 21 16.058 10.015 -28.988 1.00 0.00 ATOM 163 CG2 VAL A 21 15.780 10.016 -26.536 1.00 0.00 ATOM 164 O VAL A 21 16.819 7.140 -25.423 1.00 0.00 ATOM 165 C VAL A 21 17.448 7.563 -26.393 1.00 0.00 ATOM 166 N THR A 22 18.771 7.684 -26.401 1.00 0.00 ATOM 167 CA THR A 22 19.599 7.311 -25.218 1.00 0.00 ATOM 168 CB THR A 22 18.735 6.725 -24.086 1.00 0.00 ATOM 169 CG2 THR A 22 17.679 7.729 -23.648 1.00 0.00 ATOM 170 OG1 THR A 22 18.081 5.536 -24.547 1.00 0.00 ATOM 171 O THR A 22 21.539 6.523 -26.392 1.00 0.00 ATOM 172 C THR A 22 20.646 6.264 -25.585 1.00 0.00 ATOM 173 N VAL A 23 20.528 5.083 -24.989 1.00 0.00 ATOM 174 CA VAL A 23 21.484 3.971 -25.258 1.00 0.00 ATOM 175 CB VAL A 23 22.018 3.357 -23.951 1.00 0.00 ATOM 176 CG1 VAL A 23 22.824 4.385 -23.170 1.00 0.00 ATOM 177 CG2 VAL A 23 20.868 2.884 -23.075 1.00 0.00 ATOM 178 O VAL A 23 19.963 3.103 -26.899 1.00 0.00 ATOM 179 C VAL A 23 20.820 2.852 -26.052 1.00 0.00 ATOM 180 N GLU A 24 21.220 1.616 -25.772 1.00 0.00 ATOM 181 CA GLU A 24 20.664 0.456 -26.460 1.00 0.00 ATOM 182 CB GLU A 24 21.464 0.150 -27.728 1.00 0.00 ATOM 183 CG GLU A 24 22.914 -0.226 -27.470 1.00 0.00 ATOM 184 CD GLU A 24 23.695 -0.449 -28.751 1.00 0.00 ATOM 185 OE1 GLU A 24 23.089 -0.355 -29.839 1.00 0.00 ATOM 186 OE2 GLU A 24 24.912 -0.717 -28.666 1.00 0.00 ATOM 187 O GLU A 24 21.443 -0.834 -24.591 1.00 0.00 ATOM 188 C GLU A 24 20.698 -0.781 -25.569 1.00 0.00 ATOM 189 N GLN 25 19.886 -1.775 -25.914 1.00 0.00 ATOM 190 CA GLN 25 19.821 -3.013 -25.147 1.00 0.00 ENDMDL