EXPDTA T0338TS393_4-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called T0338TS393_4-scwrl ATOM 1 CA ALA 1 -21.965 5.206 -17.228 1.00 0.00 ATOM 2 CA SER 2 -19.848 2.029 -17.309 1.00 0.00 ATOM 3 CA SER 3 -18.659 -1.154 -19.113 1.00 0.00 ATOM 4 CA ARG 4 -16.845 -3.515 -16.748 1.00 0.00 ATOM 5 CA TRP 5 -13.142 -3.778 -15.914 1.00 0.00 ATOM 6 CA PHE 6 -10.419 -6.006 -17.203 1.00 0.00 ATOM 7 CA PHE 7 -7.335 -3.820 -17.416 1.00 0.00 ATOM 8 CA THR 8 -3.923 -2.834 -18.853 1.00 0.00 ATOM 9 CA ARG 9 -4.511 -1.147 -22.231 1.00 0.00 ATOM 10 CA GLU 10 -5.832 0.468 -25.443 1.00 0.00 ATOM 11 CA GLN 11 -3.333 3.344 -25.054 1.00 0.00 ATOM 12 CA LEU 12 -0.484 0.833 -24.555 1.00 0.00 ATOM 13 CA GLU 13 -1.576 -1.067 -27.695 1.00 0.00 ATOM 14 CA ASN 14 -3.376 -3.470 -30.123 1.00 0.00 ATOM 15 CA THR 15 -1.694 -6.292 -28.189 1.00 0.00 ATOM 16 CA PRO 16 -3.334 -8.532 -30.792 1.00 0.00 ATOM 17 CA SER 17 -4.437 -11.934 -32.024 1.00 0.00 ATOM 18 CA ARG 18 -1.984 -14.586 -30.785 1.00 0.00 ATOM 19 CA ARG 19 1.330 -15.998 -29.608 1.00 0.00 ATOM 20 CA CYS 20 4.181 -17.501 -27.556 1.00 0.00 ATOM 21 CA GLY 21 7.744 -16.162 -28.142 1.00 0.00 ATOM 22 CA VAL 22 8.656 -14.359 -24.878 1.00 0.00 ATOM 23 CA GLU 23 11.960 -14.904 -23.053 1.00 0.00 ATOM 24 CA ALA 24 14.134 -11.764 -23.474 1.00 0.00 ATOM 25 CA ASP 25 13.447 -8.902 -25.925 1.00 0.00 ATOM 26 CA LYS 26 9.694 -9.155 -25.205 1.00 0.00 ATOM 27 CA GLU 27 10.384 -9.056 -21.440 1.00 0.00 ATOM 28 CA LEU 28 12.596 -5.964 -21.902 1.00 0.00 ATOM 29 CA SER 29 9.837 -4.264 -23.942 1.00 0.00 ATOM 30 CA CYS 30 7.282 -5.073 -21.206 1.00 0.00 ATOM 31 CA ARG 31 9.628 -3.619 -18.551 1.00 0.00 ATOM 32 CA GLN 32 10.067 -0.442 -20.644 1.00 0.00 ATOM 33 CA GLN 33 6.268 -0.126 -21.007 1.00 0.00 ATOM 34 CA ALA 34 5.847 -0.539 -17.223 1.00 0.00 ATOM 35 CA ALA 35 8.492 2.162 -16.609 1.00 0.00 ATOM 36 CA ASN 36 6.693 4.510 -19.041 1.00 0.00 ATOM 37 CA LEU 37 3.372 3.867 -17.245 1.00 0.00 ATOM 38 CA ILE 38 5.023 4.615 -13.872 1.00 0.00 ATOM 39 CA GLN 39 6.470 7.872 -15.274 1.00 0.00 ATOM 40 CA GLU 40 3.016 8.866 -16.596 1.00 0.00 ATOM 41 CA MET 41 1.468 8.137 -13.169 1.00 0.00 ATOM 42 CA GLY 42 4.159 10.269 -11.473 1.00 0.00 ATOM 43 CA GLN 43 3.471 13.131 -13.923 1.00 0.00 ATOM 44 CA ARG 44 -0.282 12.878 -13.204 1.00 0.00 ATOM 45 CA LEU 45 0.371 13.713 -9.550 1.00 0.00 ATOM 46 CA ASN 46 -1.131 17.215 -9.465 1.00 0.00 ATOM 47 CA VAL 47 -1.230 16.621 -5.738 1.00 0.00 ATOM 48 CA SER 48 -4.820 16.656 -4.611 1.00 0.00 ATOM 49 CA GLN 49 -6.418 16.267 -1.196 1.00 0.00 ATOM 50 CA LEU 50 -4.454 13.311 0.242 1.00 0.00 ATOM 51 CA THR 51 -7.406 10.975 -0.459 1.00 0.00 ATOM 52 CA ILE 52 -7.612 12.274 -4.055 1.00 0.00 ATOM 53 CA ASN 53 -3.854 11.691 -4.507 1.00 0.00 ATOM 54 CA THR 54 -4.219 8.127 -3.155 1.00 0.00 ATOM 55 CA ALA 55 -7.117 7.480 -5.574 1.00 0.00 ATOM 56 CA ILE 56 -5.011 8.801 -8.488 1.00 0.00 ATOM 57 CA VAL 57 -2.111 6.521 -7.458 1.00 0.00 ATOM 58 CA TYR 58 -4.490 3.524 -7.304 1.00 0.00 ATOM 59 CA MET 59 -5.830 4.377 -10.789 1.00 0.00 ATOM 60 CA HIS 60 -2.251 4.610 -12.134 1.00 0.00 ATOM 61 CA ARG 61 -1.421 1.208 -10.583 1.00 0.00 ATOM 62 CA PHE 62 -4.553 -0.312 -12.178 1.00 0.00 ATOM 63 CA TYR 63 -3.562 1.150 -15.576 1.00 0.00 ATOM 64 CA MET 64 -0.040 -0.306 -15.203 1.00 0.00 ATOM 65 CA HIS 65 -1.520 -3.730 -14.336 1.00 0.00 ATOM 66 CA HIS 66 1.790 -5.434 -14.933 1.00 0.00 ATOM 67 CA SER 67 5.305 -6.921 -14.474 1.00 0.00 ATOM 68 CA PHE 68 8.708 -7.550 -12.814 1.00 0.00 ATOM 69 CA THR 69 12.270 -8.766 -13.363 1.00 0.00 ATOM 70 CA LYS 70 14.355 -5.552 -13.300 1.00 0.00 ATOM 71 CA PHE 71 13.894 -1.854 -12.501 1.00 0.00 ATOM 72 CA ASN 72 14.088 1.803 -11.582 1.00 0.00 ATOM 73 CA LYS 73 13.546 4.905 -9.361 1.00 0.00 ATOM 74 CA ASN 74 12.839 3.295 -5.959 1.00 0.00 ATOM 75 CA ILE 75 9.158 4.319 -6.211 1.00 0.00 ATOM 76 CA ILE 76 8.957 2.821 -9.730 1.00 0.00 ATOM 77 CA SER 77 10.522 -0.436 -8.460 1.00 0.00 ATOM 78 CA SER 78 7.993 -0.559 -5.587 1.00 0.00 ATOM 79 CA THR 79 5.120 -0.013 -8.060 1.00 0.00 ATOM 80 CA ALA 80 6.461 -2.831 -10.279 1.00 0.00 ATOM 81 CA LEU 81 6.682 -5.152 -7.240 1.00 0.00 ATOM 82 CA PHE 82 3.079 -4.279 -6.281 1.00 0.00 ATOM 83 CA LEU 83 1.923 -5.015 -9.857 1.00 0.00 ATOM 84 CA ALA 84 3.742 -8.384 -9.779 1.00 0.00 ATOM 85 CA ALA 85 2.080 -9.231 -6.434 1.00 0.00 ATOM 86 CA LYS 86 -1.348 -8.320 -7.878 1.00 0.00 ATOM 87 CA VAL 87 -0.682 -10.542 -10.926 1.00 0.00 ATOM 88 CA GLU 88 0.329 -13.434 -8.627 1.00 0.00 ATOM 89 CA GLU 89 -1.452 -16.638 -9.620 1.00 0.00 ATOM 90 CA GLN 90 -4.207 -14.411 -11.016 1.00 0.00 ATOM 91 CA ALA 91 -7.626 -15.166 -9.405 1.00 0.00 ATOM 92 CA ARG 92 -8.836 -12.639 -11.989 1.00 0.00 ATOM 93 CA LYS 93 -7.105 -9.896 -10.035 1.00 0.00 ATOM 94 CA LEU 94 -5.782 -6.410 -9.356 1.00 0.00 ATOM 95 CA GLU 95 -6.578 -5.230 -5.800 1.00 0.00 ATOM 96 CA HIS 96 -2.924 -5.760 -4.781 1.00 0.00 ATOM 97 CA VAL 97 -1.757 -3.761 -7.832 1.00 0.00 ATOM 98 CA ILE 98 -4.176 -0.930 -6.934 1.00 0.00 ATOM 99 CA LYS 99 -2.862 -0.917 -3.336 1.00 0.00 ATOM 100 CA VAL 100 0.740 -0.757 -4.626 1.00 0.00 ATOM 101 CA ALA 101 -0.184 2.169 -6.918 1.00 0.00 ATOM 102 CA HIS 102 -1.825 3.988 -3.974 1.00 0.00 ATOM 103 CA ALA 103 1.310 3.425 -1.847 1.00 0.00 ATOM 104 CA CYS 104 3.503 4.796 -4.671 1.00 0.00 ATOM 105 CA LEU 105 5.945 7.693 -4.808 1.00 0.00 ATOM 106 CA HIS 106 8.969 9.955 -4.615 1.00 0.00 ATOM 107 CA PRO 107 11.720 12.587 -4.838 1.00 0.00 ATOM 108 CA LEU 108 14.939 14.414 -4.091 1.00 0.00 ATOM 109 CA GLU 109 18.457 15.013 -2.638 1.00 0.00 ATOM 110 CA PRO 110 19.526 12.037 -0.549 1.00 0.00 ATOM 111 CA LEU 111 22.094 9.299 0.269 1.00 0.00 ATOM 112 CA LEU 112 22.409 5.840 -1.345 1.00 0.00 ATOM 113 CA ASP 113 21.723 4.174 2.035 1.00 0.00 ATOM 114 CA THR 114 18.636 6.387 2.527 1.00 0.00 ATOM 115 CA LYS 115 17.383 5.460 -0.972 1.00 0.00 ATOM 116 CA CYS 116 17.894 1.744 -0.197 1.00 0.00 ATOM 117 CA ASP 117 15.959 2.137 3.085 1.00 0.00 ATOM 118 CA ALA 118 13.109 3.892 1.222 1.00 0.00 ATOM 119 CA TYR 119 13.024 1.065 -1.360 1.00 0.00 ATOM 120 CA LEU 120 12.892 -1.533 1.451 1.00 0.00 ATOM 121 CA GLN 121 10.013 0.372 3.109 1.00 0.00 ATOM 122 CA GLN 122 8.133 0.483 -0.226 1.00 0.00 ATOM 123 CA THR 123 8.655 -3.285 -0.673 1.00 0.00 ATOM 124 CA ARG 124 7.342 -3.912 2.869 1.00 0.00 ATOM 125 CA GLU 125 4.266 -1.751 2.139 1.00 0.00 ATOM 126 CA LEU 126 3.636 -3.699 -1.098 1.00 0.00 ATOM 127 CA VAL 127 3.920 -7.008 0.809 1.00 0.00 ATOM 128 CA ILE 128 1.441 -5.736 3.435 1.00 0.00 ATOM 129 CA LEU 129 -0.993 -4.693 0.668 1.00 0.00 ATOM 130 CA GLU 130 -0.679 -8.152 -0.945 1.00 0.00 ATOM 131 CA THR 131 -1.365 -9.818 2.434 1.00 0.00 ATOM 132 CA ILE 132 -4.452 -7.606 2.926 1.00 0.00 ATOM 133 CA MET 133 -5.705 -8.533 -0.572 1.00 0.00 ATOM 134 CA LEU 134 -5.193 -12.248 0.203 1.00 0.00 ATOM 135 CA GLN 135 -7.129 -11.855 3.484 1.00 0.00 ATOM 136 CA THR 136 -9.979 -10.101 1.622 1.00 0.00 ATOM 137 CA LEU 137 -10.064 -12.928 -0.961 1.00 0.00 ATOM 138 CA GLY 138 -13.178 -11.563 -2.756 1.00 0.00 ATOM 139 CA PHE 139 -12.489 -7.940 -3.543 1.00 0.00 ATOM 140 CA GLU 140 -15.111 -5.146 -3.563 1.00 0.00 ATOM 141 CA ILE 141 -12.363 -2.658 -2.873 1.00 0.00 ATOM 142 CA THR 142 -13.929 0.776 -3.183 1.00 0.00 ATOM 143 CA ILE 143 -10.731 1.988 -1.480 1.00 0.00 ATOM 144 CA GLU 144 -11.213 5.743 -0.856 1.00 0.00 ATOM 145 CA HIS 145 -7.911 5.907 1.077 1.00 0.00 ATOM 146 CA PRO 146 -5.360 3.336 2.251 1.00 0.00 ATOM 147 CA HIS 147 -2.233 5.236 3.346 1.00 0.00 ATOM 148 CA THR 148 -0.699 8.744 3.234 1.00 0.00 ATOM 149 CA ASP 149 -1.261 9.137 7.002 1.00 0.00 ATOM 150 CA VAL 150 0.403 5.744 7.628 1.00 0.00 ATOM 151 CA VAL 151 3.388 6.781 5.465 1.00 0.00 ATOM 152 CA LYS 152 3.690 10.065 7.413 1.00 0.00 ATOM 153 CA CYS 153 3.602 8.140 10.722 1.00 0.00 ATOM 154 CA THR 154 6.333 5.776 9.448 1.00 0.00 ATOM 155 CA GLN 155 8.475 8.775 8.404 1.00 0.00 ATOM 156 CA LEU 156 8.002 10.348 11.863 1.00 0.00 ATOM 157 CA VAL 157 8.988 7.036 13.584 1.00 0.00 ATOM 158 CA ARG 158 11.618 4.328 12.997 1.00 0.00 ATOM 159 CA ALA 159 9.918 1.318 11.366 1.00 0.00 ATOM 160 CA SER 160 10.625 -1.887 13.288 1.00 0.00 ATOM 161 CA LYS 161 7.362 -3.663 12.474 1.00 0.00 ATOM 162 CA ASP 162 5.184 -0.598 13.202 1.00 0.00 ATOM 163 CA LEU 163 5.116 0.270 9.472 1.00 0.00 ATOM 164 CA ALA 164 4.100 -3.325 8.629 1.00 0.00 ATOM 165 CA GLN 165 1.302 -3.173 11.241 1.00 0.00 ATOM 166 CA THR 166 0.072 0.140 9.766 1.00 0.00 ATOM 167 CA SER 167 0.079 -1.391 6.256 1.00 0.00 ATOM 168 CA TYR 168 -1.911 -4.401 7.539 1.00 0.00 ATOM 169 CA PHE 169 -4.444 -2.053 9.192 1.00 0.00 ATOM 170 CA MET 170 -4.792 -0.087 5.924 1.00 0.00 ATOM 171 CA ALA 171 -5.356 -3.347 3.995 1.00 0.00 ATOM 172 CA THR 172 -8.030 -4.409 6.522 1.00 0.00 ATOM 173 CA ASN 173 -9.755 -1.009 6.163 1.00 0.00 ATOM 174 CA SER 174 -9.700 -1.356 2.349 1.00 0.00 ATOM 175 CA LEU 175 -11.212 -4.865 2.622 1.00 0.00 ATOM 176 CA HIS 176 -13.960 -3.528 4.930 1.00 0.00 ATOM 177 CA LEU 177 -12.769 -5.084 8.155 1.00 0.00 ATOM 178 CA THR 178 -12.553 -2.008 10.307 1.00 0.00 ATOM 179 CA THR 179 -16.196 -1.375 9.227 1.00 0.00 ATOM 180 CA PHE 180 -15.584 1.977 7.634 1.00 0.00 ATOM 181 CA CYS 181 -16.289 0.873 4.067 1.00 0.00 ATOM 182 CA LEU 182 -13.782 3.615 3.186 1.00 0.00 ATOM 183 CA GLN 183 -13.956 7.142 4.407 1.00 0.00 ATOM 184 CA TYR 184 -10.485 7.924 5.681 1.00 0.00 ATOM 185 CA LYS 185 -11.161 5.432 8.444 1.00 0.00 ATOM 186 CA PRO 186 -8.115 3.421 7.266 1.00 0.00 ATOM 187 CA THR 187 -5.405 6.100 7.643 1.00 0.00 ATOM 188 CA VAL 188 -6.416 6.643 11.297 1.00 0.00 ATOM 189 CA ILE 189 -6.248 2.869 11.930 1.00 0.00 ATOM 190 CA ALA 190 -2.769 2.732 10.335 1.00 0.00 ATOM 191 CA CYS 191 -1.618 5.648 12.535 1.00 0.00 ATOM 192 CA VAL 192 -2.970 3.867 15.644 1.00 0.00 ATOM 193 CA CYS 193 -1.125 0.664 14.643 1.00 0.00 ATOM 194 CA ILE 194 2.113 2.652 14.160 1.00 0.00 ATOM 195 CA HIS 195 1.670 4.259 17.608 1.00 0.00 ATOM 196 CA LEU 196 1.113 0.808 19.172 1.00 0.00 ATOM 197 CA ALA 197 4.277 -0.506 17.460 1.00 0.00 ATOM 198 CA CYS 198 6.262 2.496 18.769 1.00 0.00 ATOM 199 CA LYS 199 4.936 1.862 22.305 1.00 0.00 ATOM 200 CA TRP 200 5.938 -1.826 22.046 1.00 0.00 ATOM 201 CA SER 201 9.443 -0.816 20.879 1.00 0.00 ATOM 202 CA ASN 202 10.384 2.721 21.869 1.00 0.00 ATOM 203 CA TRP 203 9.869 6.149 20.303 1.00 0.00 ATOM 204 CA GLU 204 7.386 7.171 22.920 1.00 0.00 ATOM 205 CA ILE 205 4.337 8.338 21.063 1.00 0.00 ATOM 206 CA PRO 206 4.069 10.915 23.845 1.00 0.00 ATOM 207 CA VAL 207 5.592 14.130 22.506 1.00 0.00 ATOM 208 CA SER 208 7.296 16.674 20.231 1.00 0.00 ATOM 209 CA THR 209 8.960 18.301 17.294 1.00 0.00 ATOM 210 CA ASP 210 6.177 20.872 17.097 1.00 0.00 ATOM 211 CA GLY 211 3.051 19.136 15.693 1.00 0.00 ATOM 212 CA LYS 212 0.877 22.284 16.097 1.00 0.00 ATOM 213 CA HIS 213 -2.126 20.679 17.790 1.00 0.00 ATOM 214 CA TRP 214 -1.899 17.070 16.623 1.00 0.00 ATOM 215 CA TRP 215 -2.555 18.692 13.217 1.00 0.00 ATOM 216 CA GLU 216 -6.123 17.302 13.214 1.00 0.00 ATOM 217 CA TYR 217 -6.689 18.678 16.743 1.00 0.00 ATOM 218 CA VAL 218 -7.138 16.004 19.369 1.00 0.00 ATOM 219 CA ASP 219 -8.319 18.402 22.063 1.00 0.00 ATOM 220 CA PRO 220 -11.944 17.435 21.445 1.00 0.00 ATOM 221 CA THR 221 -11.799 14.455 23.783 1.00 0.00 ATOM 222 CA VAL 222 -9.421 11.760 24.998 1.00 0.00 ATOM 223 CA THR 223 -12.571 9.552 25.095 1.00 0.00 ATOM 224 CA LEU 224 -11.475 8.784 21.536 1.00 0.00 ATOM 225 CA GLU 225 -14.276 6.183 21.298 1.00 0.00 ATOM 226 CA LEU 226 -13.506 5.657 17.584 1.00 0.00 ATOM 227 CA LEU 227 -9.790 5.203 18.393 1.00 0.00 ATOM 228 CA ASP 228 -10.668 2.649 21.108 1.00 0.00 ATOM 229 CA GLU 229 -12.896 0.752 18.637 1.00 0.00 ATOM 230 CA LEU 230 -10.062 0.728 16.061 1.00 0.00 ATOM 231 CA THR 231 -7.635 -0.605 18.708 1.00 0.00 ATOM 232 CA HIS 232 -10.130 -3.355 19.646 1.00 0.00 ATOM 233 CA GLU 233 -10.508 -4.305 15.955 1.00 0.00 ATOM 234 CA PHE 234 -6.700 -4.462 15.580 1.00 0.00 ATOM 235 CA LEU 235 -6.462 -6.695 18.682 1.00 0.00 ATOM 236 CA GLN 236 -9.170 -9.000 17.261 1.00 0.00 ATOM 237 CA ILE 237 -7.285 -9.204 13.933 1.00 0.00 ATOM 238 CA LEU 238 -4.049 -10.066 15.792 1.00 0.00 ATOM 239 CA GLU 239 -5.876 -12.800 17.755 1.00 0.00 ATOM 240 CA LYS 240 -7.295 -14.226 14.496 1.00 0.00 ATOM 241 CA THR 241 -9.077 -17.596 14.350 1.00 0.00 ATOM 242 CA PRO 242 -5.628 -18.947 15.126 1.00 0.00 ATOM 243 CA ASN 243 -5.016 -20.180 11.553 1.00 0.00 ATOM 244 CA ARG 244 -4.206 -16.608 10.433 1.00 0.00 ATOM 245 CA LEU 245 -1.759 -16.221 13.354 1.00 0.00 ATOM 246 CA LYS 246 -0.079 -19.533 12.417 1.00 0.00 ATOM 247 CA LYS 247 0.231 -18.375 8.779 1.00 0.00 ATOM 248 CA ILE 248 1.783 -15.072 9.938 1.00 0.00 ATOM 249 CA ARG 249 4.274 -16.983 12.131 1.00 0.00 ATOM 250 CA ASN 250 5.197 -19.229 9.169 1.00 0.00 ATOM 251 CA TRP 251 5.725 -16.143 6.962 1.00 0.00 ATOM 252 CA ARG 252 7.960 -14.575 9.648 1.00 0.00 ATOM 253 CA ALA 253 9.995 -17.811 9.880 1.00 0.00 ATOM 254 CA ASN 254 11.360 -19.414 6.680 1.00 0.00 ATOM 255 CA GLN 255 9.934 -16.843 4.266 1.00 0.00 ATOM 256 CA ALA 256 9.120 -13.128 4.852 1.00 0.00 ENDMDL