EXPDTA T0348TS137_3-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called T0348TS137_3-scwrl ATOM 1 N MET A 1 12.199 6.104 -14.322 1.00 0.00 ATOM 2 CA MET A 1 11.672 6.311 -12.956 1.00 0.00 ATOM 3 CB MET A 1 10.584 7.387 -12.959 1.00 0.00 ATOM 4 CG MET A 1 11.097 8.787 -13.256 1.00 0.00 ATOM 5 SD MET A 1 9.776 10.013 -13.315 1.00 0.00 ATOM 6 CE MET A 1 9.422 10.214 -11.571 1.00 0.00 ATOM 7 O MET A 1 10.607 4.210 -13.220 1.00 0.00 ATOM 8 C MET A 1 11.090 5.037 -12.448 1.00 0.00 ATOM 9 N ASP A 2 11.148 4.830 -11.121 1.00 0.00 ATOM 10 CA ASP A 2 10.561 3.640 -10.592 1.00 0.00 ATOM 11 CB ASP A 2 11.058 3.385 -9.168 1.00 0.00 ATOM 12 CG ASP A 2 12.507 2.940 -9.127 1.00 0.00 ATOM 13 OD1 ASP A 2 13.056 2.605 -10.198 1.00 0.00 ATOM 14 OD2 ASP A 2 13.093 2.926 -8.024 1.00 0.00 ATOM 15 O ASP A 2 8.633 5.011 -10.531 1.00 0.00 ATOM 16 C ASP A 2 9.088 3.872 -10.605 1.00 0.00 ATOM 17 N ALA A 3 8.301 2.789 -10.735 1.00 0.00 ATOM 18 CA ALA A 3 6.876 2.931 -10.741 1.00 0.00 ATOM 19 CB ALA A 3 6.225 1.719 -11.391 1.00 0.00 ATOM 20 O ALA A 3 7.183 2.705 -8.406 1.00 0.00 ATOM 21 C ALA A 3 6.439 3.049 -9.323 1.00 0.00 ATOM 22 N LYS A 4 5.217 3.565 -9.103 1.00 0.00 ATOM 23 CA LYS A 4 4.753 3.682 -7.757 1.00 0.00 ATOM 24 CB LYS A 4 3.603 4.687 -7.672 1.00 0.00 ATOM 25 CG LYS A 4 3.088 4.924 -6.262 1.00 0.00 ATOM 26 CD LYS A 4 2.017 6.002 -6.239 1.00 0.00 ATOM 27 CE LYS A 4 1.538 6.275 -4.822 1.00 0.00 ATOM 28 NZ LYS A 4 0.507 7.348 -4.781 1.00 0.00 ATOM 29 O LYS A 4 3.173 1.912 -7.664 1.00 0.00 ATOM 30 C LYS A 4 4.291 2.323 -7.353 1.00 0.00 ATOM 31 N PHE A 5 5.156 1.575 -6.646 1.00 0.00 ATOM 32 CA PHE A 5 4.745 0.275 -6.224 1.00 0.00 ATOM 33 CB PHE A 5 5.959 -0.639 -6.045 1.00 0.00 ATOM 34 CG PHE A 5 6.639 -1.003 -7.333 1.00 0.00 ATOM 35 CD1 PHE A 5 7.745 -0.297 -7.773 1.00 0.00 ATOM 36 CD2 PHE A 5 6.172 -2.052 -8.106 1.00 0.00 ATOM 37 CE1 PHE A 5 8.371 -0.633 -8.958 1.00 0.00 ATOM 38 CE2 PHE A 5 6.798 -2.388 -9.292 1.00 0.00 ATOM 39 CZ PHE A 5 7.893 -1.683 -9.719 1.00 0.00 ATOM 40 O PHE A 5 4.537 1.057 -3.993 1.00 0.00 ATOM 41 C PHE A 5 4.030 0.438 -4.926 1.00 0.00 ATOM 42 N LEU A 6 2.803 -0.109 -4.851 1.00 0.00 ATOM 43 CA LEU A 6 2.028 0.046 -3.659 1.00 0.00 ATOM 44 CB LEU A 6 0.648 -0.591 -3.831 1.00 0.00 ATOM 45 CG LEU A 6 -0.289 -0.516 -2.623 1.00 0.00 ATOM 46 CD1 LEU A 6 -0.595 0.931 -2.270 1.00 0.00 ATOM 47 CD2 LEU A 6 -1.603 -1.222 -2.917 1.00 0.00 ATOM 48 O LEU A 6 3.071 -0.036 -1.525 1.00 0.00 ATOM 49 C LEU A 6 2.767 -0.628 -2.558 1.00 0.00 ATOM 50 N GLU A 7 3.113 -1.903 -2.775 1.00 0.00 ATOM 51 CA GLU A 7 3.847 -2.613 -1.782 1.00 0.00 ATOM 52 CB GLU A 7 2.895 -3.307 -0.806 1.00 0.00 ATOM 53 CG GLU A 7 2.000 -4.353 -1.450 1.00 0.00 ATOM 54 CD GLU A 7 1.039 -4.986 -0.462 1.00 0.00 ATOM 55 OE1 GLU A 7 1.098 -4.630 0.734 1.00 0.00 ATOM 56 OE2 GLU A 7 0.229 -5.837 -0.884 1.00 0.00 ATOM 57 O GLU A 7 4.426 -3.847 -3.710 1.00 0.00 ATOM 58 C GLU A 7 4.657 -3.601 -2.527 1.00 0.00 ATOM 59 N ILE A 8 5.651 -4.192 -1.855 1.00 0.00 ATOM 60 CA ILE A 8 6.426 -5.159 -2.552 1.00 0.00 ATOM 61 CB ILE A 8 7.902 -5.120 -2.116 1.00 0.00 ATOM 62 CG1 ILE A 8 8.481 -3.718 -2.315 1.00 0.00 ATOM 63 CG2 ILE A 8 8.726 -6.102 -2.935 1.00 0.00 ATOM 64 CD1 ILE A 8 8.433 -3.235 -3.748 1.00 0.00 ATOM 65 O ILE A 8 5.500 -6.739 -1.061 1.00 0.00 ATOM 66 C ILE A 8 5.821 -6.466 -2.217 1.00 0.00 ATOM 67 N LEU A 9 5.631 -7.295 -3.255 1.00 0.00 ATOM 68 CA LEU A 9 5.067 -8.582 -3.032 1.00 0.00 ATOM 69 CB LEU A 9 4.973 -9.361 -4.346 1.00 0.00 ATOM 70 CG LEU A 9 4.011 -8.804 -5.397 1.00 0.00 ATOM 71 CD1 LEU A 9 4.113 -9.594 -6.692 1.00 0.00 ATOM 72 CD2 LEU A 9 2.573 -8.881 -4.904 1.00 0.00 ATOM 73 O LEU A 9 7.182 -8.843 -2.023 1.00 0.00 ATOM 74 C LEU A 9 6.011 -9.215 -2.080 1.00 0.00 ATOM 75 N VAL A 10 5.514 -10.178 -1.287 1.00 0.00 ATOM 76 CA VAL A 10 6.289 -10.843 -0.280 1.00 0.00 ATOM 77 CB VAL A 10 5.541 -12.060 0.295 1.00 0.00 ATOM 78 CG1 VAL A 10 4.256 -11.621 0.981 1.00 0.00 ATOM 79 CG2 VAL A 10 5.185 -13.039 -0.813 1.00 0.00 ATOM 80 O VAL A 10 7.701 -11.342 -2.125 1.00 0.00 ATOM 81 C VAL A 10 7.572 -11.305 -0.905 1.00 0.00 ATOM 82 N CYS A 11 8.594 -11.602 -0.078 1.00 0.00 ATOM 83 CA CYS A 11 9.857 -12.013 -0.614 1.00 0.00 ATOM 84 CB CYS A 11 10.821 -12.387 0.513 1.00 0.00 ATOM 85 SG CYS A 11 11.386 -10.987 1.508 1.00 0.00 ATOM 86 O CYS A 11 8.891 -14.127 -1.114 1.00 0.00 ATOM 87 C CYS A 11 9.607 -13.199 -1.487 1.00 0.00 ATOM 88 N PRO A 12 10.152 -13.177 -2.669 1.00 0.00 ATOM 89 CA PRO A 12 9.932 -14.279 -3.552 1.00 0.00 ATOM 90 CB PRO A 12 10.662 -13.877 -4.835 1.00 0.00 ATOM 91 CG PRO A 12 10.636 -12.385 -4.828 1.00 0.00 ATOM 92 CD PRO A 12 10.829 -11.972 -3.396 1.00 0.00 ATOM 93 O PRO A 12 9.886 -16.591 -3.150 1.00 0.00 ATOM 94 C PRO A 12 10.488 -15.533 -2.973 1.00 0.00 ATOM 95 N LEU A 13 11.646 -15.441 -2.296 1.00 0.00 ATOM 96 CA LEU A 13 12.223 -16.600 -1.691 1.00 0.00 ATOM 97 CB LEU A 13 13.634 -16.294 -1.186 1.00 0.00 ATOM 98 CG LEU A 13 14.699 -16.046 -2.256 1.00 0.00 ATOM 99 CD1 LEU A 13 16.001 -15.580 -1.622 1.00 0.00 ATOM 100 CD2 LEU A 13 14.980 -17.318 -3.040 1.00 0.00 ATOM 101 O LEU A 13 11.112 -18.195 -0.332 1.00 0.00 ATOM 102 C LEU A 13 11.361 -17.010 -0.545 1.00 0.00 ATOM 103 N CYS A 14 10.866 -16.030 0.232 1.00 0.00 ATOM 104 CA CYS A 14 10.083 -16.403 1.369 1.00 0.00 ATOM 105 CB CYS A 14 10.745 -15.915 2.659 1.00 0.00 ATOM 106 SG CYS A 14 9.862 -16.368 4.170 1.00 0.00 ATOM 107 O CYS A 14 8.570 -14.577 1.358 1.00 0.00 ATOM 108 C CYS A 14 8.729 -15.790 1.253 1.00 0.00 ATOM 109 N LYS A 15 7.701 -16.638 1.069 1.00 0.00 ATOM 110 CA LYS A 15 6.366 -16.137 0.976 1.00 0.00 ATOM 111 CB LYS A 15 5.443 -17.184 0.348 1.00 0.00 ATOM 112 CG LYS A 15 5.778 -17.519 -1.096 1.00 0.00 ATOM 113 CD LYS A 15 4.789 -18.519 -1.674 1.00 0.00 ATOM 114 CE LYS A 15 5.133 -18.868 -3.113 1.00 0.00 ATOM 115 NZ LYS A 15 4.159 -19.828 -3.700 1.00 0.00 ATOM 116 O LYS A 15 6.730 -16.069 3.311 1.00 0.00 ATOM 117 C LYS A 15 5.962 -15.838 2.379 1.00 0.00 ATOM 118 N GLY A 16 4.752 -15.296 2.585 1.00 0.00 ATOM 119 CA GLY A 16 4.399 -14.978 3.933 1.00 0.00 ATOM 120 O GLY A 16 4.631 -12.637 3.564 1.00 0.00 ATOM 121 C GLY A 16 4.927 -13.611 4.253 1.00 0.00 ATOM 122 N PRO A 17 5.666 -13.527 5.322 1.00 0.00 ATOM 123 CA PRO A 17 6.124 -12.237 5.787 1.00 0.00 ATOM 124 CB PRO A 17 6.556 -12.496 7.232 1.00 0.00 ATOM 125 CG PRO A 17 7.025 -13.913 7.233 1.00 0.00 ATOM 126 CD PRO A 17 6.114 -14.654 6.296 1.00 0.00 ATOM 127 O PRO A 17 8.038 -12.191 4.383 1.00 0.00 ATOM 128 C PRO A 17 7.267 -11.547 5.094 1.00 0.00 ATOM 129 N LEU A 18 7.318 -10.202 5.276 1.00 0.00 ATOM 130 CA LEU A 18 8.360 -9.269 4.935 1.00 0.00 ATOM 131 CB LEU A 18 8.190 -8.778 3.496 1.00 0.00 ATOM 132 CG LEU A 18 9.385 -8.044 2.884 1.00 0.00 ATOM 133 CD1 LEU A 18 9.189 -7.852 1.388 1.00 0.00 ATOM 134 CD2 LEU A 18 9.557 -6.674 3.522 1.00 0.00 ATOM 135 O LEU A 18 7.121 -7.523 5.951 1.00 0.00 ATOM 136 C LEU A 18 8.166 -8.170 5.935 1.00 0.00 ATOM 137 N VAL A 19 9.174 -7.912 6.786 1.00 0.00 ATOM 138 CA VAL A 19 8.985 -7.004 7.882 1.00 0.00 ATOM 139 CB VAL A 19 10.078 -7.177 8.953 1.00 0.00 ATOM 140 CG1 VAL A 19 9.927 -6.127 10.043 1.00 0.00 ATOM 141 CG2 VAL A 19 9.981 -8.553 9.595 1.00 0.00 ATOM 142 O VAL A 19 9.756 -5.193 6.536 1.00 0.00 ATOM 143 C VAL A 19 9.024 -5.577 7.448 1.00 0.00 ATOM 144 N PHE A 20 8.178 -4.766 8.113 1.00 0.00 ATOM 145 CA PHE A 20 8.135 -3.344 7.955 1.00 0.00 ATOM 146 CB PHE A 20 6.770 -2.905 7.421 1.00 0.00 ATOM 147 CG PHE A 20 6.630 -1.418 7.265 1.00 0.00 ATOM 148 CD1 PHE A 20 7.241 -0.757 6.214 1.00 0.00 ATOM 149 CD2 PHE A 20 5.886 -0.680 8.170 1.00 0.00 ATOM 150 CE1 PHE A 20 7.112 0.612 6.071 1.00 0.00 ATOM 151 CE2 PHE A 20 5.757 0.689 8.026 1.00 0.00 ATOM 152 CZ PHE A 20 6.366 1.335 6.982 1.00 0.00 ATOM 153 O PHE A 20 7.780 -3.387 10.291 1.00 0.00 ATOM 154 C PHE A 20 8.389 -2.877 9.353 1.00 0.00 ATOM 155 N ASP A 21 9.306 -1.916 9.558 1.00 0.00 ATOM 156 CA ASP A 21 9.555 -1.534 10.919 1.00 0.00 ATOM 157 CB ASP A 21 10.993 -1.038 11.082 1.00 0.00 ATOM 158 CG ASP A 21 11.494 -1.160 12.508 1.00 0.00 ATOM 159 OD1 ASP A 21 10.687 -1.517 13.392 1.00 0.00 ATOM 160 OD2 ASP A 21 12.693 -0.899 12.741 1.00 0.00 ATOM 161 O ASP A 21 7.719 -0.092 10.481 1.00 0.00 ATOM 162 C ASP A 21 8.597 -0.438 11.266 1.00 0.00 ATOM 163 N LYS A 22 8.721 0.118 12.481 1.00 0.00 ATOM 164 CA LYS A 22 7.845 1.154 12.932 1.00 0.00 ATOM 165 CB LYS A 22 8.211 1.584 14.354 1.00 0.00 ATOM 166 CG LYS A 22 7.303 2.657 14.931 1.00 0.00 ATOM 167 CD LYS A 22 7.678 2.985 16.367 1.00 0.00 ATOM 168 CE LYS A 22 6.802 4.093 16.928 1.00 0.00 ATOM 169 NZ LYS A 22 7.174 4.441 18.327 1.00 0.00 ATOM 170 O LYS A 22 7.009 2.815 11.459 1.00 0.00 ATOM 171 C LYS A 22 7.993 2.310 11.997 1.00 0.00 ATOM 172 N SER A 23 9.246 2.745 11.766 1.00 0.00 ATOM 173 CA SER A 23 9.465 3.835 10.870 1.00 0.00 ATOM 174 CB SER A 23 8.827 5.114 11.416 1.00 0.00 ATOM 175 OG SER A 23 9.137 6.228 10.597 1.00 0.00 ATOM 176 O SER A 23 11.705 3.658 11.630 1.00 0.00 ATOM 177 C SER A 23 10.938 4.018 10.738 1.00 0.00 ATOM 178 N LYS A 24 11.364 4.595 9.600 1.00 0.00 ATOM 179 CA LYS A 24 12.748 4.873 9.361 1.00 0.00 ATOM 180 CB LYS A 24 13.294 5.828 10.425 1.00 0.00 ATOM 181 CG LYS A 24 12.644 7.202 10.418 1.00 0.00 ATOM 182 CD LYS A 24 13.240 8.099 11.490 1.00 0.00 ATOM 183 CE LYS A 24 12.508 9.430 11.565 1.00 0.00 ATOM 184 NZ LYS A 24 13.048 10.300 12.646 1.00 0.00 ATOM 185 O LYS A 24 14.737 3.619 9.633 1.00 0.00 ATOM 186 C LYS A 24 13.529 3.601 9.406 1.00 0.00 ATOM 187 N ASP A 25 12.866 2.453 9.183 1.00 0.00 ATOM 188 CA ASP A 25 13.613 1.236 9.130 1.00 0.00 ATOM 189 CB ASP A 25 13.348 0.390 10.377 1.00 0.00 ATOM 190 CG ASP A 25 14.253 -0.824 10.461 1.00 0.00 ATOM 191 OD1 ASP A 25 14.214 -1.659 9.532 1.00 0.00 ATOM 192 OD2 ASP A 25 15.001 -0.940 11.454 1.00 0.00 ATOM 193 O ASP A 25 11.961 0.377 7.639 1.00 0.00 ATOM 194 C ASP A 25 13.151 0.528 7.903 1.00 0.00 ATOM 195 N GLU A 26 14.103 0.048 7.106 1.00 0.00 ATOM 196 CA GLU A 26 13.742 -0.505 5.842 1.00 0.00 ATOM 197 CB GLU A 26 14.992 -0.807 5.013 1.00 0.00 ATOM 198 CG GLU A 26 15.827 0.418 4.679 1.00 0.00 ATOM 199 CD GLU A 26 17.083 0.074 3.903 1.00 0.00 ATOM 200 OE1 GLU A 26 17.326 -1.129 3.670 1.00 0.00 ATOM 201 OE2 GLU A 26 17.825 1.006 3.529 1.00 0.00 ATOM 202 O GLU A 26 12.733 -2.210 7.154 1.00 0.00 ATOM 203 C GLU A 26 12.982 -1.770 6.030 1.00 0.00 ATOM 204 N LEU A 27 12.524 -2.329 4.890 1.00 0.00 ATOM 205 CA LEU A 27 11.777 -3.547 4.868 1.00 0.00 ATOM 206 CB LEU A 27 10.771 -3.538 3.715 1.00 0.00 ATOM 207 CG LEU A 27 9.710 -2.436 3.750 1.00 0.00 ATOM 208 CD1 LEU A 27 8.851 -2.477 2.496 1.00 0.00 ATOM 209 CD2 LEU A 27 8.799 -2.604 4.957 1.00 0.00 ATOM 210 O LEU A 27 13.414 -4.766 3.658 1.00 0.00 ATOM 211 C LEU A 27 12.750 -4.658 4.688 1.00 0.00 ATOM 212 N ILE A 28 12.841 -5.528 5.705 1.00 0.00 ATOM 213 CA ILE A 28 13.728 -6.644 5.640 1.00 0.00 ATOM 214 CB ILE A 28 14.800 -6.578 6.743 1.00 0.00 ATOM 215 CG1 ILE A 28 14.144 -6.587 8.126 1.00 0.00 ATOM 216 CG2 ILE A 28 15.625 -5.307 6.609 1.00 0.00 ATOM 217 CD1 ILE A 28 15.127 -6.729 9.267 1.00 0.00 ATOM 218 O ILE A 28 11.752 -7.761 6.317 1.00 0.00 ATOM 219 C ILE A 28 12.874 -7.852 5.819 1.00 0.00 ATOM 220 N CYS A 29 13.372 -9.016 5.366 1.00 0.00 ATOM 221 CA CYS A 29 12.601 -10.218 5.484 1.00 0.00 ATOM 222 CB CYS A 29 12.871 -11.147 4.298 1.00 0.00 ATOM 223 SG CYS A 29 12.355 -10.484 2.698 1.00 0.00 ATOM 224 O CYS A 29 14.183 -10.874 7.128 1.00 0.00 ATOM 225 C CYS A 29 13.010 -10.883 6.763 1.00 0.00 ATOM 226 N LYS A 30 12.032 -11.422 7.519 1.00 0.00 ATOM 227 CA LYS A 30 12.351 -12.070 8.759 1.00 0.00 ATOM 228 CB LYS A 30 11.073 -12.445 9.512 1.00 0.00 ATOM 229 CG LYS A 30 11.317 -13.095 10.864 1.00 0.00 ATOM 230 CD LYS A 30 10.010 -13.363 11.592 1.00 0.00 ATOM 231 CE LYS A 30 10.252 -14.044 12.929 1.00 0.00 ATOM 232 NZ LYS A 30 8.977 -14.362 13.630 1.00 0.00 ATOM 233 O LYS A 30 14.209 -13.491 9.104 1.00 0.00 ATOM 234 C LYS A 30 13.136 -13.319 8.529 1.00 0.00 ATOM 235 N GLY A 31 12.620 -14.228 7.680 1.00 0.00 ATOM 236 CA GLY A 31 13.302 -15.478 7.509 1.00 0.00 ATOM 237 O GLY A 31 15.651 -15.721 7.240 1.00 0.00 ATOM 238 C GLY A 31 14.595 -15.278 6.793 1.00 0.00 ATOM 239 N ASP A 32 14.525 -14.578 5.651 1.00 0.00 ATOM 240 CA ASP A 32 15.650 -14.345 4.798 1.00 0.00 ATOM 241 CB ASP A 32 15.199 -13.728 3.472 1.00 0.00 ATOM 242 CG ASP A 32 14.499 -14.728 2.573 1.00 0.00 ATOM 243 OD1 ASP A 32 14.576 -15.941 2.860 1.00 0.00 ATOM 244 OD2 ASP A 32 13.873 -14.299 1.581 1.00 0.00 ATOM 245 O ASP A 32 17.806 -13.506 5.298 1.00 0.00 ATOM 246 C ASP A 32 16.591 -13.411 5.475 1.00 0.00 ATOM 247 N ARG A 33 16.048 -12.503 6.305 1.00 0.00 ATOM 248 CA ARG A 33 16.858 -11.438 6.811 1.00 0.00 ATOM 249 CB ARG A 33 17.972 -11.989 7.704 1.00 0.00 ATOM 250 CG ARG A 33 17.472 -12.727 8.935 1.00 0.00 ATOM 251 CD ARG A 33 18.612 -13.048 9.887 1.00 0.00 ATOM 252 NE ARG A 33 18.214 -14.005 10.916 1.00 0.00 ATOM 253 CZ ARG A 33 18.976 -14.355 11.947 1.00 0.00 ATOM 254 NH1 ARG A 33 18.530 -15.234 12.834 1.00 0.00 ATOM 255 NH2 ARG A 33 20.184 -13.826 12.088 1.00 0.00 ATOM 256 O ARG A 33 18.593 -10.711 5.353 1.00 0.00 ATOM 257 C ARG A 33 17.387 -10.811 5.569 1.00 0.00 ATOM 258 N LEU A 34 16.436 -10.379 4.717 1.00 0.00 ATOM 259 CA LEU A 34 16.701 -9.906 3.395 1.00 0.00 ATOM 260 CB LEU A 34 15.438 -9.302 2.779 1.00 0.00 ATOM 261 CG LEU A 34 15.542 -8.855 1.319 1.00 0.00 ATOM 262 CD1 LEU A 34 15.787 -10.049 0.408 1.00 0.00 ATOM 263 CD2 LEU A 34 14.259 -8.172 0.873 1.00 0.00 ATOM 264 O LEU A 34 17.609 -7.831 4.113 1.00 0.00 ATOM 265 C LEU A 34 17.761 -8.866 3.463 1.00 0.00 ATOM 266 N ALA A 35 18.869 -9.170 2.756 1.00 0.00 ATOM 267 CA ALA A 35 20.038 -8.356 2.639 1.00 0.00 ATOM 268 CB ALA A 35 21.247 -9.079 3.212 1.00 0.00 ATOM 269 O ALA A 35 19.610 -8.850 0.379 1.00 0.00 ATOM 270 C ALA A 35 20.192 -8.117 1.177 1.00 0.00 ATOM 271 N PHE A 36 20.952 -7.057 0.822 1.00 0.00 ATOM 272 CA PHE A 36 21.120 -6.569 -0.520 1.00 0.00 ATOM 273 CB PHE A 36 20.754 -7.654 -1.535 1.00 0.00 ATOM 274 CG PHE A 36 21.688 -8.830 -1.527 1.00 0.00 ATOM 275 CD1 PHE A 36 21.367 -9.984 -0.833 1.00 0.00 ATOM 276 CD2 PHE A 36 22.889 -8.784 -2.214 1.00 0.00 ATOM 277 CE1 PHE A 36 22.226 -11.066 -0.826 1.00 0.00 ATOM 278 CE2 PHE A 36 23.748 -9.866 -2.208 1.00 0.00 ATOM 279 CZ PHE A 36 23.421 -11.004 -1.518 1.00 0.00 ATOM 280 O PHE A 36 19.975 -4.837 0.522 1.00 0.00 ATOM 281 C PHE A 36 20.180 -5.420 -0.542 1.00 0.00 ATOM 282 N PRO A 37 19.601 -5.001 -1.628 1.00 0.00 ATOM 283 CA PRO A 37 18.668 -3.943 -1.425 1.00 0.00 ATOM 284 CB PRO A 37 18.224 -3.564 -2.839 1.00 0.00 ATOM 285 CG PRO A 37 19.356 -3.993 -3.713 1.00 0.00 ATOM 286 CD PRO A 37 19.891 -5.261 -3.110 1.00 0.00 ATOM 287 O PRO A 37 16.812 -5.331 -0.979 1.00 0.00 ATOM 288 C PRO A 37 17.513 -4.396 -0.594 1.00 0.00 ATOM 289 N ILE A 38 17.302 -3.705 0.542 1.00 0.00 ATOM 290 CA ILE A 38 16.223 -3.924 1.445 1.00 0.00 ATOM 291 CB ILE A 38 16.697 -3.888 2.910 1.00 0.00 ATOM 292 CG1 ILE A 38 17.717 -4.999 3.167 1.00 0.00 ATOM 293 CG2 ILE A 38 15.521 -4.085 3.855 1.00 0.00 ATOM 294 CD1 ILE A 38 18.414 -4.890 4.506 1.00 0.00 ATOM 295 O ILE A 38 15.778 -1.660 0.957 1.00 0.00 ATOM 296 C ILE A 38 15.324 -2.792 1.111 1.00 0.00 ATOM 297 N LYS A 39 14.025 -3.069 0.949 1.00 0.00 ATOM 298 CA LYS A 39 13.187 -2.035 0.431 1.00 0.00 ATOM 299 CB LYS A 39 11.768 -2.559 0.203 1.00 0.00 ATOM 300 CG LYS A 39 11.678 -3.688 -0.811 1.00 0.00 ATOM 301 CD LYS A 39 12.027 -3.203 -2.209 1.00 0.00 ATOM 302 CE LYS A 39 11.838 -4.305 -3.238 1.00 0.00 ATOM 303 NZ LYS A 39 12.338 -3.901 -4.582 1.00 0.00 ATOM 304 O LYS A 39 13.397 -1.012 2.566 1.00 0.00 ATOM 305 C LYS A 39 13.111 -0.882 1.378 1.00 0.00 ATOM 306 N ASP A 40 12.725 0.292 0.829 1.00 0.00 ATOM 307 CA ASP A 40 12.551 1.526 1.544 1.00 0.00 ATOM 308 CB ASP A 40 11.390 1.412 2.534 1.00 0.00 ATOM 309 CG ASP A 40 10.932 2.762 3.052 1.00 0.00 ATOM 310 OD1 ASP A 40 11.325 3.789 2.461 1.00 0.00 ATOM 311 OD2 ASP A 40 10.181 2.791 4.050 1.00 0.00 ATOM 312 O ASP A 40 13.697 2.071 3.540 1.00 0.00 ATOM 313 C ASP A 40 13.765 1.912 2.323 1.00 0.00 ATOM 314 N GLY A 41 14.914 2.068 1.639 1.00 0.00 ATOM 315 CA GLY A 41 16.112 2.486 2.308 1.00 0.00 ATOM 316 O GLY A 41 16.358 4.162 3.974 1.00 0.00 ATOM 317 C GLY A 41 15.944 3.879 2.850 1.00 0.00 ATOM 318 N ILE A 42 15.330 4.797 2.073 1.00 0.00 ATOM 319 CA ILE A 42 15.223 6.154 2.540 1.00 0.00 ATOM 320 CB ILE A 42 16.032 7.121 1.655 1.00 0.00 ATOM 321 CG1 ILE A 42 15.523 7.077 0.213 1.00 0.00 ATOM 322 CG2 ILE A 42 17.505 6.740 1.659 1.00 0.00 ATOM 323 CD1 ILE A 42 16.135 8.132 -0.683 1.00 0.00 ATOM 324 O ILE A 42 12.973 5.991 1.789 1.00 0.00 ATOM 325 C ILE A 42 13.786 6.563 2.510 1.00 0.00 ATOM 326 N PRO A 43 13.457 7.510 3.351 1.00 0.00 ATOM 327 CA PRO A 43 12.113 8.015 3.379 1.00 0.00 ATOM 328 CB PRO A 43 12.024 8.756 4.714 1.00 0.00 ATOM 329 CG PRO A 43 13.422 9.199 4.990 1.00 0.00 ATOM 330 CD PRO A 43 14.316 8.130 4.429 1.00 0.00 ATOM 331 O PRO A 43 12.750 9.726 1.890 1.00 0.00 ATOM 332 C PRO A 43 11.875 8.928 2.224 1.00 0.00 ATOM 333 N MET A 44 10.683 8.865 1.613 1.00 0.00 ATOM 334 CA MET A 44 10.496 9.719 0.489 1.00 0.00 ATOM 335 CB MET A 44 9.851 8.951 -0.666 1.00 0.00 ATOM 336 CG MET A 44 9.602 9.791 -1.908 1.00 0.00 ATOM 337 SD MET A 44 8.892 8.837 -3.263 1.00 0.00 ATOM 338 CE MET A 44 10.276 7.786 -3.699 1.00 0.00 ATOM 339 O MET A 44 8.445 10.618 1.264 1.00 0.00 ATOM 340 C MET A 44 9.609 10.827 0.925 1.00 0.00 ATOM 341 N MET A 45 10.151 12.056 0.944 1.00 0.00 ATOM 342 CA MET A 45 9.291 13.138 1.294 1.00 0.00 ATOM 343 CB MET A 45 10.090 14.269 1.945 1.00 0.00 ATOM 344 CG MET A 45 10.778 13.875 3.242 1.00 0.00 ATOM 345 SD MET A 45 9.613 13.369 4.522 1.00 0.00 ATOM 346 CE MET A 45 8.817 14.931 4.892 1.00 0.00 ATOM 347 O MET A 45 9.372 13.754 -0.989 1.00 0.00 ATOM 348 C MET A 45 8.682 13.582 0.014 1.00 0.00 ATOM 349 N LEU A 46 7.352 13.756 0.008 1.00 0.00 ATOM 350 CA LEU A 46 6.722 14.162 -1.207 1.00 0.00 ATOM 351 CB LEU A 46 5.430 13.373 -1.430 1.00 0.00 ATOM 352 CG LEU A 46 5.576 11.856 -1.560 1.00 0.00 ATOM 353 CD1 LEU A 46 4.213 11.194 -1.694 1.00 0.00 ATOM 354 CD2 LEU A 46 6.400 11.498 -2.787 1.00 0.00 ATOM 355 O LEU A 46 6.030 16.092 -0.024 1.00 0.00 ATOM 356 C LEU A 46 6.419 15.611 -1.087 1.00 0.00 ATOM 357 N GLU A 47 6.615 16.358 -2.187 1.00 0.00 ATOM 358 CA GLU A 47 6.282 17.744 -2.121 1.00 0.00 ATOM 359 CB GLU A 47 6.611 18.438 -3.444 1.00 0.00 ATOM 360 CG GLU A 47 6.343 19.934 -3.444 1.00 0.00 ATOM 361 CD GLU A 47 6.731 20.595 -4.752 1.00 0.00 ATOM 362 OE1 GLU A 47 7.207 19.882 -5.660 1.00 0.00 ATOM 363 OE2 GLU A 47 6.558 21.827 -4.869 1.00 0.00 ATOM 364 O GLU A 47 4.072 16.959 -2.404 1.00 0.00 ATOM 365 C GLU A 47 4.823 17.756 -1.846 1.00 0.00 ATOM 366 N SER A 48 4.375 18.649 -0.954 1.00 0.00 ATOM 367 CA SER A 48 2.987 18.608 -0.627 1.00 0.00 ATOM 368 CB SER A 48 2.718 17.538 0.433 1.00 0.00 ATOM 369 OG SER A 48 1.336 17.459 0.739 1.00 0.00 ATOM 370 O SER A 48 2.941 20.978 -0.677 1.00 0.00 ATOM 371 C SER A 48 2.609 19.943 -0.103 1.00 0.00 ATOM 372 N GLU A 49 1.866 19.921 1.014 1.00 0.00 ATOM 373 CA GLU A 49 1.372 21.113 1.619 1.00 0.00 ATOM 374 CB GLU A 49 0.533 20.779 2.854 1.00 0.00 ATOM 375 CG GLU A 49 -0.805 20.129 2.538 1.00 0.00 ATOM 376 CD GLU A 49 -1.553 19.701 3.785 1.00 0.00 ATOM 377 OE1 GLU A 49 -0.994 19.845 4.892 1.00 0.00 ATOM 378 OE2 GLU A 49 -2.699 19.221 3.654 1.00 0.00 ATOM 379 O GLU A 49 2.517 23.169 1.807 1.00 0.00 ATOM 380 C GLU A 49 2.532 21.958 2.023 1.00 0.00 ATOM 381 N ALA A 50 3.584 21.333 2.591 1.00 0.00 ATOM 382 CA ALA A 50 4.690 22.104 3.076 1.00 0.00 ATOM 383 CB ALA A 50 5.391 22.808 1.924 1.00 0.00 ATOM 384 O ALA A 50 4.458 24.261 4.025 1.00 0.00 ATOM 385 C ALA A 50 4.104 23.084 4.021 1.00 0.00 ATOM 386 N ARG A 51 3.174 22.591 4.852 1.00 0.00 ATOM 387 CA ARG A 51 2.461 23.436 5.752 1.00 0.00 ATOM 388 CB ARG A 51 1.463 22.620 6.576 1.00 0.00 ATOM 389 CG ARG A 51 2.109 21.682 7.582 1.00 0.00 ATOM 390 CD ARG A 51 1.063 20.955 8.411 1.00 0.00 ATOM 391 NE ARG A 51 1.668 20.117 9.443 1.00 0.00 ATOM 392 CZ ARG A 51 2.072 20.564 10.628 1.00 0.00 ATOM 393 NH1 ARG A 51 2.611 19.727 11.504 1.00 0.00 ATOM 394 NH2 ARG A 51 1.936 21.847 10.933 1.00 0.00 ATOM 395 O ARG A 51 4.515 23.585 6.944 1.00 0.00 ATOM 396 C ARG A 51 3.429 24.096 6.671 1.00 0.00 ATOM 397 N GLU A 52 3.034 25.293 7.139 1.00 0.00 ATOM 398 CA GLU A 52 3.814 26.133 7.993 1.00 0.00 ATOM 399 CB GLU A 52 3.097 27.462 8.237 1.00 0.00 ATOM 400 CG GLU A 52 3.035 28.367 7.017 1.00 0.00 ATOM 401 CD GLU A 52 2.278 29.653 7.283 1.00 0.00 ATOM 402 OE1 GLU A 52 1.794 29.833 8.421 1.00 0.00 ATOM 403 OE2 GLU A 52 2.169 30.482 6.355 1.00 0.00 ATOM 404 O GLU A 52 3.253 24.523 9.643 1.00 0.00 ATOM 405 C GLU A 52 4.011 25.426 9.292 1.00 0.00 ATOM 406 N LEU A 53 5.077 25.804 10.022 1.00 0.00 ATOM 407 CA LEU A 53 5.385 25.140 11.251 1.00 0.00 ATOM 408 CB LEU A 53 6.671 25.705 11.858 1.00 0.00 ATOM 409 CG LEU A 53 7.116 25.098 13.190 1.00 0.00 ATOM 410 CD1 LEU A 53 7.406 23.613 13.033 1.00 0.00 ATOM 411 CD2 LEU A 53 8.378 25.779 13.696 1.00 0.00 ATOM 412 O LEU A 53 3.735 24.430 12.801 1.00 0.00 ATOM 413 C LEU A 53 4.236 25.367 12.183 1.00 0.00 ATOM 414 N ALA A 54 3.762 26.622 12.309 1.00 0.00 ATOM 415 CA ALA A 54 2.644 26.828 13.178 1.00 0.00 ATOM 416 CB ALA A 54 3.101 27.439 14.494 1.00 0.00 ATOM 417 O ALA A 54 2.076 28.789 11.956 1.00 0.00 ATOM 418 C ALA A 54 1.692 27.753 12.497 1.00 0.00 ATOM 419 N PRO A 55 0.449 27.372 12.507 1.00 0.00 ATOM 420 CA PRO A 55 -0.542 28.214 11.901 1.00 0.00 ATOM 421 CB PRO A 55 -1.738 27.284 11.689 1.00 0.00 ATOM 422 CG PRO A 55 -1.630 26.279 12.786 1.00 0.00 ATOM 423 CD PRO A 55 -0.160 26.039 12.987 1.00 0.00 ATOM 424 O PRO A 55 -0.683 29.213 14.025 1.00 0.00 ATOM 425 C PRO A 55 -0.870 29.348 12.817 1.00 0.00 ATOM 426 N GLU A 56 -1.336 30.485 12.266 1.00 0.00 ATOM 427 CA GLU A 56 -1.724 31.576 13.108 1.00 0.00 ATOM 428 CB GLU A 56 -2.095 32.798 12.265 1.00 0.00 ATOM 429 CG GLU A 56 -0.914 33.454 11.569 1.00 0.00 ATOM 430 CD GLU A 56 -1.335 34.569 10.633 1.00 0.00 ATOM 431 OE1 GLU A 56 -2.555 34.783 10.475 1.00 0.00 ATOM 432 OE2 GLU A 56 -0.445 35.230 10.058 1.00 0.00 ATOM 433 O GLU A 56 -2.949 31.218 15.112 1.00 0.00 ATOM 434 C GLU A 56 -2.901 31.100 13.889 1.00 0.00 ATOM 435 N GLU A 57 -3.873 30.512 13.167 1.00 0.00 ATOM 436 CA GLU A 57 -5.079 30.013 13.751 1.00 0.00 ATOM 437 CB GLU A 57 -6.011 31.167 14.125 1.00 0.00 ATOM 438 CG GLU A 57 -6.530 31.956 12.934 1.00 0.00 ATOM 439 CD GLU A 57 -7.345 33.166 13.347 1.00 0.00 ATOM 440 OE1 GLU A 57 -7.455 33.420 14.564 1.00 0.00 ATOM 441 OE2 GLU A 57 -7.872 33.861 12.452 1.00 0.00 ATOM 442 O GLU A 57 -5.327 29.185 11.549 1.00 0.00 ATOM 443 C GLU A 57 -5.708 29.142 12.718 1.00 0.00 ATOM 444 N GLU A 58 -6.685 28.310 13.123 1.00 0.00 ATOM 445 CA GLU A 58 -7.339 27.489 12.151 1.00 0.00 ATOM 446 CB GLU A 58 -7.681 26.122 12.747 1.00 0.00 ATOM 447 CG GLU A 58 -8.389 25.184 11.783 1.00 0.00 ATOM 448 CD GLU A 58 -8.724 23.846 12.412 1.00 0.00 ATOM 449 OE1 GLU A 58 -8.403 23.653 13.604 1.00 0.00 ATOM 450 OE2 GLU A 58 -9.307 22.991 11.714 1.00 0.00 ATOM 451 O GLU A 58 -9.424 28.534 12.595 1.00 0.00 ATOM 452 C GLU A 58 -8.585 28.213 11.755 1.00 0.00 ATOM 453 N VAL A 59 -8.730 28.493 10.446 1.00 0.00 ATOM 454 CA VAL A 59 -9.869 29.230 9.981 1.00 0.00 ATOM 455 CB VAL A 59 -9.530 30.717 9.767 1.00 0.00 ATOM 456 CG1 VAL A 59 -9.106 31.361 11.078 1.00 0.00 ATOM 457 CG2 VAL A 59 -8.393 30.865 8.768 1.00 0.00 ATOM 458 O VAL A 59 -9.630 27.703 8.189 1.00 0.00 ATOM 459 C VAL A 59 -10.289 28.617 8.684 1.00 0.00 ATOM 460 N LYS A 60 -11.433 29.084 8.134 1.00 0.00 ATOM 461 CA LYS A 60 -11.946 28.625 6.872 1.00 0.00 ATOM 462 CB LYS A 60 -13.426 28.257 6.997 1.00 0.00 ATOM 463 CG LYS A 60 -13.698 27.089 7.931 1.00 0.00 ATOM 464 CD LYS A 60 -15.185 26.786 8.018 1.00 0.00 ATOM 465 CE LYS A 60 -15.455 25.605 8.937 1.00 0.00 ATOM 466 NZ LYS A 60 -16.899 25.242 8.964 1.00 0.00 ATOM 467 O LYS A 60 -12.301 30.838 6.088 1.00 0.00 ATOM 468 C LYS A 60 -11.776 29.745 5.886 1.00 0.00 ATOM 469 N LEU A 61 -10.994 29.501 4.811 1.00 0.00 ATOM 470 CA LEU A 61 -10.739 30.481 3.786 1.00 0.00 ATOM 471 CB LEU A 61 -9.627 30.002 2.851 1.00 0.00 ATOM 472 CG LEU A 61 -8.218 29.945 3.447 1.00 0.00 ATOM 473 CD1 LEU A 61 -7.252 29.279 2.479 1.00 0.00 ATOM 474 CD2 LEU A 61 -7.704 31.346 3.743 1.00 0.00 ATOM 475 O LEU A 61 -12.349 31.912 2.780 1.00 0.00 ATOM 476 C LEU A 61 -11.945 30.760 2.936 1.00 0.00 ATOM 477 N GLU A 62 -12.569 29.702 2.380 1.00 0.00 ATOM 478 CA GLU A 62 -13.696 29.887 1.510 1.00 0.00 ATOM 479 CB GLU A 62 -14.897 30.418 2.295 1.00 0.00 ATOM 480 CG GLU A 62 -15.387 29.482 3.388 1.00 0.00 ATOM 481 CD GLU A 62 -16.568 30.047 4.153 1.00 0.00 ATOM 482 OE1 GLU A 62 -17.054 31.134 3.777 1.00 0.00 ATOM 483 OE2 GLU A 62 -17.007 29.403 5.128 1.00 0.00 ATOM 484 O GLU A 62 -14.068 31.831 0.192 1.00 0.00 ATOM 485 C GLU A 62 -13.333 30.876 0.436 1.00 0.00 ATOM 486 N HIS A 63 -12.177 30.674 -0.235 1.00 0.00 ATOM 487 CA HIS A 63 -11.753 31.574 -1.275 1.00 0.00 ATOM 488 CB HIS A 63 -10.579 32.431 -0.796 1.00 0.00 ATOM 489 CG HIS A 63 -10.940 33.398 0.288 1.00 0.00 ATOM 490 CD2 HIS A 63 -12.180 33.888 0.872 1.00 0.00 ATOM 491 ND1 HIS A 63 -9.994 34.083 1.019 1.00 0.00 ATOM 492 CE1 HIS A 63 -10.618 34.871 1.913 1.00 0.00 ATOM 493 NE2 HIS A 63 -11.930 34.758 1.831 1.00 0.00 ATOM 494 O HIS A 63 -10.552 29.795 -2.303 1.00 0.00 ATOM 495 C HIS A 63 -11.336 30.733 -2.442 1.00 0.00 ATOM 496 N HIS A 64 -11.868 31.071 -3.632 1.00 0.00 ATOM 497 CA HIS A 64 -11.649 30.349 -4.852 1.00 0.00 ATOM 498 CB HIS A 64 -12.526 30.912 -5.973 1.00 0.00 ATOM 499 CG HIS A 64 -12.380 30.189 -7.275 1.00 0.00 ATOM 500 CD2 HIS A 64 -11.812 30.502 -8.579 1.00 0.00 ATOM 501 ND1 HIS A 64 -12.837 28.903 -7.468 1.00 0.00 ATOM 502 CE1 HIS A 64 -12.564 28.526 -8.730 1.00 0.00 ATOM 503 NE2 HIS A 64 -11.949 29.480 -9.402 1.00 0.00 ATOM 504 O HIS A 64 -9.656 29.478 -5.786 1.00 0.00 ATOM 505 C HIS A 64 -10.222 30.447 -5.283 1.00 0.00 ATOM 506 N HIS A 65 -9.591 31.622 -5.108 1.00 0.00 ATOM 507 CA HIS A 65 -8.242 31.738 -5.582 1.00 0.00 ATOM 508 CB HIS A 65 -8.039 33.074 -6.299 1.00 0.00 ATOM 509 CG HIS A 65 -8.888 33.239 -7.521 1.00 0.00 ATOM 510 CD2 HIS A 65 -10.167 33.866 -7.820 1.00 0.00 ATOM 511 ND1 HIS A 65 -8.525 32.738 -8.753 1.00 0.00 ATOM 512 CE1 HIS A 65 -9.481 33.042 -9.648 1.00 0.00 ATOM 513 NE2 HIS A 65 -10.469 33.719 -9.096 1.00 0.00 ATOM 514 O HIS A 65 -7.676 31.801 -3.275 1.00 0.00 ATOM 515 C HIS A 65 -7.293 31.661 -4.434 1.00 0.00 ATOM 516 N HIS A 66 -6.007 31.411 -4.751 1.00 0.00 ATOM 517 CA HIS A 66 -5.003 31.236 -3.745 1.00 0.00 ATOM 518 CB HIS A 66 -3.661 30.876 -4.385 1.00 0.00 ATOM 519 CG HIS A 66 -2.635 30.395 -3.406 1.00 0.00 ATOM 520 CD2 HIS A 66 -2.097 29.100 -3.017 1.00 0.00 ATOM 521 ND1 HIS A 66 -1.927 31.251 -2.590 1.00 0.00 ATOM 522 CE1 HIS A 66 -1.086 30.531 -1.826 1.00 0.00 ATOM 523 NE2 HIS A 66 -1.182 29.240 -2.077 1.00 0.00 ATOM 524 O HIS A 66 -4.706 33.583 -3.553 1.00 0.00 ATOM 525 C HIS A 66 -4.855 32.505 -2.980 1.00 0.00 ATOM 526 N HIS A 67 -4.913 32.395 -1.641 1.00 0.00 ATOM 527 CA HIS A 67 -4.697 33.532 -0.802 1.00 0.00 ATOM 528 CB HIS A 67 -5.391 33.341 0.548 1.00 0.00 ATOM 529 CG HIS A 67 -5.384 34.566 1.409 1.00 0.00 ATOM 530 CD2 HIS A 67 -6.316 35.651 1.679 1.00 0.00 ATOM 531 ND1 HIS A 67 -4.316 34.906 2.211 1.00 0.00 ATOM 532 CE1 HIS A 67 -4.602 36.049 2.860 1.00 0.00 ATOM 533 NE2 HIS A 67 -5.801 36.501 2.545 1.00 0.00 ATOM 534 O HIS A 67 -2.510 32.628 -0.779 1.00 0.00 ATOM 535 C HIS A 67 -3.218 33.624 -0.636 1.00 0.00 ATOM 536 N HIS A 68 -2.695 34.832 -0.361 1.00 0.00 ATOM 537 CA HIS A 68 -1.278 34.928 -0.172 1.00 0.00 ATOM 538 CB HIS A 68 -0.843 36.394 -0.117 1.00 0.00 ATOM 539 CG HIS A 68 -1.106 37.150 -1.382 1.00 0.00 ATOM 540 CD2 HIS A 68 -1.983 38.245 -1.774 1.00 0.00 ATOM 541 ND1 HIS A 68 -0.450 36.879 -2.562 1.00 0.00 ATOM 542 CE1 HIS A 68 -0.896 37.717 -3.515 1.00 0.00 ATOM 543 NE2 HIS A 68 -1.816 38.539 -3.048 1.00 0.00 ATOM 544 O HIS A 68 -1.879 33.652 1.764 1.00 0.00 ATOM 545 C HIS A 68 -0.948 34.235 1.145 1.00 0.00 ENDMDL