EXPDTA CaspIta-FOX_TS2-scwrl MODEL 1 REMARK 44 REMARK 44 model 1 is called CaspIta-FOX_TS2-scwrl ATOM 1 C VAL 28 21.645 49.252 15.710 1.00 0.00 ATOM 2 N SER A 29 20.479 49.521 15.071 1.00 0.00 ATOM 3 CA SER A 29 20.120 50.884 14.691 1.00 0.00 ATOM 4 CB SER A 29 19.999 51.002 13.170 1.00 0.00 ATOM 5 OG SER A 29 19.571 52.299 12.792 1.00 0.00 ATOM 6 O SER A 29 17.795 50.500 15.165 1.00 0.00 ATOM 7 C SER A 29 18.783 51.217 15.340 1.00 0.00 ATOM 8 N THR A 30 18.776 52.291 16.119 1.00 0.00 ATOM 9 CA THR A 30 17.519 52.901 16.581 1.00 0.00 ATOM 10 CB THR A 30 17.363 52.784 18.109 1.00 0.00 ATOM 11 CG2 THR A 30 17.503 51.335 18.549 1.00 0.00 ATOM 12 OG1 THR A 30 18.375 53.566 18.756 1.00 0.00 ATOM 13 O THR A 30 18.558 54.846 15.672 1.00 0.00 ATOM 14 C THR A 30 17.547 54.376 16.185 1.00 0.00 ATOM 15 N ALA A 31 16.461 55.095 16.437 1.00 0.00 ATOM 16 CA ALA A 31 16.428 56.524 16.125 1.00 0.00 ATOM 17 CB ALA A 31 15.156 56.872 15.368 1.00 0.00 ATOM 18 O ALA A 31 15.750 57.087 18.332 1.00 0.00 ATOM 19 C ALA A 31 16.469 57.373 17.381 1.00 0.00 ATOM 20 N GLY A 32 17.288 58.427 17.366 1.00 0.00 ATOM 21 CA GLY A 32 17.234 59.448 18.426 1.00 0.00 ATOM 22 O GLY A 32 15.236 60.174 17.262 1.00 0.00 ATOM 23 C GLY A 32 15.959 60.301 18.266 1.00 0.00 ATOM 24 N ALA A 33 15.687 61.162 19.255 1.00 0.00 ATOM 25 CA ALA A 33 14.496 62.022 19.216 1.00 0.00 ATOM 26 CB ALA A 33 14.452 62.923 20.441 1.00 0.00 ATOM 27 O ALA A 33 13.443 63.249 17.439 1.00 0.00 ATOM 28 C ALA A 33 14.502 62.906 17.973 1.00 0.00 ATOM 29 N ASP A 34 15.697 63.252 17.504 1.00 0.00 ATOM 30 CA ASP A 34 15.818 64.118 16.334 1.00 0.00 ATOM 31 CB ASP A 34 17.097 64.954 16.416 1.00 0.00 ATOM 32 CG ASP A 34 18.351 64.102 16.396 1.00 0.00 ATOM 33 OD1 ASP A 34 18.226 62.861 16.340 1.00 0.00 ATOM 34 OD2 ASP A 34 19.460 64.677 16.437 1.00 0.00 ATOM 35 O ASP A 34 16.124 63.912 13.965 1.00 0.00 ATOM 36 C ASP A 34 15.871 63.338 15.029 1.00 0.00 ATOM 37 N GLY A 35 15.624 62.034 15.132 1.00 0.00 ATOM 38 CA GLY A 35 13.908 54.442 12.019 1.00 0.00 ATOM 39 O GLY A 35 13.160 53.239 13.950 1.00 0.00 ATOM 40 C GLY A 35 13.243 53.270 12.723 1.00 0.00 ATOM 41 N GLY A 36 12.885 52.544 12.135 1.00 0.00 ATOM 42 CA GLY A 36 10.740 44.669 11.839 1.00 0.00 ATOM 43 O GLY A 36 10.972 44.039 9.540 1.00 0.00 ATOM 44 C GLY A 36 10.882 43.663 10.709 1.00 0.00 ATOM 45 N ALA A 37 10.900 42.408 11.051 1.00 0.00 ATOM 46 CA ALA A 37 8.426 27.985 7.767 1.00 0.00 ATOM 47 CB ALA A 37 9.107 27.085 8.786 1.00 0.00 ATOM 48 O ALA A 37 6.266 27.315 8.555 1.00 0.00 ATOM 49 C ALA A 37 7.110 27.233 7.662 1.00 0.00 ATOM 50 N PRO A 38 14.087 53.913 14.501 1.00 0.00 ATOM 51 CA PRO A 38 11.492 39.873 12.676 1.00 0.00 ATOM 52 CB PRO A 38 10.695 39.810 11.372 1.00 0.00 ATOM 53 CG PRO A 38 11.095 41.041 10.630 1.00 0.00 ATOM 54 CD PRO A 38 11.331 42.098 11.672 1.00 0.00 ATOM 55 O PRO A 38 13.172 38.266 12.098 1.00 0.00 ATOM 56 C PRO A 38 12.022 38.460 12.492 1.00 0.00 ATOM 57 N TYR A 39 11.389 37.717 12.708 1.00 0.00 ATOM 58 CA TYR A 39 8.398 21.956 9.909 1.00 0.00 ATOM 59 CB TYR A 39 7.665 21.778 8.578 1.00 0.00 ATOM 60 CG TYR A 39 6.312 22.452 8.528 1.00 0.00 ATOM 61 CD1 TYR A 39 6.169 23.719 7.978 1.00 0.00 ATOM 62 CD2 TYR A 39 5.184 21.819 9.032 1.00 0.00 ATOM 63 CE1 TYR A 39 4.937 24.343 7.928 1.00 0.00 ATOM 64 CE2 TYR A 39 3.943 22.427 8.991 1.00 0.00 ATOM 65 CZ TYR A 39 3.827 23.699 8.433 1.00 0.00 ATOM 66 OH TYR A 39 2.599 24.318 8.385 1.00 0.00 ATOM 67 O TYR A 39 10.628 21.145 9.895 1.00 0.00 ATOM 68 C TYR A 39 9.904 22.132 10.023 1.00 0.00 ATOM 69 N LEU A 40 23.619 53.905 16.204 1.00 0.00 ATOM 70 CA LEU A 40 24.005 52.571 15.764 1.00 0.00 ATOM 71 CB LEU A 40 24.456 52.598 14.302 1.00 0.00 ATOM 72 CG LEU A 40 24.786 51.245 13.669 1.00 0.00 ATOM 73 CD1 LEU A 40 23.557 50.349 13.645 1.00 0.00 ATOM 74 CD2 LEU A 40 25.272 51.425 12.239 1.00 0.00 ATOM 75 O LEU A 40 26.276 52.601 16.587 1.00 0.00 ATOM 76 C LEU A 40 25.162 52.055 16.629 1.00 0.00 ATOM 77 N VAL A 41 24.886 51.028 17.432 1.00 0.00 ATOM 78 CA VAL A 41 25.888 50.505 18.372 1.00 0.00 ATOM 79 CB VAL A 41 25.578 50.928 19.820 1.00 0.00 ATOM 80 CG1 VAL A 41 25.635 52.442 19.956 1.00 0.00 ATOM 81 CG2 VAL A 41 24.189 50.461 20.226 1.00 0.00 ATOM 82 O VAL A 41 24.924 48.345 17.953 1.00 0.00 ATOM 83 C VAL A 41 25.921 48.987 18.327 1.00 0.00 ATOM 84 N PRO A 42 27.067 48.406 18.698 1.00 0.00 ATOM 85 CA PRO A 42 27.205 46.947 18.651 1.00 0.00 ATOM 86 CB PRO A 42 28.715 46.715 18.729 1.00 0.00 ATOM 87 CG PRO A 42 29.235 47.893 19.483 1.00 0.00 ATOM 88 CD PRO A 42 28.359 49.053 19.101 1.00 0.00 ATOM 89 O PRO A 42 26.550 46.744 20.968 1.00 0.00 ATOM 90 C PRO A 42 26.483 46.285 19.814 1.00 0.00 ATOM 91 N LEU A 43 25.814 45.181 19.491 1.00 0.00 ATOM 92 CA LEU A 43 25.104 44.364 20.479 1.00 0.00 ATOM 93 CB LEU A 43 23.624 44.749 20.529 1.00 0.00 ATOM 94 CG LEU A 43 23.309 46.173 20.991 1.00 0.00 ATOM 95 CD1 LEU A 43 21.843 46.503 20.756 1.00 0.00 ATOM 96 CD2 LEU A 43 23.601 46.334 22.475 1.00 0.00 ATOM 97 O LEU A 43 25.449 42.514 18.957 1.00 0.00 ATOM 98 C LEU A 43 25.210 42.883 20.114 1.00 0.00 ATOM 99 N SER A 44 24.992 42.029 21.115 1.00 0.00 ATOM 100 CA SER A 44 24.574 40.664 20.818 1.00 0.00 ATOM 101 CB SER A 44 24.935 39.730 21.975 1.00 0.00 ATOM 102 OG SER A 44 26.338 39.654 22.151 1.00 0.00 ATOM 103 O SER A 44 22.364 41.571 21.109 1.00 0.00 ATOM 104 C SER A 44 23.063 40.679 20.614 1.00 0.00 ATOM 105 N TYR A 45 22.547 39.700 19.883 1.00 0.00 ATOM 106 CA TYR A 45 21.099 39.567 19.782 1.00 0.00 ATOM 107 CB TYR A 45 20.568 40.375 18.596 1.00 0.00 ATOM 108 CG TYR A 45 21.039 39.870 17.251 1.00 0.00 ATOM 109 CD1 TYR A 45 20.273 38.970 16.521 1.00 0.00 ATOM 110 CD2 TYR A 45 22.248 40.294 16.715 1.00 0.00 ATOM 111 CE1 TYR A 45 20.695 38.503 15.291 1.00 0.00 ATOM 112 CE2 TYR A 45 22.687 39.838 15.487 1.00 0.00 ATOM 113 CZ TYR A 45 21.898 38.935 14.775 1.00 0.00 ATOM 114 OH TYR A 45 22.321 38.472 13.551 1.00 0.00 ATOM 115 O TYR A 45 21.609 37.292 19.265 1.00 0.00 ATOM 116 C TYR A 45 20.739 38.116 19.586 1.00 0.00 ATOM 117 N LEU A 46 19.462 37.816 19.780 1.00 0.00 ATOM 118 CA LEU A 46 18.943 36.491 19.461 1.00 0.00 ATOM 119 CB LEU A 46 18.503 35.767 20.735 1.00 0.00 ATOM 120 CG LEU A 46 17.879 34.382 20.547 1.00 0.00 ATOM 121 CD1 LEU A 46 18.918 33.389 20.048 1.00 0.00 ATOM 122 CD2 LEU A 46 17.317 33.863 21.861 1.00 0.00 ATOM 123 O LEU A 46 17.067 37.649 18.534 1.00 0.00 ATOM 124 C LEU A 46 17.749 36.626 18.532 1.00 0.00 ATOM 125 N TRP A 47 17.508 35.599 17.725 1.00 0.00 ATOM 126 CA TRP A 47 16.395 35.600 16.866 1.00 0.00 ATOM 127 CB TRP A 47 15.609 36.905 17.009 1.00 0.00 ATOM 128 CG TRP A 47 14.934 37.055 18.338 1.00 0.00 ATOM 129 CD1 TRP A 47 15.366 37.802 19.397 1.00 0.00 ATOM 130 CD2 TRP A 47 13.706 36.444 18.752 1.00 0.00 ATOM 131 CE2 TRP A 47 13.455 36.865 20.073 1.00 0.00 ATOM 132 CE3 TRP A 47 12.794 35.582 18.135 1.00 0.00 ATOM 133 NE1 TRP A 47 14.483 37.694 20.444 1.00 0.00 ATOM 134 CZ2 TRP A 47 12.331 36.453 20.787 1.00 0.00 ATOM 135 CZ3 TRP A 47 11.681 35.177 18.847 1.00 0.00 ATOM 136 CH2 TRP A 47 11.456 35.610 20.158 1.00 0.00 ATOM 137 O TRP A 47 17.536 36.359 14.901 1.00 0.00 ATOM 138 C TRP A 47 16.881 35.462 15.432 1.00 0.00 ATOM 139 N ASP A 48 16.640 34.614 14.961 1.00 0.00 ATOM 140 CA ASP A 48 17.034 34.296 13.459 1.00 0.00 ATOM 141 CB ASP A 48 16.852 32.806 13.161 1.00 0.00 ATOM 142 CG ASP A 48 17.903 31.945 13.834 1.00 0.00 ATOM 143 OD1 ASP A 48 18.920 32.503 14.298 1.00 0.00 ATOM 144 OD2 ASP A 48 17.711 30.713 13.896 1.00 0.00 ATOM 145 O ASP A 48 16.688 35.540 11.442 1.00 0.00 ATOM 146 C ASP A 48 16.185 35.066 12.461 1.00 0.00 ATOM 147 N GLY A 49 14.910 35.188 12.751 1.00 0.00 ATOM 148 CA GLY A 49 13.992 35.879 11.900 1.00 0.00 ATOM 149 O GLY A 49 11.825 36.896 11.977 1.00 0.00 ATOM 150 C GLY A 49 12.690 36.264 12.584 1.00 0.00 ATOM 151 N GLU A 50 12.586 35.977 13.536 1.00 0.00 ATOM 152 CA GLU A 50 11.327 36.223 14.390 1.00 0.00 ATOM 153 CB GLU A 50 10.941 34.954 15.153 1.00 0.00 ATOM 154 CG GLU A 50 10.630 33.764 14.261 1.00 0.00 ATOM 155 CD GLU A 50 10.231 32.533 15.050 1.00 0.00 ATOM 156 OE1 GLU A 50 11.019 32.102 15.918 1.00 0.00 ATOM 157 OE2 GLU A 50 9.129 31.999 14.801 1.00 0.00 ATOM 158 O GLU A 50 12.760 37.823 15.449 1.00 0.00 ATOM 159 C GLU A 50 11.631 37.338 15.377 1.00 0.00 ATOM 160 N THR A 51 10.871 37.643 15.951 1.00 0.00 ATOM 161 CA THR A 51 11.052 38.556 17.016 1.00 0.00 ATOM 162 CB THR A 51 9.986 38.364 18.111 1.00 0.00 ATOM 163 CG2 THR A 51 10.186 39.374 19.231 1.00 0.00 ATOM 164 OG1 THR A 51 8.681 38.547 17.549 1.00 0.00 ATOM 165 O THR A 51 12.574 37.601 18.600 1.00 0.00 ATOM 166 C THR A 51 12.391 38.449 17.726 1.00 0.00 ATOM 167 N PHE A 52 13.343 39.322 17.344 1.00 0.00 ATOM 168 CA PHE A 52 14.672 39.431 17.760 1.00 0.00 ATOM 169 CB PHE A 52 15.484 40.247 16.752 1.00 0.00 ATOM 170 CG PHE A 52 15.762 39.520 15.467 1.00 0.00 ATOM 171 CD1 PHE A 52 14.999 39.763 14.339 1.00 0.00 ATOM 172 CD2 PHE A 52 16.786 38.593 15.388 1.00 0.00 ATOM 173 CE1 PHE A 52 15.255 39.094 13.157 1.00 0.00 ATOM 174 CE2 PHE A 52 17.042 37.924 14.206 1.00 0.00 ATOM 175 CZ PHE A 52 16.281 38.171 13.093 1.00 0.00 ATOM 176 O PHE A 52 13.886 40.944 19.442 1.00 0.00 ATOM 177 C PHE A 52 14.741 40.122 19.112 1.00 0.00 ATOM 178 N LEU A 53 15.767 39.785 19.900 1.00 0.00 ATOM 179 CA LEU A 53 15.899 40.341 21.243 1.00 0.00 ATOM 180 CB LEU A 53 15.603 39.272 22.297 1.00 0.00 ATOM 181 CG LEU A 53 14.186 38.695 22.297 1.00 0.00 ATOM 182 CD1 LEU A 53 14.083 37.524 23.262 1.00 0.00 ATOM 183 CD2 LEU A 53 13.175 39.750 22.720 1.00 0.00 ATOM 184 O LEU A 53 18.293 40.221 21.154 1.00 0.00 ATOM 185 C LEU A 53 17.296 40.871 21.509 1.00 0.00 ATOM 186 N VAL A 54 17.353 42.046 22.131 1.00 0.00 ATOM 187 CA VAL A 54 18.604 42.612 22.646 1.00 0.00 ATOM 188 CB VAL A 54 18.945 43.946 21.957 1.00 0.00 ATOM 189 CG1 VAL A 54 20.222 44.535 22.539 1.00 0.00 ATOM 190 CG2 VAL A 54 19.149 43.739 20.464 1.00 0.00 ATOM 191 O VAL A 54 17.451 43.462 24.540 1.00 0.00 ATOM 192 C VAL A 54 18.423 42.845 24.142 1.00 0.00 ATOM 193 N ALA A 55 19.332 42.317 24.962 1.00 0.00 ATOM 194 CA ALA A 55 19.325 42.650 26.386 1.00 0.00 ATOM 195 CB ALA A 55 19.815 41.469 27.209 1.00 0.00 ATOM 196 O ALA A 55 21.302 43.982 26.068 1.00 0.00 ATOM 197 C ALA A 55 20.228 43.834 26.670 1.00 0.00 ATOM 198 N THR A 56 19.779 44.692 27.584 1.00 0.00 ATOM 199 CA THR A 56 20.492 45.935 27.913 1.00 0.00 ATOM 200 CB THR A 56 20.108 47.077 26.953 1.00 0.00 ATOM 201 CG2 THR A 56 20.345 46.661 25.510 1.00 0.00 ATOM 202 OG1 THR A 56 18.722 47.401 27.122 1.00 0.00 ATOM 203 O THR A 56 19.259 45.767 29.958 1.00 0.00 ATOM 204 C THR A 56 20.139 46.363 29.343 1.00 0.00 ATOM 205 N PRO A 57 20.848 47.353 29.896 1.00 0.00 ATOM 206 CA PRO A 57 20.465 47.904 31.194 1.00 0.00 ATOM 207 CB PRO A 57 21.763 48.503 31.740 1.00 0.00 ATOM 208 CG PRO A 57 22.545 48.870 30.523 1.00 0.00 ATOM 209 CD PRO A 57 22.209 47.837 29.484 1.00 0.00 ATOM 210 O PRO A 57 19.495 49.760 30.000 1.00 0.00 ATOM 211 C PRO A 57 19.384 48.952 30.944 1.00 0.00 ATOM 212 N ALA A 58 18.343 48.928 31.780 1.00 0.00 ATOM 213 CA ALA A 58 17.248 49.893 31.682 1.00 0.00 ATOM 214 CB ALA A 58 16.384 49.843 32.933 1.00 0.00 ATOM 215 O ALA A 58 18.785 51.685 32.167 1.00 0.00 ATOM 216 C ALA A 58 17.791 51.311 31.529 1.00 0.00 ATOM 217 N ALA A 59 17.155 52.087 30.659 1.00 0.00 ATOM 218 CA ALA A 59 17.533 53.489 30.480 1.00 0.00 ATOM 219 CB ALA A 59 17.945 54.101 31.810 1.00 0.00 ATOM 220 O ALA A 59 19.099 54.867 29.323 1.00 0.00 ATOM 221 C ALA A 59 18.690 53.720 29.534 1.00 0.00 ATOM 222 N SER A 60 19.223 52.653 28.928 1.00 0.00 ATOM 223 CA SER A 60 20.268 52.827 27.918 1.00 0.00 ATOM 224 CB SER A 60 20.767 51.468 27.424 1.00 0.00 ATOM 225 OG SER A 60 19.767 50.799 26.675 1.00 0.00 ATOM 226 O SER A 60 18.509 53.654 26.514 1.00 0.00 ATOM 227 C SER A 60 19.723 53.608 26.726 1.00 0.00 ATOM 228 N PRO A 61 20.611 54.208 25.930 1.00 0.00 ATOM 229 CA PRO A 61 20.117 54.929 24.770 1.00 0.00 ATOM 230 CB PRO A 61 21.382 55.483 24.112 1.00 0.00 ATOM 231 CG PRO A 61 22.351 55.637 25.236 1.00 0.00 ATOM 232 CD PRO A 61 22.129 54.460 26.143 1.00 0.00 ATOM 233 O PRO A 61 18.332 54.380 23.272 1.00 0.00 ATOM 234 C PRO A 61 19.360 53.996 23.830 1.00 0.00 ATOM 235 N THR A 62 19.877 52.782 23.653 1.00 0.00 ATOM 236 CA THR A 62 19.161 51.772 22.851 1.00 0.00 ATOM 237 CB THR A 62 19.857 50.400 22.919 1.00 0.00 ATOM 238 CG2 THR A 62 19.089 49.372 22.104 1.00 0.00 ATOM 239 OG1 THR A 62 21.186 50.508 22.395 1.00 0.00 ATOM 240 O THR A 62 16.773 51.597 22.548 1.00 0.00 ATOM 241 C THR A 62 17.730 51.585 23.345 1.00 0.00 ATOM 242 N GLY A 63 17.577 51.406 24.660 1.00 0.00 ATOM 243 CA GLY A 63 16.246 51.154 25.223 1.00 0.00 ATOM 244 O GLY A 63 14.176 52.270 24.772 1.00 0.00 ATOM 245 C GLY A 63 15.351 52.379 25.118 1.00 0.00 ATOM 246 N ARG A 64 15.909 53.550 25.416 1.00 0.00 ATOM 247 CA ARG A 64 15.126 54.782 25.348 1.00 0.00 ATOM 248 CB ARG A 64 15.977 55.982 25.770 1.00 0.00 ATOM 249 CG ARG A 64 16.306 56.018 27.253 1.00 0.00 ATOM 250 CD ARG A 64 17.190 57.207 27.594 1.00 0.00 ATOM 251 NE ARG A 64 17.556 57.230 29.008 1.00 0.00 ATOM 252 CZ ARG A 64 18.365 58.130 29.556 1.00 0.00 ATOM 253 NH1 ARG A 64 18.642 58.072 30.851 1.00 0.00 ATOM 254 NH2 ARG A 64 18.897 59.087 28.806 1.00 0.00 ATOM 255 O ARG A 64 13.452 55.292 23.708 1.00 0.00 ATOM 256 C ARG A 64 14.637 55.000 23.912 1.00 0.00 ATOM 257 N ASN A 65 15.546 54.863 22.930 1.00 0.00 ATOM 258 CA ASN A 65 15.191 55.041 21.513 1.00 0.00 ATOM 259 CB ASN A 65 16.427 54.875 20.626 1.00 0.00 ATOM 260 CG ASN A 65 17.376 56.053 20.725 1.00 0.00 ATOM 261 ND2 ASN A 65 18.628 55.837 20.335 1.00 0.00 ATOM 262 OD1 ASN A 65 16.988 57.143 21.146 1.00 0.00 ATOM 263 O ASN A 65 13.197 54.346 20.324 1.00 0.00 ATOM 264 C ASN A 65 14.144 54.016 21.050 1.00 0.00 ATOM 265 N LEU A 66 14.325 52.758 21.455 1.00 0.00 ATOM 266 CA LEU A 66 13.400 51.691 21.038 1.00 0.00 ATOM 267 CB LEU A 66 13.878 50.334 21.558 1.00 0.00 ATOM 268 CG LEU A 66 15.143 49.767 20.911 1.00 0.00 ATOM 269 CD1 LEU A 66 15.610 48.520 21.646 1.00 0.00 ATOM 270 CD2 LEU A 66 14.882 49.393 19.459 1.00 0.00 ATOM 271 O LEU A 66 11.011 51.877 20.879 1.00 0.00 ATOM 272 C LEU A 66 12.007 51.968 21.595 1.00 0.00 ATOM 273 N SER A 67 11.956 52.316 22.879 1.00 0.00 ATOM 274 CA SER A 67 10.693 52.629 23.533 1.00 0.00 ATOM 275 CB SER A 67 10.915 52.912 25.020 1.00 0.00 ATOM 276 OG SER A 67 11.698 54.078 25.206 1.00 0.00 ATOM 277 O SER A 67 8.806 53.857 22.705 1.00 0.00 ATOM 278 C SER A 67 10.020 53.858 22.925 1.00 0.00 ATOM 279 N GLU A 68 10.798 54.909 22.680 1.00 0.00 ATOM 280 CA GLU A 68 10.240 56.188 22.242 1.00 0.00 ATOM 281 CB GLU A 68 11.269 57.307 22.410 1.00 0.00 ATOM 282 CG GLU A 68 11.602 57.633 23.857 1.00 0.00 ATOM 283 CD GLU A 68 12.670 58.701 23.983 1.00 0.00 ATOM 284 OE1 GLU A 68 13.194 59.144 22.939 1.00 0.00 ATOM 285 OE2 GLU A 68 12.984 59.096 25.126 1.00 0.00 ATOM 286 O GLU A 68 8.787 56.785 20.452 1.00 0.00 ATOM 287 C GLU A 68 9.813 56.195 20.776 1.00 0.00 ATOM 288 N THR A 69 10.614 55.585 19.900 1.00 0.00 ATOM 289 CA THR A 69 10.350 55.638 18.458 1.00 0.00 ATOM 290 CB THR A 69 11.635 55.923 17.659 1.00 0.00 ATOM 291 CG2 THR A 69 12.253 57.242 18.096 1.00 0.00 ATOM 292 OG1 THR A 69 12.583 54.871 17.881 1.00 0.00 ATOM 293 O THR A 69 9.158 54.376 16.817 1.00 0.00 ATOM 294 C THR A 69 9.777 54.354 17.879 1.00 0.00 ATOM 295 N GLY A 70 9.965 53.235 18.575 1.00 0.00 ATOM 296 CA GLY A 70 9.225 52.023 18.248 1.00 0.00 ATOM 297 O GLY A 70 9.049 50.289 16.615 1.00 0.00 ATOM 298 C GLY A 70 9.744 51.203 17.094 1.00 0.00 ATOM 299 N ARG A 71 10.970 51.488 16.660 1.00 0.00 ATOM 300 CA ARG A 71 11.568 50.699 15.585 1.00 0.00 ATOM 301 CB ARG A 71 11.488 51.455 14.257 1.00 0.00 ATOM 302 CG ARG A 71 10.070 51.730 13.784 1.00 0.00 ATOM 303 CD ARG A 71 9.368 50.448 13.368 1.00 0.00 ATOM 304 NE ARG A 71 8.059 50.709 12.775 1.00 0.00 ATOM 305 CZ ARG A 71 6.934 50.827 13.472 1.00 0.00 ATOM 306 NH1 ARG A 71 5.788 51.065 12.847 1.00 0.00 ATOM 307 NH2 ARG A 71 6.956 50.709 14.792 1.00 0.00 ATOM 308 O ARG A 71 13.702 51.006 16.665 1.00 0.00 ATOM 309 C ARG A 71 13.042 50.376 15.832 1.00 0.00 ATOM 310 N VAL A 72 13.548 49.381 15.102 1.00 0.00 ATOM 311 CA VAL A 72 14.945 48.981 15.249 1.00 0.00 ATOM 312 CB VAL A 72 15.157 48.123 16.510 1.00 0.00 ATOM 313 CG1 VAL A 72 14.469 46.774 16.358 1.00 0.00 ATOM 314 CG2 VAL A 72 16.640 47.882 16.748 1.00 0.00 ATOM 315 O VAL A 72 14.504 47.600 13.339 1.00 0.00 ATOM 316 C VAL A 72 15.355 48.172 14.035 1.00 0.00 ATOM 317 N ARG A 73 16.653 48.131 13.770 1.00 0.00 ATOM 318 CA ARG A 73 17.201 47.197 12.773 1.00 0.00 ATOM 319 CB ARG A 73 17.631 47.950 11.513 1.00 0.00 ATOM 320 CG ARG A 73 16.481 48.582 10.745 1.00 0.00 ATOM 321 CD ARG A 73 16.978 49.308 9.505 1.00 0.00 ATOM 322 NE ARG A 73 15.891 49.963 8.782 1.00 0.00 ATOM 323 CZ ARG A 73 16.062 50.733 7.712 1.00 0.00 ATOM 324 NH1 ARG A 73 15.014 51.287 7.119 1.00 0.00 ATOM 325 NH2 ARG A 73 17.282 50.945 7.237 1.00 0.00 ATOM 326 O ARG A 73 19.203 47.146 14.075 1.00 0.00 ATOM 327 C ARG A 73 18.405 46.504 13.394 1.00 0.00 ATOM 328 N LEU A 74 18.527 45.198 13.151 1.00 0.00 ATOM 329 CA LEU A 74 19.687 44.435 13.616 1.00 0.00 ATOM 330 CB LEU A 74 19.238 43.221 14.432 1.00 0.00 ATOM 331 CG LEU A 74 18.416 43.515 15.689 1.00 0.00 ATOM 332 CD1 LEU A 74 17.979 42.222 16.360 1.00 0.00 ATOM 333 CD2 LEU A 74 19.233 44.317 16.689 1.00 0.00 ATOM 334 O LEU A 74 19.864 43.355 11.514 1.00 0.00 ATOM 335 C LEU A 74 20.451 43.982 12.386 1.00 0.00 ATOM 336 N GLY A 75 21.742 44.307 12.312 1.00 0.00 ATOM 337 CA GLY A 75 22.524 44.043 11.110 1.00 0.00 ATOM 338 O GLY A 75 24.645 43.788 12.157 1.00 0.00 ATOM 339 C GLY A 75 23.809 43.293 11.413 1.00 0.00 ATOM 340 N ILE A 76 23.971 42.125 10.801 1.00 0.00 ATOM 341 CA ILE A 76 25.099 41.260 11.074 1.00 0.00 ATOM 342 CB ILE A 76 24.645 39.901 11.638 1.00 0.00 ATOM 343 CG1 ILE A 76 25.857 39.023 11.954 1.00 0.00 ATOM 344 CG2 ILE A 76 23.771 39.171 10.630 1.00 0.00 ATOM 345 CD1 ILE A 76 25.526 37.803 12.786 1.00 0.00 ATOM 346 O ILE A 76 25.268 40.810 8.725 1.00 0.00 ATOM 347 C ILE A 76 25.870 41.016 9.780 1.00 0.00 ATOM 348 N GLY A 77 27.194 41.083 9.869 1.00 0.00 ATOM 349 CA GLY A 77 28.050 40.822 8.699 1.00 0.00 ATOM 350 O GLY A 77 29.924 40.254 10.109 1.00 0.00 ATOM 351 C GLY A 77 29.276 39.992 9.091 1.00 0.00 ATOM 352 N PRO A 78 29.571 38.972 8.292 1.00 0.00 ATOM 353 CA PRO A 78 30.793 38.195 8.473 1.00 0.00 ATOM 354 CB PRO A 78 30.327 36.940 9.214 1.00 0.00 ATOM 355 CG PRO A 78 29.084 37.364 9.922 1.00 0.00 ATOM 356 CD PRO A 78 28.387 38.325 9.001 1.00 0.00 ATOM 357 O PRO A 78 30.710 37.223 6.276 1.00 0.00 ATOM 358 C PRO A 78 31.362 37.888 7.094 1.00 0.00 ATOM 359 N THR A 79 32.558 38.414 6.835 1.00 0.00 ATOM 360 CA THR A 79 33.135 38.349 5.495 1.00 0.00 ATOM 361 CB THR A 79 33.312 36.893 5.027 1.00 0.00 ATOM 362 CG2 THR A 79 34.210 36.129 5.988 1.00 0.00 ATOM 363 OG1 THR A 79 32.034 36.247 4.973 1.00 0.00 ATOM 364 O THR A 79 31.859 40.238 4.760 1.00 0.00 ATOM 365 C THR A 79 32.196 39.069 4.545 1.00 0.00 ATOM 366 N ARG A 80 31.744 38.352 3.522 1.00 0.00 ATOM 367 CA ARG A 80 30.836 38.915 2.526 1.00 0.00 ATOM 368 CB ARG A 80 31.157 38.363 1.136 1.00 0.00 ATOM 369 CG ARG A 80 32.527 38.762 0.611 1.00 0.00 ATOM 370 CD ARG A 80 32.746 38.254 -0.805 1.00 0.00 ATOM 371 NE ARG A 80 34.069 38.605 -1.314 1.00 0.00 ATOM 372 CZ ARG A 80 34.545 38.213 -2.492 1.00 0.00 ATOM 373 NH1 ARG A 80 35.760 38.581 -2.872 1.00 0.00 ATOM 374 NH2 ARG A 80 33.803 37.455 -3.287 1.00 0.00 ATOM 375 O ARG A 80 28.466 39.041 2.076 1.00 0.00 ATOM 376 C ARG A 80 29.362 38.593 2.812 1.00 0.00 ATOM 377 N ASP A 81 29.121 37.804 3.860 1.00 0.00 ATOM 378 CA ASP A 81 27.760 37.410 4.237 1.00 0.00 ATOM 379 CB ASP A 81 27.773 36.059 4.955 1.00 0.00 ATOM 380 CG ASP A 81 28.054 34.903 4.015 1.00 0.00 ATOM 381 OD1 ASP A 81 27.946 35.096 2.786 1.00 0.00 ATOM 382 OD2 ASP A 81 28.384 33.804 4.508 1.00 0.00 ATOM 383 O ASP A 81 27.811 38.912 6.105 1.00 0.00 ATOM 384 C ASP A 81 27.155 38.453 5.170 1.00 0.00 ATOM 385 N LEU A 82 25.910 38.827 4.901 1.00 0.00 ATOM 386 CA LEU A 82 25.218 39.776 5.781 1.00 0.00 ATOM 387 CB LEU A 82 25.548 41.216 5.382 1.00 0.00 ATOM 388 CG LEU A 82 25.189 41.622 3.951 1.00 0.00 ATOM 389 CD1 LEU A 82 23.735 42.057 3.864 1.00 0.00 ATOM 390 CD2 LEU A 82 26.060 42.779 3.486 1.00 0.00 ATOM 391 O LEU A 82 23.083 39.191 4.806 1.00 0.00 ATOM 392 C LEU A 82 23.695 39.672 5.768 1.00 0.00 ATOM 393 N VAL A 83 23.090 40.121 6.868 1.00 0.00 ATOM 394 CA VAL A 83 21.641 40.238 6.976 1.00 0.00 ATOM 395 CB VAL A 83 21.029 39.024 7.700 1.00 0.00 ATOM 396 CG1 VAL A 83 19.523 39.188 7.835 1.00 0.00 ATOM 397 CG2 VAL A 83 21.306 37.746 6.924 1.00 0.00 ATOM 398 O VAL A 83 22.019 41.808 8.686 1.00 0.00 ATOM 399 C VAL A 83 21.306 41.487 7.756 1.00 0.00 ATOM 400 N LEU A 84 20.226 42.169 7.379 1.00 0.00 ATOM 401 CA LEU A 84 19.617 43.203 8.237 1.00 0.00 ATOM 402 CB LEU A 84 19.644 44.564 7.538 1.00 0.00 ATOM 403 CG LEU A 84 18.985 45.724 8.287 1.00 0.00 ATOM 404 CD1 LEU A 84 19.758 46.054 9.554 1.00 0.00 ATOM 405 CD2 LEU A 84 18.944 46.971 7.417 1.00 0.00 ATOM 406 O LEU A 84 17.460 42.430 7.566 1.00 0.00 ATOM 407 C LEU A 84 18.181 42.779 8.501 1.00 0.00 ATOM 408 N VAL A 85 17.790 42.819 9.771 1.00 0.00 ATOM 409 CA VAL A 85 16.453 42.461 10.202 1.00 0.00 ATOM 410 CB VAL A 85 16.485 41.393 11.311 1.00 0.00 ATOM 411 CG1 VAL A 85 15.073 41.056 11.766 1.00 0.00 ATOM 412 CG2 VAL A 85 17.143 40.119 10.805 1.00 0.00 ATOM 413 O VAL A 85 16.188 44.253 11.753 1.00 0.00 ATOM 414 C VAL A 85 15.764 43.709 10.739 1.00 0.00 ATOM 415 N GLU A 86 14.734 44.171 10.030 1.00 0.00 ATOM 416 CA GLU A 86 14.027 45.405 10.405 1.00 0.00 ATOM 417 CB GLU A 86 13.746 46.259 9.167 1.00 0.00 ATOM 418 CG GLU A 86 14.995 46.783 8.478 1.00 0.00 ATOM 419 CD GLU A 86 14.677 47.626 7.258 1.00 0.00 ATOM 420 OE1 GLU A 86 13.486 47.720 6.895 1.00 0.00 ATOM 421 OE2 GLU A 86 15.619 48.192 6.665 1.00 0.00 ATOM 422 O GLU A 86 12.003 44.197 10.595 1.00 0.00 ATOM 423 C GLU A 86 12.713 45.073 11.068 1.00 0.00 ATOM 424 N GLY A 87 12.335 45.826 12.093 1.00 0.00 ATOM 425 CA GLY A 87 11.007 45.673 12.647 1.00 0.00 ATOM 426 O GLY A 87 11.258 47.707 13.918 1.00 0.00 ATOM 427 C GLY A 87 10.616 46.666 13.723 1.00 0.00 ATOM 428 N THR A 88 9.533 46.319 14.403 1.00 0.00 ATOM 429 CA THR A 88 8.909 47.201 15.378 1.00 0.00 ATOM 430 CB THR A 88 7.374 47.074 15.353 1.00 0.00 ATOM 431 CG2 THR A 88 6.748 47.984 16.398 1.00 0.00 ATOM 432 OG1 THR A 88 6.882 47.445 14.060 1.00 0.00 ATOM 433 O THR A 88 9.437 45.616 17.095 1.00 0.00 ATOM 434 C THR A 88 9.430 46.802 16.740 1.00 0.00 ATOM 435 N ALA A 89 9.860 47.802 17.514 1.00 0.00 ATOM 436 CA ALA A 89 10.560 47.541 18.777 1.00 0.00 ATOM 437 CB ALA A 89 11.894 48.272 18.805 1.00 0.00 ATOM 438 O ALA A 89 9.028 48.998 19.918 1.00 0.00 ATOM 439 C ALA A 89 9.760 48.001 19.988 1.00 0.00 ATOM 440 N LEU A 90 9.910 47.268 21.093 1.00 0.00 ATOM 441 CA LEU A 90 9.350 47.676 22.391 1.00 0.00 ATOM 442 CB LEU A 90 7.963 47.063 22.593 1.00 0.00 ATOM 443 CG LEU A 90 7.921 45.562 22.887 1.00 0.00 ATOM 444 CD1 LEU A 90 6.541 45.148 23.374 1.00 0.00 ATOM 445 CD2 LEU A 90 8.245 44.760 21.636 1.00 0.00 ATOM 446 O LEU A 90 11.078 46.267 23.248 1.00 0.00 ATOM 447 C LEU A 90 10.293 47.186 23.482 1.00 0.00 ATOM 448 N PRO A 91 10.210 47.803 24.658 1.00 0.00 ATOM 449 CA PRO A 91 11.040 47.411 25.781 1.00 0.00 ATOM 450 CB PRO A 91 11.538 48.739 26.355 1.00 0.00 ATOM 451 CG PRO A 91 10.444 49.709 26.055 1.00 0.00 ATOM 452 CD PRO A 91 9.766 49.202 24.814 1.00 0.00 ATOM 453 O PRO A 91 9.119 47.087 27.178 1.00 0.00 ATOM 454 C PRO A 91 10.196 46.633 26.779 1.00 0.00 ATOM 455 N LEU A 92 10.696 45.475 27.186 1.00 0.00 ATOM 456 CA LEU A 92 9.983 44.611 28.127 1.00 0.00 ATOM 457 CB LEU A 92 9.727 43.237 27.505 1.00 0.00 ATOM 458 CG LEU A 92 8.884 43.217 26.228 1.00 0.00 ATOM 459 CD1 LEU A 92 8.819 41.813 25.648 1.00 0.00 ATOM 460 CD2 LEU A 92 7.464 43.681 26.514 1.00 0.00 ATOM 461 O LEU A 92 11.969 43.965 29.306 1.00 0.00 ATOM 462 C LEU A 92 10.838 44.448 29.383 1.00 0.00 ATOM 463 N GLU A 93 10.301 44.875 30.524 1.00 0.00 ATOM 464 CA GLU A 93 11.026 44.763 31.789 1.00 0.00 ATOM 465 CB GLU A 93 10.988 46.091 32.548 1.00 0.00 ATOM 466 CG GLU A 93 11.684 47.236 31.829 1.00 0.00 ATOM 467 CD GLU A 93 11.634 48.532 32.614 1.00 0.00 ATOM 468 OE1 GLU A 93 11.105 48.522 33.745 1.00 0.00 ATOM 469 OE2 GLU A 93 12.126 49.558 32.099 1.00 0.00 ATOM 470 O GLU A 93 10.851 43.567 33.861 1.00 0.00 ATOM 471 C GLU A 93 10.434 43.692 32.712 1.00 0.00 ATOM 472 N PRO A 94 9.473 42.920 32.202 1.00 0.00 ATOM 473 CA PRO A 94 8.875 41.834 32.992 1.00 0.00 ATOM 474 CB PRO A 94 7.833 41.223 32.053 1.00 0.00 ATOM 475 CG PRO A 94 7.480 42.330 31.117 1.00 0.00 ATOM 476 CD PRO A 94 8.753 43.089 30.869 1.00 0.00 ATOM 477 O PRO A 94 10.758 40.393 32.553 1.00 0.00 ATOM 478 C PRO A 94 9.953 40.824 33.385 1.00 0.00 ATOM 479 N ALA A 95 9.977 40.440 34.656 1.00 0.00 ATOM 480 CA ALA A 95 11.054 39.574 35.147 1.00 0.00 ATOM 481 CB ALA A 95 10.848 39.256 36.620 1.00 0.00 ATOM 482 O ALA A 95 12.233 37.756 34.091 1.00 0.00 ATOM 483 C ALA A 95 11.134 38.232 34.399 1.00 0.00 ATOM 484 N GLY A 96 9.987 37.636 34.081 1.00 0.00 ATOM 485 CA GLY A 96 9.987 36.380 33.329 1.00 0.00 ATOM 486 O GLY A 96 11.287 35.720 31.411 1.00 0.00 ATOM 487 C GLY A 96 10.512 36.549 31.892 1.00 0.00 ATOM 488 N LEU A 97 10.117 37.640 31.240 1.00 0.00 ATOM 489 CA LEU A 97 10.604 37.960 29.891 1.00 0.00 ATOM 490 CB LEU A 97 9.943 39.238 29.372 1.00 0.00 ATOM 491 CG LEU A 97 8.451 39.145 29.045 1.00 0.00 ATOM 492 CD1 LEU A 97 7.886 40.519 28.717 1.00 0.00 ATOM 493 CD2 LEU A 97 8.219 38.237 27.847 1.00 0.00 ATOM 494 O LEU A 97 12.842 37.722 29.008 1.00 0.00 ATOM 495 C LEU A 97 12.122 38.170 29.909 1.00 0.00 ATOM 496 N PRO A 98 12.603 38.869 30.937 1.00 0.00 ATOM 497 CA PRO A 98 14.035 39.112 31.075 1.00 0.00 ATOM 498 CB PRO A 98 14.140 40.019 32.303 1.00 0.00 ATOM 499 CG PRO A 98 12.853 40.774 32.320 1.00 0.00 ATOM 500 CD PRO A 98 11.789 39.793 31.916 1.00 0.00 ATOM 501 O PRO A 98 15.828 37.580 30.616 1.00 0.00 ATOM 502 C PRO A 98 14.807 37.807 31.281 1.00 0.00 ATOM 503 N ASP A 99 14.316 36.941 32.172 1.00 0.00 ATOM 504 CA ASP A 99 14.968 35.639 32.365 1.00 0.00 ATOM 505 CB ASP A 99 14.200 34.802 33.390 1.00 0.00 ATOM 506 CG ASP A 99 14.370 35.314 34.806 1.00 0.00 ATOM 507 OD1 ASP A 99 15.262 36.160 35.029 1.00 0.00 ATOM 508 OD2 ASP A 99 13.612 34.870 35.694 1.00 0.00 ATOM 509 O ASP A 99 16.046 34.322 30.677 1.00 0.00 ATOM 510 C ASP A 99 15.012 34.875 31.045 1.00 0.00 ATOM 511 N GLY A 100 13.892 34.854 30.330 1.00 0.00 ATOM 512 CA GLY A 100 13.815 34.074 29.096 1.00 0.00 ATOM 513 O GLY A 100 15.514 33.828 27.407 1.00 0.00 ATOM 514 C GLY A 100 14.816 34.605 28.064 1.00 0.00 ATOM 515 N VAL A 101 14.892 35.931 27.948 1.00 0.00 ATOM 516 CA VAL A 101 15.841 36.555 27.036 1.00 0.00 ATOM 517 CB VAL A 101 15.659 38.084 26.991 1.00 0.00 ATOM 518 CG1 VAL A 101 16.781 38.730 26.193 1.00 0.00 ATOM 519 CG2 VAL A 101 14.334 38.443 26.336 1.00 0.00 ATOM 520 O VAL A 101 18.165 36.085 26.592 1.00 0.00 ATOM 521 C VAL A 101 17.292 36.281 27.453 1.00 0.00 ATOM 522 N GLY A 102 17.557 36.268 28.761 1.00 0.00 ATOM 523 CA GLY A 102 18.895 35.957 29.249 1.00 0.00 ATOM 524 O GLY A 102 20.435 34.330 28.410 1.00 0.00 ATOM 525 C GLY A 102 19.306 34.548 28.827 1.00 0.00 ATOM 526 N ASP A 103 18.363 33.611 28.922 1.00 0.00 ATOM 527 CA ASP A 103 18.646 32.228 28.551 1.00 0.00 ATOM 528 CB ASP A 103 17.507 31.310 28.998 1.00 0.00 ATOM 529 CG ASP A 103 17.485 31.096 30.499 1.00 0.00 ATOM 530 OD1 ASP A 103 18.481 31.450 31.163 1.00 0.00 ATOM 531 OD2 ASP A 103 16.471 30.575 31.010 1.00 0.00 ATOM 532 O ASP A 103 19.708 31.339 26.585 1.00 0.00 ATOM 533 C ASP A 103 18.811 32.055 27.034 1.00 0.00 ATOM 534 N THR A 104 17.994 32.743 26.242 1.00 0.00 ATOM 535 CA THR A 104 18.193 32.734 24.790 1.00 0.00 ATOM 536 CB THR A 104 17.129 33.582 24.069 1.00 0.00 ATOM 537 CG2 THR A 104 15.737 33.032 24.340 1.00 0.00 ATOM 538 OG1 THR A 104 17.192 34.934 24.539 1.00 0.00 ATOM 539 O THR A 104 20.284 32.783 23.569 1.00 0.00 ATOM 540 C THR A 104 19.571 33.304 24.429 1.00 0.00 ATOM 541 N PHE A 105 19.950 34.378 25.121 1.00 0.00 ATOM 542 CA PHE A 105 21.255 34.990 24.933 1.00 0.00 ATOM 543 CB PHE A 105 21.411 36.209 25.844 1.00 0.00 ATOM 544 CG PHE A 105 22.753 36.877 25.739 1.00 0.00 ATOM 545 CD1 PHE A 105 23.037 37.730 24.687 1.00 0.00 ATOM 546 CD2 PHE A 105 23.731 36.651 26.691 1.00 0.00 ATOM 547 CE1 PHE A 105 24.271 38.344 24.590 1.00 0.00 ATOM 548 CE2 PHE A 105 24.965 37.265 26.595 1.00 0.00 ATOM 549 CZ PHE A 105 25.237 38.108 25.550 1.00 0.00 ATOM 550 O PHE A 105 23.315 33.852 24.484 1.00 0.00 ATOM 551 C PHE A 105 22.381 34.007 25.260 1.00 0.00 ATOM 552 N ALA A 106 22.247 33.318 26.392 1.00 0.00 ATOM 553 CA ALA A 106 23.246 32.347 26.830 1.00 0.00 ATOM 554 CB ALA A 106 22.845 31.739 28.165 1.00 0.00 ATOM 555 O ALA A 106 24.531 30.707 25.616 1.00 0.00 ATOM 556 C ALA A 106 23.409 31.201 25.826 1.00 0.00 ATOM 557 N GLU A 107 22.303 30.830 25.188 1.00 0.00 ATOM 558 CA GLU A 107 22.239 29.774 24.165 1.00 0.00 ATOM 559 CB GLU A 107 20.808 29.615 23.648 1.00 0.00 ATOM 560 CG GLU A 107 19.850 28.997 24.654 1.00 0.00 ATOM 561 CD GLU A 107 18.419 28.968 24.154 1.00 0.00 ATOM 562 OE1 GLU A 107 18.164 29.497 23.052 1.00 0.00 ATOM 563 OE2 GLU A 107 17.553 28.415 24.864 1.00 0.00 ATOM 564 O GLU A 107 23.761 29.224 22.399 1.00 0.00 ATOM 565 C GLU A 107 23.144 30.115 22.978 1.00 0.00 ATOM 566 N LYS A 108 23.237 31.406 22.629 1.00 0.00 ATOM 567 CA LYS A 108 24.062 31.853 21.495 1.00 0.00 ATOM 568 CB LYS A 108 23.384 33.013 20.763 1.00 0.00 ATOM 569 CG LYS A 108 24.150 33.515 19.551 1.00 0.00 ATOM 570 CD LYS A 108 23.383 34.609 18.827 1.00 0.00 ATOM 571 CE LYS A 108 24.116 35.062 17.574 1.00 0.00 ATOM 572 NZ LYS A 108 23.366 36.119 16.843 1.00 0.00 ATOM 573 O LYS A 108 26.429 32.175 21.149 1.00 0.00 ATOM 574 C LYS A 108 25.454 32.343 21.894 1.00 0.00 ATOM 575 N THR A 109 25.527 32.988 23.052 1.00 0.00 ATOM 576 CA THR A 109 26.714 33.845 23.700 1.00 0.00 ATOM 577 CB THR A 109 26.917 33.495 25.186 1.00 0.00 ATOM 578 CG2 THR A 109 28.055 34.314 25.776 1.00 0.00 ATOM 579 OG1 THR A 109 25.715 33.778 25.914 1.00 0.00 ATOM 580 O THR A 109 28.726 33.923 22.403 1.00 0.00 ATOM 581 C THR A 109 27.725 33.280 22.715 1.00 0.00 ATOM 582 N GLY A 110 27.526 32.371 22.347 1.00 0.00 ATOM 583 CA GLY A 110 28.451 31.811 21.500 1.00 0.00 ATOM 584 O GLY A 110 26.617 30.349 21.017 1.00 0.00 ATOM 585 C GLY A 110 27.678 30.837 20.627 1.00 0.00 ATOM 586 N PHE A 111 28.193 30.563 19.481 1.00 0.00 ATOM 587 CA PHE A 111 27.796 29.719 18.594 1.00 0.00 ATOM 588 CB PHE A 111 28.940 29.365 17.641 1.00 0.00 ATOM 589 CG PHE A 111 28.572 28.339 16.608 1.00 0.00 ATOM 590 CD1 PHE A 111 27.892 28.705 15.459 1.00 0.00 ATOM 591 CD2 PHE A 111 28.906 27.008 16.784 1.00 0.00 ATOM 592 CE1 PHE A 111 27.554 27.761 14.508 1.00 0.00 ATOM 593 CE2 PHE A 111 28.568 26.064 15.833 1.00 0.00 ATOM 594 CZ PHE A 111 27.895 26.435 14.699 1.00 0.00 ATOM 595 O PHE A 111 27.876 27.770 19.983 1.00 0.00 ATOM 596 C PHE A 111 27.277 28.383 19.100 1.00 0.00 ATOM 597 N ASP A 112 26.437 28.043 18.677 1.00 0.00 ATOM 598 CA ASP A 112 20.307 21.248 16.202 1.00 0.00 ATOM 599 CB ASP A 112 19.949 20.383 17.412 1.00 0.00 ATOM 600 CG ASP A 112 19.120 19.170 17.036 1.00 0.00 ATOM 601 OD1 ASP A 112 18.810 19.011 15.837 1.00 0.00 ATOM 602 OD2 ASP A 112 18.780 18.380 17.941 1.00 0.00 ATOM 603 O ASP A 112 17.977 20.708 16.335 1.00 0.00 ATOM 604 C ASP A 112 18.916 21.055 15.619 1.00 0.00 ATOM 605 N PRO A 113 37.734 42.278 30.257 1.00 0.00 ATOM 606 CA PRO A 113 31.186 37.542 25.553 1.00 0.00 ATOM 607 CB PRO A 113 31.408 37.952 24.096 1.00 0.00 ATOM 608 CG PRO A 113 32.068 39.287 24.180 1.00 0.00 ATOM 609 CD PRO A 113 32.983 39.226 25.370 1.00 0.00 ATOM 610 O PRO A 113 31.672 35.238 25.118 1.00 0.00 ATOM 611 C PRO A 113 30.807 36.088 25.329 1.00 0.00 ATOM 612 N ARG A 114 29.426 35.782 25.379 1.00 0.00 ATOM 613 CA ARG A 114 17.871 25.102 18.277 1.00 0.00 ATOM 614 CB ARG A 114 18.563 24.112 17.338 1.00 0.00 ATOM 615 CG ARG A 114 19.256 24.763 16.152 1.00 0.00 ATOM 616 CD ARG A 114 18.248 25.277 15.137 1.00 0.00 ATOM 617 NE ARG A 114 18.899 25.862 13.967 1.00 0.00 ATOM 618 CZ ARG A 114 18.249 26.422 12.952 1.00 0.00 ATOM 619 NH1 ARG A 114 18.925 26.928 11.930 1.00 0.00 ATOM 620 NH2 ARG A 114 16.924 26.474 12.962 1.00 0.00 ATOM 621 O ARG A 114 17.231 23.934 20.225 1.00 0.00 ATOM 622 C ARG A 114 17.809 24.928 19.786 1.00 0.00 ATOM 623 N ARG A 115 26.131 38.337 32.734 1.00 0.00 ATOM 624 CA ARG A 115 26.353 38.769 34.122 1.00 0.00 ATOM 625 CB ARG A 115 27.231 40.021 34.159 1.00 0.00 ATOM 626 CG ARG A 115 27.571 40.499 35.562 1.00 0.00 ATOM 627 CD ARG A 115 28.448 41.741 35.525 1.00 0.00 ATOM 628 NE ARG A 115 28.733 42.249 36.864 1.00 0.00 ATOM 629 CZ ARG A 115 29.495 43.309 37.114 1.00 0.00 ATOM 630 NH1 ARG A 115 29.699 43.699 38.365 1.00 0.00 ATOM 631 NH2 ARG A 115 30.051 43.977 36.113 1.00 0.00 ATOM 632 O ARG A 115 24.121 39.682 34.154 1.00 0.00 ATOM 633 C ARG A 115 25.004 39.089 34.788 1.00 0.00 ATOM 634 N LEU A 116 24.823 38.692 36.063 1.00 0.00 ATOM 635 CA LEU A 116 23.580 39.056 36.753 1.00 0.00 ATOM 636 CB LEU A 116 23.608 38.564 38.202 1.00 0.00 ATOM 637 CG LEU A 116 23.583 37.048 38.403 1.00 0.00 ATOM 638 CD1 LEU A 116 23.748 36.699 39.875 1.00 0.00 ATOM 639 CD2 LEU A 116 22.265 36.463 37.921 1.00 0.00 ATOM 640 O LEU A 116 24.382 41.296 36.902 1.00 0.00 ATOM 641 C LEU A 116 23.405 40.568 36.757 1.00 0.00 ATOM 642 N THR A 117 22.177 41.036 36.565 1.00 0.00 ATOM 643 CA THR A 117 21.899 42.469 36.479 1.00 0.00 ATOM 644 CB THR A 117 22.298 43.040 35.105 1.00 0.00 ATOM 645 CG2 THR A 117 22.031 44.536 35.053 1.00 0.00 ATOM 646 OG1 THR A 117 23.693 42.809 34.876 1.00 0.00 ATOM 647 O THR A 117 19.606 42.497 35.757 1.00 0.00 ATOM 648 C THR A 117 20.401 42.697 36.690 1.00 0.00 ATOM 649 N THR A 118 19.983 43.077 37.918 1.00 0.00 ATOM 650 CA THR A 118 18.558 43.294 38.202 1.00 0.00 ATOM 651 CB THR A 118 18.325 43.649 39.682 1.00 0.00 ATOM 652 CG2 THR A 118 18.827 42.531 40.583 1.00 0.00 ATOM 653 OG1 THR A 118 19.029 44.855 40.004 1.00 0.00 ATOM 654 O THR A 118 16.682 44.529 37.384 1.00 0.00 ATOM 655 C THR A 118 17.909 44.423 37.403 1.00 0.00 ATOM 656 N SER A 119 18.726 45.261 36.763 1.00 0.00 ATOM 657 CA SER A 119 18.228 46.363 35.959 1.00 0.00 ATOM 658 CB SER A 119 19.196 47.547 36.014 1.00 0.00 ATOM 659 OG SER A 119 20.435 47.221 35.408 1.00 0.00 ATOM 660 O SER A 119 17.632 46.832 33.671 1.00 0.00 ATOM 661 C SER A 119 18.050 45.994 34.483 1.00 0.00 ATOM 662 N TYR A 120 18.383 44.753 34.131 1.00 0.00 ATOM 663 CA TYR A 120 18.302 44.339 32.730 1.00 0.00 ATOM 664 CB TYR A 120 18.774 42.893 32.571 1.00 0.00 ATOM 665 CG TYR A 120 18.695 42.375 31.152 1.00 0.00 ATOM 666 CD1 TYR A 120 19.648 42.737 30.209 1.00 0.00 ATOM 667 CD2 TYR A 120 17.668 41.526 30.761 1.00 0.00 ATOM 668 CE1 TYR A 120 19.584 42.269 28.910 1.00 0.00 ATOM 669 CE2 TYR A 120 17.587 41.048 29.467 1.00 0.00 ATOM 670 CZ TYR A 120 18.557 41.428 28.540 1.00 0.00 ATOM 671 OH TYR A 120 18.491 40.960 27.247 1.00 0.00 ATOM 672 O TYR A 120 15.879 44.102 32.914 1.00 0.00 ATOM 673 C TYR A 120 16.857 44.429 32.202 1.00 0.00 ATOM 674 N LEU A 121 16.735 44.909 30.958 1.00 0.00 ATOM 675 CA LEU A 121 15.472 44.892 30.207 1.00 0.00 ATOM 676 CB LEU A 121 14.936 46.314 30.028 1.00 0.00 ATOM 677 CG LEU A 121 15.914 47.340 29.453 1.00 0.00 ATOM 678 CD1 LEU A 121 16.088 47.137 27.956 1.00 0.00 ATOM 679 CD2 LEU A 121 15.407 48.755 29.685 1.00 0.00 ATOM 680 O LEU A 121 16.876 44.087 28.413 1.00 0.00 ATOM 681 C LEU A 121 15.729 44.268 28.830 1.00 0.00 ATOM 682 N TYR A 122 14.649 43.945 28.129 1.00 0.00 ATOM 683 CA TYR A 122 14.752 43.333 26.807 1.00 0.00 ATOM 684 CB TYR A 122 14.014 41.993 26.778 1.00 0.00 ATOM 685 CG TYR A 122 14.626 40.937 27.671 1.00 0.00 ATOM 686 CD1 TYR A 122 14.205 40.787 28.986 1.00 0.00 ATOM 687 CD2 TYR A 122 15.622 40.094 27.195 1.00 0.00 ATOM 688 CE1 TYR A 122 14.759 39.825 29.809 1.00 0.00 ATOM 689 CE2 TYR A 122 16.187 39.126 28.004 1.00 0.00 ATOM 690 CZ TYR A 122 15.746 38.997 29.320 1.00 0.00 ATOM 691 OH TYR A 122 16.299 38.038 30.138 1.00 0.00 ATOM 692 O TYR A 122 13.015 44.680 25.907 1.00 0.00 ATOM 693 C TYR A 122 14.144 44.240 25.763 1.00 0.00 ATOM 694 N PHE A 123 14.909 44.533 24.717 1.00 0.00 ATOM 695 CA PHE A 123 14.353 45.167 23.536 1.00 0.00 ATOM 696 CB PHE A 123 15.420 45.998 22.822 1.00 0.00 ATOM 697 CG PHE A 123 15.840 47.226 23.579 1.00 0.00 ATOM 698 CD1 PHE A 123 16.953 47.203 24.401 1.00 0.00 ATOM 699 CD2 PHE A 123 15.121 48.404 23.469 1.00 0.00 ATOM 700 CE1 PHE A 123 17.339 48.332 25.097 1.00 0.00 ATOM 701 CE2 PHE A 123 15.507 49.533 24.165 1.00 0.00 ATOM 702 CZ PHE A 123 16.611 49.501 24.977 1.00 0.00 ATOM 703 O PHE A 123 14.660 43.262 22.118 1.00 0.00 ATOM 704 C PHE A 123 13.856 44.055 22.623 1.00 0.00 ATOM 705 N ARG A 124 12.537 44.002 22.409 1.00 0.00 ATOM 706 CA ARG A 124 11.936 42.965 21.564 1.00 0.00 ATOM 707 CB ARG A 124 10.678 42.398 22.225 1.00 0.00 ATOM 708 CG ARG A 124 10.041 41.247 21.462 1.00 0.00 ATOM 709 CD ARG A 124 8.821 40.710 22.192 1.00 0.00 ATOM 710 NE ARG A 124 8.223 39.574 21.495 1.00 0.00 ATOM 711 CZ ARG A 124 7.053 39.031 21.817 1.00 0.00 ATOM 712 NH1 ARG A 124 6.588 37.999 21.126 1.00 0.00 ATOM 713 NH2 ARG A 124 6.352 39.521 22.830 1.00 0.00 ATOM 714 O ARG A 124 10.837 44.573 20.173 1.00 0.00 ATOM 715 C ARG A 124 11.563 43.575 20.219 1.00 0.00 ATOM 716 N ILE A 125 12.054 42.977 19.139 1.00 0.00 ATOM 717 CA ILE A 125 11.838 43.548 17.800 1.00 0.00 ATOM 718 CB ILE A 125 13.172 43.859 17.097 1.00 0.00 ATOM 719 CG1 ILE A 125 13.980 44.872 17.911 1.00 0.00 ATOM 720 CG2 ILE A 125 12.923 44.441 15.714 1.00 0.00 ATOM 721 CD1 ILE A 125 15.387 45.085 17.397 1.00 0.00 ATOM 722 O ILE A 125 11.520 41.396 16.756 1.00 0.00 ATOM 723 C ILE A 125 11.057 42.522 16.973 1.00 0.00 ATOM 724 N SER A 126 9.878 42.929 16.512 1.00 0.00 ATOM 725 CA SER A 126 9.058 42.072 15.668 1.00 0.00 ATOM 726 CB SER A 126 7.579 42.438 15.809 1.00 0.00 ATOM 727 OG SER A 126 6.774 41.645 14.954 1.00 0.00 ATOM 728 O SER A 126 9.202 43.298 13.656 1.00 0.00 ATOM 729 C SER A 126 9.511 42.282 14.245 1.00 0.00 ATOM 730 N PRO A 127 10.255 41.323 13.703 1.00 0.00 ATOM 731 CA PRO A 127 10.876 41.497 12.389 1.00 0.00 ATOM 732 CB PRO A 127 11.871 40.338 12.293 1.00 0.00 ATOM 733 CG PRO A 127 12.105 39.930 13.709 1.00 0.00 ATOM 734 CD PRO A 127 10.802 40.144 14.426 1.00 0.00 ATOM 735 O PRO A 127 9.096 40.474 11.166 1.00 0.00 ATOM 736 C PRO A 127 9.860 41.436 11.255 1.00 0.00 ATOM 737 N ARG A 128 9.869 42.467 10.402 1.00 0.00 ATOM 738 CA ARG A 128 8.958 42.582 9.248 1.00 0.00 ATOM 739 CB ARG A 128 8.281 43.954 9.234 1.00 0.00 ATOM 740 CG ARG A 128 7.406 44.227 10.447 1.00 0.00 ATOM 741 CD ARG A 128 6.804 45.621 10.390 1.00 0.00 ATOM 742 NE ARG A 128 7.784 46.654 10.718 1.00 0.00 ATOM 743 CZ ARG A 128 7.528 47.958 10.704 1.00 0.00 ATOM 744 NH1 ARG A 128 8.482 48.825 11.017 1.00 0.00 ATOM 745 NH2 ARG A 128 6.319 48.393 10.376 1.00 0.00 ATOM 746 O ARG A 128 9.071 41.975 6.938 1.00 0.00 ATOM 747 C ARG A 128 9.674 42.418 7.911 1.00 0.00 ATOM 748 N ARG A 129 10.936 42.833 7.854 1.00 0.00 ATOM 749 CA ARG A 129 11.673 42.871 6.589 1.00 0.00 ATOM 750 CB ARG A 129 11.747 44.303 6.055 1.00 0.00 ATOM 751 CG ARG A 129 10.394 44.913 5.726 1.00 0.00 ATOM 752 CD ARG A 129 9.777 44.260 4.499 1.00 0.00 ATOM 753 NE ARG A 129 8.525 44.903 4.108 1.00 0.00 ATOM 754 CZ ARG A 129 7.334 44.579 4.599 1.00 0.00 ATOM 755 NH1 ARG A 129 6.249 45.219 4.184 1.00 0.00 ATOM 756 NH2 ARG A 129 7.229 43.616 5.504 1.00 0.00 ATOM 757 O ARG A 129 13.697 42.688 7.807 1.00 0.00 ATOM 758 C ARG A 129 13.067 42.360 6.805 1.00 0.00 ATOM 759 N VAL A 130 13.546 41.569 5.853 1.00 0.00 ATOM 760 CA VAL A 130 14.927 41.104 5.877 1.00 0.00 ATOM 761 CB VAL A 130 15.005 39.577 6.064 1.00 0.00 ATOM 762 CG1 VAL A 130 16.454 39.113 6.051 1.00 0.00 ATOM 763 CG2 VAL A 130 14.382 39.170 7.390 1.00 0.00 ATOM 764 O VAL A 130 15.108 41.154 3.477 1.00 0.00 ATOM 765 C VAL A 130 15.629 41.455 4.567 1.00 0.00 ATOM 766 N GLN A 131 16.769 42.134 4.697 1.00 0.00 ATOM 767 CA GLN A 131 17.706 42.386 3.584 1.00 0.00 ATOM 768 CB GLN A 131 18.075 43.869 3.519 1.00 0.00 ATOM 769 CG GLN A 131 16.884 44.798 3.347 1.00 0.00 ATOM 770 CD GLN A 131 16.166 44.587 2.029 1.00 0.00 ATOM 771 OE1 GLN A 131 16.789 44.573 0.967 1.00 0.00 ATOM 772 NE2 GLN A 131 14.850 44.421 2.093 1.00 0.00 ATOM 773 O GLN A 131 19.264 41.219 4.964 1.00 0.00 ATOM 774 C GLN A 131 18.956 41.563 3.818 1.00 0.00 ATOM 775 N ALA A 132 19.689 41.247 2.750 1.00 0.00 ATOM 776 CA ALA A 132 20.957 40.554 2.944 1.00 0.00 ATOM 777 CB ALA A 132 20.745 39.273 3.736 1.00 0.00 ATOM 778 O ALA A 132 21.196 40.435 0.562 1.00 0.00 ATOM 779 C ALA A 132 21.662 40.150 1.672 1.00 0.00 ATOM 780 N TRP A 133 22.799 39.500 1.848 1.00 0.00 ATOM 781 CA TRP A 133 23.549 38.957 0.723 1.00 0.00 ATOM 782 CB TRP A 133 24.878 38.367 1.200 1.00 0.00 ATOM 783 CG TRP A 133 25.733 37.841 0.088 1.00 0.00 ATOM 784 CD1 TRP A 133 25.933 36.532 -0.243 1.00 0.00 ATOM 785 CD2 TRP A 133 26.506 38.613 -0.840 1.00 0.00 ATOM 786 CE2 TRP A 133 27.148 37.705 -1.705 1.00 0.00 ATOM 787 CE3 TRP A 133 26.717 39.983 -1.024 1.00 0.00 ATOM 788 NE1 TRP A 133 26.782 36.439 -1.319 1.00 0.00 ATOM 789 CZ2 TRP A 133 27.986 38.122 -2.737 1.00 0.00 ATOM 790 CZ3 TRP A 133 27.549 40.392 -2.049 1.00 0.00 ATOM 791 CH2 TRP A 133 28.174 39.468 -2.893 1.00 0.00 ATOM 792 O TRP A 133 21.922 37.155 0.671 1.00 0.00 ATOM 793 C TRP A 133 22.741 37.854 0.039 1.00 0.00 ATOM 794 N ARG A 134 22.975 37.716 -1.268 1.00 0.00 ATOM 795 CA ARG A 134 22.173 36.848 -2.128 1.00 0.00 ATOM 796 CB ARG A 134 22.631 36.964 -3.583 1.00 0.00 ATOM 797 CG ARG A 134 22.282 38.290 -4.239 1.00 0.00 ATOM 798 CD ARG A 134 22.840 38.371 -5.651 1.00 0.00 ATOM 799 NE ARG A 134 22.534 39.650 -6.288 1.00 0.00 ATOM 800 CZ ARG A 134 22.995 40.021 -7.478 1.00 0.00 ATOM 801 NH1 ARG A 134 22.663 41.203 -7.978 1.00 0.00 ATOM 802 NH2 ARG A 134 23.788 39.209 -8.165 1.00 0.00 ATOM 803 O ARG A 134 21.298 34.625 -1.901 1.00 0.00 ATOM 804 C ARG A 134 22.271 35.375 -1.741 1.00 0.00 ATOM 805 N GLU A 135 23.439 34.984 -1.235 1.00 0.00 ATOM 806 CA GLU A 135 23.695 33.620 -0.758 1.00 0.00 ATOM 807 CB GLU A 135 25.160 33.462 -0.348 1.00 0.00 ATOM 808 CG GLU A 135 26.135 33.461 -1.514 1.00 0.00 ATOM 809 CD GLU A 135 27.581 33.393 -1.065 1.00 0.00 ATOM 810 OE1 GLU A 135 27.826 33.434 0.159 1.00 0.00 ATOM 811 OE2 GLU A 135 28.470 33.297 -1.937 1.00 0.00 ATOM 812 O GLU A 135 22.777 32.023 0.781 1.00 0.00 ATOM 813 C GLU A 135 22.853 33.215 0.461 1.00 0.00 ATOM 814 N ALA A 136 22.250 34.195 1.144 1.00 0.00 ATOM 815 CA ALA A 136 21.436 33.940 2.350 1.00 0.00 ATOM 816 CB ALA A 136 21.828 34.896 3.466 1.00 0.00 ATOM 817 O ALA A 136 19.129 33.645 2.961 1.00 0.00 ATOM 818 C ALA A 136 19.927 34.111 2.142 1.00 0.00 ATOM 819 N ASN A 137 19.531 34.777 1.062 1.00 0.00 ATOM 820 CA ASN A 137 18.107 34.941 0.758 1.00 0.00 ATOM 821 CB ASN A 137 17.847 36.313 0.134 1.00 0.00 ATOM 822 CG ASN A 137 18.087 37.451 1.107 1.00 0.00 ATOM 823 ND2 ASN A 137 18.464 38.610 0.579 1.00 0.00 ATOM 824 OD1 ASN A 137 17.936 37.288 2.317 1.00 0.00 ATOM 825 O ASN A 137 18.216 33.639 -1.274 1.00 0.00 ATOM 826 C ASN A 137 17.597 33.879 -0.230 1.00 0.00 ATOM 827 N GLU 138 16.478 33.244 0.137 1.00 0.00 ATOM 828 CA GLU 138 15.859 32.104 -0.587 1.00 0.00 ENDMDL