USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 291 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 178 SER OG : rot -75:sc= 0.847 USER MOD Single : B 178 SER OG : rot -57:sc= 0.782 USER MOD Single : C 178 SER OG : rot -69:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 52 N LEU A 174 85.639 6.163 1.041 1.00 0.00 N ATOM 53 CA LEU A 174 84.162 6.230 0.848 1.00 0.00 C ATOM 54 C LEU A 174 83.438 6.067 2.183 1.00 0.00 C ATOM 55 O LEU A 174 82.456 6.727 2.436 1.00 0.00 O ATOM 56 CB LEU A 174 83.728 5.111 -0.141 1.00 0.00 C ATOM 57 CG LEU A 174 83.396 5.666 -1.545 1.00 0.00 C ATOM 58 CD1 LEU A 174 82.248 6.693 -1.475 1.00 0.00 C ATOM 59 CD2 LEU A 174 84.647 6.300 -2.177 1.00 0.00 C ATOM 0 HA LEU A 174 83.896 7.204 0.437 1.00 0.00 H new ATOM 0 HB2 LEU A 174 84.526 4.373 -0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 174 82.856 4.594 0.259 1.00 0.00 H new ATOM 0 HG LEU A 174 83.069 4.836 -2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 174 82.034 7.068 -2.476 1.00 0.00 H new ATOM 0 HD12 LEU A 174 81.357 6.215 -1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 174 82.541 7.523 -0.831 1.00 0.00 H new ATOM 0 HD21 LEU A 174 84.399 6.687 -3.165 1.00 0.00 H new ATOM 0 HD22 LEU A 174 85.000 7.116 -1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 174 85.430 5.547 -2.268 1.00 0.00 H new ATOM 71 N GLY A 175 83.928 5.171 3.019 1.00 0.00 N ATOM 72 CA GLY A 175 83.286 4.931 4.339 1.00 0.00 C ATOM 73 C GLY A 175 83.261 6.187 5.225 1.00 0.00 C ATOM 74 O GLY A 175 82.299 6.412 5.931 1.00 0.00 O ATOM 0 H GLY A 175 84.751 4.598 2.832 1.00 0.00 H new ATOM 0 HA2 GLY A 175 82.266 4.581 4.184 1.00 0.00 H new ATOM 0 HA3 GLY A 175 83.820 4.136 4.859 1.00 0.00 H new ATOM 78 N TRP A 176 84.347 6.974 5.222 1.00 0.00 N ATOM 79 CA TRP A 176 84.423 8.180 6.108 1.00 0.00 C ATOM 80 C TRP A 176 83.327 9.222 5.847 1.00 0.00 C ATOM 81 O TRP A 176 82.802 9.785 6.787 1.00 0.00 O ATOM 82 CB TRP A 176 85.800 8.842 5.941 1.00 0.00 C ATOM 83 CG TRP A 176 86.845 8.025 6.637 1.00 0.00 C ATOM 84 CD1 TRP A 176 87.444 6.926 6.125 1.00 0.00 C ATOM 85 CD2 TRP A 176 87.420 8.226 7.959 1.00 0.00 C ATOM 86 NE1 TRP A 176 88.352 6.441 7.048 1.00 0.00 N ATOM 87 CE2 TRP A 176 88.374 7.208 8.196 1.00 0.00 C ATOM 88 CE3 TRP A 176 87.209 9.185 8.966 1.00 0.00 C ATOM 89 CZ2 TRP A 176 89.093 7.143 9.390 1.00 0.00 C ATOM 90 CZ3 TRP A 176 87.931 9.123 10.169 1.00 0.00 C ATOM 91 CH2 TRP A 176 88.871 8.104 10.380 1.00 0.00 C ATOM 0 H TRP A 176 85.170 6.818 4.640 1.00 0.00 H new ATOM 0 HA TRP A 176 84.270 7.823 7.126 1.00 0.00 H new ATOM 0 HB2 TRP A 176 86.043 8.934 4.882 1.00 0.00 H new ATOM 0 HB3 TRP A 176 85.781 9.851 6.353 1.00 0.00 H new ATOM 0 HD1 TRP A 176 87.246 6.497 5.154 1.00 0.00 H new ATOM 0 HE1 TRP A 176 88.935 5.617 6.899 1.00 0.00 H new ATOM 0 HE3 TRP A 176 86.487 9.974 8.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 176 89.816 6.356 9.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 176 87.761 9.864 10.936 1.00 0.00 H new ATOM 0 HH2 TRP A 176 89.423 8.062 11.307 1.00 0.00 H new ATOM 102 N LEU A 177 82.979 9.491 4.588 1.00 0.00 N ATOM 103 CA LEU A 177 81.915 10.512 4.329 1.00 0.00 C ATOM 104 C LEU A 177 80.607 10.087 4.981 1.00 0.00 C ATOM 105 O LEU A 177 79.897 10.888 5.550 1.00 0.00 O ATOM 106 CB LEU A 177 81.727 10.751 2.821 1.00 0.00 C ATOM 107 CG LEU A 177 81.053 9.537 2.129 1.00 0.00 C ATOM 108 CD1 LEU A 177 79.535 9.735 2.011 1.00 0.00 C ATOM 109 CD2 LEU A 177 81.621 9.372 0.715 1.00 0.00 C ATOM 0 H LEU A 177 83.382 9.053 3.759 1.00 0.00 H new ATOM 0 HA LEU A 177 82.232 11.456 4.773 1.00 0.00 H new ATOM 0 HB2 LEU A 177 81.119 11.642 2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 177 82.696 10.942 2.359 1.00 0.00 H new ATOM 0 HG LEU A 177 81.255 8.655 2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 177 79.092 8.868 1.522 1.00 0.00 H new ATOM 0 HD12 LEU A 177 79.105 9.850 3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 177 79.329 10.628 1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 177 81.147 8.519 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 177 81.424 10.274 0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 177 82.697 9.205 0.772 1.00 0.00 H new ATOM 121 N SER A 178 80.328 8.799 4.887 1.00 0.00 N ATOM 122 CA SER A 178 79.085 8.205 5.474 1.00 0.00 C ATOM 123 C SER A 178 79.032 8.428 6.989 1.00 0.00 C ATOM 124 O SER A 178 77.993 8.680 7.548 1.00 0.00 O ATOM 125 CB SER A 178 79.006 6.710 5.147 1.00 0.00 C ATOM 126 OG SER A 178 79.511 5.958 6.243 1.00 0.00 O ATOM 0 H SER A 178 80.929 8.124 4.415 1.00 0.00 H new ATOM 0 HA SER A 178 78.225 8.706 5.031 1.00 0.00 H new ATOM 0 HB2 SER A 178 77.974 6.426 4.942 1.00 0.00 H new ATOM 0 HB3 SER A 178 79.581 6.493 4.247 1.00 0.00 H new ATOM 0 HG SER A 178 80.489 6.023 6.261 1.00 0.00 H new ATOM 132 N LEU A 179 80.167 8.305 7.643 1.00 0.00 N ATOM 133 CA LEU A 179 80.233 8.482 9.122 1.00 0.00 C ATOM 134 C LEU A 179 79.762 9.888 9.538 1.00 0.00 C ATOM 135 O LEU A 179 79.134 10.044 10.567 1.00 0.00 O ATOM 136 CB LEU A 179 81.679 8.232 9.616 1.00 0.00 C ATOM 137 CG LEU A 179 81.841 6.786 10.113 1.00 0.00 C ATOM 138 CD1 LEU A 179 81.624 5.808 8.956 1.00 0.00 C ATOM 139 CD2 LEU A 179 83.253 6.594 10.679 1.00 0.00 C ATOM 0 H LEU A 179 81.060 8.086 7.202 1.00 0.00 H new ATOM 0 HA LEU A 179 79.564 7.756 9.584 1.00 0.00 H new ATOM 0 HB2 LEU A 179 82.383 8.425 8.807 1.00 0.00 H new ATOM 0 HB3 LEU A 179 81.919 8.927 10.420 1.00 0.00 H new ATOM 0 HG LEU A 179 81.103 6.593 10.891 1.00 0.00 H new ATOM 0 HD11 LEU A 179 81.741 4.786 9.317 1.00 0.00 H new ATOM 0 HD12 LEU A 179 80.620 5.938 8.553 1.00 0.00 H new ATOM 0 HD13 LEU A 179 82.357 6.002 8.173 1.00 0.00 H new ATOM 0 HD21 LEU A 179 83.368 5.569 11.031 1.00 0.00 H new ATOM 0 HD22 LEU A 179 83.988 6.794 9.899 1.00 0.00 H new ATOM 0 HD23 LEU A 179 83.409 7.283 11.510 1.00 0.00 H new ATOM 151 N LEU A 180 80.126 10.906 8.764 1.00 0.00 N ATOM 152 CA LEU A 180 79.780 12.320 9.122 1.00 0.00 C ATOM 153 C LEU A 180 78.271 12.586 9.242 1.00 0.00 C ATOM 154 O LEU A 180 77.879 13.347 10.087 1.00 0.00 O ATOM 155 CB LEU A 180 80.363 13.283 8.079 1.00 0.00 C ATOM 156 CG LEU A 180 80.356 14.716 8.628 1.00 0.00 C ATOM 157 CD1 LEU A 180 81.312 14.851 9.836 1.00 0.00 C ATOM 158 CD2 LEU A 180 80.775 15.687 7.513 1.00 0.00 C ATOM 0 H LEU A 180 80.652 10.805 7.896 1.00 0.00 H new ATOM 0 HA LEU A 180 80.215 12.487 10.107 1.00 0.00 H new ATOM 0 HB2 LEU A 180 81.381 12.986 7.826 1.00 0.00 H new ATOM 0 HB3 LEU A 180 79.779 13.234 7.160 1.00 0.00 H new ATOM 0 HG LEU A 180 79.349 14.957 8.968 1.00 0.00 H new ATOM 0 HD11 LEU A 180 81.288 15.876 10.206 1.00 0.00 H new ATOM 0 HD12 LEU A 180 80.996 14.172 10.628 1.00 0.00 H new ATOM 0 HD13 LEU A 180 82.327 14.600 9.527 1.00 0.00 H new ATOM 0 HD21 LEU A 180 80.772 16.707 7.898 1.00 0.00 H new ATOM 0 HD22 LEU A 180 81.777 15.433 7.167 1.00 0.00 H new ATOM 0 HD23 LEU A 180 80.074 15.611 6.682 1.00 0.00 H new ATOM 170 N LEU A 181 77.446 12.022 8.369 1.00 0.00 N ATOM 171 CA LEU A 181 75.954 12.268 8.425 1.00 0.00 C ATOM 172 C LEU A 181 75.255 11.817 9.743 1.00 0.00 C ATOM 173 O LEU A 181 74.321 12.457 10.180 1.00 0.00 O ATOM 174 CB LEU A 181 75.203 11.684 7.186 1.00 0.00 C ATOM 175 CG LEU A 181 75.892 10.420 6.601 1.00 0.00 C ATOM 176 CD1 LEU A 181 75.421 9.167 7.355 1.00 0.00 C ATOM 177 CD2 LEU A 181 75.556 10.268 5.097 1.00 0.00 C ATOM 0 H LEU A 181 77.745 11.400 7.618 1.00 0.00 H new ATOM 0 HA LEU A 181 75.879 13.355 8.405 1.00 0.00 H new ATOM 0 HB2 LEU A 181 74.181 11.435 7.471 1.00 0.00 H new ATOM 0 HB3 LEU A 181 75.141 12.449 6.412 1.00 0.00 H new ATOM 0 HG LEU A 181 76.970 10.532 6.717 1.00 0.00 H new ATOM 0 HD11 LEU A 181 75.909 8.286 6.938 1.00 0.00 H new ATOM 0 HD12 LEU A 181 75.678 9.259 8.410 1.00 0.00 H new ATOM 0 HD13 LEU A 181 74.341 9.065 7.253 1.00 0.00 H new ATOM 0 HD21 LEU A 181 76.046 9.378 4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 181 74.477 10.173 4.973 1.00 0.00 H new ATOM 0 HD23 LEU A 181 75.908 11.146 4.555 1.00 0.00 H new ATOM 189 N LEU A 182 75.644 10.662 10.295 1.00 0.00 N ATOM 190 CA LEU A 182 74.945 10.071 11.511 1.00 0.00 C ATOM 191 C LEU A 182 74.943 10.956 12.778 1.00 0.00 C ATOM 192 O LEU A 182 73.941 11.003 13.456 1.00 0.00 O ATOM 193 CB LEU A 182 75.557 8.672 11.795 1.00 0.00 C ATOM 194 CG LEU A 182 74.906 7.961 13.007 1.00 0.00 C ATOM 195 CD1 LEU A 182 75.339 8.600 14.349 1.00 0.00 C ATOM 196 CD2 LEU A 182 73.374 7.972 12.870 1.00 0.00 C ATOM 0 H LEU A 182 76.423 10.103 9.948 1.00 0.00 H new ATOM 0 HA LEU A 182 73.887 9.996 11.258 1.00 0.00 H new ATOM 0 HB2 LEU A 182 75.444 8.046 10.910 1.00 0.00 H new ATOM 0 HB3 LEU A 182 76.627 8.779 11.975 1.00 0.00 H new ATOM 0 HG LEU A 182 75.254 6.928 13.013 1.00 0.00 H new ATOM 0 HD11 LEU A 182 74.861 8.073 15.174 1.00 0.00 H new ATOM 0 HD12 LEU A 182 76.422 8.530 14.453 1.00 0.00 H new ATOM 0 HD13 LEU A 182 75.040 9.648 14.366 1.00 0.00 H new ATOM 0 HD21 LEU A 182 72.928 7.469 13.728 1.00 0.00 H new ATOM 0 HD22 LEU A 182 73.020 9.002 12.829 1.00 0.00 H new ATOM 0 HD23 LEU A 182 73.087 7.453 11.956 1.00 0.00 H new ATOM 208 N PRO A 183 75.993 11.644 13.121 1.00 0.00 N ATOM 209 CA PRO A 183 76.002 12.512 14.339 1.00 0.00 C ATOM 210 C PRO A 183 75.345 13.923 14.221 1.00 0.00 C ATOM 211 O PRO A 183 75.085 14.512 15.251 1.00 0.00 O ATOM 212 CB PRO A 183 77.501 12.628 14.663 1.00 0.00 C ATOM 213 CG PRO A 183 78.196 12.508 13.343 1.00 0.00 C ATOM 214 CD PRO A 183 77.284 11.654 12.441 1.00 0.00 C ATOM 0 HA PRO A 183 75.380 12.059 15.111 1.00 0.00 H new ATOM 0 HB2 PRO A 183 77.728 13.580 15.143 1.00 0.00 H new ATOM 0 HB3 PRO A 183 77.818 11.842 15.348 1.00 0.00 H new ATOM 0 HG2 PRO A 183 78.365 13.491 12.903 1.00 0.00 H new ATOM 0 HG3 PRO A 183 79.173 12.039 13.461 1.00 0.00 H new ATOM 0 HD2 PRO A 183 77.202 12.083 11.442 1.00 0.00 H new ATOM 0 HD3 PRO A 183 77.677 10.644 12.323 1.00 0.00 H new ATOM 222 N ILE A 184 75.080 14.505 13.020 1.00 0.00 N ATOM 223 CA ILE A 184 74.467 15.875 13.023 1.00 0.00 C ATOM 224 C ILE A 184 73.007 15.850 13.510 1.00 0.00 C ATOM 225 O ILE A 184 72.581 16.757 14.191 1.00 0.00 O ATOM 226 CB ILE A 184 74.606 16.645 11.659 1.00 0.00 C ATOM 227 CG1 ILE A 184 75.491 15.905 10.635 1.00 0.00 C ATOM 228 CG2 ILE A 184 75.196 18.039 11.933 1.00 0.00 C ATOM 229 CD1 ILE A 184 76.906 15.673 11.160 1.00 0.00 C ATOM 0 H ILE A 184 75.260 14.094 12.104 1.00 0.00 H new ATOM 0 HA ILE A 184 75.054 16.446 13.742 1.00 0.00 H new ATOM 0 HB ILE A 184 73.610 16.717 11.222 1.00 0.00 H new ATOM 0 HG12 ILE A 184 75.035 14.946 10.388 1.00 0.00 H new ATOM 0 HG13 ILE A 184 75.537 16.483 9.712 1.00 0.00 H new ATOM 0 HG21 ILE A 184 75.297 18.582 10.994 1.00 0.00 H new ATOM 0 HG22 ILE A 184 74.534 18.589 12.601 1.00 0.00 H new ATOM 0 HG23 ILE A 184 76.176 17.934 12.399 1.00 0.00 H new ATOM 0 HD11 ILE A 184 77.493 15.149 10.405 1.00 0.00 H new ATOM 0 HD12 ILE A 184 77.374 16.632 11.382 1.00 0.00 H new ATOM 0 HD13 ILE A 184 76.863 15.072 12.068 1.00 0.00 H new ATOM 573 N GLY B 175 73.514 4.416 -1.521 1.00 0.00 N ATOM 574 CA GLY B 175 72.274 5.235 -1.557 1.00 0.00 C ATOM 575 C GLY B 175 71.743 5.548 -0.146 1.00 0.00 C ATOM 576 O GLY B 175 71.253 6.630 0.094 1.00 0.00 O ATOM 0 HA2 GLY B 175 72.472 6.168 -2.084 1.00 0.00 H new ATOM 0 HA3 GLY B 175 71.507 4.706 -2.123 1.00 0.00 H new ATOM 580 N TRP B 176 71.797 4.571 0.774 1.00 0.00 N ATOM 581 CA TRP B 176 71.249 4.791 2.151 1.00 0.00 C ATOM 582 C TRP B 176 71.927 5.936 2.914 1.00 0.00 C ATOM 583 O TRP B 176 71.258 6.687 3.597 1.00 0.00 O ATOM 584 CB TRP B 176 71.388 3.505 2.965 1.00 0.00 C ATOM 585 CG TRP B 176 70.644 3.647 4.253 1.00 0.00 C ATOM 586 CD1 TRP B 176 69.326 3.390 4.424 1.00 0.00 C ATOM 587 CD2 TRP B 176 71.149 4.072 5.553 1.00 0.00 C ATOM 588 NE1 TRP B 176 68.990 3.634 5.744 1.00 0.00 N ATOM 589 CE2 TRP B 176 70.079 4.056 6.479 1.00 0.00 C ATOM 590 CE3 TRP B 176 72.417 4.468 6.012 1.00 0.00 C ATOM 591 CZ2 TRP B 176 70.263 4.418 7.814 1.00 0.00 C ATOM 592 CZ3 TRP B 176 72.606 4.833 7.354 1.00 0.00 C ATOM 593 CH2 TRP B 176 71.531 4.809 8.254 1.00 0.00 C ATOM 0 H TRP B 176 72.197 3.647 0.613 1.00 0.00 H new ATOM 0 HA TRP B 176 70.204 5.072 2.022 1.00 0.00 H new ATOM 0 HB2 TRP B 176 70.997 2.660 2.399 1.00 0.00 H new ATOM 0 HB3 TRP B 176 72.440 3.298 3.161 1.00 0.00 H new ATOM 0 HD1 TRP B 176 68.647 3.050 3.656 1.00 0.00 H new ATOM 0 HE1 TRP B 176 68.052 3.516 6.127 1.00 0.00 H new ATOM 0 HE3 TRP B 176 73.252 4.492 5.327 1.00 0.00 H new ATOM 0 HZ2 TRP B 176 69.431 4.396 8.503 1.00 0.00 H new ATOM 0 HZ3 TRP B 176 73.585 5.134 7.696 1.00 0.00 H new ATOM 0 HH2 TRP B 176 71.682 5.092 9.285 1.00 0.00 H new ATOM 604 N LEU B 177 73.249 6.063 2.809 1.00 0.00 N ATOM 605 CA LEU B 177 73.952 7.162 3.550 1.00 0.00 C ATOM 606 C LEU B 177 73.434 8.524 3.102 1.00 0.00 C ATOM 607 O LEU B 177 73.251 9.425 3.888 1.00 0.00 O ATOM 608 CB LEU B 177 75.497 7.111 3.359 1.00 0.00 C ATOM 609 CG LEU B 177 75.945 5.880 2.548 1.00 0.00 C ATOM 610 CD1 LEU B 177 77.371 6.101 1.997 1.00 0.00 C ATOM 611 CD2 LEU B 177 75.904 4.626 3.439 1.00 0.00 C ATOM 0 H LEU B 177 73.851 5.459 2.250 1.00 0.00 H new ATOM 0 HA LEU B 177 73.739 7.013 4.608 1.00 0.00 H new ATOM 0 HB2 LEU B 177 75.828 8.017 2.852 1.00 0.00 H new ATOM 0 HB3 LEU B 177 75.981 7.096 4.335 1.00 0.00 H new ATOM 0 HG LEU B 177 75.265 5.737 1.708 1.00 0.00 H new ATOM 0 HD11 LEU B 177 77.680 5.226 1.425 1.00 0.00 H new ATOM 0 HD12 LEU B 177 77.379 6.979 1.351 1.00 0.00 H new ATOM 0 HD13 LEU B 177 78.062 6.255 2.826 1.00 0.00 H new ATOM 0 HD21 LEU B 177 76.222 3.758 2.861 1.00 0.00 H new ATOM 0 HD22 LEU B 177 76.574 4.761 4.288 1.00 0.00 H new ATOM 0 HD23 LEU B 177 74.888 4.469 3.800 1.00 0.00 H new ATOM 623 N SER B 178 73.222 8.633 1.812 1.00 0.00 N ATOM 624 CA SER B 178 72.751 9.917 1.205 1.00 0.00 C ATOM 625 C SER B 178 71.411 10.364 1.783 1.00 0.00 C ATOM 626 O SER B 178 71.196 11.529 1.993 1.00 0.00 O ATOM 627 CB SER B 178 72.630 9.780 -0.313 1.00 0.00 C ATOM 628 OG SER B 178 71.639 8.813 -0.624 1.00 0.00 O ATOM 0 H SER B 178 73.358 7.874 1.144 1.00 0.00 H new ATOM 0 HA SER B 178 73.495 10.676 1.447 1.00 0.00 H new ATOM 0 HB2 SER B 178 72.367 10.741 -0.756 1.00 0.00 H new ATOM 0 HB3 SER B 178 73.588 9.484 -0.740 1.00 0.00 H new ATOM 0 HG SER B 178 71.871 7.959 -0.202 1.00 0.00 H new ATOM 634 N LEU B 179 70.501 9.448 2.015 1.00 0.00 N ATOM 635 CA LEU B 179 69.176 9.852 2.566 1.00 0.00 C ATOM 636 C LEU B 179 69.325 10.550 3.935 1.00 0.00 C ATOM 637 O LEU B 179 68.609 11.484 4.227 1.00 0.00 O ATOM 638 CB LEU B 179 68.262 8.601 2.684 1.00 0.00 C ATOM 639 CG LEU B 179 67.064 8.661 1.705 1.00 0.00 C ATOM 640 CD1 LEU B 179 66.066 9.739 2.158 1.00 0.00 C ATOM 641 CD2 LEU B 179 67.545 8.951 0.264 1.00 0.00 C ATOM 0 H LEU B 179 70.620 8.449 1.848 1.00 0.00 H new ATOM 0 HA LEU B 179 68.719 10.569 1.884 1.00 0.00 H new ATOM 0 HB2 LEU B 179 68.848 7.704 2.484 1.00 0.00 H new ATOM 0 HB3 LEU B 179 67.891 8.519 3.706 1.00 0.00 H new ATOM 0 HG LEU B 179 66.567 7.691 1.710 1.00 0.00 H new ATOM 0 HD11 LEU B 179 65.227 9.773 1.463 1.00 0.00 H new ATOM 0 HD12 LEU B 179 65.700 9.500 3.157 1.00 0.00 H new ATOM 0 HD13 LEU B 179 66.562 10.709 2.176 1.00 0.00 H new ATOM 0 HD21 LEU B 179 66.686 8.988 -0.406 1.00 0.00 H new ATOM 0 HD22 LEU B 179 68.066 9.908 0.240 1.00 0.00 H new ATOM 0 HD23 LEU B 179 68.223 8.161 -0.059 1.00 0.00 H new ATOM 653 N LEU B 180 70.226 10.046 4.779 1.00 0.00 N ATOM 654 CA LEU B 180 70.417 10.608 6.160 1.00 0.00 C ATOM 655 C LEU B 180 70.836 12.094 6.206 1.00 0.00 C ATOM 656 O LEU B 180 70.410 12.804 7.074 1.00 0.00 O ATOM 657 CB LEU B 180 71.462 9.769 6.912 1.00 0.00 C ATOM 658 CG LEU B 180 71.257 9.897 8.426 1.00 0.00 C ATOM 659 CD1 LEU B 180 69.926 9.238 8.865 1.00 0.00 C ATOM 660 CD2 LEU B 180 72.430 9.229 9.143 1.00 0.00 C ATOM 0 H LEU B 180 70.838 9.261 4.556 1.00 0.00 H new ATOM 0 HA LEU B 180 69.437 10.558 6.635 1.00 0.00 H new ATOM 0 HB2 LEU B 180 71.382 8.724 6.614 1.00 0.00 H new ATOM 0 HB3 LEU B 180 72.465 10.100 6.645 1.00 0.00 H new ATOM 0 HG LEU B 180 71.210 10.954 8.688 1.00 0.00 H new ATOM 0 HD11 LEU B 180 69.806 9.343 9.943 1.00 0.00 H new ATOM 0 HD12 LEU B 180 69.094 9.726 8.358 1.00 0.00 H new ATOM 0 HD13 LEU B 180 69.940 8.180 8.603 1.00 0.00 H new ATOM 0 HD21 LEU B 180 72.294 9.315 10.221 1.00 0.00 H new ATOM 0 HD22 LEU B 180 72.474 8.176 8.865 1.00 0.00 H new ATOM 0 HD23 LEU B 180 73.360 9.720 8.855 1.00 0.00 H new ATOM 672 N LEU B 181 71.720 12.517 5.313 1.00 0.00 N ATOM 673 CA LEU B 181 72.228 13.945 5.277 1.00 0.00 C ATOM 674 C LEU B 181 71.139 15.020 5.040 1.00 0.00 C ATOM 675 O LEU B 181 71.232 16.120 5.548 1.00 0.00 O ATOM 676 CB LEU B 181 73.404 14.126 4.276 1.00 0.00 C ATOM 677 CG LEU B 181 73.276 13.214 3.033 1.00 0.00 C ATOM 678 CD1 LEU B 181 72.336 13.846 1.986 1.00 0.00 C ATOM 679 CD2 LEU B 181 74.668 13.016 2.410 1.00 0.00 C ATOM 0 H LEU B 181 72.120 11.918 4.591 1.00 0.00 H new ATOM 0 HA LEU B 181 72.597 14.117 6.288 1.00 0.00 H new ATOM 0 HB2 LEU B 181 73.446 15.167 3.955 1.00 0.00 H new ATOM 0 HB3 LEU B 181 74.344 13.911 4.784 1.00 0.00 H new ATOM 0 HG LEU B 181 72.859 12.255 3.342 1.00 0.00 H new ATOM 0 HD11 LEU B 181 72.261 13.188 1.120 1.00 0.00 H new ATOM 0 HD12 LEU B 181 71.347 13.986 2.422 1.00 0.00 H new ATOM 0 HD13 LEU B 181 72.735 14.811 1.674 1.00 0.00 H new ATOM 0 HD21 LEU B 181 74.586 12.374 1.533 1.00 0.00 H new ATOM 0 HD22 LEU B 181 75.076 13.983 2.115 1.00 0.00 H new ATOM 0 HD23 LEU B 181 75.330 12.550 3.140 1.00 0.00 H new ATOM 691 N LEU B 182 70.197 14.711 4.161 1.00 0.00 N ATOM 692 CA LEU B 182 69.138 15.699 3.700 1.00 0.00 C ATOM 693 C LEU B 182 68.238 16.278 4.819 1.00 0.00 C ATOM 694 O LEU B 182 67.882 17.432 4.744 1.00 0.00 O ATOM 695 CB LEU B 182 68.234 15.008 2.632 1.00 0.00 C ATOM 696 CG LEU B 182 67.574 16.007 1.649 1.00 0.00 C ATOM 697 CD1 LEU B 182 66.614 16.962 2.379 1.00 0.00 C ATOM 698 CD2 LEU B 182 68.645 16.801 0.876 1.00 0.00 C ATOM 0 H LEU B 182 70.114 13.790 3.731 1.00 0.00 H new ATOM 0 HA LEU B 182 69.687 16.550 3.296 1.00 0.00 H new ATOM 0 HB2 LEU B 182 68.833 14.294 2.066 1.00 0.00 H new ATOM 0 HB3 LEU B 182 67.455 14.439 3.139 1.00 0.00 H new ATOM 0 HG LEU B 182 66.989 15.429 0.934 1.00 0.00 H new ATOM 0 HD11 LEU B 182 66.168 17.649 1.660 1.00 0.00 H new ATOM 0 HD12 LEU B 182 65.827 16.385 2.866 1.00 0.00 H new ATOM 0 HD13 LEU B 182 67.165 17.529 3.129 1.00 0.00 H new ATOM 0 HD21 LEU B 182 68.159 17.496 0.192 1.00 0.00 H new ATOM 0 HD22 LEU B 182 69.264 17.357 1.580 1.00 0.00 H new ATOM 0 HD23 LEU B 182 69.271 16.112 0.309 1.00 0.00 H new ATOM 710 N PRO B 183 67.810 15.524 5.795 1.00 0.00 N ATOM 711 CA PRO B 183 66.892 16.025 6.870 1.00 0.00 C ATOM 712 C PRO B 183 67.506 16.892 8.009 1.00 0.00 C ATOM 713 O PRO B 183 66.754 17.609 8.639 1.00 0.00 O ATOM 714 CB PRO B 183 66.272 14.723 7.450 1.00 0.00 C ATOM 715 CG PRO B 183 66.811 13.605 6.603 1.00 0.00 C ATOM 716 CD PRO B 183 68.108 14.129 6.010 1.00 0.00 C ATOM 0 HA PRO B 183 66.193 16.733 6.424 1.00 0.00 H new ATOM 0 HB2 PRO B 183 66.548 14.590 8.496 1.00 0.00 H new ATOM 0 HB3 PRO B 183 65.183 14.756 7.409 1.00 0.00 H new ATOM 0 HG2 PRO B 183 66.987 12.710 7.201 1.00 0.00 H new ATOM 0 HG3 PRO B 183 66.104 13.331 5.819 1.00 0.00 H new ATOM 0 HD2 PRO B 183 68.949 13.994 6.690 1.00 0.00 H new ATOM 0 HD3 PRO B 183 68.364 13.621 5.081 1.00 0.00 H new ATOM 724 N ILE B 184 68.825 16.845 8.332 1.00 0.00 N ATOM 725 CA ILE B 184 69.286 17.706 9.478 1.00 0.00 C ATOM 726 C ILE B 184 69.266 19.206 9.150 1.00 0.00 C ATOM 727 O ILE B 184 69.017 20.008 10.020 1.00 0.00 O ATOM 728 CB ILE B 184 70.659 17.302 10.064 1.00 0.00 C ATOM 729 CG1 ILE B 184 70.709 15.785 10.311 1.00 0.00 C ATOM 730 CG2 ILE B 184 70.825 18.031 11.410 1.00 0.00 C ATOM 731 CD1 ILE B 184 70.989 15.011 9.007 1.00 0.00 C ATOM 0 H ILE B 184 69.538 16.280 7.871 1.00 0.00 H new ATOM 0 HA ILE B 184 68.545 17.519 10.255 1.00 0.00 H new ATOM 0 HB ILE B 184 71.453 17.570 9.367 1.00 0.00 H new ATOM 0 HG12 ILE B 184 71.484 15.560 11.043 1.00 0.00 H new ATOM 0 HG13 ILE B 184 69.762 15.453 10.737 1.00 0.00 H new ATOM 0 HG21 ILE B 184 71.786 17.767 11.851 1.00 0.00 H new ATOM 0 HG22 ILE B 184 70.784 19.108 11.248 1.00 0.00 H new ATOM 0 HG23 ILE B 184 70.022 17.735 12.086 1.00 0.00 H new ATOM 0 HD11 ILE B 184 71.018 13.942 9.217 1.00 0.00 H new ATOM 0 HD12 ILE B 184 70.199 15.217 8.285 1.00 0.00 H new ATOM 0 HD13 ILE B 184 71.948 15.326 8.596 1.00 0.00 H new ATOM 743 N PRO B 185 69.516 19.606 7.931 1.00 0.00 N ATOM 744 CA PRO B 185 69.503 21.055 7.563 1.00 0.00 C ATOM 745 C PRO B 185 68.162 21.724 7.890 1.00 0.00 C ATOM 746 O PRO B 185 68.073 22.933 7.978 1.00 0.00 O ATOM 747 CB PRO B 185 69.751 21.063 6.039 1.00 0.00 C ATOM 748 CG PRO B 185 70.359 19.733 5.724 1.00 0.00 C ATOM 749 CD PRO B 185 69.836 18.754 6.782 1.00 0.00 C ATOM 0 HA PRO B 185 70.251 21.615 8.123 1.00 0.00 H new ATOM 0 HB2 PRO B 185 68.820 21.208 5.491 1.00 0.00 H new ATOM 0 HB3 PRO B 185 70.418 21.876 5.755 1.00 0.00 H new ATOM 0 HG2 PRO B 185 70.080 19.407 4.722 1.00 0.00 H new ATOM 0 HG3 PRO B 185 71.447 19.788 5.750 1.00 0.00 H new ATOM 0 HD2 PRO B 185 68.957 18.216 6.427 1.00 0.00 H new ATOM 0 HD3 PRO B 185 70.586 18.005 7.038 1.00 0.00 H new ATOM 1075 N GLY C 175 79.059 11.503 -5.718 1.00 0.00 N ATOM 1076 CA GLY C 175 79.970 12.525 -5.137 1.00 0.00 C ATOM 1077 C GLY C 175 79.173 13.656 -4.473 1.00 0.00 C ATOM 1078 O GLY C 175 79.562 14.154 -3.437 1.00 0.00 O ATOM 0 HA2 GLY C 175 80.626 12.058 -4.403 1.00 0.00 H new ATOM 0 HA3 GLY C 175 80.608 12.935 -5.919 1.00 0.00 H new ATOM 1082 N TRP C 176 78.066 14.068 -5.103 1.00 0.00 N ATOM 1083 CA TRP C 176 77.231 15.183 -4.567 1.00 0.00 C ATOM 1084 C TRP C 176 76.678 14.889 -3.167 1.00 0.00 C ATOM 1085 O TRP C 176 76.622 15.775 -2.337 1.00 0.00 O ATOM 1086 CB TRP C 176 76.060 15.453 -5.526 1.00 0.00 C ATOM 1087 CG TRP C 176 76.547 16.177 -6.745 1.00 0.00 C ATOM 1088 CD1 TRP C 176 77.618 15.817 -7.493 1.00 0.00 C ATOM 1089 CD2 TRP C 176 75.997 17.374 -7.369 1.00 0.00 C ATOM 1090 NE1 TRP C 176 77.759 16.720 -8.532 1.00 0.00 N ATOM 1091 CE2 TRP C 176 76.785 17.696 -8.499 1.00 0.00 C ATOM 1092 CE3 TRP C 176 74.903 18.203 -7.066 1.00 0.00 C ATOM 1093 CZ2 TRP C 176 76.497 18.802 -9.301 1.00 0.00 C ATOM 1094 CZ3 TRP C 176 74.610 19.318 -7.871 1.00 0.00 C ATOM 1095 CH2 TRP C 176 75.406 19.615 -8.986 1.00 0.00 C ATOM 0 H TRP C 176 77.720 13.662 -5.972 1.00 0.00 H new ATOM 0 HA TRP C 176 77.876 16.058 -4.487 1.00 0.00 H new ATOM 0 HB2 TRP C 176 75.593 14.512 -5.815 1.00 0.00 H new ATOM 0 HB3 TRP C 176 75.297 16.046 -5.022 1.00 0.00 H new ATOM 0 HD1 TRP C 176 78.256 14.966 -7.309 1.00 0.00 H new ATOM 0 HE1 TRP C 176 78.494 16.670 -9.237 1.00 0.00 H new ATOM 0 HE3 TRP C 176 74.284 17.982 -6.209 1.00 0.00 H new ATOM 0 HZ2 TRP C 176 77.113 19.027 -10.159 1.00 0.00 H new ATOM 0 HZ3 TRP C 176 73.767 19.949 -7.629 1.00 0.00 H new ATOM 0 HH2 TRP C 176 75.176 20.472 -9.601 1.00 0.00 H new ATOM 1106 N LEU C 177 76.246 13.654 -2.913 1.00 0.00 N ATOM 1107 CA LEU C 177 75.671 13.319 -1.573 1.00 0.00 C ATOM 1108 C LEU C 177 76.695 13.560 -0.465 1.00 0.00 C ATOM 1109 O LEU C 177 76.365 14.063 0.582 1.00 0.00 O ATOM 1110 CB LEU C 177 75.141 11.866 -1.552 1.00 0.00 C ATOM 1111 CG LEU C 177 76.291 10.830 -1.353 1.00 0.00 C ATOM 1112 CD1 LEU C 177 76.423 10.463 0.138 1.00 0.00 C ATOM 1113 CD2 LEU C 177 76.039 9.528 -2.170 1.00 0.00 C ATOM 0 H LEU C 177 76.272 12.881 -3.578 1.00 0.00 H new ATOM 0 HA LEU C 177 74.826 13.981 -1.387 1.00 0.00 H new ATOM 0 HB2 LEU C 177 74.411 11.757 -0.749 1.00 0.00 H new ATOM 0 HB3 LEU C 177 74.621 11.656 -2.486 1.00 0.00 H new ATOM 0 HG LEU C 177 77.211 11.294 -1.710 1.00 0.00 H new ATOM 0 HD11 LEU C 177 77.228 9.740 0.265 1.00 0.00 H new ATOM 0 HD12 LEU C 177 76.647 11.360 0.715 1.00 0.00 H new ATOM 0 HD13 LEU C 177 75.487 10.029 0.490 1.00 0.00 H new ATOM 0 HD21 LEU C 177 76.861 8.831 -2.006 1.00 0.00 H new ATOM 0 HD22 LEU C 177 75.104 9.070 -1.846 1.00 0.00 H new ATOM 0 HD23 LEU C 177 75.975 9.771 -3.231 1.00 0.00 H new ATOM 1125 N SER C 178 77.939 13.212 -0.722 1.00 0.00 N ATOM 1126 CA SER C 178 79.026 13.405 0.283 1.00 0.00 C ATOM 1127 C SER C 178 79.166 14.884 0.655 1.00 0.00 C ATOM 1128 O SER C 178 79.402 15.220 1.789 1.00 0.00 O ATOM 1129 CB SER C 178 80.345 12.833 -0.242 1.00 0.00 C ATOM 1130 OG SER C 178 80.989 13.797 -1.063 1.00 0.00 O ATOM 0 H SER C 178 78.245 12.796 -1.602 1.00 0.00 H new ATOM 0 HA SER C 178 78.762 12.862 1.190 1.00 0.00 H new ATOM 0 HB2 SER C 178 80.992 12.560 0.592 1.00 0.00 H new ATOM 0 HB3 SER C 178 80.157 11.923 -0.811 1.00 0.00 H new ATOM 0 HG SER C 178 80.480 13.912 -1.893 1.00 0.00 H new ATOM 1136 N LEU C 179 79.038 15.760 -0.318 1.00 0.00 N ATOM 1137 CA LEU C 179 79.161 17.225 -0.059 1.00 0.00 C ATOM 1138 C LEU C 179 78.111 17.716 0.956 1.00 0.00 C ATOM 1139 O LEU C 179 78.392 18.583 1.760 1.00 0.00 O ATOM 1140 CB LEU C 179 78.998 18.004 -1.368 1.00 0.00 C ATOM 1141 CG LEU C 179 79.806 17.328 -2.479 1.00 0.00 C ATOM 1142 CD1 LEU C 179 79.782 18.203 -3.734 1.00 0.00 C ATOM 1143 CD2 LEU C 179 81.256 17.133 -2.020 1.00 0.00 C ATOM 0 H LEU C 179 78.851 15.514 -1.290 1.00 0.00 H new ATOM 0 HA LEU C 179 80.151 17.400 0.361 1.00 0.00 H new ATOM 0 HB2 LEU C 179 77.945 18.048 -1.647 1.00 0.00 H new ATOM 0 HB3 LEU C 179 79.335 19.032 -1.234 1.00 0.00 H new ATOM 0 HG LEU C 179 79.365 16.357 -2.703 1.00 0.00 H new ATOM 0 HD11 LEU C 179 80.357 17.721 -4.525 1.00 0.00 H new ATOM 0 HD12 LEU C 179 78.752 18.337 -4.065 1.00 0.00 H new ATOM 0 HD13 LEU C 179 80.219 19.175 -3.508 1.00 0.00 H new ATOM 0 HD21 LEU C 179 81.827 16.652 -2.814 1.00 0.00 H new ATOM 0 HD22 LEU C 179 81.699 18.102 -1.791 1.00 0.00 H new ATOM 0 HD23 LEU C 179 81.274 16.506 -1.128 1.00 0.00 H new ATOM 1155 N LEU C 180 76.886 17.196 0.858 1.00 0.00 N ATOM 1156 CA LEU C 180 75.752 17.649 1.740 1.00 0.00 C ATOM 1157 C LEU C 180 76.010 17.448 3.247 1.00 0.00 C ATOM 1158 O LEU C 180 75.617 18.278 4.037 1.00 0.00 O ATOM 1159 CB LEU C 180 74.455 16.901 1.337 1.00 0.00 C ATOM 1160 CG LEU C 180 73.191 17.783 1.563 1.00 0.00 C ATOM 1161 CD1 LEU C 180 72.124 17.493 0.497 1.00 0.00 C ATOM 1162 CD2 LEU C 180 72.615 17.547 2.971 1.00 0.00 C ATOM 0 H LEU C 180 76.632 16.467 0.191 1.00 0.00 H new ATOM 0 HA LEU C 180 75.654 18.723 1.585 1.00 0.00 H new ATOM 0 HB2 LEU C 180 74.513 16.609 0.288 1.00 0.00 H new ATOM 0 HB3 LEU C 180 74.368 15.983 1.919 1.00 0.00 H new ATOM 0 HG LEU C 180 73.487 18.828 1.476 1.00 0.00 H new ATOM 0 HD11 LEU C 180 71.251 18.121 0.676 1.00 0.00 H new ATOM 0 HD12 LEU C 180 72.529 17.708 -0.492 1.00 0.00 H new ATOM 0 HD13 LEU C 180 71.833 16.444 0.549 1.00 0.00 H new ATOM 0 HD21 LEU C 180 71.732 18.171 3.112 1.00 0.00 H new ATOM 0 HD22 LEU C 180 72.339 16.498 3.080 1.00 0.00 H new ATOM 0 HD23 LEU C 180 73.365 17.805 3.719 1.00 0.00 H new ATOM 1174 N LEU C 181 76.619 16.340 3.647 1.00 0.00 N ATOM 1175 CA LEU C 181 76.890 16.083 5.113 1.00 0.00 C ATOM 1176 C LEU C 181 77.806 17.147 5.788 1.00 0.00 C ATOM 1177 O LEU C 181 77.592 17.492 6.933 1.00 0.00 O ATOM 1178 CB LEU C 181 77.447 14.648 5.361 1.00 0.00 C ATOM 1179 CG LEU C 181 78.287 14.119 4.166 1.00 0.00 C ATOM 1180 CD1 LEU C 181 79.749 14.579 4.286 1.00 0.00 C ATOM 1181 CD2 LEU C 181 78.228 12.578 4.119 1.00 0.00 C ATOM 0 H LEU C 181 76.940 15.603 3.019 1.00 0.00 H new ATOM 0 HA LEU C 181 75.915 16.169 5.592 1.00 0.00 H new ATOM 0 HB2 LEU C 181 78.063 14.652 6.260 1.00 0.00 H new ATOM 0 HB3 LEU C 181 76.617 13.967 5.546 1.00 0.00 H new ATOM 0 HG LEU C 181 77.868 14.524 3.245 1.00 0.00 H new ATOM 0 HD11 LEU C 181 80.321 14.198 3.440 1.00 0.00 H new ATOM 0 HD12 LEU C 181 79.789 15.668 4.290 1.00 0.00 H new ATOM 0 HD13 LEU C 181 80.176 14.197 5.213 1.00 0.00 H new ATOM 0 HD21 LEU C 181 78.820 12.217 3.278 1.00 0.00 H new ATOM 0 HD22 LEU C 181 78.629 12.170 5.047 1.00 0.00 H new ATOM 0 HD23 LEU C 181 77.193 12.257 3.999 1.00 0.00 H new ATOM 1193 N LEU C 182 78.851 17.608 5.088 1.00 0.00 N ATOM 1194 CA LEU C 182 79.846 18.599 5.691 1.00 0.00 C ATOM 1195 C LEU C 182 79.238 19.949 6.151 1.00 0.00 C ATOM 1196 O LEU C 182 79.609 20.435 7.199 1.00 0.00 O ATOM 1197 CB LEU C 182 80.983 18.876 4.669 1.00 0.00 C ATOM 1198 CG LEU C 182 82.304 19.325 5.345 1.00 0.00 C ATOM 1199 CD1 LEU C 182 82.138 20.682 6.057 1.00 0.00 C ATOM 1200 CD2 LEU C 182 82.807 18.254 6.338 1.00 0.00 C ATOM 0 H LEU C 182 79.055 17.339 4.126 1.00 0.00 H new ATOM 0 HA LEU C 182 80.219 18.119 6.596 1.00 0.00 H new ATOM 0 HB2 LEU C 182 81.168 17.974 4.085 1.00 0.00 H new ATOM 0 HB3 LEU C 182 80.657 19.647 3.971 1.00 0.00 H new ATOM 0 HG LEU C 182 83.049 19.446 4.559 1.00 0.00 H new ATOM 0 HD11 LEU C 182 83.082 20.968 6.520 1.00 0.00 H new ATOM 0 HD12 LEU C 182 81.846 21.441 5.331 1.00 0.00 H new ATOM 0 HD13 LEU C 182 81.368 20.599 6.824 1.00 0.00 H new ATOM 0 HD21 LEU C 182 83.735 18.593 6.799 1.00 0.00 H new ATOM 0 HD22 LEU C 182 82.055 18.093 7.111 1.00 0.00 H new ATOM 0 HD23 LEU C 182 82.986 17.320 5.806 1.00 0.00 H new ATOM 1212 N PRO C 183 78.325 20.561 5.440 1.00 0.00 N ATOM 1213 CA PRO C 183 77.701 21.855 5.881 1.00 0.00 C ATOM 1214 C PRO C 183 76.800 21.809 7.145 1.00 0.00 C ATOM 1215 O PRO C 183 76.688 22.825 7.803 1.00 0.00 O ATOM 1216 CB PRO C 183 76.891 22.298 4.649 1.00 0.00 C ATOM 1217 CG PRO C 183 76.586 21.029 3.935 1.00 0.00 C ATOM 1218 CD PRO C 183 77.828 20.162 4.122 1.00 0.00 C ATOM 0 HA PRO C 183 78.487 22.540 6.199 1.00 0.00 H new ATOM 0 HB2 PRO C 183 75.979 22.820 4.939 1.00 0.00 H new ATOM 0 HB3 PRO C 183 77.463 22.980 4.021 1.00 0.00 H new ATOM 0 HG2 PRO C 183 75.701 20.546 4.350 1.00 0.00 H new ATOM 0 HG3 PRO C 183 76.386 21.209 2.879 1.00 0.00 H new ATOM 0 HD2 PRO C 183 77.585 19.100 4.089 1.00 0.00 H new ATOM 0 HD3 PRO C 183 78.567 20.345 3.342 1.00 0.00 H new ATOM 1226 N ILE C 184 76.139 20.688 7.510 1.00 0.00 N ATOM 1227 CA ILE C 184 75.288 20.749 8.729 1.00 0.00 C ATOM 1228 C ILE C 184 76.153 20.861 9.999 1.00 0.00 C ATOM 1229 O ILE C 184 75.865 21.681 10.845 1.00 0.00 O ATOM 1230 CB ILE C 184 74.251 19.591 8.802 1.00 0.00 C ATOM 1231 CG1 ILE C 184 73.394 19.577 7.511 1.00 0.00 C ATOM 1232 CG2 ILE C 184 73.316 19.812 10.028 1.00 0.00 C ATOM 1233 CD1 ILE C 184 74.030 18.661 6.455 1.00 0.00 C ATOM 0 H ILE C 184 76.167 19.792 7.024 1.00 0.00 H new ATOM 0 HA ILE C 184 74.692 21.659 8.663 1.00 0.00 H new ATOM 0 HB ILE C 184 74.778 18.642 8.903 1.00 0.00 H new ATOM 0 HG12 ILE C 184 72.386 19.233 7.740 1.00 0.00 H new ATOM 0 HG13 ILE C 184 73.303 20.589 7.116 1.00 0.00 H new ATOM 0 HG21 ILE C 184 72.588 19.002 10.081 1.00 0.00 H new ATOM 0 HG22 ILE C 184 73.911 19.826 10.941 1.00 0.00 H new ATOM 0 HG23 ILE C 184 72.793 20.763 9.920 1.00 0.00 H new ATOM 0 HD11 ILE C 184 73.416 18.662 5.555 1.00 0.00 H new ATOM 0 HD12 ILE C 184 75.029 19.023 6.213 1.00 0.00 H new ATOM 0 HD13 ILE C 184 74.097 17.646 6.847 1.00 0.00 H new