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 180:sc= 0 USER MOD Single : B 178 SER OG : rot -87:sc= 1.29 USER MOD Single : C 178 SER OG : rot -70:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 52 N LEU A 174 84.793 5.745 0.485 1.00 0.00 N ATOM 53 CA LEU A 174 83.308 5.850 0.434 1.00 0.00 C ATOM 54 C LEU A 174 82.706 5.687 1.827 1.00 0.00 C ATOM 55 O LEU A 174 81.763 6.359 2.178 1.00 0.00 O ATOM 56 CB LEU A 174 82.741 4.776 -0.512 1.00 0.00 C ATOM 57 CG LEU A 174 82.823 5.263 -1.963 1.00 0.00 C ATOM 58 CD1 LEU A 174 84.265 5.653 -2.293 1.00 0.00 C ATOM 59 CD2 LEU A 174 82.367 4.144 -2.907 1.00 0.00 C ATOM 0 HA LEU A 174 83.043 6.838 0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 174 83.300 3.847 -0.399 1.00 0.00 H new ATOM 0 HB3 LEU A 174 81.706 4.558 -0.250 1.00 0.00 H new ATOM 0 HG LEU A 174 82.175 6.131 -2.089 1.00 0.00 H new ATOM 0 HD11 LEU A 174 84.321 5.999 -3.325 1.00 0.00 H new ATOM 0 HD12 LEU A 174 84.588 6.451 -1.625 1.00 0.00 H new ATOM 0 HD13 LEU A 174 84.915 4.787 -2.165 1.00 0.00 H new ATOM 0 HD21 LEU A 174 82.426 4.492 -3.938 1.00 0.00 H new ATOM 0 HD22 LEU A 174 83.012 3.275 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 174 81.338 3.869 -2.675 1.00 0.00 H new ATOM 71 N GLY A 175 83.249 4.773 2.605 1.00 0.00 N ATOM 72 CA GLY A 175 82.723 4.539 3.975 1.00 0.00 C ATOM 73 C GLY A 175 82.816 5.797 4.856 1.00 0.00 C ATOM 74 O GLY A 175 81.931 6.054 5.647 1.00 0.00 O ATOM 0 H GLY A 175 84.037 4.182 2.340 1.00 0.00 H new ATOM 0 HA2 GLY A 175 81.684 4.217 3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 175 83.281 3.728 4.443 1.00 0.00 H new ATOM 78 N TRP A 176 83.924 6.551 4.751 1.00 0.00 N ATOM 79 CA TRP A 176 84.112 7.758 5.618 1.00 0.00 C ATOM 80 C TRP A 176 83.019 8.829 5.436 1.00 0.00 C ATOM 81 O TRP A 176 82.574 9.407 6.408 1.00 0.00 O ATOM 82 CB TRP A 176 85.510 8.370 5.328 1.00 0.00 C ATOM 83 CG TRP A 176 86.287 8.558 6.601 1.00 0.00 C ATOM 84 CD1 TRP A 176 86.023 9.489 7.544 1.00 0.00 C ATOM 85 CD2 TRP A 176 87.442 7.808 7.077 1.00 0.00 C ATOM 86 NE1 TRP A 176 86.942 9.360 8.569 1.00 0.00 N ATOM 87 CE2 TRP A 176 87.837 8.336 8.328 1.00 0.00 C ATOM 88 CE3 TRP A 176 88.177 6.730 6.550 1.00 0.00 C ATOM 89 CZ2 TRP A 176 88.923 7.815 9.031 1.00 0.00 C ATOM 90 CZ3 TRP A 176 89.270 6.203 7.255 1.00 0.00 C ATOM 91 CH2 TRP A 176 89.642 6.743 8.493 1.00 0.00 C ATOM 0 H TRP A 176 84.688 6.366 4.101 1.00 0.00 H new ATOM 0 HA TRP A 176 84.036 7.426 6.653 1.00 0.00 H new ATOM 0 HB2 TRP A 176 86.064 7.718 4.652 1.00 0.00 H new ATOM 0 HB3 TRP A 176 85.394 9.329 4.823 1.00 0.00 H new ATOM 0 HD1 TRP A 176 85.225 10.215 7.504 1.00 0.00 H new ATOM 0 HE1 TRP A 176 86.957 9.949 9.402 1.00 0.00 H new ATOM 0 HE3 TRP A 176 87.898 6.305 5.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 176 89.207 8.236 9.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 176 89.828 5.376 6.841 1.00 0.00 H new ATOM 0 HH2 TRP A 176 90.483 6.332 9.031 1.00 0.00 H new ATOM 102 N LEU A 177 82.582 9.088 4.202 1.00 0.00 N ATOM 103 CA LEU A 177 81.515 10.124 4.001 1.00 0.00 C ATOM 104 C LEU A 177 80.250 9.723 4.752 1.00 0.00 C ATOM 105 O LEU A 177 79.591 10.535 5.360 1.00 0.00 O ATOM 106 CB LEU A 177 81.225 10.426 2.502 1.00 0.00 C ATOM 107 CG LEU A 177 81.374 9.185 1.585 1.00 0.00 C ATOM 108 CD1 LEU A 177 80.074 8.360 1.556 1.00 0.00 C ATOM 109 CD2 LEU A 177 81.680 9.639 0.148 1.00 0.00 C ATOM 0 H LEU A 177 82.917 8.632 3.353 1.00 0.00 H new ATOM 0 HA LEU A 177 81.891 11.059 4.416 1.00 0.00 H new ATOM 0 HB2 LEU A 177 80.213 10.819 2.407 1.00 0.00 H new ATOM 0 HB3 LEU A 177 81.904 11.206 2.158 1.00 0.00 H new ATOM 0 HG LEU A 177 82.184 8.573 1.981 1.00 0.00 H new ATOM 0 HD11 LEU A 177 80.206 7.495 0.905 1.00 0.00 H new ATOM 0 HD12 LEU A 177 79.835 8.022 2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 177 79.259 8.978 1.178 1.00 0.00 H new ATOM 0 HD21 LEU A 177 81.784 8.765 -0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 177 80.865 10.263 -0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 177 82.608 10.211 0.137 1.00 0.00 H new ATOM 121 N SER A 178 79.950 8.445 4.703 1.00 0.00 N ATOM 122 CA SER A 178 78.750 7.882 5.391 1.00 0.00 C ATOM 123 C SER A 178 78.831 8.144 6.897 1.00 0.00 C ATOM 124 O SER A 178 77.846 8.425 7.538 1.00 0.00 O ATOM 125 CB SER A 178 78.635 6.372 5.105 1.00 0.00 C ATOM 126 OG SER A 178 78.624 5.644 6.329 1.00 0.00 O ATOM 0 H SER A 178 80.505 7.753 4.200 1.00 0.00 H new ATOM 0 HA SER A 178 77.857 8.375 5.006 1.00 0.00 H new ATOM 0 HB2 SER A 178 77.724 6.168 4.543 1.00 0.00 H new ATOM 0 HB3 SER A 178 79.471 6.046 4.486 1.00 0.00 H new ATOM 0 HG SER A 178 78.549 4.686 6.139 1.00 0.00 H new ATOM 132 N LEU A 179 80.014 8.019 7.456 1.00 0.00 N ATOM 133 CA LEU A 179 80.193 8.241 8.917 1.00 0.00 C ATOM 134 C LEU A 179 79.778 9.675 9.310 1.00 0.00 C ATOM 135 O LEU A 179 79.215 9.880 10.359 1.00 0.00 O ATOM 136 CB LEU A 179 81.676 7.977 9.293 1.00 0.00 C ATOM 137 CG LEU A 179 81.813 7.078 10.545 1.00 0.00 C ATOM 138 CD1 LEU A 179 80.894 7.566 11.683 1.00 0.00 C ATOM 139 CD2 LEU A 179 81.491 5.614 10.182 1.00 0.00 C ATOM 0 H LEU A 179 80.866 7.770 6.953 1.00 0.00 H new ATOM 0 HA LEU A 179 79.552 7.551 9.466 1.00 0.00 H new ATOM 0 HB2 LEU A 179 82.183 7.505 8.452 1.00 0.00 H new ATOM 0 HB3 LEU A 179 82.177 8.928 9.474 1.00 0.00 H new ATOM 0 HG LEU A 179 82.842 7.138 10.898 1.00 0.00 H new ATOM 0 HD11 LEU A 179 81.011 6.915 12.550 1.00 0.00 H new ATOM 0 HD12 LEU A 179 81.163 8.586 11.956 1.00 0.00 H new ATOM 0 HD13 LEU A 179 79.857 7.542 11.349 1.00 0.00 H new ATOM 0 HD21 LEU A 179 81.590 4.989 11.069 1.00 0.00 H new ATOM 0 HD22 LEU A 179 80.471 5.549 9.804 1.00 0.00 H new ATOM 0 HD23 LEU A 179 82.184 5.268 9.415 1.00 0.00 H new ATOM 151 N LEU A 180 80.113 10.657 8.475 1.00 0.00 N ATOM 152 CA LEU A 180 79.806 12.100 8.786 1.00 0.00 C ATOM 153 C LEU A 180 78.297 12.398 8.966 1.00 0.00 C ATOM 154 O LEU A 180 77.946 13.200 9.793 1.00 0.00 O ATOM 155 CB LEU A 180 80.376 12.977 7.639 1.00 0.00 C ATOM 156 CG LEU A 180 80.938 14.337 8.152 1.00 0.00 C ATOM 157 CD1 LEU A 180 82.017 14.902 7.182 1.00 0.00 C ATOM 158 CD2 LEU A 180 79.791 15.367 8.321 1.00 0.00 C ATOM 0 H LEU A 180 80.590 10.510 7.585 1.00 0.00 H new ATOM 0 HA LEU A 180 80.272 12.331 9.744 1.00 0.00 H new ATOM 0 HB2 LEU A 180 81.168 12.430 7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 180 79.592 13.165 6.905 1.00 0.00 H new ATOM 0 HG LEU A 180 81.406 14.160 9.120 1.00 0.00 H new ATOM 0 HD11 LEU A 180 82.390 15.851 7.566 1.00 0.00 H new ATOM 0 HD12 LEU A 180 82.841 14.193 7.102 1.00 0.00 H new ATOM 0 HD13 LEU A 180 81.576 15.058 6.198 1.00 0.00 H new ATOM 0 HD21 LEU A 180 80.200 16.311 8.680 1.00 0.00 H new ATOM 0 HD22 LEU A 180 79.300 15.526 7.361 1.00 0.00 H new ATOM 0 HD23 LEU A 180 79.066 14.989 9.041 1.00 0.00 H new ATOM 170 N LEU A 181 77.430 11.808 8.146 1.00 0.00 N ATOM 171 CA LEU A 181 75.936 12.071 8.236 1.00 0.00 C ATOM 172 C LEU A 181 75.267 11.682 9.589 1.00 0.00 C ATOM 173 O LEU A 181 74.365 12.362 10.038 1.00 0.00 O ATOM 174 CB LEU A 181 75.159 11.446 7.036 1.00 0.00 C ATOM 175 CG LEU A 181 75.810 10.133 6.529 1.00 0.00 C ATOM 176 CD1 LEU A 181 75.293 8.933 7.339 1.00 0.00 C ATOM 177 CD2 LEU A 181 75.492 9.921 5.033 1.00 0.00 C ATOM 0 H LEU A 181 77.698 11.151 7.413 1.00 0.00 H new ATOM 0 HA LEU A 181 75.862 13.157 8.184 1.00 0.00 H new ATOM 0 HB2 LEU A 181 74.131 11.246 7.337 1.00 0.00 H new ATOM 0 HB3 LEU A 181 75.117 12.166 6.219 1.00 0.00 H new ATOM 0 HG LEU A 181 76.889 10.213 6.658 1.00 0.00 H new ATOM 0 HD11 LEU A 181 75.759 8.018 6.972 1.00 0.00 H new ATOM 0 HD12 LEU A 181 75.542 9.070 8.391 1.00 0.00 H new ATOM 0 HD13 LEU A 181 74.211 8.859 7.229 1.00 0.00 H new ATOM 0 HD21 LEU A 181 75.955 8.996 4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 181 74.412 9.859 4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 181 75.884 10.758 4.456 1.00 0.00 H new ATOM 189 N LEU A 182 75.661 10.544 10.172 1.00 0.00 N ATOM 190 CA LEU A 182 75.012 10.009 11.441 1.00 0.00 C ATOM 191 C LEU A 182 75.091 10.946 12.668 1.00 0.00 C ATOM 192 O LEU A 182 74.138 11.037 13.414 1.00 0.00 O ATOM 193 CB LEU A 182 75.590 8.603 11.762 1.00 0.00 C ATOM 194 CG LEU A 182 74.915 7.943 12.991 1.00 0.00 C ATOM 195 CD1 LEU A 182 75.382 8.594 14.318 1.00 0.00 C ATOM 196 CD2 LEU A 182 73.384 8.012 12.868 1.00 0.00 C ATOM 0 H LEU A 182 76.416 9.959 9.813 1.00 0.00 H new ATOM 0 HA LEU A 182 73.944 9.943 11.231 1.00 0.00 H new ATOM 0 HB2 LEU A 182 75.464 7.957 10.893 1.00 0.00 H new ATOM 0 HB3 LEU A 182 76.661 8.688 11.944 1.00 0.00 H new ATOM 0 HG LEU A 182 75.219 6.897 13.011 1.00 0.00 H new ATOM 0 HD11 LEU A 182 74.887 8.105 15.157 1.00 0.00 H new ATOM 0 HD12 LEU A 182 76.462 8.482 14.418 1.00 0.00 H new ATOM 0 HD13 LEU A 182 75.126 9.653 14.313 1.00 0.00 H new ATOM 0 HD21 LEU A 182 72.927 7.544 13.740 1.00 0.00 H new ATOM 0 HD22 LEU A 182 73.070 9.054 12.810 1.00 0.00 H new ATOM 0 HD23 LEU A 182 73.067 7.487 11.967 1.00 0.00 H new ATOM 208 N PRO A 183 76.177 11.619 12.902 1.00 0.00 N ATOM 209 CA PRO A 183 76.339 12.535 14.078 1.00 0.00 C ATOM 210 C PRO A 183 75.443 13.796 14.081 1.00 0.00 C ATOM 211 O PRO A 183 75.126 14.276 15.151 1.00 0.00 O ATOM 212 CB PRO A 183 77.836 12.928 14.041 1.00 0.00 C ATOM 213 CG PRO A 183 78.469 11.959 13.096 1.00 0.00 C ATOM 214 CD PRO A 183 77.377 11.604 12.100 1.00 0.00 C ATOM 0 HA PRO A 183 76.024 12.019 14.985 1.00 0.00 H new ATOM 0 HB2 PRO A 183 77.966 13.955 13.699 1.00 0.00 H new ATOM 0 HB3 PRO A 183 78.285 12.863 15.032 1.00 0.00 H new ATOM 0 HG2 PRO A 183 79.330 12.402 12.595 1.00 0.00 H new ATOM 0 HG3 PRO A 183 78.827 11.073 13.621 1.00 0.00 H new ATOM 0 HD2 PRO A 183 77.325 12.327 11.286 1.00 0.00 H new ATOM 0 HD3 PRO A 183 77.547 10.626 11.649 1.00 0.00 H new ATOM 222 N ILE A 184 75.037 14.368 12.923 1.00 0.00 N ATOM 223 CA ILE A 184 74.200 15.591 13.005 1.00 0.00 C ATOM 224 C ILE A 184 72.796 15.264 13.538 1.00 0.00 C ATOM 225 O ILE A 184 72.330 15.948 14.427 1.00 0.00 O ATOM 226 CB ILE A 184 74.193 16.386 11.682 1.00 0.00 C ATOM 227 CG1 ILE A 184 75.644 16.665 11.270 1.00 0.00 C ATOM 228 CG2 ILE A 184 73.473 17.733 11.909 1.00 0.00 C ATOM 229 CD1 ILE A 184 76.346 15.389 10.769 1.00 0.00 C ATOM 0 H ILE A 184 75.254 14.034 11.984 1.00 0.00 H new ATOM 0 HA ILE A 184 74.656 16.262 13.733 1.00 0.00 H new ATOM 0 HB ILE A 184 73.682 15.817 10.906 1.00 0.00 H new ATOM 0 HG12 ILE A 184 75.661 17.422 10.486 1.00 0.00 H new ATOM 0 HG13 ILE A 184 76.192 17.073 12.119 1.00 0.00 H new ATOM 0 HG21 ILE A 184 73.463 18.302 10.979 1.00 0.00 H new ATOM 0 HG22 ILE A 184 72.448 17.548 12.232 1.00 0.00 H new ATOM 0 HG23 ILE A 184 73.998 18.302 12.676 1.00 0.00 H new ATOM 0 HD11 ILE A 184 77.372 15.625 10.486 1.00 0.00 H new ATOM 0 HD12 ILE A 184 76.351 14.641 11.562 1.00 0.00 H new ATOM 0 HD13 ILE A 184 75.812 14.996 9.904 1.00 0.00 H new ATOM 573 N GLY B 175 72.512 3.875 -1.394 1.00 0.00 N ATOM 574 CA GLY B 175 71.547 5.004 -1.464 1.00 0.00 C ATOM 575 C GLY B 175 71.079 5.444 -0.071 1.00 0.00 C ATOM 576 O GLY B 175 70.887 6.620 0.165 1.00 0.00 O ATOM 0 HA2 GLY B 175 72.012 5.848 -1.974 1.00 0.00 H new ATOM 0 HA3 GLY B 175 70.684 4.707 -2.060 1.00 0.00 H new ATOM 580 N TRP B 176 70.844 4.484 0.833 1.00 0.00 N ATOM 581 CA TRP B 176 70.324 4.825 2.191 1.00 0.00 C ATOM 582 C TRP B 176 71.254 5.757 2.983 1.00 0.00 C ATOM 583 O TRP B 176 70.770 6.657 3.642 1.00 0.00 O ATOM 584 CB TRP B 176 70.098 3.530 2.983 1.00 0.00 C ATOM 585 CG TRP B 176 69.703 3.848 4.392 1.00 0.00 C ATOM 586 CD1 TRP B 176 68.452 4.169 4.798 1.00 0.00 C ATOM 587 CD2 TRP B 176 70.542 3.883 5.583 1.00 0.00 C ATOM 588 NE1 TRP B 176 68.471 4.394 6.163 1.00 0.00 N ATOM 589 CE2 TRP B 176 69.736 4.232 6.692 1.00 0.00 C ATOM 590 CE3 TRP B 176 71.910 3.649 5.804 1.00 0.00 C ATOM 591 CZ2 TRP B 176 70.269 4.342 7.976 1.00 0.00 C ATOM 592 CZ3 TRP B 176 72.450 3.759 7.095 1.00 0.00 C ATOM 593 CH2 TRP B 176 71.631 4.105 8.180 1.00 0.00 C ATOM 0 H TRP B 176 70.996 3.489 0.670 1.00 0.00 H new ATOM 0 HA TRP B 176 69.388 5.365 2.049 1.00 0.00 H new ATOM 0 HB2 TRP B 176 69.320 2.934 2.505 1.00 0.00 H new ATOM 0 HB3 TRP B 176 71.008 2.929 2.979 1.00 0.00 H new ATOM 0 HD1 TRP B 176 67.582 4.238 4.161 1.00 0.00 H new ATOM 0 HE1 TRP B 176 67.650 4.649 6.712 1.00 0.00 H new ATOM 0 HE3 TRP B 176 72.550 3.383 4.976 1.00 0.00 H new ATOM 0 HZ2 TRP B 176 69.633 4.609 8.807 1.00 0.00 H new ATOM 0 HZ3 TRP B 176 73.502 3.576 7.254 1.00 0.00 H new ATOM 0 HH2 TRP B 176 72.052 4.188 9.171 1.00 0.00 H new ATOM 604 N LEU B 177 72.573 5.567 2.927 1.00 0.00 N ATOM 605 CA LEU B 177 73.464 6.490 3.698 1.00 0.00 C ATOM 606 C LEU B 177 73.260 7.915 3.203 1.00 0.00 C ATOM 607 O LEU B 177 73.191 8.849 3.971 1.00 0.00 O ATOM 608 CB LEU B 177 74.944 6.069 3.595 1.00 0.00 C ATOM 609 CG LEU B 177 75.546 6.386 2.196 1.00 0.00 C ATOM 610 CD1 LEU B 177 76.296 7.730 2.208 1.00 0.00 C ATOM 611 CD2 LEU B 177 76.537 5.283 1.794 1.00 0.00 C ATOM 0 H LEU B 177 73.044 4.835 2.396 1.00 0.00 H new ATOM 0 HA LEU B 177 73.196 6.436 4.753 1.00 0.00 H new ATOM 0 HB2 LEU B 177 75.521 6.584 4.363 1.00 0.00 H new ATOM 0 HB3 LEU B 177 75.031 5.001 3.793 1.00 0.00 H new ATOM 0 HG LEU B 177 74.723 6.440 1.483 1.00 0.00 H new ATOM 0 HD11 LEU B 177 76.707 7.926 1.218 1.00 0.00 H new ATOM 0 HD12 LEU B 177 75.606 8.529 2.480 1.00 0.00 H new ATOM 0 HD13 LEU B 177 77.107 7.688 2.935 1.00 0.00 H new ATOM 0 HD21 LEU B 177 76.956 5.510 0.814 1.00 0.00 H new ATOM 0 HD22 LEU B 177 77.341 5.231 2.528 1.00 0.00 H new ATOM 0 HD23 LEU B 177 76.019 4.325 1.754 1.00 0.00 H new ATOM 623 N SER B 178 73.126 8.035 1.897 1.00 0.00 N ATOM 624 CA SER B 178 72.894 9.347 1.222 1.00 0.00 C ATOM 625 C SER B 178 71.604 9.989 1.730 1.00 0.00 C ATOM 626 O SER B 178 71.516 11.181 1.893 1.00 0.00 O ATOM 627 CB SER B 178 72.853 9.170 -0.301 1.00 0.00 C ATOM 628 OG SER B 178 71.502 9.042 -0.725 1.00 0.00 O ATOM 0 H SER B 178 73.171 7.244 1.255 1.00 0.00 H new ATOM 0 HA SER B 178 73.723 10.012 1.464 1.00 0.00 H new ATOM 0 HB2 SER B 178 73.320 10.025 -0.790 1.00 0.00 H new ATOM 0 HB3 SER B 178 73.422 8.287 -0.591 1.00 0.00 H new ATOM 0 HG SER B 178 71.229 8.102 -0.670 1.00 0.00 H new ATOM 634 N LEU B 179 70.593 9.177 1.941 1.00 0.00 N ATOM 635 CA LEU B 179 69.274 9.686 2.404 1.00 0.00 C ATOM 636 C LEU B 179 69.396 10.421 3.748 1.00 0.00 C ATOM 637 O LEU B 179 68.707 11.391 3.969 1.00 0.00 O ATOM 638 CB LEU B 179 68.286 8.519 2.545 1.00 0.00 C ATOM 639 CG LEU B 179 66.849 9.055 2.730 1.00 0.00 C ATOM 640 CD1 LEU B 179 66.209 9.338 1.365 1.00 0.00 C ATOM 641 CD2 LEU B 179 65.999 8.011 3.465 1.00 0.00 C ATOM 0 H LEU B 179 70.634 8.167 1.808 1.00 0.00 H new ATOM 0 HA LEU B 179 68.908 10.394 1.660 1.00 0.00 H new ATOM 0 HB2 LEU B 179 68.334 7.884 1.661 1.00 0.00 H new ATOM 0 HB3 LEU B 179 68.563 7.899 3.398 1.00 0.00 H new ATOM 0 HG LEU B 179 66.894 9.977 3.310 1.00 0.00 H new ATOM 0 HD11 LEU B 179 65.197 9.715 1.509 1.00 0.00 H new ATOM 0 HD12 LEU B 179 66.801 10.082 0.833 1.00 0.00 H new ATOM 0 HD13 LEU B 179 66.174 8.418 0.782 1.00 0.00 H new ATOM 0 HD21 LEU B 179 64.986 8.392 3.594 1.00 0.00 H new ATOM 0 HD22 LEU B 179 65.969 7.090 2.882 1.00 0.00 H new ATOM 0 HD23 LEU B 179 66.437 7.808 4.442 1.00 0.00 H new ATOM 653 N LEU B 180 70.221 9.914 4.659 1.00 0.00 N ATOM 654 CA LEU B 180 70.343 10.531 6.023 1.00 0.00 C ATOM 655 C LEU B 180 70.800 12.003 6.009 1.00 0.00 C ATOM 656 O LEU B 180 70.342 12.768 6.814 1.00 0.00 O ATOM 657 CB LEU B 180 71.335 9.722 6.875 1.00 0.00 C ATOM 658 CG LEU B 180 71.202 10.115 8.352 1.00 0.00 C ATOM 659 CD1 LEU B 180 69.815 9.717 8.905 1.00 0.00 C ATOM 660 CD2 LEU B 180 72.309 9.422 9.161 1.00 0.00 C ATOM 0 H LEU B 180 70.812 9.097 4.507 1.00 0.00 H new ATOM 0 HA LEU B 180 69.339 10.510 6.447 1.00 0.00 H new ATOM 0 HB2 LEU B 180 71.144 8.656 6.756 1.00 0.00 H new ATOM 0 HB3 LEU B 180 72.354 9.904 6.532 1.00 0.00 H new ATOM 0 HG LEU B 180 71.303 11.197 8.440 1.00 0.00 H new ATOM 0 HD11 LEU B 180 69.745 10.006 9.954 1.00 0.00 H new ATOM 0 HD12 LEU B 180 69.037 10.225 8.336 1.00 0.00 H new ATOM 0 HD13 LEU B 180 69.684 8.639 8.816 1.00 0.00 H new ATOM 0 HD21 LEU B 180 72.219 9.698 10.212 1.00 0.00 H new ATOM 0 HD22 LEU B 180 72.211 8.341 9.060 1.00 0.00 H new ATOM 0 HD23 LEU B 180 73.284 9.734 8.786 1.00 0.00 H new ATOM 672 N LEU B 181 71.742 12.375 5.150 1.00 0.00 N ATOM 673 CA LEU B 181 72.251 13.801 5.105 1.00 0.00 C ATOM 674 C LEU B 181 71.178 14.875 4.769 1.00 0.00 C ATOM 675 O LEU B 181 71.250 15.979 5.261 1.00 0.00 O ATOM 676 CB LEU B 181 73.495 13.973 4.177 1.00 0.00 C ATOM 677 CG LEU B 181 73.517 12.969 2.993 1.00 0.00 C ATOM 678 CD1 LEU B 181 72.713 13.525 1.806 1.00 0.00 C ATOM 679 CD2 LEU B 181 74.974 12.729 2.549 1.00 0.00 C ATOM 0 H LEU B 181 72.181 11.748 4.476 1.00 0.00 H new ATOM 0 HA LEU B 181 72.554 13.986 6.136 1.00 0.00 H new ATOM 0 HB2 LEU B 181 73.509 14.989 3.784 1.00 0.00 H new ATOM 0 HB3 LEU B 181 74.402 13.847 4.769 1.00 0.00 H new ATOM 0 HG LEU B 181 73.068 12.031 3.320 1.00 0.00 H new ATOM 0 HD11 LEU B 181 72.737 12.810 0.983 1.00 0.00 H new ATOM 0 HD12 LEU B 181 71.680 13.691 2.112 1.00 0.00 H new ATOM 0 HD13 LEU B 181 73.151 14.468 1.480 1.00 0.00 H new ATOM 0 HD21 LEU B 181 74.990 12.024 1.718 1.00 0.00 H new ATOM 0 HD22 LEU B 181 75.418 13.673 2.233 1.00 0.00 H new ATOM 0 HD23 LEU B 181 75.546 12.320 3.382 1.00 0.00 H new ATOM 691 N LEU B 182 70.278 14.571 3.836 1.00 0.00 N ATOM 692 CA LEU B 182 69.266 15.597 3.319 1.00 0.00 C ATOM 693 C LEU B 182 68.324 16.199 4.385 1.00 0.00 C ATOM 694 O LEU B 182 68.035 17.376 4.314 1.00 0.00 O ATOM 695 CB LEU B 182 68.448 14.978 2.119 1.00 0.00 C ATOM 696 CG LEU B 182 66.915 15.135 2.279 1.00 0.00 C ATOM 697 CD1 LEU B 182 66.501 16.628 2.234 1.00 0.00 C ATOM 698 CD2 LEU B 182 66.225 14.363 1.143 1.00 0.00 C ATOM 0 H LEU B 182 70.198 13.650 3.405 1.00 0.00 H new ATOM 0 HA LEU B 182 69.857 16.448 2.980 1.00 0.00 H new ATOM 0 HB2 LEU B 182 68.761 15.456 1.190 1.00 0.00 H new ATOM 0 HB3 LEU B 182 68.691 13.919 2.030 1.00 0.00 H new ATOM 0 HG LEU B 182 66.611 14.736 3.247 1.00 0.00 H new ATOM 0 HD11 LEU B 182 65.420 16.709 2.349 1.00 0.00 H new ATOM 0 HD12 LEU B 182 66.993 17.167 3.044 1.00 0.00 H new ATOM 0 HD13 LEU B 182 66.798 17.059 1.278 1.00 0.00 H new ATOM 0 HD21 LEU B 182 65.144 14.462 1.240 1.00 0.00 H new ATOM 0 HD22 LEU B 182 66.542 14.769 0.182 1.00 0.00 H new ATOM 0 HD23 LEU B 182 66.499 13.310 1.200 1.00 0.00 H new ATOM 710 N PRO B 183 67.825 15.454 5.319 1.00 0.00 N ATOM 711 CA PRO B 183 66.901 15.987 6.364 1.00 0.00 C ATOM 712 C PRO B 183 67.551 16.744 7.561 1.00 0.00 C ATOM 713 O PRO B 183 66.837 17.444 8.251 1.00 0.00 O ATOM 714 CB PRO B 183 66.139 14.726 6.854 1.00 0.00 C ATOM 715 CG PRO B 183 66.728 13.553 6.107 1.00 0.00 C ATOM 716 CD PRO B 183 68.036 14.037 5.479 1.00 0.00 C ATOM 0 HA PRO B 183 66.279 16.767 5.926 1.00 0.00 H new ATOM 0 HB2 PRO B 183 66.253 14.597 7.930 1.00 0.00 H new ATOM 0 HB3 PRO B 183 65.071 14.816 6.655 1.00 0.00 H new ATOM 0 HG2 PRO B 183 66.910 12.717 6.783 1.00 0.00 H new ATOM 0 HG3 PRO B 183 66.039 13.199 5.340 1.00 0.00 H new ATOM 0 HD2 PRO B 183 68.892 13.828 6.121 1.00 0.00 H new ATOM 0 HD3 PRO B 183 68.228 13.549 4.524 1.00 0.00 H new ATOM 724 N ILE B 184 68.868 16.617 7.857 1.00 0.00 N ATOM 725 CA ILE B 184 69.401 17.365 9.036 1.00 0.00 C ATOM 726 C ILE B 184 69.452 18.890 8.782 1.00 0.00 C ATOM 727 O ILE B 184 69.190 19.662 9.681 1.00 0.00 O ATOM 728 CB ILE B 184 70.770 16.807 9.550 1.00 0.00 C ATOM 729 CG1 ILE B 184 71.187 15.505 8.830 1.00 0.00 C ATOM 730 CG2 ILE B 184 70.684 16.551 11.067 1.00 0.00 C ATOM 731 CD1 ILE B 184 70.192 14.363 9.068 1.00 0.00 C ATOM 0 H ILE B 184 69.542 16.050 7.343 1.00 0.00 H new ATOM 0 HA ILE B 184 68.688 17.198 9.844 1.00 0.00 H new ATOM 0 HB ILE B 184 71.530 17.557 9.331 1.00 0.00 H new ATOM 0 HG12 ILE B 184 71.269 15.695 7.760 1.00 0.00 H new ATOM 0 HG13 ILE B 184 72.175 15.201 9.177 1.00 0.00 H new ATOM 0 HG21 ILE B 184 71.637 16.162 11.425 1.00 0.00 H new ATOM 0 HG22 ILE B 184 70.457 17.485 11.581 1.00 0.00 H new ATOM 0 HG23 ILE B 184 69.897 15.824 11.269 1.00 0.00 H new ATOM 0 HD11 ILE B 184 70.530 13.470 8.541 1.00 0.00 H new ATOM 0 HD12 ILE B 184 70.129 14.152 10.136 1.00 0.00 H new ATOM 0 HD13 ILE B 184 69.209 14.653 8.697 1.00 0.00 H new ATOM 743 N PRO B 185 69.772 19.326 7.580 1.00 0.00 N ATOM 744 CA PRO B 185 69.835 20.786 7.232 1.00 0.00 C ATOM 745 C PRO B 185 68.547 21.526 7.599 1.00 0.00 C ATOM 746 O PRO B 185 68.527 22.733 7.699 1.00 0.00 O ATOM 747 CB PRO B 185 70.060 20.802 5.709 1.00 0.00 C ATOM 748 CG PRO B 185 70.658 19.470 5.384 1.00 0.00 C ATOM 749 CD PRO B 185 70.106 18.485 6.421 1.00 0.00 C ATOM 0 HA PRO B 185 70.623 21.297 7.785 1.00 0.00 H new ATOM 0 HB2 PRO B 185 69.122 20.953 5.174 1.00 0.00 H new ATOM 0 HB3 PRO B 185 70.727 21.614 5.418 1.00 0.00 H new ATOM 0 HG2 PRO B 185 70.391 19.160 4.373 1.00 0.00 H new ATOM 0 HG3 PRO B 185 71.746 19.511 5.428 1.00 0.00 H new ATOM 0 HD2 PRO B 185 69.228 17.961 6.044 1.00 0.00 H new ATOM 0 HD3 PRO B 185 70.844 17.725 6.680 1.00 0.00 H new ATOM 1075 N GLY C 175 79.768 11.889 -5.417 1.00 0.00 N ATOM 1076 CA GLY C 175 80.484 12.967 -4.684 1.00 0.00 C ATOM 1077 C GLY C 175 79.524 14.014 -4.096 1.00 0.00 C ATOM 1078 O GLY C 175 79.759 14.510 -3.015 1.00 0.00 O ATOM 0 HA2 GLY C 175 81.073 12.526 -3.880 1.00 0.00 H new ATOM 0 HA3 GLY C 175 81.184 13.459 -5.359 1.00 0.00 H new ATOM 1082 N TRP C 176 78.473 14.386 -4.841 1.00 0.00 N ATOM 1083 CA TRP C 176 77.533 15.449 -4.363 1.00 0.00 C ATOM 1084 C TRP C 176 76.838 15.107 -3.037 1.00 0.00 C ATOM 1085 O TRP C 176 76.688 15.974 -2.199 1.00 0.00 O ATOM 1086 CB TRP C 176 76.465 15.702 -5.439 1.00 0.00 C ATOM 1087 CG TRP C 176 77.052 16.494 -6.569 1.00 0.00 C ATOM 1088 CD1 TRP C 176 78.224 16.220 -7.192 1.00 0.00 C ATOM 1089 CD2 TRP C 176 76.514 17.683 -7.218 1.00 0.00 C ATOM 1090 NE1 TRP C 176 78.439 17.168 -8.176 1.00 0.00 N ATOM 1091 CE2 TRP C 176 77.413 18.091 -8.232 1.00 0.00 C ATOM 1092 CE3 TRP C 176 75.345 18.440 -7.024 1.00 0.00 C ATOM 1093 CZ2 TRP C 176 77.161 19.211 -9.025 1.00 0.00 C ATOM 1094 CZ3 TRP C 176 75.088 19.568 -7.822 1.00 0.00 C ATOM 1095 CH2 TRP C 176 75.995 19.953 -8.819 1.00 0.00 C ATOM 0 H TRP C 176 78.243 13.990 -5.752 1.00 0.00 H new ATOM 0 HA TRP C 176 78.135 16.339 -4.182 1.00 0.00 H new ATOM 0 HB2 TRP C 176 76.080 14.753 -5.811 1.00 0.00 H new ATOM 0 HB3 TRP C 176 75.622 16.240 -5.006 1.00 0.00 H new ATOM 0 HD1 TRP C 176 78.882 15.396 -6.958 1.00 0.00 H new ATOM 0 HE1 TRP C 176 79.256 17.184 -8.786 1.00 0.00 H new ATOM 0 HE3 TRP C 176 74.641 18.153 -6.257 1.00 0.00 H new ATOM 0 HZ2 TRP C 176 77.862 19.502 -9.793 1.00 0.00 H new ATOM 0 HZ3 TRP C 176 74.186 20.142 -7.666 1.00 0.00 H new ATOM 0 HH2 TRP C 176 75.793 20.822 -9.427 1.00 0.00 H new ATOM 1106 N LEU C 177 76.418 13.858 -2.839 1.00 0.00 N ATOM 1107 CA LEU C 177 75.740 13.508 -1.550 1.00 0.00 C ATOM 1108 C LEU C 177 76.680 13.763 -0.380 1.00 0.00 C ATOM 1109 O LEU C 177 76.282 14.251 0.654 1.00 0.00 O ATOM 1110 CB LEU C 177 75.245 12.049 -1.548 1.00 0.00 C ATOM 1111 CG LEU C 177 76.422 11.040 -1.446 1.00 0.00 C ATOM 1112 CD1 LEU C 177 76.637 10.587 0.005 1.00 0.00 C ATOM 1113 CD2 LEU C 177 76.118 9.799 -2.295 1.00 0.00 C ATOM 0 H LEU C 177 76.518 13.092 -3.505 1.00 0.00 H new ATOM 0 HA LEU C 177 74.863 14.147 -1.444 1.00 0.00 H new ATOM 0 HB2 LEU C 177 74.563 11.898 -0.711 1.00 0.00 H new ATOM 0 HB3 LEU C 177 74.679 11.856 -2.459 1.00 0.00 H new ATOM 0 HG LEU C 177 77.321 11.541 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU C 177 77.467 9.881 0.047 1.00 0.00 H new ATOM 0 HD12 LEU C 177 76.865 11.453 0.626 1.00 0.00 H new ATOM 0 HD13 LEU C 177 75.732 10.105 0.374 1.00 0.00 H new ATOM 0 HD21 LEU C 177 76.947 9.095 -2.220 1.00 0.00 H new ATOM 0 HD22 LEU C 177 75.205 9.325 -1.933 1.00 0.00 H new ATOM 0 HD23 LEU C 177 75.986 10.094 -3.336 1.00 0.00 H new ATOM 1125 N SER C 178 77.936 13.418 -0.592 1.00 0.00 N ATOM 1126 CA SER C 178 79.003 13.587 0.441 1.00 0.00 C ATOM 1127 C SER C 178 79.157 15.053 0.855 1.00 0.00 C ATOM 1128 O SER C 178 79.380 15.349 1.996 1.00 0.00 O ATOM 1129 CB SER C 178 80.332 13.038 -0.082 1.00 0.00 C ATOM 1130 OG SER C 178 81.077 14.093 -0.675 1.00 0.00 O ATOM 0 H SER C 178 78.268 13.014 -1.468 1.00 0.00 H new ATOM 0 HA SER C 178 78.707 13.024 1.326 1.00 0.00 H new ATOM 0 HB2 SER C 178 80.900 12.591 0.734 1.00 0.00 H new ATOM 0 HB3 SER C 178 80.150 12.250 -0.813 1.00 0.00 H new ATOM 0 HG SER C 178 80.645 14.369 -1.510 1.00 0.00 H new ATOM 1136 N LEU C 179 79.062 15.961 -0.093 1.00 0.00 N ATOM 1137 CA LEU C 179 79.211 17.419 0.209 1.00 0.00 C ATOM 1138 C LEU C 179 78.159 17.895 1.221 1.00 0.00 C ATOM 1139 O LEU C 179 78.436 18.742 2.043 1.00 0.00 O ATOM 1140 CB LEU C 179 79.084 18.245 -1.076 1.00 0.00 C ATOM 1141 CG LEU C 179 80.107 17.772 -2.116 1.00 0.00 C ATOM 1142 CD1 LEU C 179 79.887 18.537 -3.425 1.00 0.00 C ATOM 1143 CD2 LEU C 179 81.536 18.024 -1.606 1.00 0.00 C ATOM 0 H LEU C 179 78.885 15.747 -1.075 1.00 0.00 H new ATOM 0 HA LEU C 179 80.200 17.562 0.643 1.00 0.00 H new ATOM 0 HB2 LEU C 179 78.076 18.151 -1.479 1.00 0.00 H new ATOM 0 HB3 LEU C 179 79.242 19.301 -0.855 1.00 0.00 H new ATOM 0 HG LEU C 179 79.977 16.703 -2.287 1.00 0.00 H new ATOM 0 HD11 LEU C 179 80.612 18.204 -4.167 1.00 0.00 H new ATOM 0 HD12 LEU C 179 78.878 18.347 -3.792 1.00 0.00 H new ATOM 0 HD13 LEU C 179 80.014 19.605 -3.248 1.00 0.00 H new ATOM 0 HD21 LEU C 179 82.254 17.684 -2.352 1.00 0.00 H new ATOM 0 HD22 LEU C 179 81.676 19.090 -1.427 1.00 0.00 H new ATOM 0 HD23 LEU C 179 81.692 17.476 -0.677 1.00 0.00 H new ATOM 1155 N LEU C 180 76.938 17.394 1.092 1.00 0.00 N ATOM 1156 CA LEU C 180 75.789 17.832 1.955 1.00 0.00 C ATOM 1157 C LEU C 180 76.002 17.606 3.470 1.00 0.00 C ATOM 1158 O LEU C 180 75.571 18.407 4.254 1.00 0.00 O ATOM 1159 CB LEU C 180 74.543 17.053 1.510 1.00 0.00 C ATOM 1160 CG LEU C 180 73.261 17.826 1.833 1.00 0.00 C ATOM 1161 CD1 LEU C 180 73.168 19.121 0.993 1.00 0.00 C ATOM 1162 CD2 LEU C 180 72.063 16.921 1.537 1.00 0.00 C ATOM 0 H LEU C 180 76.692 16.682 0.404 1.00 0.00 H new ATOM 0 HA LEU C 180 75.685 18.909 1.824 1.00 0.00 H new ATOM 0 HB2 LEU C 180 74.595 16.861 0.438 1.00 0.00 H new ATOM 0 HB3 LEU C 180 74.521 16.083 2.007 1.00 0.00 H new ATOM 0 HG LEU C 180 73.268 18.113 2.884 1.00 0.00 H new ATOM 0 HD11 LEU C 180 72.248 19.651 1.242 1.00 0.00 H new ATOM 0 HD12 LEU C 180 74.025 19.759 1.211 1.00 0.00 H new ATOM 0 HD13 LEU C 180 73.165 18.868 -0.067 1.00 0.00 H new ATOM 0 HD21 LEU C 180 71.140 17.455 1.761 1.00 0.00 H new ATOM 0 HD22 LEU C 180 72.072 16.638 0.484 1.00 0.00 H new ATOM 0 HD23 LEU C 180 72.123 16.025 2.154 1.00 0.00 H new ATOM 1174 N LEU C 181 76.594 16.491 3.864 1.00 0.00 N ATOM 1175 CA LEU C 181 76.816 16.179 5.329 1.00 0.00 C ATOM 1176 C LEU C 181 77.704 17.210 6.081 1.00 0.00 C ATOM 1177 O LEU C 181 77.489 17.468 7.248 1.00 0.00 O ATOM 1178 CB LEU C 181 77.366 14.735 5.544 1.00 0.00 C ATOM 1179 CG LEU C 181 78.264 14.263 4.373 1.00 0.00 C ATOM 1180 CD1 LEU C 181 79.687 14.846 4.503 1.00 0.00 C ATOM 1181 CD2 LEU C 181 78.333 12.721 4.356 1.00 0.00 C ATOM 0 H LEU C 181 76.938 15.774 3.225 1.00 0.00 H new ATOM 0 HA LEU C 181 75.822 16.251 5.771 1.00 0.00 H new ATOM 0 HB2 LEU C 181 77.937 14.701 6.472 1.00 0.00 H new ATOM 0 HB3 LEU C 181 76.530 14.044 5.658 1.00 0.00 H new ATOM 0 HG LEU C 181 77.828 14.619 3.440 1.00 0.00 H new ATOM 0 HD11 LEU C 181 80.299 14.501 3.670 1.00 0.00 H new ATOM 0 HD12 LEU C 181 79.637 15.935 4.490 1.00 0.00 H new ATOM 0 HD13 LEU C 181 80.132 14.515 5.441 1.00 0.00 H new ATOM 0 HD21 LEU C 181 78.966 12.394 3.531 1.00 0.00 H new ATOM 0 HD22 LEU C 181 78.752 12.365 5.297 1.00 0.00 H new ATOM 0 HD23 LEU C 181 77.330 12.313 4.228 1.00 0.00 H new ATOM 1193 N LEU C 182 78.756 17.695 5.425 1.00 0.00 N ATOM 1194 CA LEU C 182 79.779 18.610 6.072 1.00 0.00 C ATOM 1195 C LEU C 182 79.236 19.943 6.641 1.00 0.00 C ATOM 1196 O LEU C 182 79.714 20.374 7.667 1.00 0.00 O ATOM 1197 CB LEU C 182 80.913 18.879 5.045 1.00 0.00 C ATOM 1198 CG LEU C 182 82.072 19.728 5.628 1.00 0.00 C ATOM 1199 CD1 LEU C 182 81.682 21.221 5.767 1.00 0.00 C ATOM 1200 CD2 LEU C 182 82.530 19.162 6.983 1.00 0.00 C ATOM 0 H LEU C 182 78.950 17.488 4.445 1.00 0.00 H new ATOM 0 HA LEU C 182 80.140 18.081 6.954 1.00 0.00 H new ATOM 0 HB2 LEU C 182 81.310 17.927 4.693 1.00 0.00 H new ATOM 0 HB3 LEU C 182 80.496 19.391 4.178 1.00 0.00 H new ATOM 0 HG LEU C 182 82.902 19.671 4.924 1.00 0.00 H new ATOM 0 HD11 LEU C 182 82.522 21.780 6.179 1.00 0.00 H new ATOM 0 HD12 LEU C 182 81.425 21.623 4.787 1.00 0.00 H new ATOM 0 HD13 LEU C 182 80.824 21.312 6.433 1.00 0.00 H new ATOM 0 HD21 LEU C 182 83.344 19.772 7.376 1.00 0.00 H new ATOM 0 HD22 LEU C 182 81.695 19.176 7.684 1.00 0.00 H new ATOM 0 HD23 LEU C 182 82.876 18.137 6.851 1.00 0.00 H new ATOM 1212 N PRO C 183 78.321 20.631 6.005 1.00 0.00 N ATOM 1213 CA PRO C 183 77.811 21.953 6.495 1.00 0.00 C ATOM 1214 C PRO C 183 76.754 21.943 7.643 1.00 0.00 C ATOM 1215 O PRO C 183 76.638 22.949 8.312 1.00 0.00 O ATOM 1216 CB PRO C 183 77.229 22.612 5.212 1.00 0.00 C ATOM 1217 CG PRO C 183 77.495 21.639 4.096 1.00 0.00 C ATOM 1218 CD PRO C 183 77.664 20.285 4.764 1.00 0.00 C ATOM 0 HA PRO C 183 78.631 22.488 6.974 1.00 0.00 H new ATOM 0 HB2 PRO C 183 76.161 22.801 5.320 1.00 0.00 H new ATOM 0 HB3 PRO C 183 77.705 23.573 5.015 1.00 0.00 H new ATOM 0 HG2 PRO C 183 76.670 21.624 3.384 1.00 0.00 H new ATOM 0 HG3 PRO C 183 78.391 21.916 3.540 1.00 0.00 H new ATOM 0 HD2 PRO C 183 76.706 19.794 4.935 1.00 0.00 H new ATOM 0 HD3 PRO C 183 78.267 19.607 4.160 1.00 0.00 H new ATOM 1226 N ILE C 184 75.961 20.867 7.895 1.00 0.00 N ATOM 1227 CA ILE C 184 74.961 20.991 9.015 1.00 0.00 C ATOM 1228 C ILE C 184 75.626 21.022 10.406 1.00 0.00 C ATOM 1229 O ILE C 184 75.135 21.690 11.295 1.00 0.00 O ATOM 1230 CB ILE C 184 73.840 19.924 8.981 1.00 0.00 C ATOM 1231 CG1 ILE C 184 73.237 19.799 7.579 1.00 0.00 C ATOM 1232 CG2 ILE C 184 72.727 20.382 9.940 1.00 0.00 C ATOM 1233 CD1 ILE C 184 74.245 19.176 6.601 1.00 0.00 C ATOM 0 H ILE C 184 75.977 19.977 7.396 1.00 0.00 H new ATOM 0 HA ILE C 184 74.485 21.956 8.840 1.00 0.00 H new ATOM 0 HB ILE C 184 74.259 18.960 9.269 1.00 0.00 H new ATOM 0 HG12 ILE C 184 72.337 19.185 7.619 1.00 0.00 H new ATOM 0 HG13 ILE C 184 72.936 20.783 7.219 1.00 0.00 H new ATOM 0 HG21 ILE C 184 71.920 19.649 9.938 1.00 0.00 H new ATOM 0 HG22 ILE C 184 73.131 20.475 10.948 1.00 0.00 H new ATOM 0 HG23 ILE C 184 72.340 21.348 9.614 1.00 0.00 H new ATOM 0 HD11 ILE C 184 73.792 19.098 5.612 1.00 0.00 H new ATOM 0 HD12 ILE C 184 75.134 19.805 6.545 1.00 0.00 H new ATOM 0 HD13 ILE C 184 74.525 18.182 6.951 1.00 0.00 H new