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 -71:sc= 1.18 USER MOD Single : B 178 SER OG : rot -86:sc= 1.06 USER MOD Single : C 178 SER OG : rot -92:sc= 0.941 USER MOD ----------------------------------------------------------------- ATOM 52 N LEU A 174 85.042 6.194 0.400 1.00 0.00 N ATOM 53 CA LEU A 174 83.564 6.336 0.270 1.00 0.00 C ATOM 54 C LEU A 174 82.867 6.082 1.599 1.00 0.00 C ATOM 55 O LEU A 174 81.917 6.749 1.935 1.00 0.00 O ATOM 56 CB LEU A 174 83.036 5.349 -0.776 1.00 0.00 C ATOM 57 CG LEU A 174 83.725 5.594 -2.125 1.00 0.00 C ATOM 58 CD1 LEU A 174 83.419 4.424 -3.066 1.00 0.00 C ATOM 59 CD2 LEU A 174 83.216 6.902 -2.756 1.00 0.00 C ATOM 0 HA LEU A 174 83.351 7.358 -0.043 1.00 0.00 H new ATOM 0 HB2 LEU A 174 83.217 4.326 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 174 81.957 5.463 -0.883 1.00 0.00 H new ATOM 0 HG LEU A 174 84.800 5.674 -1.966 1.00 0.00 H new ATOM 0 HD11 LEU A 174 83.906 4.593 -4.026 1.00 0.00 H new ATOM 0 HD12 LEU A 174 83.791 3.498 -2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 174 82.342 4.348 -3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 174 83.714 7.062 -3.712 1.00 0.00 H new ATOM 0 HD22 LEU A 174 82.140 6.835 -2.914 1.00 0.00 H new ATOM 0 HD23 LEU A 174 83.434 7.736 -2.089 1.00 0.00 H new ATOM 71 N GLY A 175 83.341 5.096 2.337 1.00 0.00 N ATOM 72 CA GLY A 175 82.721 4.757 3.646 1.00 0.00 C ATOM 73 C GLY A 175 82.766 5.935 4.632 1.00 0.00 C ATOM 74 O GLY A 175 81.832 6.137 5.382 1.00 0.00 O ATOM 0 H GLY A 175 84.137 4.514 2.077 1.00 0.00 H new ATOM 0 HA2 GLY A 175 81.685 4.457 3.489 1.00 0.00 H new ATOM 0 HA3 GLY A 175 83.238 3.902 4.081 1.00 0.00 H new ATOM 78 N TRP A 176 83.880 6.679 4.661 1.00 0.00 N ATOM 79 CA TRP A 176 84.024 7.806 5.635 1.00 0.00 C ATOM 80 C TRP A 176 82.956 8.899 5.479 1.00 0.00 C ATOM 81 O TRP A 176 82.475 9.409 6.472 1.00 0.00 O ATOM 82 CB TRP A 176 85.418 8.433 5.488 1.00 0.00 C ATOM 83 CG TRP A 176 85.796 9.142 6.753 1.00 0.00 C ATOM 84 CD1 TRP A 176 85.841 10.485 6.913 1.00 0.00 C ATOM 85 CD2 TRP A 176 86.183 8.564 8.034 1.00 0.00 C ATOM 86 NE1 TRP A 176 86.232 10.767 8.211 1.00 0.00 N ATOM 87 CE2 TRP A 176 86.454 9.616 8.940 1.00 0.00 C ATOM 88 CE3 TRP A 176 86.324 7.242 8.490 1.00 0.00 C ATOM 89 CZ2 TRP A 176 86.851 9.363 10.256 1.00 0.00 C ATOM 90 CZ3 TRP A 176 86.723 6.983 9.811 1.00 0.00 C ATOM 91 CH2 TRP A 176 86.986 8.042 10.693 1.00 0.00 C ATOM 0 H TRP A 176 84.682 6.539 4.046 1.00 0.00 H new ATOM 0 HA TRP A 176 83.888 7.377 6.628 1.00 0.00 H new ATOM 0 HB2 TRP A 176 86.152 7.660 5.261 1.00 0.00 H new ATOM 0 HB3 TRP A 176 85.425 9.133 4.653 1.00 0.00 H new ATOM 0 HD1 TRP A 176 85.610 11.217 6.153 1.00 0.00 H new ATOM 0 HE1 TRP A 176 86.343 11.710 8.583 1.00 0.00 H new ATOM 0 HE3 TRP A 176 86.124 6.419 7.819 1.00 0.00 H new ATOM 0 HZ2 TRP A 176 87.052 10.182 10.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 176 86.828 5.963 10.150 1.00 0.00 H new ATOM 0 HH2 TRP A 176 87.292 7.837 11.708 1.00 0.00 H new ATOM 102 N LEU A 177 82.587 9.270 4.251 1.00 0.00 N ATOM 103 CA LEU A 177 81.553 10.341 4.092 1.00 0.00 C ATOM 104 C LEU A 177 80.252 9.909 4.753 1.00 0.00 C ATOM 105 O LEU A 177 79.596 10.686 5.411 1.00 0.00 O ATOM 106 CB LEU A 177 81.330 10.698 2.609 1.00 0.00 C ATOM 107 CG LEU A 177 80.590 9.561 1.850 1.00 0.00 C ATOM 108 CD1 LEU A 177 79.086 9.857 1.750 1.00 0.00 C ATOM 109 CD2 LEU A 177 81.149 9.430 0.425 1.00 0.00 C ATOM 0 H LEU A 177 82.955 8.880 3.383 1.00 0.00 H new ATOM 0 HA LEU A 177 81.916 11.242 4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 177 80.751 11.619 2.539 1.00 0.00 H new ATOM 0 HB3 LEU A 177 82.291 10.889 2.132 1.00 0.00 H new ATOM 0 HG LEU A 177 80.743 8.636 2.406 1.00 0.00 H new ATOM 0 HD11 LEU A 177 78.591 9.047 1.215 1.00 0.00 H new ATOM 0 HD12 LEU A 177 78.664 9.941 2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 177 78.934 10.793 1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 177 80.625 8.631 -0.099 1.00 0.00 H new ATOM 0 HD22 LEU A 177 81.007 10.369 -0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 177 82.213 9.197 0.471 1.00 0.00 H new ATOM 121 N SER A 178 79.920 8.642 4.590 1.00 0.00 N ATOM 122 CA SER A 178 78.681 8.070 5.201 1.00 0.00 C ATOM 123 C SER A 178 78.735 8.215 6.724 1.00 0.00 C ATOM 124 O SER A 178 77.752 8.489 7.361 1.00 0.00 O ATOM 125 CB SER A 178 78.504 6.602 4.797 1.00 0.00 C ATOM 126 OG SER A 178 79.215 5.772 5.706 1.00 0.00 O ATOM 0 H SER A 178 80.470 7.975 4.049 1.00 0.00 H new ATOM 0 HA SER A 178 77.819 8.623 4.829 1.00 0.00 H new ATOM 0 HB2 SER A 178 77.446 6.338 4.798 1.00 0.00 H new ATOM 0 HB3 SER A 178 78.870 6.446 3.782 1.00 0.00 H new ATOM 0 HG SER A 178 80.178 5.882 5.564 1.00 0.00 H new ATOM 132 N LEU A 179 79.896 8.010 7.301 1.00 0.00 N ATOM 133 CA LEU A 179 80.047 8.125 8.782 1.00 0.00 C ATOM 134 C LEU A 179 79.667 9.534 9.269 1.00 0.00 C ATOM 135 O LEU A 179 79.089 9.684 10.329 1.00 0.00 O ATOM 136 CB LEU A 179 81.497 7.814 9.173 1.00 0.00 C ATOM 137 CG LEU A 179 81.629 7.680 10.703 1.00 0.00 C ATOM 138 CD1 LEU A 179 81.174 6.289 11.164 1.00 0.00 C ATOM 139 CD2 LEU A 179 83.093 7.881 11.109 1.00 0.00 C ATOM 0 H LEU A 179 80.751 7.766 6.802 1.00 0.00 H new ATOM 0 HA LEU A 179 79.375 7.409 9.255 1.00 0.00 H new ATOM 0 HB2 LEU A 179 81.819 6.890 8.692 1.00 0.00 H new ATOM 0 HB3 LEU A 179 82.154 8.606 8.814 1.00 0.00 H new ATOM 0 HG LEU A 179 81.000 8.436 11.172 1.00 0.00 H new ATOM 0 HD11 LEU A 179 81.275 6.214 12.247 1.00 0.00 H new ATOM 0 HD12 LEU A 179 80.131 6.136 10.885 1.00 0.00 H new ATOM 0 HD13 LEU A 179 81.792 5.528 10.688 1.00 0.00 H new ATOM 0 HD21 LEU A 179 83.187 7.786 12.191 1.00 0.00 H new ATOM 0 HD22 LEU A 179 83.712 7.126 10.624 1.00 0.00 H new ATOM 0 HD23 LEU A 179 83.423 8.873 10.802 1.00 0.00 H new ATOM 151 N LEU A 180 80.046 10.558 8.507 1.00 0.00 N ATOM 152 CA LEU A 180 79.785 11.985 8.906 1.00 0.00 C ATOM 153 C LEU A 180 78.292 12.325 9.093 1.00 0.00 C ATOM 154 O LEU A 180 77.964 13.095 9.966 1.00 0.00 O ATOM 155 CB LEU A 180 80.402 12.954 7.879 1.00 0.00 C ATOM 156 CG LEU A 180 80.761 14.285 8.566 1.00 0.00 C ATOM 157 CD1 LEU A 180 82.043 14.142 9.414 1.00 0.00 C ATOM 158 CD2 LEU A 180 80.981 15.369 7.515 1.00 0.00 C ATOM 0 H LEU A 180 80.531 10.453 7.616 1.00 0.00 H new ATOM 0 HA LEU A 180 80.259 12.104 9.880 1.00 0.00 H new ATOM 0 HB2 LEU A 180 81.294 12.510 7.437 1.00 0.00 H new ATOM 0 HB3 LEU A 180 79.699 13.132 7.066 1.00 0.00 H new ATOM 0 HG LEU A 180 79.933 14.560 9.220 1.00 0.00 H new ATOM 0 HD11 LEU A 180 82.274 15.096 9.888 1.00 0.00 H new ATOM 0 HD12 LEU A 180 81.889 13.383 10.181 1.00 0.00 H new ATOM 0 HD13 LEU A 180 82.873 13.845 8.772 1.00 0.00 H new ATOM 0 HD21 LEU A 180 81.235 16.308 8.008 1.00 0.00 H new ATOM 0 HD22 LEU A 180 81.796 15.075 6.854 1.00 0.00 H new ATOM 0 HD23 LEU A 180 80.070 15.500 6.931 1.00 0.00 H new ATOM 170 N LEU A 181 77.404 11.817 8.248 1.00 0.00 N ATOM 171 CA LEU A 181 75.931 12.147 8.377 1.00 0.00 C ATOM 172 C LEU A 181 75.301 11.714 9.731 1.00 0.00 C ATOM 173 O LEU A 181 74.460 12.414 10.256 1.00 0.00 O ATOM 174 CB LEU A 181 75.095 11.588 7.182 1.00 0.00 C ATOM 175 CG LEU A 181 75.703 10.297 6.573 1.00 0.00 C ATOM 176 CD1 LEU A 181 75.248 9.062 7.367 1.00 0.00 C ATOM 177 CD2 LEU A 181 75.256 10.142 5.103 1.00 0.00 C ATOM 0 H LEU A 181 77.636 11.190 7.477 1.00 0.00 H new ATOM 0 HA LEU A 181 75.890 13.236 8.351 1.00 0.00 H new ATOM 0 HB2 LEU A 181 74.080 11.381 7.520 1.00 0.00 H new ATOM 0 HB3 LEU A 181 75.023 12.351 6.407 1.00 0.00 H new ATOM 0 HG LEU A 181 76.789 10.377 6.621 1.00 0.00 H new ATOM 0 HD11 LEU A 181 75.684 8.165 6.926 1.00 0.00 H new ATOM 0 HD12 LEU A 181 75.576 9.154 8.402 1.00 0.00 H new ATOM 0 HD13 LEU A 181 74.161 8.990 7.336 1.00 0.00 H new ATOM 0 HD21 LEU A 181 75.688 9.233 4.685 1.00 0.00 H new ATOM 0 HD22 LEU A 181 74.169 10.081 5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 181 75.595 11.003 4.527 1.00 0.00 H new ATOM 189 N LEU A 182 75.667 10.537 10.245 1.00 0.00 N ATOM 190 CA LEU A 182 75.056 9.994 11.525 1.00 0.00 C ATOM 191 C LEU A 182 75.246 10.883 12.788 1.00 0.00 C ATOM 192 O LEU A 182 74.316 11.011 13.558 1.00 0.00 O ATOM 193 CB LEU A 182 75.641 8.583 11.762 1.00 0.00 C ATOM 194 CG LEU A 182 75.068 7.896 13.026 1.00 0.00 C ATOM 195 CD1 LEU A 182 75.650 8.504 14.325 1.00 0.00 C ATOM 196 CD2 LEU A 182 73.533 7.986 13.029 1.00 0.00 C ATOM 0 H LEU A 182 76.369 9.928 9.825 1.00 0.00 H new ATOM 0 HA LEU A 182 73.976 9.975 11.379 1.00 0.00 H new ATOM 0 HB2 LEU A 182 75.436 7.960 10.892 1.00 0.00 H new ATOM 0 HB3 LEU A 182 76.725 8.656 11.854 1.00 0.00 H new ATOM 0 HG LEU A 182 75.364 6.847 12.997 1.00 0.00 H new ATOM 0 HD11 LEU A 182 75.223 7.994 15.189 1.00 0.00 H new ATOM 0 HD12 LEU A 182 76.733 8.381 14.331 1.00 0.00 H new ATOM 0 HD13 LEU A 182 75.405 9.565 14.372 1.00 0.00 H new ATOM 0 HD21 LEU A 182 73.142 7.500 13.923 1.00 0.00 H new ATOM 0 HD22 LEU A 182 73.230 9.033 13.024 1.00 0.00 H new ATOM 0 HD23 LEU A 182 73.138 7.489 12.143 1.00 0.00 H new ATOM 208 N PRO A 183 76.385 11.498 13.022 1.00 0.00 N ATOM 209 CA PRO A 183 76.606 12.401 14.219 1.00 0.00 C ATOM 210 C PRO A 183 75.830 13.757 14.298 1.00 0.00 C ATOM 211 O PRO A 183 75.505 14.149 15.401 1.00 0.00 O ATOM 212 CB PRO A 183 78.128 12.654 14.189 1.00 0.00 C ATOM 213 CG PRO A 183 78.497 12.495 12.759 1.00 0.00 C ATOM 214 CD PRO A 183 77.620 11.358 12.248 1.00 0.00 C ATOM 0 HA PRO A 183 76.207 11.897 15.099 1.00 0.00 H new ATOM 0 HB2 PRO A 183 78.373 13.651 14.555 1.00 0.00 H new ATOM 0 HB3 PRO A 183 78.662 11.943 14.819 1.00 0.00 H new ATOM 0 HG2 PRO A 183 78.317 13.414 12.201 1.00 0.00 H new ATOM 0 HG3 PRO A 183 79.555 12.257 12.649 1.00 0.00 H new ATOM 0 HD2 PRO A 183 77.434 11.446 11.178 1.00 0.00 H new ATOM 0 HD3 PRO A 183 78.087 10.387 12.412 1.00 0.00 H new ATOM 222 N ILE A 184 75.544 14.523 13.206 1.00 0.00 N ATOM 223 CA ILE A 184 74.828 15.826 13.452 1.00 0.00 C ATOM 224 C ILE A 184 73.369 15.622 13.890 1.00 0.00 C ATOM 225 O ILE A 184 72.876 16.364 14.712 1.00 0.00 O ATOM 226 CB ILE A 184 74.908 16.836 12.273 1.00 0.00 C ATOM 227 CG1 ILE A 184 76.314 16.847 11.651 1.00 0.00 C ATOM 228 CG2 ILE A 184 74.612 18.242 12.834 1.00 0.00 C ATOM 229 CD1 ILE A 184 76.504 15.671 10.675 1.00 0.00 C ATOM 0 H ILE A 184 75.768 14.300 12.236 1.00 0.00 H new ATOM 0 HA ILE A 184 75.377 16.277 14.279 1.00 0.00 H new ATOM 0 HB ILE A 184 74.190 16.548 11.505 1.00 0.00 H new ATOM 0 HG12 ILE A 184 76.474 17.788 11.125 1.00 0.00 H new ATOM 0 HG13 ILE A 184 77.064 16.792 12.440 1.00 0.00 H new ATOM 0 HG21 ILE A 184 74.661 18.973 12.027 1.00 0.00 H new ATOM 0 HG22 ILE A 184 73.615 18.255 13.275 1.00 0.00 H new ATOM 0 HG23 ILE A 184 75.350 18.492 13.596 1.00 0.00 H new ATOM 0 HD11 ILE A 184 77.508 15.707 10.252 1.00 0.00 H new ATOM 0 HD12 ILE A 184 76.369 14.730 11.208 1.00 0.00 H new ATOM 0 HD13 ILE A 184 75.770 15.742 9.872 1.00 0.00 H new ATOM 573 N GLY B 175 72.104 4.085 -1.266 1.00 0.00 N ATOM 574 CA GLY B 175 71.139 5.214 -1.325 1.00 0.00 C ATOM 575 C GLY B 175 70.703 5.670 0.075 1.00 0.00 C ATOM 576 O GLY B 175 70.523 6.848 0.302 1.00 0.00 O ATOM 0 HA2 GLY B 175 71.593 6.052 -1.854 1.00 0.00 H new ATOM 0 HA3 GLY B 175 70.262 4.912 -1.898 1.00 0.00 H new ATOM 580 N TRP B 176 70.486 4.720 0.996 1.00 0.00 N ATOM 581 CA TRP B 176 69.998 5.077 2.364 1.00 0.00 C ATOM 582 C TRP B 176 70.942 6.012 3.131 1.00 0.00 C ATOM 583 O TRP B 176 70.476 6.919 3.793 1.00 0.00 O ATOM 584 CB TRP B 176 69.796 3.796 3.175 1.00 0.00 C ATOM 585 CG TRP B 176 69.265 4.136 4.530 1.00 0.00 C ATOM 586 CD1 TRP B 176 67.996 4.523 4.791 1.00 0.00 C ATOM 587 CD2 TRP B 176 69.961 4.126 5.811 1.00 0.00 C ATOM 588 NE1 TRP B 176 67.867 4.747 6.149 1.00 0.00 N ATOM 589 CE2 TRP B 176 69.051 4.517 6.821 1.00 0.00 C ATOM 590 CE3 TRP B 176 71.280 3.816 6.190 1.00 0.00 C ATOM 591 CZ2 TRP B 176 69.436 4.598 8.161 1.00 0.00 C ATOM 592 CZ3 TRP B 176 71.671 3.897 7.536 1.00 0.00 C ATOM 593 CH2 TRP B 176 70.751 4.287 8.519 1.00 0.00 C ATOM 0 H TRP B 176 70.631 3.723 0.840 1.00 0.00 H new ATOM 0 HA TRP B 176 69.061 5.617 2.230 1.00 0.00 H new ATOM 0 HB2 TRP B 176 69.103 3.132 2.658 1.00 0.00 H new ATOM 0 HB3 TRP B 176 70.741 3.260 3.268 1.00 0.00 H new ATOM 0 HD1 TRP B 176 67.211 4.638 4.058 1.00 0.00 H new ATOM 0 HE1 TRP B 176 67.002 5.046 6.600 1.00 0.00 H new ATOM 0 HE3 TRP B 176 71.996 3.514 5.441 1.00 0.00 H new ATOM 0 HZ2 TRP B 176 68.723 4.899 8.915 1.00 0.00 H new ATOM 0 HZ3 TRP B 176 72.686 3.657 7.816 1.00 0.00 H new ATOM 0 HH2 TRP B 176 71.058 4.347 9.553 1.00 0.00 H new ATOM 604 N LEU B 177 72.256 5.815 3.044 1.00 0.00 N ATOM 605 CA LEU B 177 73.177 6.733 3.784 1.00 0.00 C ATOM 606 C LEU B 177 72.974 8.161 3.286 1.00 0.00 C ATOM 607 O LEU B 177 72.938 9.096 4.053 1.00 0.00 O ATOM 608 CB LEU B 177 74.647 6.288 3.646 1.00 0.00 C ATOM 609 CG LEU B 177 75.187 6.534 2.211 1.00 0.00 C ATOM 610 CD1 LEU B 177 75.980 7.847 2.142 1.00 0.00 C ATOM 611 CD2 LEU B 177 76.119 5.387 1.792 1.00 0.00 C ATOM 0 H LEU B 177 72.707 5.076 2.505 1.00 0.00 H new ATOM 0 HA LEU B 177 72.938 6.694 4.847 1.00 0.00 H new ATOM 0 HB2 LEU B 177 75.261 6.831 4.364 1.00 0.00 H new ATOM 0 HB3 LEU B 177 74.732 5.229 3.891 1.00 0.00 H new ATOM 0 HG LEU B 177 74.329 6.589 1.540 1.00 0.00 H new ATOM 0 HD11 LEU B 177 76.348 7.997 1.127 1.00 0.00 H new ATOM 0 HD12 LEU B 177 75.332 8.678 2.420 1.00 0.00 H new ATOM 0 HD13 LEU B 177 76.824 7.799 2.830 1.00 0.00 H new ATOM 0 HD21 LEU B 177 76.491 5.570 0.784 1.00 0.00 H new ATOM 0 HD22 LEU B 177 76.959 5.329 2.484 1.00 0.00 H new ATOM 0 HD23 LEU B 177 75.569 4.446 1.810 1.00 0.00 H new ATOM 623 N SER B 178 72.800 8.286 1.981 1.00 0.00 N ATOM 624 CA SER B 178 72.559 9.612 1.329 1.00 0.00 C ATOM 625 C SER B 178 71.289 10.262 1.890 1.00 0.00 C ATOM 626 O SER B 178 71.226 11.451 2.081 1.00 0.00 O ATOM 627 CB SER B 178 72.462 9.465 -0.191 1.00 0.00 C ATOM 628 OG SER B 178 71.155 9.029 -0.540 1.00 0.00 O ATOM 0 H SER B 178 72.817 7.500 1.331 1.00 0.00 H new ATOM 0 HA SER B 178 73.407 10.259 1.552 1.00 0.00 H new ATOM 0 HB2 SER B 178 72.681 10.417 -0.674 1.00 0.00 H new ATOM 0 HB3 SER B 178 73.203 8.749 -0.546 1.00 0.00 H new ATOM 0 HG SER B 178 71.113 8.051 -0.493 1.00 0.00 H new ATOM 634 N LEU B 179 70.267 9.468 2.128 1.00 0.00 N ATOM 635 CA LEU B 179 68.985 10.009 2.667 1.00 0.00 C ATOM 636 C LEU B 179 69.223 10.696 4.024 1.00 0.00 C ATOM 637 O LEU B 179 68.603 11.698 4.321 1.00 0.00 O ATOM 638 CB LEU B 179 67.948 8.867 2.816 1.00 0.00 C ATOM 639 CG LEU B 179 66.950 8.846 1.636 1.00 0.00 C ATOM 640 CD1 LEU B 179 66.131 10.155 1.586 1.00 0.00 C ATOM 641 CD2 LEU B 179 67.708 8.639 0.316 1.00 0.00 C ATOM 0 H LEU B 179 70.272 8.461 1.969 1.00 0.00 H new ATOM 0 HA LEU B 179 68.595 10.749 1.969 1.00 0.00 H new ATOM 0 HB2 LEU B 179 68.466 7.910 2.872 1.00 0.00 H new ATOM 0 HB3 LEU B 179 67.403 8.990 3.752 1.00 0.00 H new ATOM 0 HG LEU B 179 66.256 8.018 1.782 1.00 0.00 H new ATOM 0 HD11 LEU B 179 65.435 10.117 0.748 1.00 0.00 H new ATOM 0 HD12 LEU B 179 65.573 10.271 2.515 1.00 0.00 H new ATOM 0 HD13 LEU B 179 66.806 11.002 1.460 1.00 0.00 H new ATOM 0 HD21 LEU B 179 66.999 8.625 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU B 179 68.418 9.454 0.172 1.00 0.00 H new ATOM 0 HD23 LEU B 179 68.245 7.691 0.350 1.00 0.00 H new ATOM 653 N LEU B 180 70.082 10.114 4.859 1.00 0.00 N ATOM 654 CA LEU B 180 70.338 10.669 6.227 1.00 0.00 C ATOM 655 C LEU B 180 70.877 12.108 6.224 1.00 0.00 C ATOM 656 O LEU B 180 70.527 12.864 7.102 1.00 0.00 O ATOM 657 CB LEU B 180 71.314 9.780 7.013 1.00 0.00 C ATOM 658 CG LEU B 180 71.162 10.061 8.520 1.00 0.00 C ATOM 659 CD1 LEU B 180 69.801 9.545 9.046 1.00 0.00 C ATOM 660 CD2 LEU B 180 72.311 9.396 9.289 1.00 0.00 C ATOM 0 H LEU B 180 70.614 9.272 4.637 1.00 0.00 H new ATOM 0 HA LEU B 180 69.361 10.684 6.710 1.00 0.00 H new ATOM 0 HB2 LEU B 180 71.113 8.729 6.806 1.00 0.00 H new ATOM 0 HB3 LEU B 180 72.338 9.977 6.697 1.00 0.00 H new ATOM 0 HG LEU B 180 71.198 11.139 8.676 1.00 0.00 H new ATOM 0 HD11 LEU B 180 69.719 9.756 10.112 1.00 0.00 H new ATOM 0 HD12 LEU B 180 68.992 10.046 8.514 1.00 0.00 H new ATOM 0 HD13 LEU B 180 69.732 8.470 8.883 1.00 0.00 H new ATOM 0 HD21 LEU B 180 72.200 9.597 10.355 1.00 0.00 H new ATOM 0 HD22 LEU B 180 72.288 8.320 9.118 1.00 0.00 H new ATOM 0 HD23 LEU B 180 73.262 9.798 8.941 1.00 0.00 H new ATOM 672 N LEU B 181 71.770 12.472 5.305 1.00 0.00 N ATOM 673 CA LEU B 181 72.344 13.873 5.309 1.00 0.00 C ATOM 674 C LEU B 181 71.295 15.015 5.127 1.00 0.00 C ATOM 675 O LEU B 181 71.429 16.041 5.757 1.00 0.00 O ATOM 676 CB LEU B 181 73.493 14.036 4.259 1.00 0.00 C ATOM 677 CG LEU B 181 73.319 13.106 3.030 1.00 0.00 C ATOM 678 CD1 LEU B 181 72.424 13.774 1.974 1.00 0.00 C ATOM 679 CD2 LEU B 181 74.693 12.794 2.405 1.00 0.00 C ATOM 0 H LEU B 181 72.119 11.865 4.564 1.00 0.00 H new ATOM 0 HA LEU B 181 72.747 13.987 6.315 1.00 0.00 H new ATOM 0 HB2 LEU B 181 73.528 15.072 3.923 1.00 0.00 H new ATOM 0 HB3 LEU B 181 74.449 13.824 4.737 1.00 0.00 H new ATOM 0 HG LEU B 181 72.850 12.180 3.364 1.00 0.00 H new ATOM 0 HD11 LEU B 181 72.312 13.108 1.118 1.00 0.00 H new ATOM 0 HD12 LEU B 181 71.444 13.979 2.405 1.00 0.00 H new ATOM 0 HD13 LEU B 181 72.880 14.709 1.649 1.00 0.00 H new ATOM 0 HD21 LEU B 181 74.561 12.140 1.543 1.00 0.00 H new ATOM 0 HD22 LEU B 181 75.167 13.722 2.087 1.00 0.00 H new ATOM 0 HD23 LEU B 181 75.324 12.298 3.143 1.00 0.00 H new ATOM 691 N LEU B 182 70.293 14.857 4.239 1.00 0.00 N ATOM 692 CA LEU B 182 69.273 15.981 3.999 1.00 0.00 C ATOM 693 C LEU B 182 68.466 16.387 5.255 1.00 0.00 C ATOM 694 O LEU B 182 68.271 17.558 5.500 1.00 0.00 O ATOM 695 CB LEU B 182 68.315 15.585 2.818 1.00 0.00 C ATOM 696 CG LEU B 182 66.850 16.036 3.043 1.00 0.00 C ATOM 697 CD1 LEU B 182 66.750 17.557 3.314 1.00 0.00 C ATOM 698 CD2 LEU B 182 66.036 15.663 1.794 1.00 0.00 C ATOM 0 H LEU B 182 70.142 14.015 3.683 1.00 0.00 H new ATOM 0 HA LEU B 182 69.848 16.868 3.733 1.00 0.00 H new ATOM 0 HB2 LEU B 182 68.687 16.027 1.894 1.00 0.00 H new ATOM 0 HB3 LEU B 182 68.339 14.503 2.686 1.00 0.00 H new ATOM 0 HG LEU B 182 66.455 15.531 3.924 1.00 0.00 H new ATOM 0 HD11 LEU B 182 65.706 17.832 3.466 1.00 0.00 H new ATOM 0 HD12 LEU B 182 67.325 17.806 4.206 1.00 0.00 H new ATOM 0 HD13 LEU B 182 67.149 18.106 2.461 1.00 0.00 H new ATOM 0 HD21 LEU B 182 64.999 15.971 1.930 1.00 0.00 H new ATOM 0 HD22 LEU B 182 66.454 16.168 0.923 1.00 0.00 H new ATOM 0 HD23 LEU B 182 66.077 14.584 1.642 1.00 0.00 H new ATOM 710 N PRO B 183 68.041 15.463 6.052 1.00 0.00 N ATOM 711 CA PRO B 183 67.306 15.746 7.324 1.00 0.00 C ATOM 712 C PRO B 183 67.946 16.771 8.292 1.00 0.00 C ATOM 713 O PRO B 183 67.218 17.526 8.902 1.00 0.00 O ATOM 714 CB PRO B 183 67.217 14.373 8.003 1.00 0.00 C ATOM 715 CG PRO B 183 67.283 13.381 6.889 1.00 0.00 C ATOM 716 CD PRO B 183 68.123 14.031 5.784 1.00 0.00 C ATOM 0 HA PRO B 183 66.355 16.220 7.080 1.00 0.00 H new ATOM 0 HB2 PRO B 183 68.036 14.228 8.708 1.00 0.00 H new ATOM 0 HB3 PRO B 183 66.289 14.272 8.566 1.00 0.00 H new ATOM 0 HG2 PRO B 183 67.737 12.449 7.225 1.00 0.00 H new ATOM 0 HG3 PRO B 183 66.285 13.137 6.526 1.00 0.00 H new ATOM 0 HD2 PRO B 183 69.155 13.681 5.813 1.00 0.00 H new ATOM 0 HD3 PRO B 183 67.732 13.790 4.795 1.00 0.00 H new ATOM 724 N ILE B 184 69.281 16.786 8.486 1.00 0.00 N ATOM 725 CA ILE B 184 69.857 17.746 9.463 1.00 0.00 C ATOM 726 C ILE B 184 69.779 19.207 8.984 1.00 0.00 C ATOM 727 O ILE B 184 69.324 20.051 9.733 1.00 0.00 O ATOM 728 CB ILE B 184 71.282 17.323 9.892 1.00 0.00 C ATOM 729 CG1 ILE B 184 71.271 15.818 10.261 1.00 0.00 C ATOM 730 CG2 ILE B 184 71.713 18.161 11.125 1.00 0.00 C ATOM 731 CD1 ILE B 184 71.565 14.937 9.026 1.00 0.00 C ATOM 0 H ILE B 184 69.952 16.183 8.011 1.00 0.00 H new ATOM 0 HA ILE B 184 69.233 17.708 10.356 1.00 0.00 H new ATOM 0 HB ILE B 184 71.984 17.493 9.076 1.00 0.00 H new ATOM 0 HG12 ILE B 184 72.015 15.625 11.034 1.00 0.00 H new ATOM 0 HG13 ILE B 184 70.300 15.551 10.679 1.00 0.00 H new ATOM 0 HG21 ILE B 184 72.717 17.867 11.432 1.00 0.00 H new ATOM 0 HG22 ILE B 184 71.708 19.220 10.865 1.00 0.00 H new ATOM 0 HG23 ILE B 184 71.017 17.986 11.945 1.00 0.00 H new ATOM 0 HD11 ILE B 184 71.550 13.887 9.317 1.00 0.00 H new ATOM 0 HD12 ILE B 184 70.806 15.113 8.264 1.00 0.00 H new ATOM 0 HD13 ILE B 184 72.547 15.189 8.625 1.00 0.00 H new ATOM 743 N PRO B 185 70.181 19.542 7.774 1.00 0.00 N ATOM 744 CA PRO B 185 70.087 20.952 7.298 1.00 0.00 C ATOM 745 C PRO B 185 68.661 21.492 7.417 1.00 0.00 C ATOM 746 O PRO B 185 68.447 22.684 7.400 1.00 0.00 O ATOM 747 CB PRO B 185 70.568 20.925 5.830 1.00 0.00 C ATOM 748 CG PRO B 185 70.662 19.475 5.445 1.00 0.00 C ATOM 749 CD PRO B 185 70.754 18.658 6.744 1.00 0.00 C ATOM 0 HA PRO B 185 70.698 21.620 7.904 1.00 0.00 H new ATOM 0 HB2 PRO B 185 69.870 21.455 5.182 1.00 0.00 H new ATOM 0 HB3 PRO B 185 71.535 21.418 5.728 1.00 0.00 H new ATOM 0 HG2 PRO B 185 69.790 19.175 4.864 1.00 0.00 H new ATOM 0 HG3 PRO B 185 71.537 19.300 4.819 1.00 0.00 H new ATOM 0 HD2 PRO B 185 70.197 17.725 6.667 1.00 0.00 H new ATOM 0 HD3 PRO B 185 71.786 18.395 6.976 1.00 0.00 H new ATOM 1075 N GLY C 175 79.534 12.172 -5.502 1.00 0.00 N ATOM 1076 CA GLY C 175 80.250 13.174 -4.666 1.00 0.00 C ATOM 1077 C GLY C 175 79.303 14.226 -4.069 1.00 0.00 C ATOM 1078 O GLY C 175 79.501 14.653 -2.950 1.00 0.00 O ATOM 0 HA2 GLY C 175 80.774 12.662 -3.859 1.00 0.00 H new ATOM 0 HA3 GLY C 175 81.007 13.673 -5.271 1.00 0.00 H new ATOM 1082 N TRP C 176 78.311 14.686 -4.839 1.00 0.00 N ATOM 1083 CA TRP C 176 77.398 15.759 -4.336 1.00 0.00 C ATOM 1084 C TRP C 176 76.637 15.354 -3.062 1.00 0.00 C ATOM 1085 O TRP C 176 76.505 16.165 -2.166 1.00 0.00 O ATOM 1086 CB TRP C 176 76.401 16.121 -5.450 1.00 0.00 C ATOM 1087 CG TRP C 176 75.282 16.960 -4.909 1.00 0.00 C ATOM 1088 CD1 TRP C 176 75.398 18.241 -4.485 1.00 0.00 C ATOM 1089 CD2 TRP C 176 73.886 16.594 -4.726 1.00 0.00 C ATOM 1090 NE1 TRP C 176 74.159 18.682 -4.055 1.00 0.00 N ATOM 1091 CE2 TRP C 176 73.195 17.701 -4.183 1.00 0.00 C ATOM 1092 CE3 TRP C 176 73.159 15.416 -4.977 1.00 0.00 C ATOM 1093 CZ2 TRP C 176 71.828 17.644 -3.899 1.00 0.00 C ATOM 1094 CZ3 TRP C 176 71.785 15.354 -4.692 1.00 0.00 C ATOM 1095 CH2 TRP C 176 71.122 16.465 -4.154 1.00 0.00 C ATOM 0 H TRP C 176 78.110 14.356 -5.783 1.00 0.00 H new ATOM 0 HA TRP C 176 78.012 16.619 -4.068 1.00 0.00 H new ATOM 0 HB2 TRP C 176 76.916 16.662 -6.244 1.00 0.00 H new ATOM 0 HB3 TRP C 176 75.998 15.211 -5.894 1.00 0.00 H new ATOM 0 HD1 TRP C 176 76.308 18.823 -4.483 1.00 0.00 H new ATOM 0 HE1 TRP C 176 73.980 19.617 -3.688 1.00 0.00 H new ATOM 0 HE3 TRP C 176 73.661 14.554 -5.391 1.00 0.00 H new ATOM 0 HZ2 TRP C 176 71.321 18.504 -3.486 1.00 0.00 H new ATOM 0 HZ3 TRP C 176 71.236 14.445 -4.889 1.00 0.00 H new ATOM 0 HH2 TRP C 176 70.066 16.410 -3.936 1.00 0.00 H new ATOM 1106 N LEU C 177 76.156 14.114 -2.957 1.00 0.00 N ATOM 1107 CA LEU C 177 75.439 13.721 -1.704 1.00 0.00 C ATOM 1108 C LEU C 177 76.388 13.862 -0.522 1.00 0.00 C ATOM 1109 O LEU C 177 76.021 14.329 0.532 1.00 0.00 O ATOM 1110 CB LEU C 177 74.856 12.297 -1.802 1.00 0.00 C ATOM 1111 CG LEU C 177 75.961 11.211 -1.713 1.00 0.00 C ATOM 1112 CD1 LEU C 177 76.097 10.680 -0.279 1.00 0.00 C ATOM 1113 CD2 LEU C 177 75.603 10.031 -2.627 1.00 0.00 C ATOM 0 H LEU C 177 76.233 13.388 -3.670 1.00 0.00 H new ATOM 0 HA LEU C 177 74.589 14.388 -1.558 1.00 0.00 H new ATOM 0 HB2 LEU C 177 74.133 12.145 -1.001 1.00 0.00 H new ATOM 0 HB3 LEU C 177 74.317 12.190 -2.743 1.00 0.00 H new ATOM 0 HG LEU C 177 76.902 11.667 -2.022 1.00 0.00 H new ATOM 0 HD11 LEU C 177 76.878 9.920 -0.245 1.00 0.00 H new ATOM 0 HD12 LEU C 177 76.359 11.500 0.389 1.00 0.00 H new ATOM 0 HD13 LEU C 177 75.151 10.242 0.038 1.00 0.00 H new ATOM 0 HD21 LEU C 177 76.381 9.271 -2.562 1.00 0.00 H new ATOM 0 HD22 LEU C 177 74.651 9.603 -2.313 1.00 0.00 H new ATOM 0 HD23 LEU C 177 75.522 10.380 -3.657 1.00 0.00 H new ATOM 1125 N SER C 178 77.625 13.463 -0.761 1.00 0.00 N ATOM 1126 CA SER C 178 78.720 13.532 0.256 1.00 0.00 C ATOM 1127 C SER C 178 78.948 14.973 0.713 1.00 0.00 C ATOM 1128 O SER C 178 79.223 15.230 1.857 1.00 0.00 O ATOM 1129 CB SER C 178 80.015 12.954 -0.323 1.00 0.00 C ATOM 1130 OG SER C 178 80.734 13.983 -0.988 1.00 0.00 O ATOM 0 H SER C 178 77.923 13.079 -1.658 1.00 0.00 H new ATOM 0 HA SER C 178 78.421 12.940 1.121 1.00 0.00 H new ATOM 0 HB2 SER C 178 80.624 12.526 0.474 1.00 0.00 H new ATOM 0 HB3 SER C 178 79.787 12.146 -1.019 1.00 0.00 H new ATOM 0 HG SER C 178 80.481 14.000 -1.935 1.00 0.00 H new ATOM 1136 N LEU C 179 78.872 15.897 -0.216 1.00 0.00 N ATOM 1137 CA LEU C 179 79.109 17.339 0.087 1.00 0.00 C ATOM 1138 C LEU C 179 78.117 17.864 1.147 1.00 0.00 C ATOM 1139 O LEU C 179 78.475 18.682 1.971 1.00 0.00 O ATOM 1140 CB LEU C 179 78.986 18.155 -1.228 1.00 0.00 C ATOM 1141 CG LEU C 179 80.187 19.098 -1.423 1.00 0.00 C ATOM 1142 CD1 LEU C 179 80.177 19.635 -2.856 1.00 0.00 C ATOM 1143 CD2 LEU C 179 80.089 20.272 -0.446 1.00 0.00 C ATOM 0 H LEU C 179 78.650 15.704 -1.193 1.00 0.00 H new ATOM 0 HA LEU C 179 80.111 17.453 0.501 1.00 0.00 H new ATOM 0 HB2 LEU C 179 78.917 17.473 -2.075 1.00 0.00 H new ATOM 0 HB3 LEU C 179 78.064 18.737 -1.211 1.00 0.00 H new ATOM 0 HG LEU C 179 81.110 18.549 -1.237 1.00 0.00 H new ATOM 0 HD11 LEU C 179 81.026 20.304 -3.000 1.00 0.00 H new ATOM 0 HD12 LEU C 179 80.248 18.803 -3.557 1.00 0.00 H new ATOM 0 HD13 LEU C 179 79.251 20.181 -3.033 1.00 0.00 H new ATOM 0 HD21 LEU C 179 80.942 20.936 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU C 179 79.166 20.822 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU C 179 80.090 19.895 0.577 1.00 0.00 H new ATOM 1155 N LEU C 180 76.861 17.435 1.070 1.00 0.00 N ATOM 1156 CA LEU C 180 75.802 17.944 2.003 1.00 0.00 C ATOM 1157 C LEU C 180 76.095 17.684 3.493 1.00 0.00 C ATOM 1158 O LEU C 180 75.791 18.524 4.307 1.00 0.00 O ATOM 1159 CB LEU C 180 74.458 17.291 1.650 1.00 0.00 C ATOM 1160 CG LEU C 180 73.307 18.046 2.325 1.00 0.00 C ATOM 1161 CD1 LEU C 180 73.168 19.472 1.744 1.00 0.00 C ATOM 1162 CD2 LEU C 180 72.000 17.260 2.119 1.00 0.00 C ATOM 0 H LEU C 180 76.532 16.748 0.391 1.00 0.00 H new ATOM 0 HA LEU C 180 75.778 19.026 1.869 1.00 0.00 H new ATOM 0 HB2 LEU C 180 74.318 17.292 0.569 1.00 0.00 H new ATOM 0 HB3 LEU C 180 74.456 16.249 1.971 1.00 0.00 H new ATOM 0 HG LEU C 180 73.518 18.137 3.390 1.00 0.00 H new ATOM 0 HD11 LEU C 180 72.345 19.988 2.239 1.00 0.00 H new ATOM 0 HD12 LEU C 180 74.093 20.024 1.909 1.00 0.00 H new ATOM 0 HD13 LEU C 180 72.967 19.411 0.674 1.00 0.00 H new ATOM 0 HD21 LEU C 180 71.177 17.791 2.597 1.00 0.00 H new ATOM 0 HD22 LEU C 180 71.798 17.162 1.052 1.00 0.00 H new ATOM 0 HD23 LEU C 180 72.098 16.269 2.562 1.00 0.00 H new ATOM 1174 N LEU C 181 76.631 16.520 3.853 1.00 0.00 N ATOM 1175 CA LEU C 181 76.930 16.207 5.305 1.00 0.00 C ATOM 1176 C LEU C 181 77.947 17.166 5.991 1.00 0.00 C ATOM 1177 O LEU C 181 77.810 17.455 7.162 1.00 0.00 O ATOM 1178 CB LEU C 181 77.382 14.727 5.511 1.00 0.00 C ATOM 1179 CG LEU C 181 78.135 14.159 4.280 1.00 0.00 C ATOM 1180 CD1 LEU C 181 79.621 14.547 4.321 1.00 0.00 C ATOM 1181 CD2 LEU C 181 78.014 12.627 4.264 1.00 0.00 C ATOM 0 H LEU C 181 76.873 15.775 3.200 1.00 0.00 H new ATOM 0 HA LEU C 181 75.973 16.368 5.801 1.00 0.00 H new ATOM 0 HB2 LEU C 181 78.027 14.666 6.387 1.00 0.00 H new ATOM 0 HB3 LEU C 181 76.508 14.109 5.715 1.00 0.00 H new ATOM 0 HG LEU C 181 77.687 14.579 3.380 1.00 0.00 H new ATOM 0 HD11 LEU C 181 80.128 14.137 3.448 1.00 0.00 H new ATOM 0 HD12 LEU C 181 79.714 15.633 4.318 1.00 0.00 H new ATOM 0 HD13 LEU C 181 80.077 14.146 5.226 1.00 0.00 H new ATOM 0 HD21 LEU C 181 78.544 12.229 3.398 1.00 0.00 H new ATOM 0 HD22 LEU C 181 78.450 12.218 5.176 1.00 0.00 H new ATOM 0 HD23 LEU C 181 76.962 12.346 4.207 1.00 0.00 H new ATOM 1193 N LEU C 182 79.009 17.560 5.275 1.00 0.00 N ATOM 1194 CA LEU C 182 80.119 18.396 5.882 1.00 0.00 C ATOM 1195 C LEU C 182 79.687 19.767 6.447 1.00 0.00 C ATOM 1196 O LEU C 182 80.168 20.145 7.492 1.00 0.00 O ATOM 1197 CB LEU C 182 81.250 18.546 4.832 1.00 0.00 C ATOM 1198 CG LEU C 182 82.462 19.348 5.366 1.00 0.00 C ATOM 1199 CD1 LEU C 182 82.148 20.860 5.472 1.00 0.00 C ATOM 1200 CD2 LEU C 182 82.910 18.792 6.729 1.00 0.00 C ATOM 0 H LEU C 182 79.146 17.332 4.290 1.00 0.00 H new ATOM 0 HA LEU C 182 80.469 17.859 6.764 1.00 0.00 H new ATOM 0 HB2 LEU C 182 81.584 17.556 4.520 1.00 0.00 H new ATOM 0 HB3 LEU C 182 80.854 19.042 3.946 1.00 0.00 H new ATOM 0 HG LEU C 182 83.277 19.234 4.651 1.00 0.00 H new ATOM 0 HD11 LEU C 182 83.023 21.388 5.850 1.00 0.00 H new ATOM 0 HD12 LEU C 182 81.888 21.248 4.487 1.00 0.00 H new ATOM 0 HD13 LEU C 182 81.311 21.011 6.153 1.00 0.00 H new ATOM 0 HD21 LEU C 182 83.763 19.365 7.093 1.00 0.00 H new ATOM 0 HD22 LEU C 182 82.089 18.871 7.442 1.00 0.00 H new ATOM 0 HD23 LEU C 182 83.196 17.746 6.619 1.00 0.00 H new ATOM 1212 N PRO C 183 78.814 20.508 5.818 1.00 0.00 N ATOM 1213 CA PRO C 183 78.359 21.827 6.360 1.00 0.00 C ATOM 1214 C PRO C 183 77.306 21.808 7.513 1.00 0.00 C ATOM 1215 O PRO C 183 77.143 22.834 8.141 1.00 0.00 O ATOM 1216 CB PRO C 183 77.787 22.529 5.117 1.00 0.00 C ATOM 1217 CG PRO C 183 77.287 21.419 4.248 1.00 0.00 C ATOM 1218 CD PRO C 183 78.214 20.226 4.513 1.00 0.00 C ATOM 0 HA PRO C 183 79.199 22.321 6.849 1.00 0.00 H new ATOM 0 HB2 PRO C 183 76.983 23.215 5.385 1.00 0.00 H new ATOM 0 HB3 PRO C 183 78.551 23.117 4.608 1.00 0.00 H new ATOM 0 HG2 PRO C 183 76.253 21.171 4.488 1.00 0.00 H new ATOM 0 HG3 PRO C 183 77.310 21.706 3.197 1.00 0.00 H new ATOM 0 HD2 PRO C 183 77.659 19.288 4.526 1.00 0.00 H new ATOM 0 HD3 PRO C 183 78.975 20.135 3.738 1.00 0.00 H new ATOM 1226 N ILE C 184 76.570 20.703 7.820 1.00 0.00 N ATOM 1227 CA ILE C 184 75.578 20.819 8.939 1.00 0.00 C ATOM 1228 C ILE C 184 76.265 20.937 10.309 1.00 0.00 C ATOM 1229 O ILE C 184 75.802 21.662 11.158 1.00 0.00 O ATOM 1230 CB ILE C 184 74.483 19.703 8.946 1.00 0.00 C ATOM 1231 CG1 ILE C 184 74.549 18.812 7.683 1.00 0.00 C ATOM 1232 CG2 ILE C 184 73.109 20.384 9.061 1.00 0.00 C ATOM 1233 CD1 ILE C 184 74.170 19.579 6.412 1.00 0.00 C ATOM 0 H ILE C 184 76.628 19.795 7.358 1.00 0.00 H new ATOM 0 HA ILE C 184 75.046 21.750 8.744 1.00 0.00 H new ATOM 0 HB ILE C 184 74.654 19.042 9.795 1.00 0.00 H new ATOM 0 HG12 ILE C 184 75.557 18.411 7.576 1.00 0.00 H new ATOM 0 HG13 ILE C 184 73.879 17.961 7.805 1.00 0.00 H new ATOM 0 HG21 ILE C 184 72.326 19.625 9.068 1.00 0.00 H new ATOM 0 HG22 ILE C 184 73.065 20.960 9.985 1.00 0.00 H new ATOM 0 HG23 ILE C 184 72.961 21.050 8.211 1.00 0.00 H new ATOM 0 HD11 ILE C 184 74.231 18.912 5.552 1.00 0.00 H new ATOM 0 HD12 ILE C 184 73.152 19.958 6.505 1.00 0.00 H new ATOM 0 HD13 ILE C 184 74.857 20.414 6.273 1.00 0.00 H new