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 -54:sc= 1.14 USER MOD Single : B 178 SER OG : rot -65:sc= 1.1 USER MOD Single : C 178 SER OG : rot -88:sc= 0.886 USER MOD ----------------------------------------------------------------- ATOM 52 N LEU A 174 85.773 6.553 1.143 1.00 0.00 N ATOM 53 CA LEU A 174 84.307 6.656 0.901 1.00 0.00 C ATOM 54 C LEU A 174 83.534 6.477 2.198 1.00 0.00 C ATOM 55 O LEU A 174 82.556 7.142 2.430 1.00 0.00 O ATOM 56 CB LEU A 174 83.866 5.592 -0.112 1.00 0.00 C ATOM 57 CG LEU A 174 84.299 6.006 -1.522 1.00 0.00 C ATOM 58 CD1 LEU A 174 85.830 6.034 -1.615 1.00 0.00 C ATOM 59 CD2 LEU A 174 83.737 5.000 -2.534 1.00 0.00 C ATOM 0 HA LEU A 174 84.095 7.648 0.501 1.00 0.00 H new ATOM 0 HB2 LEU A 174 84.305 4.628 0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 174 82.784 5.469 -0.076 1.00 0.00 H new ATOM 0 HG LEU A 174 83.916 7.003 -1.741 1.00 0.00 H new ATOM 0 HD11 LEU A 174 86.128 6.329 -2.621 1.00 0.00 H new ATOM 0 HD12 LEU A 174 86.225 6.750 -0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 174 86.226 5.042 -1.396 1.00 0.00 H new ATOM 0 HD21 LEU A 174 84.041 5.288 -3.540 1.00 0.00 H new ATOM 0 HD22 LEU A 174 84.121 4.005 -2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 174 82.649 4.991 -2.472 1.00 0.00 H new ATOM 71 N GLY A 175 83.980 5.554 3.029 1.00 0.00 N ATOM 72 CA GLY A 175 83.290 5.291 4.321 1.00 0.00 C ATOM 73 C GLY A 175 83.256 6.534 5.227 1.00 0.00 C ATOM 74 O GLY A 175 82.279 6.761 5.912 1.00 0.00 O ATOM 0 H GLY A 175 84.800 4.972 2.856 1.00 0.00 H new ATOM 0 HA2 GLY A 175 82.271 4.959 4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 175 83.796 4.478 4.842 1.00 0.00 H new ATOM 78 N TRP A 176 84.354 7.302 5.268 1.00 0.00 N ATOM 79 CA TRP A 176 84.425 8.491 6.176 1.00 0.00 C ATOM 80 C TRP A 176 83.348 9.553 5.900 1.00 0.00 C ATOM 81 O TRP A 176 82.802 10.108 6.832 1.00 0.00 O ATOM 82 CB TRP A 176 85.819 9.133 6.053 1.00 0.00 C ATOM 83 CG TRP A 176 86.170 9.860 7.316 1.00 0.00 C ATOM 84 CD1 TRP A 176 85.966 11.178 7.540 1.00 0.00 C ATOM 85 CD2 TRP A 176 86.783 9.329 8.526 1.00 0.00 C ATOM 86 NE1 TRP A 176 86.417 11.490 8.811 1.00 0.00 N ATOM 87 CE2 TRP A 176 86.928 10.382 9.458 1.00 0.00 C ATOM 88 CE3 TRP A 176 87.222 8.046 8.899 1.00 0.00 C ATOM 89 CZ2 TRP A 176 87.490 10.171 10.718 1.00 0.00 C ATOM 90 CZ3 TRP A 176 87.789 7.830 10.166 1.00 0.00 C ATOM 91 CH2 TRP A 176 87.922 8.890 11.073 1.00 0.00 C ATOM 0 H TRP A 176 85.190 7.141 4.707 1.00 0.00 H new ATOM 0 HA TRP A 176 84.241 8.125 7.186 1.00 0.00 H new ATOM 0 HB2 TRP A 176 86.564 8.364 5.849 1.00 0.00 H new ATOM 0 HB3 TRP A 176 85.835 9.825 5.211 1.00 0.00 H new ATOM 0 HD1 TRP A 176 85.524 11.873 6.842 1.00 0.00 H new ATOM 0 HE1 TRP A 176 86.377 12.424 9.220 1.00 0.00 H new ATOM 0 HE3 TRP A 176 87.123 7.222 8.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 176 87.590 10.991 11.413 1.00 0.00 H new ATOM 0 HZ3 TRP A 176 88.124 6.841 10.443 1.00 0.00 H new ATOM 0 HH2 TRP A 176 88.358 8.717 12.046 1.00 0.00 H new ATOM 102 N LEU A 177 83.042 9.842 4.633 1.00 0.00 N ATOM 103 CA LEU A 177 81.995 10.875 4.345 1.00 0.00 C ATOM 104 C LEU A 177 80.663 10.445 4.953 1.00 0.00 C ATOM 105 O LEU A 177 79.948 11.237 5.525 1.00 0.00 O ATOM 106 CB LEU A 177 81.870 11.127 2.829 1.00 0.00 C ATOM 107 CG LEU A 177 81.240 9.909 2.101 1.00 0.00 C ATOM 108 CD1 LEU A 177 79.736 10.117 1.885 1.00 0.00 C ATOM 109 CD2 LEU A 177 81.900 9.715 0.728 1.00 0.00 C ATOM 0 H LEU A 177 83.469 9.410 3.814 1.00 0.00 H new ATOM 0 HA LEU A 177 82.293 11.818 4.803 1.00 0.00 H new ATOM 0 HB2 LEU A 177 81.259 12.012 2.655 1.00 0.00 H new ATOM 0 HB3 LEU A 177 82.855 11.333 2.411 1.00 0.00 H new ATOM 0 HG LEU A 177 81.401 9.031 2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 177 79.319 9.250 1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 177 79.244 10.241 2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 177 79.575 11.008 1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 177 81.451 8.858 0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 177 81.751 10.609 0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 177 82.968 9.540 0.859 1.00 0.00 H new ATOM 121 N SER A 178 80.386 9.156 4.838 1.00 0.00 N ATOM 122 CA SER A 178 79.137 8.540 5.393 1.00 0.00 C ATOM 123 C SER A 178 79.061 8.742 6.905 1.00 0.00 C ATOM 124 O SER A 178 78.012 8.970 7.456 1.00 0.00 O ATOM 125 CB SER A 178 79.057 7.051 5.036 1.00 0.00 C ATOM 126 OG SER A 178 79.753 6.293 6.015 1.00 0.00 O ATOM 0 H SER A 178 80.999 8.491 4.366 1.00 0.00 H new ATOM 0 HA SER A 178 78.281 9.041 4.940 1.00 0.00 H new ATOM 0 HB2 SER A 178 78.016 6.733 4.987 1.00 0.00 H new ATOM 0 HB3 SER A 178 79.490 6.878 4.051 1.00 0.00 H new ATOM 0 HG SER A 178 80.664 6.642 6.112 1.00 0.00 H new ATOM 132 N LEU A 179 80.188 8.626 7.565 1.00 0.00 N ATOM 133 CA LEU A 179 80.246 8.784 9.044 1.00 0.00 C ATOM 134 C LEU A 179 79.747 10.177 9.458 1.00 0.00 C ATOM 135 O LEU A 179 79.101 10.321 10.476 1.00 0.00 O ATOM 136 CB LEU A 179 81.690 8.572 9.520 1.00 0.00 C ATOM 137 CG LEU A 179 81.770 8.649 11.063 1.00 0.00 C ATOM 138 CD1 LEU A 179 83.024 7.898 11.539 1.00 0.00 C ATOM 139 CD2 LEU A 179 81.820 10.123 11.558 1.00 0.00 C ATOM 0 H LEU A 179 81.087 8.424 7.127 1.00 0.00 H new ATOM 0 HA LEU A 179 79.598 8.041 9.509 1.00 0.00 H new ATOM 0 HB2 LEU A 179 82.052 7.602 9.179 1.00 0.00 H new ATOM 0 HB3 LEU A 179 82.339 9.328 9.078 1.00 0.00 H new ATOM 0 HG LEU A 179 80.874 8.188 11.479 1.00 0.00 H new ATOM 0 HD11 LEU A 179 83.087 7.948 12.626 1.00 0.00 H new ATOM 0 HD12 LEU A 179 82.964 6.855 11.226 1.00 0.00 H new ATOM 0 HD13 LEU A 179 83.911 8.357 11.102 1.00 0.00 H new ATOM 0 HD21 LEU A 179 81.876 10.140 12.646 1.00 0.00 H new ATOM 0 HD22 LEU A 179 82.698 10.617 11.142 1.00 0.00 H new ATOM 0 HD23 LEU A 179 80.921 10.647 11.233 1.00 0.00 H new ATOM 151 N LEU A 180 80.097 11.197 8.682 1.00 0.00 N ATOM 152 CA LEU A 180 79.723 12.610 9.021 1.00 0.00 C ATOM 153 C LEU A 180 78.201 12.851 9.131 1.00 0.00 C ATOM 154 O LEU A 180 77.783 13.602 9.984 1.00 0.00 O ATOM 155 CB LEU A 180 80.287 13.547 7.945 1.00 0.00 C ATOM 156 CG LEU A 180 80.350 14.985 8.466 1.00 0.00 C ATOM 157 CD1 LEU A 180 81.382 15.114 9.610 1.00 0.00 C ATOM 158 CD2 LEU A 180 80.727 15.916 7.308 1.00 0.00 C ATOM 0 H LEU A 180 80.633 11.098 7.820 1.00 0.00 H new ATOM 0 HA LEU A 180 80.146 12.811 10.005 1.00 0.00 H new ATOM 0 HB2 LEU A 180 81.283 13.216 7.652 1.00 0.00 H new ATOM 0 HB3 LEU A 180 79.662 13.504 7.053 1.00 0.00 H new ATOM 0 HG LEU A 180 79.374 15.263 8.864 1.00 0.00 H new ATOM 0 HD11 LEU A 180 81.407 16.145 9.962 1.00 0.00 H new ATOM 0 HD12 LEU A 180 81.098 14.456 10.432 1.00 0.00 H new ATOM 0 HD13 LEU A 180 82.369 14.831 9.243 1.00 0.00 H new ATOM 0 HD21 LEU A 180 80.775 16.944 7.668 1.00 0.00 H new ATOM 0 HD22 LEU A 180 81.699 15.626 6.909 1.00 0.00 H new ATOM 0 HD23 LEU A 180 79.976 15.842 6.522 1.00 0.00 H new ATOM 170 N LEU A 181 77.383 12.263 8.263 1.00 0.00 N ATOM 171 CA LEU A 181 75.889 12.489 8.344 1.00 0.00 C ATOM 172 C LEU A 181 75.248 12.026 9.685 1.00 0.00 C ATOM 173 O LEU A 181 74.342 12.666 10.183 1.00 0.00 O ATOM 174 CB LEU A 181 75.127 11.855 7.138 1.00 0.00 C ATOM 175 CG LEU A 181 75.844 10.606 6.560 1.00 0.00 C ATOM 176 CD1 LEU A 181 75.449 9.345 7.345 1.00 0.00 C ATOM 177 CD2 LEU A 181 75.454 10.424 5.082 1.00 0.00 C ATOM 0 H LEU A 181 77.685 11.643 7.511 1.00 0.00 H new ATOM 0 HA LEU A 181 75.778 13.572 8.299 1.00 0.00 H new ATOM 0 HB2 LEU A 181 74.122 11.576 7.456 1.00 0.00 H new ATOM 0 HB3 LEU A 181 75.017 12.601 6.351 1.00 0.00 H new ATOM 0 HG LEU A 181 76.921 10.754 6.645 1.00 0.00 H new ATOM 0 HD11 LEU A 181 75.962 8.480 6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 181 75.733 9.463 8.391 1.00 0.00 H new ATOM 0 HD13 LEU A 181 74.371 9.197 7.277 1.00 0.00 H new ATOM 0 HD21 LEU A 181 75.959 9.546 4.678 1.00 0.00 H new ATOM 0 HD22 LEU A 181 74.375 10.290 5.004 1.00 0.00 H new ATOM 0 HD23 LEU A 181 75.752 11.306 4.516 1.00 0.00 H new ATOM 189 N LEU A 182 75.687 10.878 10.214 1.00 0.00 N ATOM 190 CA LEU A 182 75.075 10.287 11.485 1.00 0.00 C ATOM 191 C LEU A 182 75.163 11.187 12.750 1.00 0.00 C ATOM 192 O LEU A 182 74.206 11.259 13.491 1.00 0.00 O ATOM 193 CB LEU A 182 75.743 8.892 11.757 1.00 0.00 C ATOM 194 CG LEU A 182 75.900 8.578 13.264 1.00 0.00 C ATOM 195 CD1 LEU A 182 74.549 8.684 14.009 1.00 0.00 C ATOM 196 CD2 LEU A 182 76.478 7.160 13.410 1.00 0.00 C ATOM 0 H LEU A 182 76.446 10.324 9.817 1.00 0.00 H new ATOM 0 HA LEU A 182 74.006 10.194 11.296 1.00 0.00 H new ATOM 0 HB2 LEU A 182 75.143 8.111 11.290 1.00 0.00 H new ATOM 0 HB3 LEU A 182 76.724 8.867 11.283 1.00 0.00 H new ATOM 0 HG LEU A 182 76.574 9.309 13.711 1.00 0.00 H new ATOM 0 HD11 LEU A 182 74.697 8.457 15.065 1.00 0.00 H new ATOM 0 HD12 LEU A 182 74.156 9.695 13.907 1.00 0.00 H new ATOM 0 HD13 LEU A 182 73.841 7.974 13.581 1.00 0.00 H new ATOM 0 HD21 LEU A 182 76.595 6.922 14.467 1.00 0.00 H new ATOM 0 HD22 LEU A 182 75.800 6.442 12.949 1.00 0.00 H new ATOM 0 HD23 LEU A 182 77.449 7.110 12.917 1.00 0.00 H new ATOM 208 N PRO A 183 76.245 11.867 13.010 1.00 0.00 N ATOM 209 CA PRO A 183 76.364 12.770 14.206 1.00 0.00 C ATOM 210 C PRO A 183 75.497 14.061 14.222 1.00 0.00 C ATOM 211 O PRO A 183 75.232 14.554 15.300 1.00 0.00 O ATOM 212 CB PRO A 183 77.865 13.119 14.236 1.00 0.00 C ATOM 213 CG PRO A 183 78.309 12.969 12.823 1.00 0.00 C ATOM 214 CD PRO A 183 77.502 11.797 12.272 1.00 0.00 C ATOM 0 HA PRO A 183 75.978 12.249 15.082 1.00 0.00 H new ATOM 0 HB2 PRO A 183 78.030 14.134 14.599 1.00 0.00 H new ATOM 0 HB3 PRO A 183 78.415 12.451 14.898 1.00 0.00 H new ATOM 0 HG2 PRO A 183 78.122 13.879 12.253 1.00 0.00 H new ATOM 0 HG3 PRO A 183 79.379 12.772 12.765 1.00 0.00 H new ATOM 0 HD2 PRO A 183 77.342 11.891 11.198 1.00 0.00 H new ATOM 0 HD3 PRO A 183 78.011 10.847 12.437 1.00 0.00 H new ATOM 222 N ILE A 184 75.063 14.650 13.083 1.00 0.00 N ATOM 223 CA ILE A 184 74.258 15.908 13.213 1.00 0.00 C ATOM 224 C ILE A 184 72.865 15.638 13.799 1.00 0.00 C ATOM 225 O ILE A 184 72.432 16.362 14.670 1.00 0.00 O ATOM 226 CB ILE A 184 74.175 16.743 11.901 1.00 0.00 C ATOM 227 CG1 ILE A 184 75.605 16.993 11.357 1.00 0.00 C ATOM 228 CG2 ILE A 184 73.481 18.108 12.224 1.00 0.00 C ATOM 229 CD1 ILE A 184 76.013 15.892 10.367 1.00 0.00 C ATOM 0 H ILE A 184 75.232 14.317 12.134 1.00 0.00 H new ATOM 0 HA ILE A 184 74.807 16.528 13.922 1.00 0.00 H new ATOM 0 HB ILE A 184 73.600 16.206 11.147 1.00 0.00 H new ATOM 0 HG12 ILE A 184 75.647 17.965 10.865 1.00 0.00 H new ATOM 0 HG13 ILE A 184 76.313 17.024 12.185 1.00 0.00 H new ATOM 0 HG21 ILE A 184 73.414 18.706 11.315 1.00 0.00 H new ATOM 0 HG22 ILE A 184 72.479 17.924 12.612 1.00 0.00 H new ATOM 0 HG23 ILE A 184 74.066 18.646 12.970 1.00 0.00 H new ATOM 0 HD11 ILE A 184 77.020 16.089 9.999 1.00 0.00 H new ATOM 0 HD12 ILE A 184 75.993 14.925 10.870 1.00 0.00 H new ATOM 0 HD13 ILE A 184 75.316 15.880 9.529 1.00 0.00 H new ATOM 573 N GLY B 175 73.082 3.745 -1.103 1.00 0.00 N ATOM 574 CA GLY B 175 72.026 4.784 -1.244 1.00 0.00 C ATOM 575 C GLY B 175 71.494 5.249 0.120 1.00 0.00 C ATOM 576 O GLY B 175 71.202 6.415 0.295 1.00 0.00 O ATOM 0 HA2 GLY B 175 72.428 5.639 -1.787 1.00 0.00 H new ATOM 0 HA3 GLY B 175 71.203 4.387 -1.838 1.00 0.00 H new ATOM 580 N TRP B 176 71.320 4.317 1.066 1.00 0.00 N ATOM 581 CA TRP B 176 70.750 4.680 2.400 1.00 0.00 C ATOM 582 C TRP B 176 71.588 5.717 3.156 1.00 0.00 C ATOM 583 O TRP B 176 71.031 6.608 3.767 1.00 0.00 O ATOM 584 CB TRP B 176 70.624 3.418 3.260 1.00 0.00 C ATOM 585 CG TRP B 176 69.704 2.421 2.610 1.00 0.00 C ATOM 586 CD1 TRP B 176 69.053 2.583 1.428 1.00 0.00 C ATOM 587 CD2 TRP B 176 69.323 1.100 3.100 1.00 0.00 C ATOM 588 NE1 TRP B 176 68.303 1.451 1.171 1.00 0.00 N ATOM 589 CE2 TRP B 176 68.436 0.510 2.170 1.00 0.00 C ATOM 590 CE3 TRP B 176 69.660 0.367 4.252 1.00 0.00 C ATOM 591 CZ2 TRP B 176 67.903 -0.763 2.375 1.00 0.00 C ATOM 592 CZ3 TRP B 176 69.125 -0.915 4.461 1.00 0.00 C ATOM 593 CH2 TRP B 176 68.247 -1.479 3.524 1.00 0.00 C ATOM 0 H TRP B 176 71.553 3.330 0.953 1.00 0.00 H new ATOM 0 HA TRP B 176 69.775 5.129 2.213 1.00 0.00 H new ATOM 0 HB2 TRP B 176 71.608 2.971 3.406 1.00 0.00 H new ATOM 0 HB3 TRP B 176 70.244 3.681 4.247 1.00 0.00 H new ATOM 0 HD1 TRP B 176 69.112 3.455 0.793 1.00 0.00 H new ATOM 0 HE1 TRP B 176 67.721 1.327 0.342 1.00 0.00 H new ATOM 0 HE3 TRP B 176 70.334 0.792 4.981 1.00 0.00 H new ATOM 0 HZ2 TRP B 176 67.228 -1.192 1.649 1.00 0.00 H new ATOM 0 HZ3 TRP B 176 69.391 -1.470 5.349 1.00 0.00 H new ATOM 0 HH2 TRP B 176 67.838 -2.465 3.690 1.00 0.00 H new ATOM 604 N LEU B 177 72.916 5.618 3.118 1.00 0.00 N ATOM 605 CA LEU B 177 73.748 6.628 3.844 1.00 0.00 C ATOM 606 C LEU B 177 73.470 8.020 3.292 1.00 0.00 C ATOM 607 O LEU B 177 73.371 8.978 4.023 1.00 0.00 O ATOM 608 CB LEU B 177 75.247 6.282 3.764 1.00 0.00 C ATOM 609 CG LEU B 177 75.852 6.637 2.377 1.00 0.00 C ATOM 610 CD1 LEU B 177 76.441 8.061 2.362 1.00 0.00 C ATOM 611 CD2 LEU B 177 76.973 5.643 2.040 1.00 0.00 C ATOM 0 H LEU B 177 73.437 4.894 2.624 1.00 0.00 H new ATOM 0 HA LEU B 177 73.473 6.611 4.899 1.00 0.00 H new ATOM 0 HB2 LEU B 177 75.786 6.821 4.543 1.00 0.00 H new ATOM 0 HB3 LEU B 177 75.385 5.218 3.958 1.00 0.00 H new ATOM 0 HG LEU B 177 75.050 6.583 1.641 1.00 0.00 H new ATOM 0 HD11 LEU B 177 76.855 8.273 1.376 1.00 0.00 H new ATOM 0 HD12 LEU B 177 75.656 8.782 2.589 1.00 0.00 H new ATOM 0 HD13 LEU B 177 77.230 8.136 3.110 1.00 0.00 H new ATOM 0 HD21 LEU B 177 77.398 5.890 1.067 1.00 0.00 H new ATOM 0 HD22 LEU B 177 77.751 5.700 2.801 1.00 0.00 H new ATOM 0 HD23 LEU B 177 76.566 4.632 2.012 1.00 0.00 H new ATOM 623 N SER B 178 73.331 8.084 1.981 1.00 0.00 N ATOM 624 CA SER B 178 73.050 9.365 1.257 1.00 0.00 C ATOM 625 C SER B 178 71.739 9.992 1.737 1.00 0.00 C ATOM 626 O SER B 178 71.633 11.184 1.850 1.00 0.00 O ATOM 627 CB SER B 178 73.010 9.127 -0.257 1.00 0.00 C ATOM 628 OG SER B 178 71.690 8.772 -0.644 1.00 0.00 O ATOM 0 H SER B 178 73.404 7.271 1.369 1.00 0.00 H new ATOM 0 HA SER B 178 73.858 10.063 1.478 1.00 0.00 H new ATOM 0 HB2 SER B 178 73.327 10.026 -0.786 1.00 0.00 H new ATOM 0 HB3 SER B 178 73.707 8.334 -0.530 1.00 0.00 H new ATOM 0 HG SER B 178 71.449 7.915 -0.235 1.00 0.00 H new ATOM 634 N LEU B 179 70.740 9.169 1.984 1.00 0.00 N ATOM 635 CA LEU B 179 69.404 9.665 2.441 1.00 0.00 C ATOM 636 C LEU B 179 69.497 10.444 3.767 1.00 0.00 C ATOM 637 O LEU B 179 68.769 11.394 3.968 1.00 0.00 O ATOM 638 CB LEU B 179 68.429 8.489 2.608 1.00 0.00 C ATOM 639 CG LEU B 179 67.926 8.005 1.235 1.00 0.00 C ATOM 640 CD1 LEU B 179 67.101 6.726 1.430 1.00 0.00 C ATOM 641 CD2 LEU B 179 67.050 9.088 0.559 1.00 0.00 C ATOM 0 H LEU B 179 70.801 8.156 1.885 1.00 0.00 H new ATOM 0 HA LEU B 179 69.036 10.347 1.675 1.00 0.00 H new ATOM 0 HB2 LEU B 179 68.924 7.670 3.130 1.00 0.00 H new ATOM 0 HB3 LEU B 179 67.584 8.795 3.224 1.00 0.00 H new ATOM 0 HG LEU B 179 68.784 7.806 0.593 1.00 0.00 H new ATOM 0 HD11 LEU B 179 66.740 6.375 0.463 1.00 0.00 H new ATOM 0 HD12 LEU B 179 67.725 5.957 1.886 1.00 0.00 H new ATOM 0 HD13 LEU B 179 66.252 6.936 2.080 1.00 0.00 H new ATOM 0 HD21 LEU B 179 66.706 8.725 -0.409 1.00 0.00 H new ATOM 0 HD22 LEU B 179 66.190 9.307 1.191 1.00 0.00 H new ATOM 0 HD23 LEU B 179 67.637 9.995 0.418 1.00 0.00 H new ATOM 653 N LEU B 180 70.336 9.982 4.690 1.00 0.00 N ATOM 654 CA LEU B 180 70.437 10.610 6.053 1.00 0.00 C ATOM 655 C LEU B 180 70.838 12.096 6.037 1.00 0.00 C ATOM 656 O LEU B 180 70.370 12.838 6.855 1.00 0.00 O ATOM 657 CB LEU B 180 71.462 9.841 6.902 1.00 0.00 C ATOM 658 CG LEU B 180 71.251 10.151 8.392 1.00 0.00 C ATOM 659 CD1 LEU B 180 69.905 9.574 8.891 1.00 0.00 C ATOM 660 CD2 LEU B 180 72.410 9.555 9.202 1.00 0.00 C ATOM 0 H LEU B 180 70.958 9.187 4.546 1.00 0.00 H new ATOM 0 HA LEU B 180 69.435 10.555 6.477 1.00 0.00 H new ATOM 0 HB2 LEU B 180 71.360 8.770 6.727 1.00 0.00 H new ATOM 0 HB3 LEU B 180 72.473 10.118 6.604 1.00 0.00 H new ATOM 0 HG LEU B 180 71.226 11.232 8.526 1.00 0.00 H new ATOM 0 HD11 LEU B 180 69.779 9.807 9.948 1.00 0.00 H new ATOM 0 HD12 LEU B 180 69.087 10.016 8.322 1.00 0.00 H new ATOM 0 HD13 LEU B 180 69.900 8.493 8.754 1.00 0.00 H new ATOM 0 HD21 LEU B 180 72.264 9.773 10.260 1.00 0.00 H new ATOM 0 HD22 LEU B 180 72.440 8.475 9.054 1.00 0.00 H new ATOM 0 HD23 LEU B 180 73.351 9.993 8.868 1.00 0.00 H new ATOM 672 N LEU B 181 71.753 12.503 5.176 1.00 0.00 N ATOM 673 CA LEU B 181 72.214 13.941 5.133 1.00 0.00 C ATOM 674 C LEU B 181 71.100 14.983 4.814 1.00 0.00 C ATOM 675 O LEU B 181 71.141 16.087 5.317 1.00 0.00 O ATOM 676 CB LEU B 181 73.412 14.138 4.156 1.00 0.00 C ATOM 677 CG LEU B 181 73.344 13.179 2.941 1.00 0.00 C ATOM 678 CD1 LEU B 181 72.329 13.681 1.889 1.00 0.00 C ATOM 679 CD2 LEU B 181 74.739 13.065 2.299 1.00 0.00 C ATOM 0 H LEU B 181 72.205 11.894 4.494 1.00 0.00 H new ATOM 0 HA LEU B 181 72.534 14.141 6.156 1.00 0.00 H new ATOM 0 HB2 LEU B 181 73.424 15.169 3.802 1.00 0.00 H new ATOM 0 HB3 LEU B 181 74.346 13.975 4.693 1.00 0.00 H new ATOM 0 HG LEU B 181 73.015 12.201 3.293 1.00 0.00 H new ATOM 0 HD11 LEU B 181 72.303 12.988 1.048 1.00 0.00 H new ATOM 0 HD12 LEU B 181 71.338 13.742 2.339 1.00 0.00 H new ATOM 0 HD13 LEU B 181 72.629 14.668 1.536 1.00 0.00 H new ATOM 0 HD21 LEU B 181 74.692 12.390 1.444 1.00 0.00 H new ATOM 0 HD22 LEU B 181 75.068 14.050 1.967 1.00 0.00 H new ATOM 0 HD23 LEU B 181 75.446 12.674 3.031 1.00 0.00 H new ATOM 691 N LEU B 182 70.196 14.655 3.888 1.00 0.00 N ATOM 692 CA LEU B 182 69.146 15.651 3.398 1.00 0.00 C ATOM 693 C LEU B 182 68.197 16.203 4.494 1.00 0.00 C ATOM 694 O LEU B 182 67.874 17.370 4.463 1.00 0.00 O ATOM 695 CB LEU B 182 68.334 14.999 2.216 1.00 0.00 C ATOM 696 CG LEU B 182 66.824 15.323 2.267 1.00 0.00 C ATOM 697 CD1 LEU B 182 66.582 16.850 2.205 1.00 0.00 C ATOM 698 CD2 LEU B 182 66.139 14.627 1.081 1.00 0.00 C ATOM 0 H LEU B 182 70.140 13.736 3.449 1.00 0.00 H new ATOM 0 HA LEU B 182 69.691 16.530 3.055 1.00 0.00 H new ATOM 0 HB2 LEU B 182 68.742 15.347 1.267 1.00 0.00 H new ATOM 0 HB3 LEU B 182 68.469 13.918 2.244 1.00 0.00 H new ATOM 0 HG LEU B 182 66.407 14.962 3.207 1.00 0.00 H new ATOM 0 HD11 LEU B 182 65.511 17.051 2.243 1.00 0.00 H new ATOM 0 HD12 LEU B 182 67.071 17.331 3.052 1.00 0.00 H new ATOM 0 HD13 LEU B 182 66.993 17.246 1.276 1.00 0.00 H new ATOM 0 HD21 LEU B 182 65.071 14.844 1.099 1.00 0.00 H new ATOM 0 HD22 LEU B 182 66.567 14.992 0.148 1.00 0.00 H new ATOM 0 HD23 LEU B 182 66.292 13.550 1.153 1.00 0.00 H new ATOM 710 N PRO B 183 67.742 15.409 5.416 1.00 0.00 N ATOM 711 CA PRO B 183 66.817 15.858 6.515 1.00 0.00 C ATOM 712 C PRO B 183 67.426 16.670 7.701 1.00 0.00 C ATOM 713 O PRO B 183 66.675 17.361 8.360 1.00 0.00 O ATOM 714 CB PRO B 183 66.200 14.531 7.034 1.00 0.00 C ATOM 715 CG PRO B 183 66.704 13.453 6.116 1.00 0.00 C ATOM 716 CD PRO B 183 67.990 13.988 5.499 1.00 0.00 C ATOM 0 HA PRO B 183 66.120 16.584 6.097 1.00 0.00 H new ATOM 0 HB2 PRO B 183 66.500 14.338 8.064 1.00 0.00 H new ATOM 0 HB3 PRO B 183 65.111 14.576 7.022 1.00 0.00 H new ATOM 0 HG2 PRO B 183 66.890 12.530 6.665 1.00 0.00 H new ATOM 0 HG3 PRO B 183 65.969 13.223 5.345 1.00 0.00 H new ATOM 0 HD2 PRO B 183 68.859 13.765 6.119 1.00 0.00 H new ATOM 0 HD3 PRO B 183 68.179 13.553 4.518 1.00 0.00 H new ATOM 724 N ILE B 184 68.740 16.589 8.031 1.00 0.00 N ATOM 725 CA ILE B 184 69.221 17.372 9.220 1.00 0.00 C ATOM 726 C ILE B 184 69.225 18.892 8.956 1.00 0.00 C ATOM 727 O ILE B 184 68.958 19.665 9.855 1.00 0.00 O ATOM 728 CB ILE B 184 70.597 16.870 9.789 1.00 0.00 C ATOM 729 CG1 ILE B 184 71.141 15.634 9.029 1.00 0.00 C ATOM 730 CG2 ILE B 184 70.426 16.509 11.270 1.00 0.00 C ATOM 731 CD1 ILE B 184 70.178 14.438 9.099 1.00 0.00 C ATOM 0 H ILE B 184 69.445 16.038 7.541 1.00 0.00 H new ATOM 0 HA ILE B 184 68.490 17.182 10.006 1.00 0.00 H new ATOM 0 HB ILE B 184 71.317 17.678 9.661 1.00 0.00 H new ATOM 0 HG12 ILE B 184 71.314 15.898 7.986 1.00 0.00 H new ATOM 0 HG13 ILE B 184 72.105 15.347 9.449 1.00 0.00 H new ATOM 0 HG21 ILE B 184 71.377 16.160 11.672 1.00 0.00 H new ATOM 0 HG22 ILE B 184 70.100 17.389 11.824 1.00 0.00 H new ATOM 0 HG23 ILE B 184 69.679 15.721 11.369 1.00 0.00 H new ATOM 0 HD11 ILE B 184 70.603 13.596 8.552 1.00 0.00 H new ATOM 0 HD12 ILE B 184 70.025 14.154 10.140 1.00 0.00 H new ATOM 0 HD13 ILE B 184 69.222 14.714 8.654 1.00 0.00 H new ATOM 743 N PRO B 185 69.498 19.325 7.748 1.00 0.00 N ATOM 744 CA PRO B 185 69.503 20.780 7.385 1.00 0.00 C ATOM 745 C PRO B 185 68.190 21.480 7.743 1.00 0.00 C ATOM 746 O PRO B 185 68.132 22.688 7.820 1.00 0.00 O ATOM 747 CB PRO B 185 69.735 20.778 5.865 1.00 0.00 C ATOM 748 CG PRO B 185 70.437 19.491 5.599 1.00 0.00 C ATOM 749 CD PRO B 185 69.840 18.494 6.588 1.00 0.00 C ATOM 0 HA PRO B 185 70.265 21.332 7.935 1.00 0.00 H new ATOM 0 HB2 PRO B 185 68.793 20.837 5.319 1.00 0.00 H new ATOM 0 HB3 PRO B 185 70.338 21.631 5.554 1.00 0.00 H new ATOM 0 HG2 PRO B 185 70.283 19.165 4.570 1.00 0.00 H new ATOM 0 HG3 PRO B 185 71.513 19.593 5.744 1.00 0.00 H new ATOM 0 HD2 PRO B 185 68.961 17.998 6.177 1.00 0.00 H new ATOM 0 HD3 PRO B 185 70.553 17.713 6.850 1.00 0.00 H new ATOM 1075 N GLY C 175 79.954 11.923 -5.433 1.00 0.00 N ATOM 1076 CA GLY C 175 80.597 13.062 -4.723 1.00 0.00 C ATOM 1077 C GLY C 175 79.573 14.079 -4.197 1.00 0.00 C ATOM 1078 O GLY C 175 79.758 14.628 -3.128 1.00 0.00 O ATOM 0 HA2 GLY C 175 81.187 12.680 -3.890 1.00 0.00 H new ATOM 0 HA3 GLY C 175 81.289 13.564 -5.399 1.00 0.00 H new ATOM 1082 N TRP C 176 78.523 14.371 -4.974 1.00 0.00 N ATOM 1083 CA TRP C 176 77.526 15.402 -4.544 1.00 0.00 C ATOM 1084 C TRP C 176 76.829 15.064 -3.219 1.00 0.00 C ATOM 1085 O TRP C 176 76.635 15.945 -2.404 1.00 0.00 O ATOM 1086 CB TRP C 176 76.468 15.566 -5.638 1.00 0.00 C ATOM 1087 CG TRP C 176 75.470 16.599 -5.224 1.00 0.00 C ATOM 1088 CD1 TRP C 176 74.299 16.339 -4.600 1.00 0.00 C ATOM 1089 CD2 TRP C 176 75.531 18.045 -5.392 1.00 0.00 C ATOM 1090 NE1 TRP C 176 73.637 17.533 -4.374 1.00 0.00 N ATOM 1091 CE2 TRP C 176 74.356 18.613 -4.844 1.00 0.00 C ATOM 1092 CE3 TRP C 176 76.483 18.912 -5.961 1.00 0.00 C ATOM 1093 CZ2 TRP C 176 74.133 19.990 -4.860 1.00 0.00 C ATOM 1094 CZ3 TRP C 176 76.260 20.299 -5.978 1.00 0.00 C ATOM 1095 CH2 TRP C 176 75.088 20.836 -5.429 1.00 0.00 C ATOM 0 H TRP C 176 78.330 13.935 -5.876 1.00 0.00 H new ATOM 0 HA TRP C 176 78.079 16.327 -4.384 1.00 0.00 H new ATOM 0 HB2 TRP C 176 76.942 15.859 -6.575 1.00 0.00 H new ATOM 0 HB3 TRP C 176 75.967 14.615 -5.819 1.00 0.00 H new ATOM 0 HD1 TRP C 176 73.939 15.359 -4.323 1.00 0.00 H new ATOM 0 HE1 TRP C 176 72.729 17.606 -3.916 1.00 0.00 H new ATOM 0 HE3 TRP C 176 77.390 18.509 -6.387 1.00 0.00 H new ATOM 0 HZ2 TRP C 176 73.228 20.399 -4.435 1.00 0.00 H new ATOM 0 HZ3 TRP C 176 76.997 20.956 -6.417 1.00 0.00 H new ATOM 0 HH2 TRP C 176 74.923 21.903 -5.446 1.00 0.00 H new ATOM 1106 N LEU C 177 76.463 13.801 -2.989 1.00 0.00 N ATOM 1107 CA LEU C 177 75.797 13.454 -1.694 1.00 0.00 C ATOM 1108 C LEU C 177 76.727 13.783 -0.532 1.00 0.00 C ATOM 1109 O LEU C 177 76.319 14.300 0.480 1.00 0.00 O ATOM 1110 CB LEU C 177 75.354 11.981 -1.663 1.00 0.00 C ATOM 1111 CG LEU C 177 76.563 11.020 -1.523 1.00 0.00 C ATOM 1112 CD1 LEU C 177 76.765 10.604 -0.061 1.00 0.00 C ATOM 1113 CD2 LEU C 177 76.319 9.752 -2.353 1.00 0.00 C ATOM 0 H LEU C 177 76.599 13.023 -3.635 1.00 0.00 H new ATOM 0 HA LEU C 177 74.893 14.055 -1.597 1.00 0.00 H new ATOM 0 HB2 LEU C 177 74.667 11.825 -0.831 1.00 0.00 H new ATOM 0 HB3 LEU C 177 74.807 11.746 -2.576 1.00 0.00 H new ATOM 0 HG LEU C 177 77.450 11.545 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU C 177 77.619 9.930 0.011 1.00 0.00 H new ATOM 0 HD12 LEU C 177 76.949 11.490 0.547 1.00 0.00 H new ATOM 0 HD13 LEU C 177 75.871 10.096 0.300 1.00 0.00 H new ATOM 0 HD21 LEU C 177 77.172 9.081 -2.251 1.00 0.00 H new ATOM 0 HD22 LEU C 177 75.418 9.252 -1.997 1.00 0.00 H new ATOM 0 HD23 LEU C 177 76.193 10.022 -3.402 1.00 0.00 H new ATOM 1125 N SER C 178 77.998 13.489 -0.733 1.00 0.00 N ATOM 1126 CA SER C 178 79.052 13.757 0.294 1.00 0.00 C ATOM 1127 C SER C 178 79.096 15.251 0.616 1.00 0.00 C ATOM 1128 O SER C 178 79.277 15.645 1.741 1.00 0.00 O ATOM 1129 CB SER C 178 80.417 13.266 -0.191 1.00 0.00 C ATOM 1130 OG SER C 178 80.961 14.208 -1.108 1.00 0.00 O ATOM 0 H SER C 178 78.350 13.064 -1.590 1.00 0.00 H new ATOM 0 HA SER C 178 78.804 13.210 1.204 1.00 0.00 H new ATOM 0 HB2 SER C 178 81.091 13.136 0.656 1.00 0.00 H new ATOM 0 HB3 SER C 178 80.316 12.292 -0.670 1.00 0.00 H new ATOM 0 HG SER C 178 80.649 14.000 -2.014 1.00 0.00 H new ATOM 1136 N LEU C 179 78.939 16.077 -0.389 1.00 0.00 N ATOM 1137 CA LEU C 179 78.964 17.548 -0.170 1.00 0.00 C ATOM 1138 C LEU C 179 77.852 17.962 0.809 1.00 0.00 C ATOM 1139 O LEU C 179 78.040 18.850 1.617 1.00 0.00 O ATOM 1140 CB LEU C 179 78.767 18.273 -1.506 1.00 0.00 C ATOM 1141 CG LEU C 179 79.168 19.754 -1.371 1.00 0.00 C ATOM 1142 CD1 LEU C 179 80.701 19.905 -1.328 1.00 0.00 C ATOM 1143 CD2 LEU C 179 78.608 20.534 -2.568 1.00 0.00 C ATOM 0 H LEU C 179 78.794 15.789 -1.357 1.00 0.00 H new ATOM 0 HA LEU C 179 79.929 17.822 0.255 1.00 0.00 H new ATOM 0 HB2 LEU C 179 79.368 17.795 -2.280 1.00 0.00 H new ATOM 0 HB3 LEU C 179 77.726 18.198 -1.819 1.00 0.00 H new ATOM 0 HG LEU C 179 78.759 20.148 -0.441 1.00 0.00 H new ATOM 0 HD11 LEU C 179 80.960 20.959 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU C 179 81.097 19.355 -0.474 1.00 0.00 H new ATOM 0 HD13 LEU C 179 81.132 19.507 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU C 179 78.887 21.584 -2.481 1.00 0.00 H new ATOM 0 HD22 LEU C 179 79.017 20.125 -3.492 1.00 0.00 H new ATOM 0 HD23 LEU C 179 77.522 20.447 -2.583 1.00 0.00 H new ATOM 1155 N LEU C 180 76.679 17.339 0.686 1.00 0.00 N ATOM 1156 CA LEU C 180 75.497 17.694 1.547 1.00 0.00 C ATOM 1157 C LEU C 180 75.761 17.509 3.061 1.00 0.00 C ATOM 1158 O LEU C 180 75.317 18.315 3.834 1.00 0.00 O ATOM 1159 CB LEU C 180 74.316 16.775 1.124 1.00 0.00 C ATOM 1160 CG LEU C 180 72.941 17.502 1.158 1.00 0.00 C ATOM 1161 CD1 LEU C 180 71.903 16.785 0.247 1.00 0.00 C ATOM 1162 CD2 LEU C 180 72.403 17.569 2.605 1.00 0.00 C ATOM 0 H LEU C 180 76.500 16.593 0.014 1.00 0.00 H new ATOM 0 HA LEU C 180 75.277 18.751 1.397 1.00 0.00 H new ATOM 0 HB2 LEU C 180 74.498 16.399 0.117 1.00 0.00 H new ATOM 0 HB3 LEU C 180 74.280 15.910 1.786 1.00 0.00 H new ATOM 0 HG LEU C 180 73.091 18.514 0.782 1.00 0.00 H new ATOM 0 HD11 LEU C 180 70.952 17.316 0.291 1.00 0.00 H new ATOM 0 HD12 LEU C 180 72.266 16.776 -0.781 1.00 0.00 H new ATOM 0 HD13 LEU C 180 71.763 15.760 0.591 1.00 0.00 H new ATOM 0 HD21 LEU C 180 71.440 18.080 2.612 1.00 0.00 H new ATOM 0 HD22 LEU C 180 72.280 16.558 2.995 1.00 0.00 H new ATOM 0 HD23 LEU C 180 73.109 18.115 3.231 1.00 0.00 H new ATOM 1174 N LEU C 181 76.453 16.441 3.467 1.00 0.00 N ATOM 1175 CA LEU C 181 76.743 16.180 4.936 1.00 0.00 C ATOM 1176 C LEU C 181 77.574 17.281 5.649 1.00 0.00 C ATOM 1177 O LEU C 181 77.358 17.550 6.812 1.00 0.00 O ATOM 1178 CB LEU C 181 77.362 14.770 5.191 1.00 0.00 C ATOM 1179 CG LEU C 181 78.233 14.278 4.009 1.00 0.00 C ATOM 1180 CD1 LEU C 181 79.672 14.801 4.159 1.00 0.00 C ATOM 1181 CD2 LEU C 181 78.243 12.733 3.961 1.00 0.00 C ATOM 0 H LEU C 181 76.830 15.736 2.834 1.00 0.00 H new ATOM 0 HA LEU C 181 75.755 16.210 5.395 1.00 0.00 H new ATOM 0 HB2 LEU C 181 77.969 14.802 6.096 1.00 0.00 H new ATOM 0 HB3 LEU C 181 76.561 14.053 5.370 1.00 0.00 H new ATOM 0 HG LEU C 181 77.809 14.660 3.081 1.00 0.00 H new ATOM 0 HD11 LEU C 181 80.276 14.449 3.323 1.00 0.00 H new ATOM 0 HD12 LEU C 181 79.664 15.891 4.168 1.00 0.00 H new ATOM 0 HD13 LEU C 181 80.097 14.434 5.093 1.00 0.00 H new ATOM 0 HD21 LEU C 181 78.859 12.399 3.126 1.00 0.00 H new ATOM 0 HD22 LEU C 181 78.653 12.343 4.893 1.00 0.00 H new ATOM 0 HD23 LEU C 181 77.225 12.366 3.831 1.00 0.00 H new ATOM 1193 N LEU C 182 78.580 17.828 4.966 1.00 0.00 N ATOM 1194 CA LEU C 182 79.530 18.837 5.608 1.00 0.00 C ATOM 1195 C LEU C 182 78.861 20.125 6.158 1.00 0.00 C ATOM 1196 O LEU C 182 79.227 20.564 7.225 1.00 0.00 O ATOM 1197 CB LEU C 182 80.646 19.201 4.564 1.00 0.00 C ATOM 1198 CG LEU C 182 81.124 20.668 4.675 1.00 0.00 C ATOM 1199 CD1 LEU C 182 81.593 21.005 6.111 1.00 0.00 C ATOM 1200 CD2 LEU C 182 82.274 20.880 3.678 1.00 0.00 C ATOM 0 H LEU C 182 78.785 17.619 3.989 1.00 0.00 H new ATOM 0 HA LEU C 182 79.944 18.352 6.492 1.00 0.00 H new ATOM 0 HB2 LEU C 182 81.498 18.536 4.705 1.00 0.00 H new ATOM 0 HB3 LEU C 182 80.266 19.024 3.558 1.00 0.00 H new ATOM 0 HG LEU C 182 80.292 21.332 4.443 1.00 0.00 H new ATOM 0 HD11 LEU C 182 81.922 22.043 6.152 1.00 0.00 H new ATOM 0 HD12 LEU C 182 80.767 20.858 6.807 1.00 0.00 H new ATOM 0 HD13 LEU C 182 82.421 20.351 6.386 1.00 0.00 H new ATOM 0 HD21 LEU C 182 82.625 21.910 3.741 1.00 0.00 H new ATOM 0 HD22 LEU C 182 83.093 20.202 3.918 1.00 0.00 H new ATOM 0 HD23 LEU C 182 81.921 20.679 2.667 1.00 0.00 H new ATOM 1212 N PRO C 183 77.910 20.727 5.517 1.00 0.00 N ATOM 1213 CA PRO C 183 77.244 21.952 6.072 1.00 0.00 C ATOM 1214 C PRO C 183 76.421 21.778 7.384 1.00 0.00 C ATOM 1215 O PRO C 183 76.369 22.712 8.159 1.00 0.00 O ATOM 1216 CB PRO C 183 76.348 22.432 4.910 1.00 0.00 C ATOM 1217 CG PRO C 183 76.134 21.222 4.058 1.00 0.00 C ATOM 1218 CD PRO C 183 77.404 20.383 4.192 1.00 0.00 C ATOM 0 HA PRO C 183 78.007 22.660 6.394 1.00 0.00 H new ATOM 0 HB2 PRO C 183 75.401 22.827 5.279 1.00 0.00 H new ATOM 0 HB3 PRO C 183 76.828 23.231 4.346 1.00 0.00 H new ATOM 0 HG2 PRO C 183 75.259 20.662 4.389 1.00 0.00 H new ATOM 0 HG3 PRO C 183 75.959 21.502 3.019 1.00 0.00 H new ATOM 0 HD2 PRO C 183 77.190 19.317 4.110 1.00 0.00 H new ATOM 0 HD3 PRO C 183 78.127 20.624 3.413 1.00 0.00 H new ATOM 1226 N ILE C 184 75.755 20.632 7.644 1.00 0.00 N ATOM 1227 CA ILE C 184 74.949 20.521 8.893 1.00 0.00 C ATOM 1228 C ILE C 184 75.798 20.443 10.177 1.00 0.00 C ATOM 1229 O ILE C 184 75.422 21.038 11.160 1.00 0.00 O ATOM 1230 CB ILE C 184 73.858 19.396 8.816 1.00 0.00 C ATOM 1231 CG1 ILE C 184 74.153 18.347 7.722 1.00 0.00 C ATOM 1232 CG2 ILE C 184 72.494 20.033 8.521 1.00 0.00 C ATOM 1233 CD1 ILE C 184 74.155 18.963 6.317 1.00 0.00 C ATOM 0 H ILE C 184 75.752 19.807 7.045 1.00 0.00 H new ATOM 0 HA ILE C 184 74.409 21.465 8.966 1.00 0.00 H new ATOM 0 HB ILE C 184 73.861 18.884 9.778 1.00 0.00 H new ATOM 0 HG12 ILE C 184 75.121 17.884 7.916 1.00 0.00 H new ATOM 0 HG13 ILE C 184 73.406 17.555 7.769 1.00 0.00 H new ATOM 0 HG21 ILE C 184 71.733 19.255 8.467 1.00 0.00 H new ATOM 0 HG22 ILE C 184 72.240 20.734 9.316 1.00 0.00 H new ATOM 0 HG23 ILE C 184 72.538 20.564 7.570 1.00 0.00 H new ATOM 0 HD11 ILE C 184 74.367 18.188 5.580 1.00 0.00 H new ATOM 0 HD12 ILE C 184 73.179 19.402 6.111 1.00 0.00 H new ATOM 0 HD13 ILE C 184 74.921 19.737 6.260 1.00 0.00 H new