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 -84:sc= 1.13 USER MOD Single : B 178 SER OG : rot 12:sc= 0.252 USER MOD Single : C 178 SER OG : rot -76:sc= 0.416 USER MOD ----------------------------------------------------------------- ATOM 52 N LEU A 174 85.649 6.506 0.768 1.00 0.00 N ATOM 53 CA LEU A 174 84.189 6.612 0.487 1.00 0.00 C ATOM 54 C LEU A 174 83.389 6.298 1.743 1.00 0.00 C ATOM 55 O LEU A 174 82.399 6.930 2.022 1.00 0.00 O ATOM 56 CB LEU A 174 83.791 5.641 -0.633 1.00 0.00 C ATOM 57 CG LEU A 174 84.238 6.190 -1.997 1.00 0.00 C ATOM 58 CD1 LEU A 174 85.762 6.105 -2.128 1.00 0.00 C ATOM 59 CD2 LEU A 174 83.585 5.362 -3.106 1.00 0.00 C ATOM 0 HA LEU A 174 83.971 7.631 0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 174 84.247 4.667 -0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 174 82.711 5.493 -0.629 1.00 0.00 H new ATOM 0 HG LEU A 174 83.935 7.234 -2.082 1.00 0.00 H new ATOM 0 HD11 LEU A 174 86.066 6.497 -3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 174 86.228 6.692 -1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 174 86.077 5.065 -2.042 1.00 0.00 H new ATOM 0 HD21 LEU A 174 83.897 5.745 -4.078 1.00 0.00 H new ATOM 0 HD22 LEU A 174 83.892 4.320 -3.011 1.00 0.00 H new ATOM 0 HD23 LEU A 174 82.501 5.430 -3.020 1.00 0.00 H new ATOM 71 N GLY A 175 83.835 5.306 2.490 1.00 0.00 N ATOM 72 CA GLY A 175 83.132 4.912 3.740 1.00 0.00 C ATOM 73 C GLY A 175 83.074 6.070 4.748 1.00 0.00 C ATOM 74 O GLY A 175 82.086 6.236 5.435 1.00 0.00 O ATOM 0 H GLY A 175 84.665 4.754 2.276 1.00 0.00 H new ATOM 0 HA2 GLY A 175 82.120 4.586 3.501 1.00 0.00 H new ATOM 0 HA3 GLY A 175 83.642 4.061 4.192 1.00 0.00 H new ATOM 78 N TRP A 176 84.164 6.842 4.862 1.00 0.00 N ATOM 79 CA TRP A 176 84.217 7.959 5.855 1.00 0.00 C ATOM 80 C TRP A 176 83.133 9.025 5.638 1.00 0.00 C ATOM 81 O TRP A 176 82.570 9.510 6.599 1.00 0.00 O ATOM 82 CB TRP A 176 85.602 8.616 5.793 1.00 0.00 C ATOM 83 CG TRP A 176 85.652 9.803 6.704 1.00 0.00 C ATOM 84 CD1 TRP A 176 86.021 9.770 8.005 1.00 0.00 C ATOM 85 CD2 TRP A 176 85.337 11.194 6.402 1.00 0.00 C ATOM 86 NE1 TRP A 176 85.955 11.052 8.521 1.00 0.00 N ATOM 87 CE2 TRP A 176 85.537 11.964 7.572 1.00 0.00 C ATOM 88 CE3 TRP A 176 84.902 11.855 5.239 1.00 0.00 C ATOM 89 CZ2 TRP A 176 85.313 13.342 7.588 1.00 0.00 C ATOM 90 CZ3 TRP A 176 84.675 13.241 5.253 1.00 0.00 C ATOM 91 CH2 TRP A 176 84.881 13.983 6.425 1.00 0.00 C ATOM 0 H TRP A 176 85.008 6.730 4.301 1.00 0.00 H new ATOM 0 HA TRP A 176 84.030 7.523 6.836 1.00 0.00 H new ATOM 0 HB2 TRP A 176 86.368 7.895 6.080 1.00 0.00 H new ATOM 0 HB3 TRP A 176 85.821 8.924 4.771 1.00 0.00 H new ATOM 0 HD1 TRP A 176 86.318 8.887 8.552 1.00 0.00 H new ATOM 0 HE1 TRP A 176 86.187 11.294 9.484 1.00 0.00 H new ATOM 0 HE3 TRP A 176 84.742 11.294 4.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 176 85.473 13.908 8.494 1.00 0.00 H new ATOM 0 HZ3 TRP A 176 84.340 13.739 4.355 1.00 0.00 H new ATOM 0 HH2 TRP A 176 84.706 15.049 6.428 1.00 0.00 H new ATOM 102 N LEU A 177 82.836 9.398 4.391 1.00 0.00 N ATOM 103 CA LEU A 177 81.784 10.441 4.172 1.00 0.00 C ATOM 104 C LEU A 177 80.449 9.965 4.742 1.00 0.00 C ATOM 105 O LEU A 177 79.727 10.711 5.362 1.00 0.00 O ATOM 106 CB LEU A 177 81.660 10.795 2.671 1.00 0.00 C ATOM 107 CG LEU A 177 80.975 9.652 1.867 1.00 0.00 C ATOM 108 CD1 LEU A 177 79.478 9.936 1.683 1.00 0.00 C ATOM 109 CD2 LEU A 177 81.608 9.518 0.470 1.00 0.00 C ATOM 0 H LEU A 177 83.272 9.028 3.546 1.00 0.00 H new ATOM 0 HA LEU A 177 82.077 11.350 4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 177 81.085 11.714 2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 177 82.651 10.987 2.259 1.00 0.00 H new ATOM 0 HG LEU A 177 81.112 8.730 2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 177 79.020 9.124 1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 177 79.000 10.014 2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 177 79.349 10.873 1.140 1.00 0.00 H new ATOM 0 HD21 LEU A 177 81.116 8.714 -0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 177 81.488 10.454 -0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 177 82.669 9.291 0.572 1.00 0.00 H new ATOM 121 N SER A 178 80.166 8.692 4.540 1.00 0.00 N ATOM 122 CA SER A 178 78.902 8.065 5.046 1.00 0.00 C ATOM 123 C SER A 178 78.801 8.169 6.570 1.00 0.00 C ATOM 124 O SER A 178 77.743 8.385 7.111 1.00 0.00 O ATOM 125 CB SER A 178 78.817 6.603 4.605 1.00 0.00 C ATOM 126 OG SER A 178 79.586 5.798 5.488 1.00 0.00 O ATOM 0 H SER A 178 80.776 8.051 4.033 1.00 0.00 H new ATOM 0 HA SER A 178 78.062 8.611 4.616 1.00 0.00 H new ATOM 0 HB2 SER A 178 77.779 6.272 4.604 1.00 0.00 H new ATOM 0 HB3 SER A 178 79.186 6.497 3.585 1.00 0.00 H new ATOM 0 HG SER A 178 80.526 5.815 5.211 1.00 0.00 H new ATOM 132 N LEU A 179 79.911 7.987 7.251 1.00 0.00 N ATOM 133 CA LEU A 179 79.924 8.051 8.741 1.00 0.00 C ATOM 134 C LEU A 179 79.449 9.427 9.244 1.00 0.00 C ATOM 135 O LEU A 179 78.792 9.515 10.262 1.00 0.00 O ATOM 136 CB LEU A 179 81.341 7.745 9.278 1.00 0.00 C ATOM 137 CG LEU A 179 81.516 6.228 9.509 1.00 0.00 C ATOM 138 CD1 LEU A 179 83.003 5.862 9.463 1.00 0.00 C ATOM 139 CD2 LEU A 179 80.950 5.840 10.886 1.00 0.00 C ATOM 0 H LEU A 179 80.818 7.794 6.826 1.00 0.00 H new ATOM 0 HA LEU A 179 79.232 7.297 9.116 1.00 0.00 H new ATOM 0 HB2 LEU A 179 82.089 8.100 8.569 1.00 0.00 H new ATOM 0 HB3 LEU A 179 81.506 8.282 10.212 1.00 0.00 H new ATOM 0 HG LEU A 179 80.981 5.691 8.726 1.00 0.00 H new ATOM 0 HD11 LEU A 179 83.119 4.791 9.627 1.00 0.00 H new ATOM 0 HD12 LEU A 179 83.413 6.127 8.488 1.00 0.00 H new ATOM 0 HD13 LEU A 179 83.536 6.408 10.241 1.00 0.00 H new ATOM 0 HD21 LEU A 179 81.077 4.769 11.043 1.00 0.00 H new ATOM 0 HD22 LEU A 179 81.482 6.386 11.665 1.00 0.00 H new ATOM 0 HD23 LEU A 179 79.890 6.090 10.927 1.00 0.00 H new ATOM 151 N LEU A 180 79.851 10.493 8.558 1.00 0.00 N ATOM 152 CA LEU A 180 79.516 11.885 9.003 1.00 0.00 C ATOM 153 C LEU A 180 78.006 12.174 9.100 1.00 0.00 C ATOM 154 O LEU A 180 77.605 12.892 9.986 1.00 0.00 O ATOM 155 CB LEU A 180 80.151 12.908 8.049 1.00 0.00 C ATOM 156 CG LEU A 180 80.295 14.261 8.760 1.00 0.00 C ATOM 157 CD1 LEU A 180 81.363 14.192 9.877 1.00 0.00 C ATOM 158 CD2 LEU A 180 80.675 15.329 7.736 1.00 0.00 C ATOM 0 H LEU A 180 80.402 10.445 7.701 1.00 0.00 H new ATOM 0 HA LEU A 180 79.921 11.973 10.011 1.00 0.00 H new ATOM 0 HB2 LEU A 180 81.128 12.554 7.719 1.00 0.00 H new ATOM 0 HB3 LEU A 180 79.534 13.019 7.157 1.00 0.00 H new ATOM 0 HG LEU A 180 79.342 14.517 9.224 1.00 0.00 H new ATOM 0 HD11 LEU A 180 81.444 15.164 10.364 1.00 0.00 H new ATOM 0 HD12 LEU A 180 81.073 13.441 10.612 1.00 0.00 H new ATOM 0 HD13 LEU A 180 82.326 13.922 9.444 1.00 0.00 H new ATOM 0 HD21 LEU A 180 80.778 16.292 8.236 1.00 0.00 H new ATOM 0 HD22 LEU A 180 81.621 15.061 7.265 1.00 0.00 H new ATOM 0 HD23 LEU A 180 79.897 15.397 6.975 1.00 0.00 H new ATOM 170 N LEU A 181 77.193 11.684 8.168 1.00 0.00 N ATOM 171 CA LEU A 181 75.701 11.957 8.199 1.00 0.00 C ATOM 172 C LEU A 181 74.967 11.431 9.473 1.00 0.00 C ATOM 173 O LEU A 181 74.049 12.069 9.950 1.00 0.00 O ATOM 174 CB LEU A 181 74.981 11.434 6.913 1.00 0.00 C ATOM 175 CG LEU A 181 75.681 10.194 6.299 1.00 0.00 C ATOM 176 CD1 LEU A 181 75.192 8.905 6.983 1.00 0.00 C ATOM 177 CD2 LEU A 181 75.381 10.117 4.790 1.00 0.00 C ATOM 0 H LEU A 181 77.502 11.106 7.387 1.00 0.00 H new ATOM 0 HA LEU A 181 75.633 13.044 8.233 1.00 0.00 H new ATOM 0 HB2 LEU A 181 73.949 11.180 7.157 1.00 0.00 H new ATOM 0 HB3 LEU A 181 74.946 12.232 6.171 1.00 0.00 H new ATOM 0 HG LEU A 181 76.755 10.292 6.454 1.00 0.00 H new ATOM 0 HD11 LEU A 181 75.694 8.045 6.540 1.00 0.00 H new ATOM 0 HD12 LEU A 181 75.420 8.949 8.048 1.00 0.00 H new ATOM 0 HD13 LEU A 181 74.115 8.807 6.847 1.00 0.00 H new ATOM 0 HD21 LEU A 181 75.876 9.244 4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 181 74.305 10.035 4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 181 75.750 11.018 4.299 1.00 0.00 H new ATOM 189 N LEU A 182 75.331 10.232 9.954 1.00 0.00 N ATOM 190 CA LEU A 182 74.613 9.577 11.138 1.00 0.00 C ATOM 191 C LEU A 182 74.632 10.369 12.469 1.00 0.00 C ATOM 192 O LEU A 182 73.638 10.376 13.160 1.00 0.00 O ATOM 193 CB LEU A 182 75.193 8.149 11.373 1.00 0.00 C ATOM 194 CG LEU A 182 74.202 7.195 12.095 1.00 0.00 C ATOM 195 CD1 LEU A 182 73.925 7.650 13.544 1.00 0.00 C ATOM 196 CD2 LEU A 182 72.881 7.068 11.309 1.00 0.00 C ATOM 0 H LEU A 182 76.099 9.679 9.573 1.00 0.00 H new ATOM 0 HA LEU A 182 73.563 9.549 10.846 1.00 0.00 H new ATOM 0 HB2 LEU A 182 75.471 7.714 10.413 1.00 0.00 H new ATOM 0 HB3 LEU A 182 76.106 8.228 11.963 1.00 0.00 H new ATOM 0 HG LEU A 182 74.675 6.214 12.137 1.00 0.00 H new ATOM 0 HD11 LEU A 182 73.228 6.958 14.016 1.00 0.00 H new ATOM 0 HD12 LEU A 182 74.859 7.664 14.106 1.00 0.00 H new ATOM 0 HD13 LEU A 182 73.493 8.651 13.535 1.00 0.00 H new ATOM 0 HD21 LEU A 182 72.206 6.394 11.838 1.00 0.00 H new ATOM 0 HD22 LEU A 182 72.416 8.050 11.218 1.00 0.00 H new ATOM 0 HD23 LEU A 182 73.086 6.670 10.315 1.00 0.00 H new ATOM 208 N PRO A 183 75.708 11.001 12.859 1.00 0.00 N ATOM 209 CA PRO A 183 75.776 11.767 14.152 1.00 0.00 C ATOM 210 C PRO A 183 75.223 13.216 14.178 1.00 0.00 C ATOM 211 O PRO A 183 75.118 13.760 15.257 1.00 0.00 O ATOM 212 CB PRO A 183 77.282 11.782 14.425 1.00 0.00 C ATOM 213 CG PRO A 183 77.881 11.893 13.067 1.00 0.00 C ATOM 214 CD PRO A 183 76.992 11.031 12.164 1.00 0.00 C ATOM 0 HA PRO A 183 75.131 11.286 14.888 1.00 0.00 H new ATOM 0 HB2 PRO A 183 77.567 12.622 15.059 1.00 0.00 H new ATOM 0 HB3 PRO A 183 77.607 10.874 14.934 1.00 0.00 H new ATOM 0 HG2 PRO A 183 77.899 12.929 12.728 1.00 0.00 H new ATOM 0 HG3 PRO A 183 78.911 11.537 13.061 1.00 0.00 H new ATOM 0 HD2 PRO A 183 76.897 11.463 11.168 1.00 0.00 H new ATOM 0 HD3 PRO A 183 77.402 10.029 12.039 1.00 0.00 H new ATOM 222 N ILE A 184 74.881 13.886 13.057 1.00 0.00 N ATOM 223 CA ILE A 184 74.377 15.284 13.227 1.00 0.00 C ATOM 224 C ILE A 184 72.979 15.330 13.871 1.00 0.00 C ATOM 225 O ILE A 184 72.695 16.233 14.628 1.00 0.00 O ATOM 226 CB ILE A 184 74.436 16.131 11.929 1.00 0.00 C ATOM 227 CG1 ILE A 184 75.764 15.880 11.166 1.00 0.00 C ATOM 228 CG2 ILE A 184 74.362 17.620 12.325 1.00 0.00 C ATOM 229 CD1 ILE A 184 75.591 14.798 10.094 1.00 0.00 C ATOM 0 H ILE A 184 74.932 13.532 12.102 1.00 0.00 H new ATOM 0 HA ILE A 184 75.073 15.753 13.923 1.00 0.00 H new ATOM 0 HB ILE A 184 73.606 15.853 11.280 1.00 0.00 H new ATOM 0 HG12 ILE A 184 76.100 16.807 10.700 1.00 0.00 H new ATOM 0 HG13 ILE A 184 76.539 15.578 11.870 1.00 0.00 H new ATOM 0 HG21 ILE A 184 74.402 18.238 11.428 1.00 0.00 H new ATOM 0 HG22 ILE A 184 73.429 17.810 12.855 1.00 0.00 H new ATOM 0 HG23 ILE A 184 75.203 17.866 12.973 1.00 0.00 H new ATOM 0 HD11 ILE A 184 76.538 14.644 9.576 1.00 0.00 H new ATOM 0 HD12 ILE A 184 75.279 13.866 10.565 1.00 0.00 H new ATOM 0 HD13 ILE A 184 74.833 15.114 9.377 1.00 0.00 H new ATOM 573 N GLY B 175 73.069 3.423 -1.446 1.00 0.00 N ATOM 574 CA GLY B 175 72.037 4.468 -1.672 1.00 0.00 C ATOM 575 C GLY B 175 71.452 4.997 -0.354 1.00 0.00 C ATOM 576 O GLY B 175 71.175 6.171 -0.240 1.00 0.00 O ATOM 0 HA2 GLY B 175 72.475 5.295 -2.231 1.00 0.00 H new ATOM 0 HA3 GLY B 175 71.235 4.058 -2.285 1.00 0.00 H new ATOM 580 N TRP B 176 71.218 4.116 0.625 1.00 0.00 N ATOM 581 CA TRP B 176 70.597 4.559 1.910 1.00 0.00 C ATOM 582 C TRP B 176 71.418 5.618 2.663 1.00 0.00 C ATOM 583 O TRP B 176 70.848 6.539 3.212 1.00 0.00 O ATOM 584 CB TRP B 176 70.397 3.349 2.824 1.00 0.00 C ATOM 585 CG TRP B 176 69.528 3.734 3.978 1.00 0.00 C ATOM 586 CD1 TRP B 176 69.974 4.183 5.175 1.00 0.00 C ATOM 587 CD2 TRP B 176 68.074 3.713 4.067 1.00 0.00 C ATOM 588 NE1 TRP B 176 68.886 4.438 5.990 1.00 0.00 N ATOM 589 CE2 TRP B 176 67.692 4.164 5.352 1.00 0.00 C ATOM 590 CE3 TRP B 176 67.059 3.350 3.163 1.00 0.00 C ATOM 591 CZ2 TRP B 176 66.352 4.253 5.728 1.00 0.00 C ATOM 592 CZ3 TRP B 176 65.709 3.437 3.537 1.00 0.00 C ATOM 593 CH2 TRP B 176 65.356 3.887 4.817 1.00 0.00 C ATOM 0 H TRP B 176 71.435 3.121 0.572 1.00 0.00 H new ATOM 0 HA TRP B 176 69.646 5.022 1.646 1.00 0.00 H new ATOM 0 HB2 TRP B 176 69.939 2.531 2.267 1.00 0.00 H new ATOM 0 HB3 TRP B 176 71.361 2.989 3.185 1.00 0.00 H new ATOM 0 HD1 TRP B 176 71.010 4.320 5.449 1.00 0.00 H new ATOM 0 HE1 TRP B 176 68.957 4.786 6.946 1.00 0.00 H new ATOM 0 HE3 TRP B 176 67.320 3.002 2.175 1.00 0.00 H new ATOM 0 HZ2 TRP B 176 66.086 4.602 6.715 1.00 0.00 H new ATOM 0 HZ3 TRP B 176 64.938 3.156 2.835 1.00 0.00 H new ATOM 0 HH2 TRP B 176 64.316 3.951 5.099 1.00 0.00 H new ATOM 604 N LEU B 177 72.748 5.492 2.700 1.00 0.00 N ATOM 605 CA LEU B 177 73.564 6.510 3.440 1.00 0.00 C ATOM 606 C LEU B 177 73.366 7.902 2.852 1.00 0.00 C ATOM 607 O LEU B 177 73.260 8.871 3.568 1.00 0.00 O ATOM 608 CB LEU B 177 75.057 6.132 3.459 1.00 0.00 C ATOM 609 CG LEU B 177 75.714 6.319 2.061 1.00 0.00 C ATOM 610 CD1 LEU B 177 76.462 7.658 1.985 1.00 0.00 C ATOM 611 CD2 LEU B 177 76.723 5.192 1.797 1.00 0.00 C ATOM 0 H LEU B 177 73.279 4.742 2.257 1.00 0.00 H new ATOM 0 HA LEU B 177 73.212 6.523 4.472 1.00 0.00 H new ATOM 0 HB2 LEU B 177 75.579 6.747 4.192 1.00 0.00 H new ATOM 0 HB3 LEU B 177 75.166 5.095 3.777 1.00 0.00 H new ATOM 0 HG LEU B 177 74.919 6.299 1.315 1.00 0.00 H new ATOM 0 HD11 LEU B 177 76.913 7.767 0.999 1.00 0.00 H new ATOM 0 HD12 LEU B 177 75.762 8.476 2.156 1.00 0.00 H new ATOM 0 HD13 LEU B 177 77.242 7.683 2.746 1.00 0.00 H new ATOM 0 HD21 LEU B 177 77.177 5.332 0.816 1.00 0.00 H new ATOM 0 HD22 LEU B 177 77.499 5.212 2.562 1.00 0.00 H new ATOM 0 HD23 LEU B 177 76.210 4.231 1.825 1.00 0.00 H new ATOM 623 N SER B 178 73.305 7.972 1.534 1.00 0.00 N ATOM 624 CA SER B 178 73.115 9.276 0.826 1.00 0.00 C ATOM 625 C SER B 178 71.800 9.945 1.248 1.00 0.00 C ATOM 626 O SER B 178 71.733 11.134 1.400 1.00 0.00 O ATOM 627 CB SER B 178 73.192 9.081 -0.695 1.00 0.00 C ATOM 628 OG SER B 178 72.432 7.944 -1.067 1.00 0.00 O ATOM 0 H SER B 178 73.381 7.164 0.916 1.00 0.00 H new ATOM 0 HA SER B 178 73.925 9.946 1.115 1.00 0.00 H new ATOM 0 HB2 SER B 178 72.814 9.967 -1.205 1.00 0.00 H new ATOM 0 HB3 SER B 178 74.230 8.954 -1.004 1.00 0.00 H new ATOM 0 HG SER B 178 71.886 7.653 -0.307 1.00 0.00 H new ATOM 634 N LEU B 179 70.760 9.157 1.418 1.00 0.00 N ATOM 635 CA LEU B 179 69.416 9.681 1.830 1.00 0.00 C ATOM 636 C LEU B 179 69.461 10.409 3.194 1.00 0.00 C ATOM 637 O LEU B 179 68.739 11.364 3.402 1.00 0.00 O ATOM 638 CB LEU B 179 68.386 8.527 1.880 1.00 0.00 C ATOM 639 CG LEU B 179 67.689 8.348 0.520 1.00 0.00 C ATOM 640 CD1 LEU B 179 68.676 7.787 -0.506 1.00 0.00 C ATOM 641 CD2 LEU B 179 66.525 7.369 0.680 1.00 0.00 C ATOM 0 H LEU B 179 70.790 8.146 1.284 1.00 0.00 H new ATOM 0 HA LEU B 179 69.112 10.412 1.081 1.00 0.00 H new ATOM 0 HB2 LEU B 179 68.887 7.600 2.160 1.00 0.00 H new ATOM 0 HB3 LEU B 179 67.642 8.733 2.649 1.00 0.00 H new ATOM 0 HG LEU B 179 67.323 9.315 0.175 1.00 0.00 H new ATOM 0 HD11 LEU B 179 68.173 7.664 -1.465 1.00 0.00 H new ATOM 0 HD12 LEU B 179 69.513 8.476 -0.621 1.00 0.00 H new ATOM 0 HD13 LEU B 179 69.046 6.821 -0.164 1.00 0.00 H new ATOM 0 HD21 LEU B 179 66.026 7.237 -0.280 1.00 0.00 H new ATOM 0 HD22 LEU B 179 66.903 6.408 1.028 1.00 0.00 H new ATOM 0 HD23 LEU B 179 65.815 7.764 1.407 1.00 0.00 H new ATOM 653 N LEU B 180 70.236 9.881 4.136 1.00 0.00 N ATOM 654 CA LEU B 180 70.278 10.425 5.538 1.00 0.00 C ATOM 655 C LEU B 180 70.703 11.899 5.653 1.00 0.00 C ATOM 656 O LEU B 180 70.199 12.583 6.495 1.00 0.00 O ATOM 657 CB LEU B 180 71.230 9.579 6.390 1.00 0.00 C ATOM 658 CG LEU B 180 70.974 9.847 7.878 1.00 0.00 C ATOM 659 CD1 LEU B 180 69.580 9.327 8.303 1.00 0.00 C ATOM 660 CD2 LEU B 180 72.060 9.156 8.707 1.00 0.00 C ATOM 0 H LEU B 180 70.849 9.081 3.980 1.00 0.00 H new ATOM 0 HA LEU B 180 69.249 10.372 5.894 1.00 0.00 H new ATOM 0 HB2 LEU B 180 71.085 8.521 6.172 1.00 0.00 H new ATOM 0 HB3 LEU B 180 72.264 9.817 6.141 1.00 0.00 H new ATOM 0 HG LEU B 180 71.002 10.923 8.050 1.00 0.00 H new ATOM 0 HD11 LEU B 180 69.424 9.530 9.363 1.00 0.00 H new ATOM 0 HD12 LEU B 180 68.810 9.832 7.720 1.00 0.00 H new ATOM 0 HD13 LEU B 180 69.523 8.253 8.127 1.00 0.00 H new ATOM 0 HD21 LEU B 180 71.883 9.343 9.766 1.00 0.00 H new ATOM 0 HD22 LEU B 180 72.034 8.083 8.519 1.00 0.00 H new ATOM 0 HD23 LEU B 180 73.037 9.550 8.427 1.00 0.00 H new ATOM 672 N LEU B 181 71.665 12.356 4.880 1.00 0.00 N ATOM 673 CA LEU B 181 72.146 13.791 4.975 1.00 0.00 C ATOM 674 C LEU B 181 71.055 14.854 4.689 1.00 0.00 C ATOM 675 O LEU B 181 71.083 15.915 5.266 1.00 0.00 O ATOM 676 CB LEU B 181 73.377 14.058 4.067 1.00 0.00 C ATOM 677 CG LEU B 181 73.319 13.212 2.768 1.00 0.00 C ATOM 678 CD1 LEU B 181 72.607 13.987 1.642 1.00 0.00 C ATOM 679 CD2 LEU B 181 74.733 12.847 2.324 1.00 0.00 C ATOM 0 H LEU B 181 72.147 11.795 4.178 1.00 0.00 H new ATOM 0 HA LEU B 181 72.433 13.902 6.021 1.00 0.00 H new ATOM 0 HB2 LEU B 181 73.419 15.117 3.811 1.00 0.00 H new ATOM 0 HB3 LEU B 181 74.291 13.825 4.614 1.00 0.00 H new ATOM 0 HG LEU B 181 72.755 12.303 2.975 1.00 0.00 H new ATOM 0 HD11 LEU B 181 72.578 13.375 0.741 1.00 0.00 H new ATOM 0 HD12 LEU B 181 71.589 14.226 1.952 1.00 0.00 H new ATOM 0 HD13 LEU B 181 73.149 14.910 1.436 1.00 0.00 H new ATOM 0 HD21 LEU B 181 74.686 12.253 1.411 1.00 0.00 H new ATOM 0 HD22 LEU B 181 75.302 13.758 2.135 1.00 0.00 H new ATOM 0 HD23 LEU B 181 75.223 12.269 3.108 1.00 0.00 H new ATOM 691 N LEU B 182 70.190 14.606 3.708 1.00 0.00 N ATOM 692 CA LEU B 182 69.180 15.659 3.259 1.00 0.00 C ATOM 693 C LEU B 182 68.207 16.149 4.364 1.00 0.00 C ATOM 694 O LEU B 182 67.895 17.320 4.395 1.00 0.00 O ATOM 695 CB LEU B 182 68.400 15.151 1.983 1.00 0.00 C ATOM 696 CG LEU B 182 66.859 15.154 2.159 1.00 0.00 C ATOM 697 CD1 LEU B 182 66.310 16.601 2.144 1.00 0.00 C ATOM 698 CD2 LEU B 182 66.232 14.343 1.012 1.00 0.00 C ATOM 0 H LEU B 182 70.138 13.723 3.199 1.00 0.00 H new ATOM 0 HA LEU B 182 69.764 16.544 3.007 1.00 0.00 H new ATOM 0 HB2 LEU B 182 68.662 15.780 1.132 1.00 0.00 H new ATOM 0 HB3 LEU B 182 68.729 14.139 1.745 1.00 0.00 H new ATOM 0 HG LEU B 182 66.603 14.706 3.119 1.00 0.00 H new ATOM 0 HD11 LEU B 182 65.227 16.581 2.269 1.00 0.00 H new ATOM 0 HD12 LEU B 182 66.759 17.169 2.959 1.00 0.00 H new ATOM 0 HD13 LEU B 182 66.557 17.074 1.193 1.00 0.00 H new ATOM 0 HD21 LEU B 182 65.148 14.336 1.122 1.00 0.00 H new ATOM 0 HD22 LEU B 182 66.497 14.798 0.058 1.00 0.00 H new ATOM 0 HD23 LEU B 182 66.607 13.320 1.043 1.00 0.00 H new ATOM 710 N PRO B 183 67.703 15.310 5.221 1.00 0.00 N ATOM 711 CA PRO B 183 66.744 15.719 6.309 1.00 0.00 C ATOM 712 C PRO B 183 67.325 16.490 7.543 1.00 0.00 C ATOM 713 O PRO B 183 66.574 17.208 8.172 1.00 0.00 O ATOM 714 CB PRO B 183 66.119 14.370 6.755 1.00 0.00 C ATOM 715 CG PRO B 183 66.582 13.362 5.746 1.00 0.00 C ATOM 716 CD PRO B 183 67.924 13.879 5.258 1.00 0.00 C ATOM 0 HA PRO B 183 66.053 16.460 5.906 1.00 0.00 H new ATOM 0 HB2 PRO B 183 66.445 14.099 7.759 1.00 0.00 H new ATOM 0 HB3 PRO B 183 65.031 14.430 6.779 1.00 0.00 H new ATOM 0 HG2 PRO B 183 66.680 12.373 6.193 1.00 0.00 H new ATOM 0 HG3 PRO B 183 65.872 13.272 4.924 1.00 0.00 H new ATOM 0 HD2 PRO B 183 68.735 13.609 5.934 1.00 0.00 H new ATOM 0 HD3 PRO B 183 68.182 13.481 4.277 1.00 0.00 H new ATOM 724 N ILE B 184 68.621 16.349 7.933 1.00 0.00 N ATOM 725 CA ILE B 184 69.093 17.099 9.152 1.00 0.00 C ATOM 726 C ILE B 184 69.192 18.623 8.926 1.00 0.00 C ATOM 727 O ILE B 184 68.933 19.386 9.835 1.00 0.00 O ATOM 728 CB ILE B 184 70.418 16.541 9.742 1.00 0.00 C ATOM 729 CG1 ILE B 184 70.399 15.005 9.789 1.00 0.00 C ATOM 730 CG2 ILE B 184 70.561 17.050 11.188 1.00 0.00 C ATOM 731 CD1 ILE B 184 70.466 14.399 8.387 1.00 0.00 C ATOM 0 H ILE B 184 69.320 15.770 7.468 1.00 0.00 H new ATOM 0 HA ILE B 184 68.314 16.931 9.895 1.00 0.00 H new ATOM 0 HB ILE B 184 71.243 16.872 9.111 1.00 0.00 H new ATOM 0 HG12 ILE B 184 71.242 14.648 10.381 1.00 0.00 H new ATOM 0 HG13 ILE B 184 69.492 14.667 10.289 1.00 0.00 H new ATOM 0 HG21 ILE B 184 71.487 16.668 11.618 1.00 0.00 H new ATOM 0 HG22 ILE B 184 70.583 18.140 11.190 1.00 0.00 H new ATOM 0 HG23 ILE B 184 69.715 16.703 11.781 1.00 0.00 H new ATOM 0 HD11 ILE B 184 70.451 13.312 8.460 1.00 0.00 H new ATOM 0 HD12 ILE B 184 69.609 14.736 7.804 1.00 0.00 H new ATOM 0 HD13 ILE B 184 71.386 14.717 7.897 1.00 0.00 H new ATOM 743 N PRO B 185 69.558 19.079 7.747 1.00 0.00 N ATOM 744 CA PRO B 185 69.679 20.543 7.460 1.00 0.00 C ATOM 745 C PRO B 185 68.355 21.277 7.684 1.00 0.00 C ATOM 746 O PRO B 185 68.325 22.481 7.834 1.00 0.00 O ATOM 747 CB PRO B 185 70.104 20.624 5.975 1.00 0.00 C ATOM 748 CG PRO B 185 70.520 19.237 5.574 1.00 0.00 C ATOM 749 CD PRO B 185 69.884 18.262 6.578 1.00 0.00 C ATOM 0 HA PRO B 185 70.398 21.021 8.126 1.00 0.00 H new ATOM 0 HB2 PRO B 185 69.280 20.977 5.354 1.00 0.00 H new ATOM 0 HB3 PRO B 185 70.926 21.328 5.844 1.00 0.00 H new ATOM 0 HG2 PRO B 185 70.189 19.015 4.560 1.00 0.00 H new ATOM 0 HG3 PRO B 185 71.606 19.144 5.583 1.00 0.00 H new ATOM 0 HD2 PRO B 185 68.991 17.794 6.162 1.00 0.00 H new ATOM 0 HD3 PRO B 185 70.573 17.459 6.838 1.00 0.00 H new ATOM 1075 N GLY C 175 80.348 12.650 -5.543 1.00 0.00 N ATOM 1076 CA GLY C 175 81.077 13.634 -4.692 1.00 0.00 C ATOM 1077 C GLY C 175 80.137 14.721 -4.161 1.00 0.00 C ATOM 1078 O GLY C 175 80.258 15.129 -3.022 1.00 0.00 O ATOM 0 HA2 GLY C 175 81.546 13.116 -3.855 1.00 0.00 H new ATOM 0 HA3 GLY C 175 81.878 14.095 -5.271 1.00 0.00 H new ATOM 1082 N TRP C 176 79.206 15.193 -4.997 1.00 0.00 N ATOM 1083 CA TRP C 176 78.261 16.257 -4.556 1.00 0.00 C ATOM 1084 C TRP C 176 77.430 15.791 -3.361 1.00 0.00 C ATOM 1085 O TRP C 176 77.181 16.548 -2.443 1.00 0.00 O ATOM 1086 CB TRP C 176 77.330 16.640 -5.718 1.00 0.00 C ATOM 1087 CG TRP C 176 78.051 17.544 -6.670 1.00 0.00 C ATOM 1088 CD1 TRP C 176 79.295 17.326 -7.156 1.00 0.00 C ATOM 1089 CD2 TRP C 176 77.599 18.800 -7.254 1.00 0.00 C ATOM 1090 NE1 TRP C 176 79.635 18.368 -8.000 1.00 0.00 N ATOM 1091 CE2 TRP C 176 78.622 19.302 -8.092 1.00 0.00 C ATOM 1092 CE3 TRP C 176 76.412 19.547 -7.137 1.00 0.00 C ATOM 1093 CZ2 TRP C 176 78.473 20.500 -8.791 1.00 0.00 C ATOM 1094 CZ3 TRP C 176 76.258 20.753 -7.840 1.00 0.00 C ATOM 1095 CH2 TRP C 176 77.287 21.229 -8.665 1.00 0.00 C ATOM 0 H TRP C 176 79.077 14.875 -5.958 1.00 0.00 H new ATOM 0 HA TRP C 176 78.843 17.127 -4.251 1.00 0.00 H new ATOM 0 HB2 TRP C 176 76.994 15.743 -6.238 1.00 0.00 H new ATOM 0 HB3 TRP C 176 76.440 17.137 -5.334 1.00 0.00 H new ATOM 0 HD1 TRP C 176 79.920 16.477 -6.923 1.00 0.00 H new ATOM 0 HE1 TRP C 176 80.525 18.438 -8.494 1.00 0.00 H new ATOM 0 HE3 TRP C 176 75.614 19.190 -6.502 1.00 0.00 H new ATOM 0 HZ2 TRP C 176 79.269 20.862 -9.425 1.00 0.00 H new ATOM 0 HZ3 TRP C 176 75.342 21.317 -7.745 1.00 0.00 H new ATOM 0 HH2 TRP C 176 77.163 22.158 -9.202 1.00 0.00 H new ATOM 1106 N LEU C 177 77.009 14.533 -3.396 1.00 0.00 N ATOM 1107 CA LEU C 177 76.186 13.958 -2.294 1.00 0.00 C ATOM 1108 C LEU C 177 76.968 14.021 -0.976 1.00 0.00 C ATOM 1109 O LEU C 177 76.452 14.367 0.063 1.00 0.00 O ATOM 1110 CB LEU C 177 75.885 12.511 -2.711 1.00 0.00 C ATOM 1111 CG LEU C 177 75.208 11.697 -1.604 1.00 0.00 C ATOM 1112 CD1 LEU C 177 76.234 11.206 -0.553 1.00 0.00 C ATOM 1113 CD2 LEU C 177 74.103 12.533 -0.949 1.00 0.00 C ATOM 0 H LEU C 177 77.211 13.884 -4.157 1.00 0.00 H new ATOM 0 HA LEU C 177 75.260 14.509 -2.132 1.00 0.00 H new ATOM 0 HB2 LEU C 177 75.244 12.519 -3.592 1.00 0.00 H new ATOM 0 HB3 LEU C 177 76.815 12.021 -2.998 1.00 0.00 H new ATOM 0 HG LEU C 177 74.760 10.810 -2.052 1.00 0.00 H new ATOM 0 HD11 LEU C 177 75.719 10.632 0.218 1.00 0.00 H new ATOM 0 HD12 LEU C 177 76.979 10.575 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU C 177 76.727 12.065 -0.097 1.00 0.00 H new ATOM 0 HD21 LEU C 177 73.624 11.950 -0.162 1.00 0.00 H new ATOM 0 HD22 LEU C 177 74.536 13.436 -0.519 1.00 0.00 H new ATOM 0 HD23 LEU C 177 73.362 12.808 -1.699 1.00 0.00 H new ATOM 1125 N SER C 178 78.239 13.725 -1.076 1.00 0.00 N ATOM 1126 CA SER C 178 79.189 13.761 0.088 1.00 0.00 C ATOM 1127 C SER C 178 79.256 15.166 0.710 1.00 0.00 C ATOM 1128 O SER C 178 79.379 15.314 1.900 1.00 0.00 O ATOM 1129 CB SER C 178 80.588 13.274 -0.325 1.00 0.00 C ATOM 1130 OG SER C 178 81.466 14.387 -0.439 1.00 0.00 O ATOM 0 H SER C 178 78.679 13.448 -1.954 1.00 0.00 H new ATOM 0 HA SER C 178 78.807 13.079 0.848 1.00 0.00 H new ATOM 0 HB2 SER C 178 80.971 12.570 0.413 1.00 0.00 H new ATOM 0 HB3 SER C 178 80.533 12.742 -1.275 1.00 0.00 H new ATOM 0 HG SER C 178 81.282 14.865 -1.275 1.00 0.00 H new ATOM 1136 N LEU C 179 79.226 16.188 -0.122 1.00 0.00 N ATOM 1137 CA LEU C 179 79.334 17.607 0.351 1.00 0.00 C ATOM 1138 C LEU C 179 78.216 17.986 1.340 1.00 0.00 C ATOM 1139 O LEU C 179 78.456 18.749 2.246 1.00 0.00 O ATOM 1140 CB LEU C 179 79.299 18.574 -0.839 1.00 0.00 C ATOM 1141 CG LEU C 179 80.514 18.353 -1.753 1.00 0.00 C ATOM 1142 CD1 LEU C 179 80.384 19.269 -2.976 1.00 0.00 C ATOM 1143 CD2 LEU C 179 81.819 18.685 -1.002 1.00 0.00 C ATOM 0 H LEU C 179 79.129 16.091 -1.133 1.00 0.00 H new ATOM 0 HA LEU C 179 80.288 17.688 0.873 1.00 0.00 H new ATOM 0 HB2 LEU C 179 78.380 18.428 -1.406 1.00 0.00 H new ATOM 0 HB3 LEU C 179 79.291 19.603 -0.478 1.00 0.00 H new ATOM 0 HG LEU C 179 80.546 17.309 -2.064 1.00 0.00 H new ATOM 0 HD11 LEU C 179 81.241 19.122 -3.633 1.00 0.00 H new ATOM 0 HD12 LEU C 179 79.468 19.029 -3.515 1.00 0.00 H new ATOM 0 HD13 LEU C 179 80.351 20.309 -2.650 1.00 0.00 H new ATOM 0 HD21 LEU C 179 82.670 18.523 -1.663 1.00 0.00 H new ATOM 0 HD22 LEU C 179 81.800 19.727 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU C 179 81.910 18.040 -0.128 1.00 0.00 H new ATOM 1155 N LEU C 180 76.995 17.519 1.119 1.00 0.00 N ATOM 1156 CA LEU C 180 75.826 17.908 1.991 1.00 0.00 C ATOM 1157 C LEU C 180 76.006 17.549 3.486 1.00 0.00 C ATOM 1158 O LEU C 180 75.551 18.276 4.324 1.00 0.00 O ATOM 1159 CB LEU C 180 74.537 17.232 1.475 1.00 0.00 C ATOM 1160 CG LEU C 180 73.310 18.119 1.763 1.00 0.00 C ATOM 1161 CD1 LEU C 180 73.147 19.183 0.663 1.00 0.00 C ATOM 1162 CD2 LEU C 180 72.048 17.258 1.822 1.00 0.00 C ATOM 0 H LEU C 180 76.760 16.878 0.362 1.00 0.00 H new ATOM 0 HA LEU C 180 75.760 18.994 1.928 1.00 0.00 H new ATOM 0 HB2 LEU C 180 74.618 17.051 0.403 1.00 0.00 H new ATOM 0 HB3 LEU C 180 74.412 16.261 1.954 1.00 0.00 H new ATOM 0 HG LEU C 180 73.460 18.616 2.721 1.00 0.00 H new ATOM 0 HD11 LEU C 180 72.276 19.801 0.881 1.00 0.00 H new ATOM 0 HD12 LEU C 180 74.038 19.810 0.629 1.00 0.00 H new ATOM 0 HD13 LEU C 180 73.011 18.692 -0.301 1.00 0.00 H new ATOM 0 HD21 LEU C 180 71.185 17.891 2.026 1.00 0.00 H new ATOM 0 HD22 LEU C 180 71.909 16.751 0.867 1.00 0.00 H new ATOM 0 HD23 LEU C 180 72.150 16.517 2.615 1.00 0.00 H new ATOM 1174 N LEU C 181 76.579 16.403 3.809 1.00 0.00 N ATOM 1175 CA LEU C 181 76.737 15.989 5.258 1.00 0.00 C ATOM 1176 C LEU C 181 77.592 16.975 6.109 1.00 0.00 C ATOM 1177 O LEU C 181 77.313 17.173 7.274 1.00 0.00 O ATOM 1178 CB LEU C 181 77.287 14.533 5.397 1.00 0.00 C ATOM 1179 CG LEU C 181 78.188 14.114 4.201 1.00 0.00 C ATOM 1180 CD1 LEU C 181 79.623 14.622 4.408 1.00 0.00 C ATOM 1181 CD2 LEU C 181 78.216 12.574 4.068 1.00 0.00 C ATOM 0 H LEU C 181 76.946 15.734 3.132 1.00 0.00 H new ATOM 0 HA LEU C 181 75.727 16.022 5.665 1.00 0.00 H new ATOM 0 HB2 LEU C 181 77.858 14.452 6.322 1.00 0.00 H new ATOM 0 HB3 LEU C 181 76.450 13.839 5.476 1.00 0.00 H new ATOM 0 HG LEU C 181 77.774 14.553 3.293 1.00 0.00 H new ATOM 0 HD11 LEU C 181 80.241 14.321 3.562 1.00 0.00 H new ATOM 0 HD12 LEU C 181 79.617 15.709 4.484 1.00 0.00 H new ATOM 0 HD13 LEU C 181 80.031 14.197 5.325 1.00 0.00 H new ATOM 0 HD21 LEU C 181 78.850 12.293 3.227 1.00 0.00 H new ATOM 0 HD22 LEU C 181 78.613 12.137 4.984 1.00 0.00 H new ATOM 0 HD23 LEU C 181 77.204 12.205 3.899 1.00 0.00 H new ATOM 1193 N LEU C 182 78.669 17.506 5.535 1.00 0.00 N ATOM 1194 CA LEU C 182 79.641 18.402 6.284 1.00 0.00 C ATOM 1195 C LEU C 182 79.050 19.701 6.890 1.00 0.00 C ATOM 1196 O LEU C 182 79.466 20.077 7.961 1.00 0.00 O ATOM 1197 CB LEU C 182 80.832 18.722 5.339 1.00 0.00 C ATOM 1198 CG LEU C 182 81.941 19.566 6.019 1.00 0.00 C ATOM 1199 CD1 LEU C 182 81.514 21.043 6.193 1.00 0.00 C ATOM 1200 CD2 LEU C 182 82.327 18.951 7.375 1.00 0.00 C ATOM 0 H LEU C 182 78.918 17.351 4.558 1.00 0.00 H new ATOM 0 HA LEU C 182 79.956 17.840 7.163 1.00 0.00 H new ATOM 0 HB2 LEU C 182 81.264 17.788 4.980 1.00 0.00 H new ATOM 0 HB3 LEU C 182 80.461 19.258 4.465 1.00 0.00 H new ATOM 0 HG LEU C 182 82.813 19.554 5.365 1.00 0.00 H new ATOM 0 HD11 LEU C 182 82.319 21.600 6.673 1.00 0.00 H new ATOM 0 HD12 LEU C 182 81.304 21.478 5.216 1.00 0.00 H new ATOM 0 HD13 LEU C 182 80.619 21.092 6.813 1.00 0.00 H new ATOM 0 HD21 LEU C 182 83.106 19.555 7.840 1.00 0.00 H new ATOM 0 HD22 LEU C 182 81.452 18.925 8.025 1.00 0.00 H new ATOM 0 HD23 LEU C 182 82.696 17.937 7.223 1.00 0.00 H new ATOM 1212 N PRO C 183 78.163 20.415 6.248 1.00 0.00 N ATOM 1213 CA PRO C 183 77.610 21.705 6.786 1.00 0.00 C ATOM 1214 C PRO C 183 76.543 21.631 7.925 1.00 0.00 C ATOM 1215 O PRO C 183 76.355 22.629 8.593 1.00 0.00 O ATOM 1216 CB PRO C 183 77.014 22.391 5.525 1.00 0.00 C ATOM 1217 CG PRO C 183 77.425 21.526 4.369 1.00 0.00 C ATOM 1218 CD PRO C 183 77.586 20.136 4.955 1.00 0.00 C ATOM 0 HA PRO C 183 78.414 22.239 7.293 1.00 0.00 H new ATOM 0 HB2 PRO C 183 75.929 22.465 5.594 1.00 0.00 H new ATOM 0 HB3 PRO C 183 77.396 23.406 5.412 1.00 0.00 H new ATOM 0 HG2 PRO C 183 76.672 21.537 3.581 1.00 0.00 H new ATOM 0 HG3 PRO C 183 78.356 21.877 3.925 1.00 0.00 H new ATOM 0 HD2 PRO C 183 76.631 19.616 5.039 1.00 0.00 H new ATOM 0 HD3 PRO C 183 78.237 19.510 4.345 1.00 0.00 H new ATOM 1226 N ILE C 184 75.811 20.511 8.151 1.00 0.00 N ATOM 1227 CA ILE C 184 74.766 20.537 9.242 1.00 0.00 C ATOM 1228 C ILE C 184 75.335 20.585 10.681 1.00 0.00 C ATOM 1229 O ILE C 184 74.715 21.163 11.551 1.00 0.00 O ATOM 1230 CB ILE C 184 73.720 19.404 9.102 1.00 0.00 C ATOM 1231 CG1 ILE C 184 73.147 19.362 7.683 1.00 0.00 C ATOM 1232 CG2 ILE C 184 72.561 19.699 10.057 1.00 0.00 C ATOM 1233 CD1 ILE C 184 74.202 18.897 6.668 1.00 0.00 C ATOM 0 H ILE C 184 75.901 19.632 7.642 1.00 0.00 H new ATOM 0 HA ILE C 184 74.258 21.489 9.087 1.00 0.00 H new ATOM 0 HB ILE C 184 74.203 18.453 9.327 1.00 0.00 H new ATOM 0 HG12 ILE C 184 72.290 18.689 7.654 1.00 0.00 H new ATOM 0 HG13 ILE C 184 72.784 20.352 7.406 1.00 0.00 H new ATOM 0 HG21 ILE C 184 71.812 18.912 9.974 1.00 0.00 H new ATOM 0 HG22 ILE C 184 72.934 19.739 11.080 1.00 0.00 H new ATOM 0 HG23 ILE C 184 72.111 20.657 9.798 1.00 0.00 H new ATOM 0 HD11 ILE C 184 73.763 18.878 5.670 1.00 0.00 H new ATOM 0 HD12 ILE C 184 75.047 19.586 6.680 1.00 0.00 H new ATOM 0 HD13 ILE C 184 74.545 17.897 6.932 1.00 0.00 H new