USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 291 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 178 SER OG : rot 180:sc= 0 USER MOD Single : B 178 SER OG : rot -70:sc= 1.1 USER MOD Single : C 178 SER OG : rot -87:sc= 0.861 USER MOD ----------------------------------------------------------------- ATOM 52 N LEU A 174 85.311 6.204 0.500 1.00 0.00 N ATOM 53 CA LEU A 174 83.839 6.343 0.314 1.00 0.00 C ATOM 54 C LEU A 174 83.111 6.158 1.639 1.00 0.00 C ATOM 55 O LEU A 174 82.166 6.852 1.929 1.00 0.00 O ATOM 56 CB LEU A 174 83.343 5.309 -0.709 1.00 0.00 C ATOM 57 CG LEU A 174 81.994 5.754 -1.313 1.00 0.00 C ATOM 58 CD1 LEU A 174 82.220 6.762 -2.451 1.00 0.00 C ATOM 59 CD2 LEU A 174 81.252 4.531 -1.867 1.00 0.00 C ATOM 0 HA LEU A 174 83.628 7.346 -0.058 1.00 0.00 H new ATOM 0 HB2 LEU A 174 84.082 5.189 -1.502 1.00 0.00 H new ATOM 0 HB3 LEU A 174 83.231 4.337 -0.228 1.00 0.00 H new ATOM 0 HG LEU A 174 81.402 6.228 -0.530 1.00 0.00 H new ATOM 0 HD11 LEU A 174 81.258 7.065 -2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 174 82.740 7.638 -2.063 1.00 0.00 H new ATOM 0 HD13 LEU A 174 82.822 6.299 -3.233 1.00 0.00 H new ATOM 0 HD21 LEU A 174 80.299 4.846 -2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 174 81.857 4.058 -2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 174 81.071 3.819 -1.061 1.00 0.00 H new ATOM 71 N GLY A 175 83.572 5.207 2.431 1.00 0.00 N ATOM 72 CA GLY A 175 82.946 4.934 3.752 1.00 0.00 C ATOM 73 C GLY A 175 82.998 6.159 4.677 1.00 0.00 C ATOM 74 O GLY A 175 82.070 6.404 5.421 1.00 0.00 O ATOM 0 H GLY A 175 84.366 4.608 2.205 1.00 0.00 H new ATOM 0 HA2 GLY A 175 81.908 4.633 3.606 1.00 0.00 H new ATOM 0 HA3 GLY A 175 83.456 4.097 4.229 1.00 0.00 H new ATOM 78 N TRP A 176 84.121 6.892 4.664 1.00 0.00 N ATOM 79 CA TRP A 176 84.287 8.063 5.580 1.00 0.00 C ATOM 80 C TRP A 176 83.226 9.158 5.376 1.00 0.00 C ATOM 81 O TRP A 176 82.751 9.723 6.340 1.00 0.00 O ATOM 82 CB TRP A 176 85.695 8.662 5.377 1.00 0.00 C ATOM 83 CG TRP A 176 86.222 9.218 6.666 1.00 0.00 C ATOM 84 CD1 TRP A 176 85.876 10.412 7.202 1.00 0.00 C ATOM 85 CD2 TRP A 176 87.180 8.619 7.584 1.00 0.00 C ATOM 86 NE1 TRP A 176 86.563 10.582 8.392 1.00 0.00 N ATOM 87 CE2 TRP A 176 87.380 9.503 8.670 1.00 0.00 C ATOM 88 CE3 TRP A 176 87.887 7.404 7.579 1.00 0.00 C ATOM 89 CZ2 TRP A 176 88.252 9.192 9.715 1.00 0.00 C ATOM 90 CZ3 TRP A 176 88.765 7.087 8.628 1.00 0.00 C ATOM 91 CH2 TRP A 176 88.947 7.980 9.693 1.00 0.00 C ATOM 0 H TRP A 176 84.917 6.713 4.052 1.00 0.00 H new ATOM 0 HA TRP A 176 84.158 7.695 6.598 1.00 0.00 H new ATOM 0 HB2 TRP A 176 86.372 7.895 5.002 1.00 0.00 H new ATOM 0 HB3 TRP A 176 85.656 9.449 4.624 1.00 0.00 H new ATOM 0 HD1 TRP A 176 85.179 11.116 6.772 1.00 0.00 H new ATOM 0 HE1 TRP A 176 86.477 11.403 8.990 1.00 0.00 H new ATOM 0 HE3 TRP A 176 87.754 6.710 6.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 176 88.388 9.883 10.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 176 89.303 6.150 8.614 1.00 0.00 H new ATOM 0 HH2 TRP A 176 89.624 7.731 10.497 1.00 0.00 H new ATOM 102 N LEU A 177 82.857 9.464 4.130 1.00 0.00 N ATOM 103 CA LEU A 177 81.829 10.531 3.909 1.00 0.00 C ATOM 104 C LEU A 177 80.521 10.145 4.590 1.00 0.00 C ATOM 105 O LEU A 177 79.865 10.961 5.196 1.00 0.00 O ATOM 106 CB LEU A 177 81.621 10.805 2.406 1.00 0.00 C ATOM 107 CG LEU A 177 80.844 9.648 1.713 1.00 0.00 C ATOM 108 CD1 LEU A 177 79.349 9.980 1.602 1.00 0.00 C ATOM 109 CD2 LEU A 177 81.391 9.411 0.298 1.00 0.00 C ATOM 0 H LEU A 177 83.222 9.024 3.285 1.00 0.00 H new ATOM 0 HA LEU A 177 82.190 11.457 4.356 1.00 0.00 H new ATOM 0 HB2 LEU A 177 81.073 11.739 2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 177 82.589 10.935 1.922 1.00 0.00 H new ATOM 0 HG LEU A 177 80.975 8.754 2.322 1.00 0.00 H new ATOM 0 HD11 LEU A 177 78.828 9.156 1.114 1.00 0.00 H new ATOM 0 HD12 LEU A 177 78.935 10.131 2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 177 79.221 10.889 1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 177 80.838 8.599 -0.175 1.00 0.00 H new ATOM 0 HD22 LEU A 177 81.277 10.320 -0.293 1.00 0.00 H new ATOM 0 HD23 LEU A 177 82.447 9.146 0.356 1.00 0.00 H new ATOM 121 N SER A 178 80.188 8.868 4.491 1.00 0.00 N ATOM 122 CA SER A 178 78.945 8.305 5.113 1.00 0.00 C ATOM 123 C SER A 178 78.953 8.509 6.632 1.00 0.00 C ATOM 124 O SER A 178 77.940 8.767 7.228 1.00 0.00 O ATOM 125 CB SER A 178 78.800 6.814 4.770 1.00 0.00 C ATOM 126 OG SER A 178 78.283 6.114 5.895 1.00 0.00 O ATOM 0 H SER A 178 80.748 8.179 3.989 1.00 0.00 H new ATOM 0 HA SER A 178 78.088 8.840 4.704 1.00 0.00 H new ATOM 0 HB2 SER A 178 78.135 6.690 3.915 1.00 0.00 H new ATOM 0 HB3 SER A 178 79.767 6.400 4.485 1.00 0.00 H new ATOM 0 HG SER A 178 78.190 5.164 5.674 1.00 0.00 H new ATOM 132 N LEU A 179 80.106 8.342 7.244 1.00 0.00 N ATOM 133 CA LEU A 179 80.241 8.486 8.726 1.00 0.00 C ATOM 134 C LEU A 179 79.836 9.892 9.210 1.00 0.00 C ATOM 135 O LEU A 179 79.277 10.037 10.278 1.00 0.00 O ATOM 136 CB LEU A 179 81.692 8.194 9.137 1.00 0.00 C ATOM 137 CG LEU A 179 81.888 8.411 10.647 1.00 0.00 C ATOM 138 CD1 LEU A 179 80.874 7.575 11.442 1.00 0.00 C ATOM 139 CD2 LEU A 179 83.311 7.989 11.028 1.00 0.00 C ATOM 0 H LEU A 179 80.975 8.107 6.764 1.00 0.00 H new ATOM 0 HA LEU A 179 79.565 7.771 9.194 1.00 0.00 H new ATOM 0 HB2 LEU A 179 81.948 7.167 8.877 1.00 0.00 H new ATOM 0 HB3 LEU A 179 82.369 8.842 8.581 1.00 0.00 H new ATOM 0 HG LEU A 179 81.733 9.464 10.883 1.00 0.00 H new ATOM 0 HD11 LEU A 179 81.025 7.739 12.509 1.00 0.00 H new ATOM 0 HD12 LEU A 179 79.862 7.874 11.168 1.00 0.00 H new ATOM 0 HD13 LEU A 179 81.015 6.519 11.214 1.00 0.00 H new ATOM 0 HD21 LEU A 179 83.461 8.139 12.097 1.00 0.00 H new ATOM 0 HD22 LEU A 179 83.456 6.936 10.785 1.00 0.00 H new ATOM 0 HD23 LEU A 179 84.030 8.591 10.473 1.00 0.00 H new ATOM 151 N LEU A 180 80.200 10.917 8.446 1.00 0.00 N ATOM 152 CA LEU A 180 79.946 12.343 8.845 1.00 0.00 C ATOM 153 C LEU A 180 78.458 12.685 9.063 1.00 0.00 C ATOM 154 O LEU A 180 78.148 13.445 9.950 1.00 0.00 O ATOM 155 CB LEU A 180 80.509 13.257 7.750 1.00 0.00 C ATOM 156 CG LEU A 180 80.623 14.705 8.239 1.00 0.00 C ATOM 157 CD1 LEU A 180 81.600 14.809 9.432 1.00 0.00 C ATOM 158 CD2 LEU A 180 81.121 15.576 7.073 1.00 0.00 C ATOM 0 H LEU A 180 80.671 10.813 7.547 1.00 0.00 H new ATOM 0 HA LEU A 180 80.437 12.494 9.806 1.00 0.00 H new ATOM 0 HB2 LEU A 180 81.490 12.897 7.441 1.00 0.00 H new ATOM 0 HB3 LEU A 180 79.864 13.217 6.872 1.00 0.00 H new ATOM 0 HG LEU A 180 79.646 15.050 8.577 1.00 0.00 H new ATOM 0 HD11 LEU A 180 81.664 15.846 9.761 1.00 0.00 H new ATOM 0 HD12 LEU A 180 81.239 14.190 10.253 1.00 0.00 H new ATOM 0 HD13 LEU A 180 82.587 14.465 9.125 1.00 0.00 H new ATOM 0 HD21 LEU A 180 81.208 16.611 7.403 1.00 0.00 H new ATOM 0 HD22 LEU A 180 82.096 15.218 6.742 1.00 0.00 H new ATOM 0 HD23 LEU A 180 80.413 15.517 6.247 1.00 0.00 H new ATOM 170 N LEU A 181 77.565 12.172 8.227 1.00 0.00 N ATOM 171 CA LEU A 181 76.080 12.458 8.349 1.00 0.00 C ATOM 172 C LEU A 181 75.432 12.004 9.687 1.00 0.00 C ATOM 173 O LEU A 181 74.519 12.641 10.168 1.00 0.00 O ATOM 174 CB LEU A 181 75.267 11.892 7.149 1.00 0.00 C ATOM 175 CG LEU A 181 75.856 10.571 6.614 1.00 0.00 C ATOM 176 CD1 LEU A 181 75.421 9.376 7.489 1.00 0.00 C ATOM 177 CD2 LEU A 181 75.374 10.355 5.172 1.00 0.00 C ATOM 0 H LEU A 181 77.807 11.556 7.451 1.00 0.00 H new ATOM 0 HA LEU A 181 76.029 13.547 8.337 1.00 0.00 H new ATOM 0 HB2 LEU A 181 74.234 11.728 7.458 1.00 0.00 H new ATOM 0 HB3 LEU A 181 75.247 12.629 6.347 1.00 0.00 H new ATOM 0 HG LEU A 181 76.944 10.636 6.642 1.00 0.00 H new ATOM 0 HD11 LEU A 181 75.850 8.457 7.089 1.00 0.00 H new ATOM 0 HD12 LEU A 181 75.771 9.526 8.510 1.00 0.00 H new ATOM 0 HD13 LEU A 181 74.334 9.300 7.486 1.00 0.00 H new ATOM 0 HD21 LEU A 181 75.786 9.423 4.786 1.00 0.00 H new ATOM 0 HD22 LEU A 181 74.285 10.304 5.156 1.00 0.00 H new ATOM 0 HD23 LEU A 181 75.708 11.185 4.549 1.00 0.00 H new ATOM 189 N LEU A 182 75.833 10.833 10.192 1.00 0.00 N ATOM 190 CA LEU A 182 75.173 10.205 11.419 1.00 0.00 C ATOM 191 C LEU A 182 75.217 11.057 12.714 1.00 0.00 C ATOM 192 O LEU A 182 74.242 11.081 13.433 1.00 0.00 O ATOM 193 CB LEU A 182 75.828 8.798 11.666 1.00 0.00 C ATOM 194 CG LEU A 182 75.923 8.424 13.165 1.00 0.00 C ATOM 195 CD1 LEU A 182 74.542 8.496 13.855 1.00 0.00 C ATOM 196 CD2 LEU A 182 76.498 7.002 13.277 1.00 0.00 C ATOM 0 H LEU A 182 76.597 10.281 9.802 1.00 0.00 H new ATOM 0 HA LEU A 182 74.110 10.126 11.190 1.00 0.00 H new ATOM 0 HB2 LEU A 182 75.247 8.037 11.145 1.00 0.00 H new ATOM 0 HB3 LEU A 182 76.828 8.789 11.232 1.00 0.00 H new ATOM 0 HG LEU A 182 76.575 9.138 13.669 1.00 0.00 H new ATOM 0 HD11 LEU A 182 74.646 8.227 14.906 1.00 0.00 H new ATOM 0 HD12 LEU A 182 74.149 9.510 13.777 1.00 0.00 H new ATOM 0 HD13 LEU A 182 73.856 7.802 13.369 1.00 0.00 H new ATOM 0 HD21 LEU A 182 76.572 6.721 14.328 1.00 0.00 H new ATOM 0 HD22 LEU A 182 75.841 6.302 12.760 1.00 0.00 H new ATOM 0 HD23 LEU A 182 77.489 6.973 12.823 1.00 0.00 H new ATOM 208 N PRO A 183 76.284 11.725 13.035 1.00 0.00 N ATOM 209 CA PRO A 183 76.363 12.564 14.275 1.00 0.00 C ATOM 210 C PRO A 183 75.662 13.953 14.271 1.00 0.00 C ATOM 211 O PRO A 183 75.395 14.446 15.342 1.00 0.00 O ATOM 212 CB PRO A 183 77.878 12.710 14.491 1.00 0.00 C ATOM 213 CG PRO A 183 78.469 12.625 13.120 1.00 0.00 C ATOM 214 CD PRO A 183 77.546 11.706 12.308 1.00 0.00 C ATOM 0 HA PRO A 183 75.806 12.070 15.071 1.00 0.00 H new ATOM 0 HB2 PRO A 183 78.120 13.660 14.968 1.00 0.00 H new ATOM 0 HB3 PRO A 183 78.263 11.922 15.137 1.00 0.00 H new ATOM 0 HG2 PRO A 183 78.534 13.612 12.663 1.00 0.00 H new ATOM 0 HG3 PRO A 183 79.482 12.224 13.158 1.00 0.00 H new ATOM 0 HD2 PRO A 183 77.422 12.069 11.288 1.00 0.00 H new ATOM 0 HD3 PRO A 183 77.950 10.696 12.240 1.00 0.00 H new ATOM 222 N ILE A 184 75.350 14.618 13.135 1.00 0.00 N ATOM 223 CA ILE A 184 74.676 15.951 13.280 1.00 0.00 C ATOM 224 C ILE A 184 73.230 15.832 13.784 1.00 0.00 C ATOM 225 O ILE A 184 72.773 16.686 14.513 1.00 0.00 O ATOM 226 CB ILE A 184 74.720 16.825 12.010 1.00 0.00 C ATOM 227 CG1 ILE A 184 76.102 16.775 11.357 1.00 0.00 C ATOM 228 CG2 ILE A 184 74.440 18.273 12.437 1.00 0.00 C ATOM 229 CD1 ILE A 184 76.371 15.397 10.732 1.00 0.00 C ATOM 0 H ILE A 184 75.529 14.300 12.182 1.00 0.00 H new ATOM 0 HA ILE A 184 75.270 16.462 14.038 1.00 0.00 H new ATOM 0 HB ILE A 184 73.984 16.460 11.294 1.00 0.00 H new ATOM 0 HG12 ILE A 184 76.173 17.546 10.589 1.00 0.00 H new ATOM 0 HG13 ILE A 184 76.867 16.995 12.101 1.00 0.00 H new ATOM 0 HG21 ILE A 184 74.463 18.922 11.561 1.00 0.00 H new ATOM 0 HG22 ILE A 184 73.457 18.331 12.905 1.00 0.00 H new ATOM 0 HG23 ILE A 184 75.200 18.596 13.148 1.00 0.00 H new ATOM 0 HD11 ILE A 184 77.361 15.392 10.275 1.00 0.00 H new ATOM 0 HD12 ILE A 184 76.324 14.631 11.506 1.00 0.00 H new ATOM 0 HD13 ILE A 184 75.619 15.190 9.971 1.00 0.00 H new ATOM 573 N GLY B 175 72.567 3.448 -0.981 1.00 0.00 N ATOM 574 CA GLY B 175 71.551 4.517 -1.162 1.00 0.00 C ATOM 575 C GLY B 175 71.151 5.140 0.185 1.00 0.00 C ATOM 576 O GLY B 175 70.923 6.330 0.269 1.00 0.00 O ATOM 0 HA2 GLY B 175 71.947 5.291 -1.820 1.00 0.00 H new ATOM 0 HA3 GLY B 175 70.668 4.104 -1.651 1.00 0.00 H new ATOM 580 N TRP B 176 71.016 4.301 1.223 1.00 0.00 N ATOM 581 CA TRP B 176 70.571 4.788 2.565 1.00 0.00 C ATOM 582 C TRP B 176 71.500 5.843 3.188 1.00 0.00 C ATOM 583 O TRP B 176 71.019 6.780 3.793 1.00 0.00 O ATOM 584 CB TRP B 176 70.440 3.581 3.521 1.00 0.00 C ATOM 585 CG TRP B 176 69.294 3.783 4.469 1.00 0.00 C ATOM 586 CD1 TRP B 176 69.406 3.948 5.807 1.00 0.00 C ATOM 587 CD2 TRP B 176 67.872 3.842 4.167 1.00 0.00 C ATOM 588 NE1 TRP B 176 68.139 4.104 6.344 1.00 0.00 N ATOM 589 CE2 TRP B 176 67.161 4.047 5.371 1.00 0.00 C ATOM 590 CE3 TRP B 176 67.137 3.739 2.972 1.00 0.00 C ATOM 591 CZ2 TRP B 176 65.769 4.145 5.391 1.00 0.00 C ATOM 592 CZ3 TRP B 176 65.736 3.838 2.987 1.00 0.00 C ATOM 593 CH2 TRP B 176 65.054 4.040 4.195 1.00 0.00 C ATOM 0 H TRP B 176 71.201 3.299 1.176 1.00 0.00 H new ATOM 0 HA TRP B 176 69.611 5.282 2.416 1.00 0.00 H new ATOM 0 HB2 TRP B 176 70.287 2.668 2.945 1.00 0.00 H new ATOM 0 HB3 TRP B 176 71.365 3.452 4.082 1.00 0.00 H new ATOM 0 HD1 TRP B 176 70.331 3.957 6.365 1.00 0.00 H new ATOM 0 HE1 TRP B 176 67.951 4.244 7.337 1.00 0.00 H new ATOM 0 HE3 TRP B 176 67.654 3.583 2.037 1.00 0.00 H new ATOM 0 HZ2 TRP B 176 65.248 4.301 6.324 1.00 0.00 H new ATOM 0 HZ3 TRP B 176 65.182 3.758 2.064 1.00 0.00 H new ATOM 0 HH2 TRP B 176 63.977 4.114 4.201 1.00 0.00 H new ATOM 604 N LEU B 177 72.821 5.692 3.064 1.00 0.00 N ATOM 605 CA LEU B 177 73.732 6.705 3.686 1.00 0.00 C ATOM 606 C LEU B 177 73.463 8.084 3.097 1.00 0.00 C ATOM 607 O LEU B 177 73.427 9.064 3.799 1.00 0.00 O ATOM 608 CB LEU B 177 75.213 6.315 3.500 1.00 0.00 C ATOM 609 CG LEU B 177 75.643 6.441 2.010 1.00 0.00 C ATOM 610 CD1 LEU B 177 76.339 7.792 1.756 1.00 0.00 C ATOM 611 CD2 LEU B 177 76.607 5.302 1.620 1.00 0.00 C ATOM 0 H LEU B 177 73.283 4.928 2.570 1.00 0.00 H new ATOM 0 HA LEU B 177 73.529 6.733 4.757 1.00 0.00 H new ATOM 0 HB2 LEU B 177 75.841 6.956 4.118 1.00 0.00 H new ATOM 0 HB3 LEU B 177 75.368 5.291 3.841 1.00 0.00 H new ATOM 0 HG LEU B 177 74.741 6.376 1.402 1.00 0.00 H new ATOM 0 HD11 LEU B 177 76.631 7.859 0.708 1.00 0.00 H new ATOM 0 HD12 LEU B 177 75.653 8.605 1.994 1.00 0.00 H new ATOM 0 HD13 LEU B 177 77.225 7.869 2.386 1.00 0.00 H new ATOM 0 HD21 LEU B 177 76.894 5.411 0.574 1.00 0.00 H new ATOM 0 HD22 LEU B 177 77.497 5.348 2.247 1.00 0.00 H new ATOM 0 HD23 LEU B 177 76.112 4.341 1.762 1.00 0.00 H new ATOM 623 N SER B 178 73.237 8.123 1.799 1.00 0.00 N ATOM 624 CA SER B 178 72.933 9.408 1.101 1.00 0.00 C ATOM 625 C SER B 178 71.670 10.044 1.681 1.00 0.00 C ATOM 626 O SER B 178 71.576 11.233 1.812 1.00 0.00 O ATOM 627 CB SER B 178 72.788 9.191 -0.405 1.00 0.00 C ATOM 628 OG SER B 178 71.594 8.468 -0.669 1.00 0.00 O ATOM 0 H SER B 178 73.252 7.304 1.191 1.00 0.00 H new ATOM 0 HA SER B 178 73.768 10.090 1.262 1.00 0.00 H new ATOM 0 HB2 SER B 178 72.765 10.151 -0.921 1.00 0.00 H new ATOM 0 HB3 SER B 178 73.649 8.644 -0.788 1.00 0.00 H new ATOM 0 HG SER B 178 71.692 7.547 -0.350 1.00 0.00 H new ATOM 634 N LEU B 179 70.686 9.224 1.988 1.00 0.00 N ATOM 635 CA LEU B 179 69.391 9.720 2.546 1.00 0.00 C ATOM 636 C LEU B 179 69.566 10.477 3.880 1.00 0.00 C ATOM 637 O LEU B 179 68.851 11.425 4.142 1.00 0.00 O ATOM 638 CB LEU B 179 68.443 8.533 2.758 1.00 0.00 C ATOM 639 CG LEU B 179 67.014 9.029 3.048 1.00 0.00 C ATOM 640 CD1 LEU B 179 66.339 9.533 1.759 1.00 0.00 C ATOM 641 CD2 LEU B 179 66.194 7.876 3.636 1.00 0.00 C ATOM 0 H LEU B 179 70.733 8.212 1.871 1.00 0.00 H new ATOM 0 HA LEU B 179 68.977 10.425 1.825 1.00 0.00 H new ATOM 0 HB2 LEU B 179 68.441 7.899 1.872 1.00 0.00 H new ATOM 0 HB3 LEU B 179 68.797 7.921 3.587 1.00 0.00 H new ATOM 0 HG LEU B 179 67.065 9.855 3.757 1.00 0.00 H new ATOM 0 HD11 LEU B 179 65.331 9.878 1.987 1.00 0.00 H new ATOM 0 HD12 LEU B 179 66.919 10.357 1.343 1.00 0.00 H new ATOM 0 HD13 LEU B 179 66.289 8.721 1.033 1.00 0.00 H new ATOM 0 HD21 LEU B 179 65.181 8.219 3.844 1.00 0.00 H new ATOM 0 HD22 LEU B 179 66.159 7.053 2.922 1.00 0.00 H new ATOM 0 HD23 LEU B 179 66.658 7.534 4.561 1.00 0.00 H new ATOM 653 N LEU B 180 70.454 9.991 4.748 1.00 0.00 N ATOM 654 CA LEU B 180 70.632 10.590 6.121 1.00 0.00 C ATOM 655 C LEU B 180 71.042 12.080 6.123 1.00 0.00 C ATOM 656 O LEU B 180 70.575 12.824 6.961 1.00 0.00 O ATOM 657 CB LEU B 180 71.710 9.770 6.873 1.00 0.00 C ATOM 658 CG LEU B 180 71.479 9.776 8.411 1.00 0.00 C ATOM 659 CD1 LEU B 180 71.980 8.458 9.045 1.00 0.00 C ATOM 660 CD2 LEU B 180 72.193 10.979 9.061 1.00 0.00 C ATOM 0 H LEU B 180 71.064 9.197 4.553 1.00 0.00 H new ATOM 0 HA LEU B 180 69.659 10.546 6.610 1.00 0.00 H new ATOM 0 HB2 LEU B 180 71.703 8.742 6.509 1.00 0.00 H new ATOM 0 HB3 LEU B 180 72.696 10.179 6.653 1.00 0.00 H new ATOM 0 HG LEU B 180 70.408 9.864 8.591 1.00 0.00 H new ATOM 0 HD11 LEU B 180 71.809 8.484 10.121 1.00 0.00 H new ATOM 0 HD12 LEU B 180 71.439 7.617 8.611 1.00 0.00 H new ATOM 0 HD13 LEU B 180 73.046 8.343 8.850 1.00 0.00 H new ATOM 0 HD21 LEU B 180 72.020 10.967 10.137 1.00 0.00 H new ATOM 0 HD22 LEU B 180 73.263 10.916 8.865 1.00 0.00 H new ATOM 0 HD23 LEU B 180 71.801 11.905 8.641 1.00 0.00 H new ATOM 672 N LEU B 181 71.926 12.501 5.229 1.00 0.00 N ATOM 673 CA LEU B 181 72.371 13.947 5.184 1.00 0.00 C ATOM 674 C LEU B 181 71.227 14.960 4.913 1.00 0.00 C ATOM 675 O LEU B 181 71.236 16.050 5.446 1.00 0.00 O ATOM 676 CB LEU B 181 73.521 14.169 4.168 1.00 0.00 C ATOM 677 CG LEU B 181 73.316 13.333 2.876 1.00 0.00 C ATOM 678 CD1 LEU B 181 72.492 14.120 1.821 1.00 0.00 C ATOM 679 CD2 LEU B 181 74.687 12.931 2.289 1.00 0.00 C ATOM 0 H LEU B 181 72.359 11.902 4.526 1.00 0.00 H new ATOM 0 HA LEU B 181 72.735 14.148 6.191 1.00 0.00 H new ATOM 0 HB2 LEU B 181 73.580 15.227 3.911 1.00 0.00 H new ATOM 0 HB3 LEU B 181 74.471 13.899 4.629 1.00 0.00 H new ATOM 0 HG LEU B 181 72.756 12.435 3.136 1.00 0.00 H new ATOM 0 HD11 LEU B 181 72.365 13.508 0.928 1.00 0.00 H new ATOM 0 HD12 LEU B 181 71.514 14.367 2.234 1.00 0.00 H new ATOM 0 HD13 LEU B 181 73.018 15.039 1.560 1.00 0.00 H new ATOM 0 HD21 LEU B 181 74.537 12.345 1.383 1.00 0.00 H new ATOM 0 HD22 LEU B 181 75.258 13.828 2.050 1.00 0.00 H new ATOM 0 HD23 LEU B 181 75.235 12.336 3.019 1.00 0.00 H new ATOM 691 N LEU B 182 70.302 14.610 4.009 1.00 0.00 N ATOM 692 CA LEU B 182 69.192 15.569 3.590 1.00 0.00 C ATOM 693 C LEU B 182 68.261 16.043 4.744 1.00 0.00 C ATOM 694 O LEU B 182 67.911 17.203 4.776 1.00 0.00 O ATOM 695 CB LEU B 182 68.355 14.900 2.441 1.00 0.00 C ATOM 696 CG LEU B 182 66.845 15.234 2.514 1.00 0.00 C ATOM 697 CD1 LEU B 182 66.606 16.763 2.513 1.00 0.00 C ATOM 698 CD2 LEU B 182 66.149 14.584 1.309 1.00 0.00 C ATOM 0 H LEU B 182 70.272 13.701 3.546 1.00 0.00 H new ATOM 0 HA LEU B 182 69.682 16.479 3.244 1.00 0.00 H new ATOM 0 HB2 LEU B 182 68.747 15.226 1.478 1.00 0.00 H new ATOM 0 HB3 LEU B 182 68.484 13.819 2.488 1.00 0.00 H new ATOM 0 HG LEU B 182 66.434 14.844 3.445 1.00 0.00 H new ATOM 0 HD11 LEU B 182 65.536 16.964 2.565 1.00 0.00 H new ATOM 0 HD12 LEU B 182 67.101 17.209 3.375 1.00 0.00 H new ATOM 0 HD13 LEU B 182 67.012 17.194 1.598 1.00 0.00 H new ATOM 0 HD21 LEU B 182 65.083 14.807 1.341 1.00 0.00 H new ATOM 0 HD22 LEU B 182 66.575 14.979 0.386 1.00 0.00 H new ATOM 0 HD23 LEU B 182 66.295 13.504 1.343 1.00 0.00 H new ATOM 710 N PRO B 183 67.865 15.207 5.669 1.00 0.00 N ATOM 711 CA PRO B 183 66.986 15.617 6.828 1.00 0.00 C ATOM 712 C PRO B 183 67.604 16.506 7.953 1.00 0.00 C ATOM 713 O PRO B 183 66.846 17.188 8.616 1.00 0.00 O ATOM 714 CB PRO B 183 66.533 14.264 7.407 1.00 0.00 C ATOM 715 CG PRO B 183 67.635 13.325 7.058 1.00 0.00 C ATOM 716 CD PRO B 183 68.115 13.767 5.680 1.00 0.00 C ATOM 0 HA PRO B 183 66.206 16.279 6.452 1.00 0.00 H new ATOM 0 HB2 PRO B 183 66.387 14.322 8.486 1.00 0.00 H new ATOM 0 HB3 PRO B 183 65.586 13.943 6.974 1.00 0.00 H new ATOM 0 HG2 PRO B 183 68.441 13.374 7.790 1.00 0.00 H new ATOM 0 HG3 PRO B 183 67.283 12.294 7.040 1.00 0.00 H new ATOM 0 HD2 PRO B 183 69.172 13.543 5.534 1.00 0.00 H new ATOM 0 HD3 PRO B 183 67.569 13.260 4.885 1.00 0.00 H new ATOM 724 N ILE B 184 68.932 16.520 8.220 1.00 0.00 N ATOM 725 CA ILE B 184 69.418 17.389 9.343 1.00 0.00 C ATOM 726 C ILE B 184 69.306 18.883 8.989 1.00 0.00 C ATOM 727 O ILE B 184 68.946 19.681 9.831 1.00 0.00 O ATOM 728 CB ILE B 184 70.849 17.008 9.823 1.00 0.00 C ATOM 729 CG1 ILE B 184 70.874 15.522 10.252 1.00 0.00 C ATOM 730 CG2 ILE B 184 71.248 17.882 11.046 1.00 0.00 C ATOM 731 CD1 ILE B 184 71.184 14.592 9.064 1.00 0.00 C ATOM 0 H ILE B 184 69.646 15.988 7.723 1.00 0.00 H new ATOM 0 HA ILE B 184 68.757 17.204 10.190 1.00 0.00 H new ATOM 0 HB ILE B 184 71.549 17.175 9.005 1.00 0.00 H new ATOM 0 HG12 ILE B 184 71.624 15.380 11.030 1.00 0.00 H new ATOM 0 HG13 ILE B 184 69.911 15.252 10.684 1.00 0.00 H new ATOM 0 HG21 ILE B 184 72.250 17.610 11.376 1.00 0.00 H new ATOM 0 HG22 ILE B 184 71.233 18.934 10.762 1.00 0.00 H new ATOM 0 HG23 ILE B 184 70.541 17.716 11.858 1.00 0.00 H new ATOM 0 HD11 ILE B 184 71.193 13.557 9.405 1.00 0.00 H new ATOM 0 HD12 ILE B 184 70.420 14.715 8.297 1.00 0.00 H new ATOM 0 HD13 ILE B 184 72.159 14.845 8.648 1.00 0.00 H new ATOM 743 N PRO B 185 69.581 19.271 7.771 1.00 0.00 N ATOM 744 CA PRO B 185 69.478 20.698 7.352 1.00 0.00 C ATOM 745 C PRO B 185 68.166 21.329 7.824 1.00 0.00 C ATOM 746 O PRO B 185 68.039 22.533 7.890 1.00 0.00 O ATOM 747 CB PRO B 185 69.550 20.633 5.822 1.00 0.00 C ATOM 748 CG PRO B 185 70.345 19.402 5.536 1.00 0.00 C ATOM 749 CD PRO B 185 70.008 18.415 6.660 1.00 0.00 C ATOM 0 HA PRO B 185 70.262 21.319 7.784 1.00 0.00 H new ATOM 0 HB2 PRO B 185 68.555 20.574 5.380 1.00 0.00 H new ATOM 0 HB3 PRO B 185 70.030 21.520 5.409 1.00 0.00 H new ATOM 0 HG2 PRO B 185 70.087 18.988 4.562 1.00 0.00 H new ATOM 0 HG3 PRO B 185 71.412 19.622 5.516 1.00 0.00 H new ATOM 0 HD2 PRO B 185 69.218 17.726 6.362 1.00 0.00 H new ATOM 0 HD3 PRO B 185 70.873 17.810 6.932 1.00 0.00 H new ATOM 1075 N GLY C 175 79.666 11.762 -5.442 1.00 0.00 N ATOM 1076 CA GLY C 175 80.334 12.938 -4.826 1.00 0.00 C ATOM 1077 C GLY C 175 79.329 13.968 -4.278 1.00 0.00 C ATOM 1078 O GLY C 175 79.568 14.559 -3.243 1.00 0.00 O ATOM 0 HA2 GLY C 175 80.982 12.601 -4.017 1.00 0.00 H new ATOM 0 HA3 GLY C 175 80.973 13.418 -5.567 1.00 0.00 H new ATOM 1082 N TRP C 176 78.226 14.219 -5.008 1.00 0.00 N ATOM 1083 CA TRP C 176 77.236 15.257 -4.566 1.00 0.00 C ATOM 1084 C TRP C 176 76.606 14.973 -3.196 1.00 0.00 C ATOM 1085 O TRP C 176 76.442 15.882 -2.405 1.00 0.00 O ATOM 1086 CB TRP C 176 76.124 15.373 -5.619 1.00 0.00 C ATOM 1087 CG TRP C 176 75.461 16.714 -5.524 1.00 0.00 C ATOM 1088 CD1 TRP C 176 74.675 17.124 -4.504 1.00 0.00 C ATOM 1089 CD2 TRP C 176 75.515 17.820 -6.470 1.00 0.00 C ATOM 1090 NE1 TRP C 176 74.244 18.414 -4.762 1.00 0.00 N ATOM 1091 CE2 TRP C 176 74.736 18.886 -5.963 1.00 0.00 C ATOM 1092 CE3 TRP C 176 76.160 18.001 -7.707 1.00 0.00 C ATOM 1093 CZ2 TRP C 176 74.599 20.088 -6.660 1.00 0.00 C ATOM 1094 CZ3 TRP C 176 76.026 19.208 -8.410 1.00 0.00 C ATOM 1095 CH2 TRP C 176 75.247 20.250 -7.887 1.00 0.00 C ATOM 0 H TRP C 176 77.990 13.744 -5.879 1.00 0.00 H new ATOM 0 HA TRP C 176 77.790 16.190 -4.464 1.00 0.00 H new ATOM 0 HB2 TRP C 176 76.541 15.235 -6.616 1.00 0.00 H new ATOM 0 HB3 TRP C 176 75.388 14.583 -5.470 1.00 0.00 H new ATOM 0 HD1 TRP C 176 74.424 16.541 -3.630 1.00 0.00 H new ATOM 0 HE1 TRP C 176 73.638 18.950 -4.141 1.00 0.00 H new ATOM 0 HE3 TRP C 176 76.763 17.205 -8.119 1.00 0.00 H new ATOM 0 HZ2 TRP C 176 73.996 20.887 -6.254 1.00 0.00 H new ATOM 0 HZ3 TRP C 176 76.526 19.335 -9.359 1.00 0.00 H new ATOM 0 HH2 TRP C 176 75.148 21.177 -8.432 1.00 0.00 H new ATOM 1106 N LEU C 177 76.263 13.717 -2.911 1.00 0.00 N ATOM 1107 CA LEU C 177 75.656 13.398 -1.577 1.00 0.00 C ATOM 1108 C LEU C 177 76.641 13.768 -0.472 1.00 0.00 C ATOM 1109 O LEU C 177 76.278 14.300 0.551 1.00 0.00 O ATOM 1110 CB LEU C 177 75.199 11.902 -1.432 1.00 0.00 C ATOM 1111 CG LEU C 177 75.815 10.958 -2.513 1.00 0.00 C ATOM 1112 CD1 LEU C 177 76.546 9.780 -1.846 1.00 0.00 C ATOM 1113 CD2 LEU C 177 74.708 10.395 -3.420 1.00 0.00 C ATOM 0 H LEU C 177 76.379 12.922 -3.539 1.00 0.00 H new ATOM 0 HA LEU C 177 74.747 13.993 -1.490 1.00 0.00 H new ATOM 0 HB2 LEU C 177 75.477 11.539 -0.442 1.00 0.00 H new ATOM 0 HB3 LEU C 177 74.112 11.854 -1.495 1.00 0.00 H new ATOM 0 HG LEU C 177 76.521 11.540 -3.105 1.00 0.00 H new ATOM 0 HD11 LEU C 177 76.969 9.132 -2.614 1.00 0.00 H new ATOM 0 HD12 LEU C 177 77.346 10.161 -1.211 1.00 0.00 H new ATOM 0 HD13 LEU C 177 75.841 9.211 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU C 177 75.150 9.739 -4.169 1.00 0.00 H new ATOM 0 HD22 LEU C 177 73.996 9.830 -2.818 1.00 0.00 H new ATOM 0 HD23 LEU C 177 74.192 11.216 -3.917 1.00 0.00 H new ATOM 1125 N SER C 178 77.896 13.479 -0.731 1.00 0.00 N ATOM 1126 CA SER C 178 79.000 13.766 0.238 1.00 0.00 C ATOM 1127 C SER C 178 79.088 15.259 0.565 1.00 0.00 C ATOM 1128 O SER C 178 79.350 15.634 1.683 1.00 0.00 O ATOM 1129 CB SER C 178 80.333 13.264 -0.315 1.00 0.00 C ATOM 1130 OG SER C 178 80.833 14.197 -1.263 1.00 0.00 O ATOM 0 H SER C 178 78.207 13.044 -1.599 1.00 0.00 H new ATOM 0 HA SER C 178 78.776 13.237 1.164 1.00 0.00 H new ATOM 0 HB2 SER C 178 81.050 13.134 0.496 1.00 0.00 H new ATOM 0 HB3 SER C 178 80.201 12.289 -0.783 1.00 0.00 H new ATOM 0 HG SER C 178 80.460 13.997 -2.147 1.00 0.00 H new ATOM 1136 N LEU C 179 78.898 16.113 -0.417 1.00 0.00 N ATOM 1137 CA LEU C 179 78.992 17.577 -0.156 1.00 0.00 C ATOM 1138 C LEU C 179 77.957 18.015 0.902 1.00 0.00 C ATOM 1139 O LEU C 179 78.245 18.863 1.724 1.00 0.00 O ATOM 1140 CB LEU C 179 78.767 18.360 -1.473 1.00 0.00 C ATOM 1141 CG LEU C 179 80.107 18.659 -2.170 1.00 0.00 C ATOM 1142 CD1 LEU C 179 80.746 17.359 -2.666 1.00 0.00 C ATOM 1143 CD2 LEU C 179 79.855 19.585 -3.362 1.00 0.00 C ATOM 0 H LEU C 179 78.683 15.856 -1.380 1.00 0.00 H new ATOM 0 HA LEU C 179 79.988 17.796 0.229 1.00 0.00 H new ATOM 0 HB2 LEU C 179 78.127 17.782 -2.140 1.00 0.00 H new ATOM 0 HB3 LEU C 179 78.246 19.294 -1.261 1.00 0.00 H new ATOM 0 HG LEU C 179 80.781 19.137 -1.460 1.00 0.00 H new ATOM 0 HD11 LEU C 179 81.693 17.583 -3.157 1.00 0.00 H new ATOM 0 HD12 LEU C 179 80.924 16.695 -1.820 1.00 0.00 H new ATOM 0 HD13 LEU C 179 80.076 16.872 -3.375 1.00 0.00 H new ATOM 0 HD21 LEU C 179 80.800 19.801 -3.861 1.00 0.00 H new ATOM 0 HD22 LEU C 179 79.177 19.099 -4.064 1.00 0.00 H new ATOM 0 HD23 LEU C 179 79.408 20.516 -3.012 1.00 0.00 H new ATOM 1155 N LEU C 180 76.748 17.457 0.841 1.00 0.00 N ATOM 1156 CA LEU C 180 75.656 17.851 1.800 1.00 0.00 C ATOM 1157 C LEU C 180 76.012 17.596 3.281 1.00 0.00 C ATOM 1158 O LEU C 180 75.647 18.384 4.127 1.00 0.00 O ATOM 1159 CB LEU C 180 74.354 17.087 1.442 1.00 0.00 C ATOM 1160 CG LEU C 180 73.085 17.925 1.769 1.00 0.00 C ATOM 1161 CD1 LEU C 180 71.939 17.550 0.813 1.00 0.00 C ATOM 1162 CD2 LEU C 180 72.643 17.704 3.234 1.00 0.00 C ATOM 0 H LEU C 180 76.480 16.744 0.162 1.00 0.00 H new ATOM 0 HA LEU C 180 75.520 18.927 1.693 1.00 0.00 H new ATOM 0 HB2 LEU C 180 74.360 16.835 0.382 1.00 0.00 H new ATOM 0 HB3 LEU C 180 74.321 16.147 1.993 1.00 0.00 H new ATOM 0 HG LEU C 180 73.330 18.979 1.637 1.00 0.00 H new ATOM 0 HD11 LEU C 180 71.057 18.143 1.052 1.00 0.00 H new ATOM 0 HD12 LEU C 180 72.243 17.749 -0.215 1.00 0.00 H new ATOM 0 HD13 LEU C 180 71.705 16.491 0.923 1.00 0.00 H new ATOM 0 HD21 LEU C 180 71.754 18.300 3.440 1.00 0.00 H new ATOM 0 HD22 LEU C 180 72.417 16.649 3.391 1.00 0.00 H new ATOM 0 HD23 LEU C 180 73.446 18.007 3.906 1.00 0.00 H new ATOM 1174 N LEU C 181 76.669 16.473 3.589 1.00 0.00 N ATOM 1175 CA LEU C 181 77.029 16.135 5.021 1.00 0.00 C ATOM 1176 C LEU C 181 77.959 17.164 5.719 1.00 0.00 C ATOM 1177 O LEU C 181 77.813 17.410 6.895 1.00 0.00 O ATOM 1178 CB LEU C 181 77.589 14.688 5.181 1.00 0.00 C ATOM 1179 CG LEU C 181 78.323 14.170 3.916 1.00 0.00 C ATOM 1180 CD1 LEU C 181 79.814 14.542 3.980 1.00 0.00 C ATOM 1181 CD2 LEU C 181 78.170 12.632 3.808 1.00 0.00 C ATOM 0 H LEU C 181 76.968 15.780 2.903 1.00 0.00 H new ATOM 0 HA LEU C 181 76.074 16.190 5.543 1.00 0.00 H new ATOM 0 HB2 LEU C 181 78.276 14.663 6.027 1.00 0.00 H new ATOM 0 HB3 LEU C 181 76.767 14.012 5.418 1.00 0.00 H new ATOM 0 HG LEU C 181 77.879 14.636 3.036 1.00 0.00 H new ATOM 0 HD11 LEU C 181 80.320 14.174 3.087 1.00 0.00 H new ATOM 0 HD12 LEU C 181 79.917 15.626 4.034 1.00 0.00 H new ATOM 0 HD13 LEU C 181 80.264 14.091 4.864 1.00 0.00 H new ATOM 0 HD21 LEU C 181 78.688 12.276 2.917 1.00 0.00 H new ATOM 0 HD22 LEU C 181 78.601 12.161 4.691 1.00 0.00 H new ATOM 0 HD23 LEU C 181 77.113 12.375 3.739 1.00 0.00 H new ATOM 1193 N LEU C 182 78.953 17.690 5.004 1.00 0.00 N ATOM 1194 CA LEU C 182 79.973 18.646 5.626 1.00 0.00 C ATOM 1195 C LEU C 182 79.383 19.955 6.232 1.00 0.00 C ATOM 1196 O LEU C 182 79.828 20.363 7.284 1.00 0.00 O ATOM 1197 CB LEU C 182 81.060 18.985 4.543 1.00 0.00 C ATOM 1198 CG LEU C 182 81.600 20.431 4.654 1.00 0.00 C ATOM 1199 CD1 LEU C 182 82.148 20.723 6.071 1.00 0.00 C ATOM 1200 CD2 LEU C 182 82.708 20.617 3.605 1.00 0.00 C ATOM 0 H LEU C 182 79.104 17.499 4.013 1.00 0.00 H new ATOM 0 HA LEU C 182 80.401 18.124 6.482 1.00 0.00 H new ATOM 0 HB2 LEU C 182 81.890 18.285 4.639 1.00 0.00 H new ATOM 0 HB3 LEU C 182 80.633 18.838 3.551 1.00 0.00 H new ATOM 0 HG LEU C 182 80.785 21.132 4.473 1.00 0.00 H new ATOM 0 HD11 LEU C 182 82.519 21.747 6.114 1.00 0.00 H new ATOM 0 HD12 LEU C 182 81.351 20.595 6.803 1.00 0.00 H new ATOM 0 HD13 LEU C 182 82.961 20.033 6.296 1.00 0.00 H new ATOM 0 HD21 LEU C 182 83.102 21.631 3.668 1.00 0.00 H new ATOM 0 HD22 LEU C 182 83.511 19.904 3.793 1.00 0.00 H new ATOM 0 HD23 LEU C 182 82.298 20.448 2.609 1.00 0.00 H new ATOM 1212 N PRO C 183 78.427 20.605 5.627 1.00 0.00 N ATOM 1213 CA PRO C 183 77.812 21.866 6.188 1.00 0.00 C ATOM 1214 C PRO C 183 76.878 21.754 7.435 1.00 0.00 C ATOM 1215 O PRO C 183 76.808 22.709 8.182 1.00 0.00 O ATOM 1216 CB PRO C 183 77.031 22.423 4.983 1.00 0.00 C ATOM 1217 CG PRO C 183 76.682 21.218 4.178 1.00 0.00 C ATOM 1218 CD PRO C 183 77.880 20.284 4.313 1.00 0.00 C ATOM 0 HA PRO C 183 78.610 22.488 6.594 1.00 0.00 H new ATOM 0 HB2 PRO C 183 76.138 22.960 5.302 1.00 0.00 H new ATOM 0 HB3 PRO C 183 77.635 23.124 4.407 1.00 0.00 H new ATOM 0 HG2 PRO C 183 75.772 20.747 4.549 1.00 0.00 H new ATOM 0 HG3 PRO C 183 76.503 21.480 3.135 1.00 0.00 H new ATOM 0 HD2 PRO C 183 77.581 19.238 4.249 1.00 0.00 H new ATOM 0 HD3 PRO C 183 78.611 20.455 3.523 1.00 0.00 H new ATOM 1226 N ILE C 184 76.123 20.654 7.666 1.00 0.00 N ATOM 1227 CA ILE C 184 75.204 20.647 8.857 1.00 0.00 C ATOM 1228 C ILE C 184 75.951 20.575 10.203 1.00 0.00 C ATOM 1229 O ILE C 184 75.514 21.163 11.169 1.00 0.00 O ATOM 1230 CB ILE C 184 74.097 19.551 8.753 1.00 0.00 C ATOM 1231 CG1 ILE C 184 73.856 19.147 7.278 1.00 0.00 C ATOM 1232 CG2 ILE C 184 72.774 20.105 9.329 1.00 0.00 C ATOM 1233 CD1 ILE C 184 74.767 17.987 6.847 1.00 0.00 C ATOM 0 H ILE C 184 76.118 19.809 7.095 1.00 0.00 H new ATOM 0 HA ILE C 184 74.702 21.614 8.837 1.00 0.00 H new ATOM 0 HB ILE C 184 74.428 18.677 9.314 1.00 0.00 H new ATOM 0 HG12 ILE C 184 72.813 18.858 7.146 1.00 0.00 H new ATOM 0 HG13 ILE C 184 74.033 20.007 6.632 1.00 0.00 H new ATOM 0 HG21 ILE C 184 71.999 19.342 9.258 1.00 0.00 H new ATOM 0 HG22 ILE C 184 72.919 20.379 10.374 1.00 0.00 H new ATOM 0 HG23 ILE C 184 72.470 20.985 8.762 1.00 0.00 H new ATOM 0 HD11 ILE C 184 74.566 17.734 5.806 1.00 0.00 H new ATOM 0 HD12 ILE C 184 75.810 18.285 6.954 1.00 0.00 H new ATOM 0 HD13 ILE C 184 74.572 17.118 7.475 1.00 0.00 H new