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 -82:sc= 0.502 USER MOD Single : B 178 SER OG : rot -87:sc= 1.04 USER MOD Single : C 178 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N LEU A 174 85.360 6.414 0.281 1.00 0.00 N ATOM 53 CA LEU A 174 83.880 6.520 0.139 1.00 0.00 C ATOM 54 C LEU A 174 83.191 6.230 1.464 1.00 0.00 C ATOM 55 O LEU A 174 82.229 6.870 1.813 1.00 0.00 O ATOM 56 CB LEU A 174 83.382 5.533 -0.920 1.00 0.00 C ATOM 57 CG LEU A 174 83.994 5.865 -2.288 1.00 0.00 C ATOM 58 CD1 LEU A 174 83.641 4.751 -3.279 1.00 0.00 C ATOM 59 CD2 LEU A 174 83.449 7.211 -2.807 1.00 0.00 C ATOM 0 HA LEU A 174 83.639 7.537 -0.169 1.00 0.00 H new ATOM 0 HB2 LEU A 174 83.648 4.516 -0.632 1.00 0.00 H new ATOM 0 HB3 LEU A 174 82.294 5.573 -0.981 1.00 0.00 H new ATOM 0 HG LEU A 174 85.076 5.943 -2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 174 84.073 4.980 -4.253 1.00 0.00 H new ATOM 0 HD12 LEU A 174 84.041 3.803 -2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 174 82.557 4.676 -3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 174 83.892 7.433 -3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 174 82.365 7.150 -2.908 1.00 0.00 H new ATOM 0 HD23 LEU A 174 83.704 8.003 -2.102 1.00 0.00 H new ATOM 71 N GLY A 175 83.695 5.248 2.187 1.00 0.00 N ATOM 72 CA GLY A 175 83.095 4.877 3.497 1.00 0.00 C ATOM 73 C GLY A 175 83.125 6.046 4.493 1.00 0.00 C ATOM 74 O GLY A 175 82.195 6.222 5.255 1.00 0.00 O ATOM 0 H GLY A 175 84.503 4.689 1.914 1.00 0.00 H new ATOM 0 HA2 GLY A 175 82.065 4.555 3.346 1.00 0.00 H new ATOM 0 HA3 GLY A 175 83.636 4.029 3.917 1.00 0.00 H new ATOM 78 N TRP A 176 84.224 6.811 4.513 1.00 0.00 N ATOM 79 CA TRP A 176 84.361 7.935 5.490 1.00 0.00 C ATOM 80 C TRP A 176 83.268 9.007 5.352 1.00 0.00 C ATOM 81 O TRP A 176 82.782 9.499 6.351 1.00 0.00 O ATOM 82 CB TRP A 176 85.741 8.582 5.303 1.00 0.00 C ATOM 83 CG TRP A 176 85.862 9.814 6.148 1.00 0.00 C ATOM 84 CD1 TRP A 176 85.944 11.074 5.664 1.00 0.00 C ATOM 85 CD2 TRP A 176 85.917 9.926 7.600 1.00 0.00 C ATOM 86 NE1 TRP A 176 86.046 11.955 6.726 1.00 0.00 N ATOM 87 CE2 TRP A 176 86.034 11.296 7.939 1.00 0.00 C ATOM 88 CE3 TRP A 176 85.876 8.986 8.645 1.00 0.00 C ATOM 89 CZ2 TRP A 176 86.109 11.717 9.267 1.00 0.00 C ATOM 90 CZ3 TRP A 176 85.953 9.407 9.984 1.00 0.00 C ATOM 91 CH2 TRP A 176 86.068 10.770 10.293 1.00 0.00 C ATOM 0 H TRP A 176 85.020 6.690 3.887 1.00 0.00 H new ATOM 0 HA TRP A 176 84.250 7.511 6.488 1.00 0.00 H new ATOM 0 HB2 TRP A 176 86.522 7.871 5.572 1.00 0.00 H new ATOM 0 HB3 TRP A 176 85.890 8.837 4.254 1.00 0.00 H new ATOM 0 HD1 TRP A 176 85.932 11.348 4.619 1.00 0.00 H new ATOM 0 HE1 TRP A 176 86.121 12.967 6.625 1.00 0.00 H new ATOM 0 HE3 TRP A 176 85.785 7.934 8.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 176 86.198 12.768 9.500 1.00 0.00 H new ATOM 0 HZ3 TRP A 176 85.923 8.677 10.779 1.00 0.00 H new ATOM 0 HH2 TRP A 176 86.125 11.087 11.324 1.00 0.00 H new ATOM 102 N LEU A 177 82.881 9.372 4.130 1.00 0.00 N ATOM 103 CA LEU A 177 81.819 10.417 3.980 1.00 0.00 C ATOM 104 C LEU A 177 80.525 9.954 4.643 1.00 0.00 C ATOM 105 O LEU A 177 79.842 10.715 5.290 1.00 0.00 O ATOM 106 CB LEU A 177 81.589 10.768 2.494 1.00 0.00 C ATOM 107 CG LEU A 177 80.841 9.627 1.743 1.00 0.00 C ATOM 108 CD1 LEU A 177 79.337 9.924 1.666 1.00 0.00 C ATOM 109 CD2 LEU A 177 81.375 9.475 0.308 1.00 0.00 C ATOM 0 H LEU A 177 83.252 8.994 3.258 1.00 0.00 H new ATOM 0 HA LEU A 177 82.156 11.324 4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 177 81.012 11.690 2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 177 82.548 10.954 2.011 1.00 0.00 H new ATOM 0 HG LEU A 177 81.011 8.706 2.300 1.00 0.00 H new ATOM 0 HD11 LEU A 177 78.833 9.115 1.138 1.00 0.00 H new ATOM 0 HD12 LEU A 177 78.931 10.008 2.674 1.00 0.00 H new ATOM 0 HD13 LEU A 177 79.178 10.861 1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 177 80.838 8.672 -0.197 1.00 0.00 H new ATOM 0 HD22 LEU A 177 81.228 10.408 -0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 177 82.438 9.237 0.339 1.00 0.00 H new ATOM 121 N SER A 178 80.223 8.680 4.470 1.00 0.00 N ATOM 122 CA SER A 178 78.990 8.064 5.051 1.00 0.00 C ATOM 123 C SER A 178 78.974 8.178 6.576 1.00 0.00 C ATOM 124 O SER A 178 77.949 8.396 7.167 1.00 0.00 O ATOM 125 CB SER A 178 78.861 6.598 4.616 1.00 0.00 C ATOM 126 OG SER A 178 79.365 5.756 5.644 1.00 0.00 O ATOM 0 H SER A 178 80.800 8.031 3.935 1.00 0.00 H new ATOM 0 HA SER A 178 78.131 8.616 4.668 1.00 0.00 H new ATOM 0 HB2 SER A 178 77.817 6.358 4.413 1.00 0.00 H new ATOM 0 HB3 SER A 178 79.413 6.431 3.691 1.00 0.00 H new ATOM 0 HG SER A 178 80.342 5.709 5.579 1.00 0.00 H new ATOM 132 N LEU A 179 80.110 8.000 7.208 1.00 0.00 N ATOM 133 CA LEU A 179 80.173 8.083 8.697 1.00 0.00 C ATOM 134 C LEU A 179 79.720 9.468 9.207 1.00 0.00 C ATOM 135 O LEU A 179 79.098 9.563 10.246 1.00 0.00 O ATOM 136 CB LEU A 179 81.611 7.783 9.183 1.00 0.00 C ATOM 137 CG LEU A 179 81.798 6.280 9.444 1.00 0.00 C ATOM 138 CD1 LEU A 179 81.787 5.520 8.118 1.00 0.00 C ATOM 139 CD2 LEU A 179 83.140 6.054 10.145 1.00 0.00 C ATOM 0 H LEU A 179 81.000 7.800 6.751 1.00 0.00 H new ATOM 0 HA LEU A 179 79.490 7.338 9.103 1.00 0.00 H new ATOM 0 HB2 LEU A 179 82.330 8.119 8.435 1.00 0.00 H new ATOM 0 HB3 LEU A 179 81.815 8.343 10.096 1.00 0.00 H new ATOM 0 HG LEU A 179 80.985 5.918 10.074 1.00 0.00 H new ATOM 0 HD11 LEU A 179 81.920 4.455 8.308 1.00 0.00 H new ATOM 0 HD12 LEU A 179 80.835 5.683 7.613 1.00 0.00 H new ATOM 0 HD13 LEU A 179 82.599 5.880 7.486 1.00 0.00 H new ATOM 0 HD21 LEU A 179 83.278 4.989 10.333 1.00 0.00 H new ATOM 0 HD22 LEU A 179 83.948 6.418 9.510 1.00 0.00 H new ATOM 0 HD23 LEU A 179 83.151 6.594 11.092 1.00 0.00 H new ATOM 151 N LEU A 180 80.104 10.535 8.505 1.00 0.00 N ATOM 152 CA LEU A 180 79.784 11.928 8.966 1.00 0.00 C ATOM 153 C LEU A 180 78.280 12.230 9.112 1.00 0.00 C ATOM 154 O LEU A 180 77.914 12.932 10.014 1.00 0.00 O ATOM 155 CB LEU A 180 80.400 12.953 8.003 1.00 0.00 C ATOM 156 CG LEU A 180 80.533 14.318 8.700 1.00 0.00 C ATOM 157 CD1 LEU A 180 81.592 14.263 9.826 1.00 0.00 C ATOM 158 CD2 LEU A 180 80.924 15.384 7.667 1.00 0.00 C ATOM 0 H LEU A 180 80.627 10.487 7.631 1.00 0.00 H new ATOM 0 HA LEU A 180 80.214 12.004 9.965 1.00 0.00 H new ATOM 0 HB2 LEU A 180 81.379 12.609 7.670 1.00 0.00 H new ATOM 0 HB3 LEU A 180 79.777 13.049 7.114 1.00 0.00 H new ATOM 0 HG LEU A 180 79.573 14.575 9.148 1.00 0.00 H new ATOM 0 HD11 LEU A 180 81.667 15.240 10.303 1.00 0.00 H new ATOM 0 HD12 LEU A 180 81.297 13.519 10.567 1.00 0.00 H new ATOM 0 HD13 LEU A 180 82.559 13.991 9.403 1.00 0.00 H new ATOM 0 HD21 LEU A 180 81.018 16.351 8.160 1.00 0.00 H new ATOM 0 HD22 LEU A 180 81.876 15.115 7.210 1.00 0.00 H new ATOM 0 HD23 LEU A 180 80.155 15.443 6.896 1.00 0.00 H new ATOM 170 N LEU A 181 77.430 11.760 8.204 1.00 0.00 N ATOM 171 CA LEU A 181 75.941 12.041 8.294 1.00 0.00 C ATOM 172 C LEU A 181 75.250 11.503 9.573 1.00 0.00 C ATOM 173 O LEU A 181 74.316 12.110 10.061 1.00 0.00 O ATOM 174 CB LEU A 181 75.158 11.551 7.038 1.00 0.00 C ATOM 175 CG LEU A 181 75.695 10.200 6.497 1.00 0.00 C ATOM 176 CD1 LEU A 181 74.975 9.001 7.169 1.00 0.00 C ATOM 177 CD2 LEU A 181 75.493 10.142 4.968 1.00 0.00 C ATOM 0 H LEU A 181 77.706 11.192 7.403 1.00 0.00 H new ATOM 0 HA LEU A 181 75.899 13.129 8.345 1.00 0.00 H new ATOM 0 HB2 LEU A 181 74.103 11.445 7.289 1.00 0.00 H new ATOM 0 HB3 LEU A 181 75.225 12.306 6.254 1.00 0.00 H new ATOM 0 HG LEU A 181 76.757 10.132 6.733 1.00 0.00 H new ATOM 0 HD11 LEU A 181 75.372 8.068 6.770 1.00 0.00 H new ATOM 0 HD12 LEU A 181 75.140 9.035 8.246 1.00 0.00 H new ATOM 0 HD13 LEU A 181 73.906 9.057 6.964 1.00 0.00 H new ATOM 0 HD21 LEU A 181 75.870 9.193 4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 181 74.431 10.229 4.738 1.00 0.00 H new ATOM 0 HD23 LEU A 181 76.035 10.963 4.498 1.00 0.00 H new ATOM 189 N LEU A 182 75.628 10.301 10.014 1.00 0.00 N ATOM 190 CA LEU A 182 74.904 9.611 11.165 1.00 0.00 C ATOM 191 C LEU A 182 74.896 10.387 12.503 1.00 0.00 C ATOM 192 O LEU A 182 73.888 10.398 13.173 1.00 0.00 O ATOM 193 CB LEU A 182 75.526 8.183 11.359 1.00 0.00 C ATOM 194 CG LEU A 182 75.547 7.725 12.836 1.00 0.00 C ATOM 195 CD1 LEU A 182 74.136 7.781 13.465 1.00 0.00 C ATOM 196 CD2 LEU A 182 76.097 6.291 12.890 1.00 0.00 C ATOM 0 H LEU A 182 76.407 9.769 9.625 1.00 0.00 H new ATOM 0 HA LEU A 182 73.853 9.557 10.881 1.00 0.00 H new ATOM 0 HB2 LEU A 182 74.958 7.463 10.770 1.00 0.00 H new ATOM 0 HB3 LEU A 182 76.544 8.181 10.970 1.00 0.00 H new ATOM 0 HG LEU A 182 76.184 8.398 13.411 1.00 0.00 H new ATOM 0 HD11 LEU A 182 74.187 7.453 14.503 1.00 0.00 H new ATOM 0 HD12 LEU A 182 73.761 8.804 13.426 1.00 0.00 H new ATOM 0 HD13 LEU A 182 73.464 7.126 12.910 1.00 0.00 H new ATOM 0 HD21 LEU A 182 76.120 5.949 13.925 1.00 0.00 H new ATOM 0 HD22 LEU A 182 75.455 5.633 12.304 1.00 0.00 H new ATOM 0 HD23 LEU A 182 77.107 6.273 12.479 1.00 0.00 H new ATOM 208 N PRO A 183 75.956 11.016 12.901 1.00 0.00 N ATOM 209 CA PRO A 183 75.995 11.786 14.182 1.00 0.00 C ATOM 210 C PRO A 183 75.427 13.238 14.184 1.00 0.00 C ATOM 211 O PRO A 183 75.282 13.780 15.251 1.00 0.00 O ATOM 212 CB PRO A 183 77.494 11.784 14.522 1.00 0.00 C ATOM 213 CG PRO A 183 78.194 11.736 13.197 1.00 0.00 C ATOM 214 CD PRO A 183 77.246 11.009 12.228 1.00 0.00 C ATOM 0 HA PRO A 183 75.329 11.314 14.904 1.00 0.00 H new ATOM 0 HB2 PRO A 183 77.772 12.676 15.083 1.00 0.00 H new ATOM 0 HB3 PRO A 183 77.757 10.925 15.139 1.00 0.00 H new ATOM 0 HG2 PRO A 183 78.418 12.741 12.840 1.00 0.00 H new ATOM 0 HG3 PRO A 183 79.144 11.208 13.279 1.00 0.00 H new ATOM 0 HD2 PRO A 183 77.194 11.520 11.266 1.00 0.00 H new ATOM 0 HD3 PRO A 183 77.585 9.992 12.031 1.00 0.00 H new ATOM 222 N ILE A 184 75.110 13.906 13.052 1.00 0.00 N ATOM 223 CA ILE A 184 74.580 15.304 13.192 1.00 0.00 C ATOM 224 C ILE A 184 73.161 15.324 13.791 1.00 0.00 C ATOM 225 O ILE A 184 72.836 16.222 14.533 1.00 0.00 O ATOM 226 CB ILE A 184 74.669 16.149 11.873 1.00 0.00 C ATOM 227 CG1 ILE A 184 75.565 15.481 10.811 1.00 0.00 C ATOM 228 CG2 ILE A 184 75.252 17.534 12.197 1.00 0.00 C ATOM 229 CD1 ILE A 184 76.916 15.057 11.397 1.00 0.00 C ATOM 0 H ILE A 184 75.197 13.549 12.101 1.00 0.00 H new ATOM 0 HA ILE A 184 75.245 15.797 13.901 1.00 0.00 H new ATOM 0 HB ILE A 184 73.660 16.228 11.468 1.00 0.00 H new ATOM 0 HG12 ILE A 184 75.056 14.609 10.401 1.00 0.00 H new ATOM 0 HG13 ILE A 184 75.727 16.173 9.984 1.00 0.00 H new ATOM 0 HG21 ILE A 184 75.316 18.125 11.283 1.00 0.00 H new ATOM 0 HG22 ILE A 184 74.606 18.042 12.913 1.00 0.00 H new ATOM 0 HG23 ILE A 184 76.248 17.419 12.625 1.00 0.00 H new ATOM 0 HD11 ILE A 184 77.520 14.590 10.619 1.00 0.00 H new ATOM 0 HD12 ILE A 184 77.436 15.934 11.783 1.00 0.00 H new ATOM 0 HD13 ILE A 184 76.754 14.345 12.207 1.00 0.00 H new ATOM 573 N GLY B 175 72.649 4.127 -1.592 1.00 0.00 N ATOM 574 CA GLY B 175 71.635 5.213 -1.641 1.00 0.00 C ATOM 575 C GLY B 175 71.152 5.623 -0.241 1.00 0.00 C ATOM 576 O GLY B 175 70.915 6.789 0.002 1.00 0.00 O ATOM 0 HA2 GLY B 175 72.060 6.081 -2.145 1.00 0.00 H new ATOM 0 HA3 GLY B 175 70.782 4.885 -2.235 1.00 0.00 H new ATOM 580 N TRP B 176 70.959 4.651 0.659 1.00 0.00 N ATOM 581 CA TRP B 176 70.432 4.968 2.023 1.00 0.00 C ATOM 582 C TRP B 176 71.324 5.926 2.822 1.00 0.00 C ATOM 583 O TRP B 176 70.812 6.795 3.499 1.00 0.00 O ATOM 584 CB TRP B 176 70.255 3.670 2.820 1.00 0.00 C ATOM 585 CG TRP B 176 69.347 3.912 3.986 1.00 0.00 C ATOM 586 CD1 TRP B 176 69.752 4.116 5.260 1.00 0.00 C ATOM 587 CD2 TRP B 176 67.893 3.980 4.003 1.00 0.00 C ATOM 588 NE1 TRP B 176 68.638 4.306 6.058 1.00 0.00 N ATOM 589 CE2 TRP B 176 67.468 4.231 5.328 1.00 0.00 C ATOM 590 CE3 TRP B 176 66.911 3.850 3.005 1.00 0.00 C ATOM 591 CZ2 TRP B 176 66.116 4.348 5.653 1.00 0.00 C ATOM 592 CZ3 TRP B 176 65.549 3.968 3.327 1.00 0.00 C ATOM 593 CH2 TRP B 176 65.152 4.216 4.649 1.00 0.00 C ATOM 0 H TRP B 176 71.148 3.663 0.491 1.00 0.00 H new ATOM 0 HA TRP B 176 69.478 5.473 1.872 1.00 0.00 H new ATOM 0 HB2 TRP B 176 69.840 2.892 2.179 1.00 0.00 H new ATOM 0 HB3 TRP B 176 71.223 3.312 3.169 1.00 0.00 H new ATOM 0 HD1 TRP B 176 70.777 4.129 5.599 1.00 0.00 H new ATOM 0 HE1 TRP B 176 68.676 4.480 7.062 1.00 0.00 H new ATOM 0 HE3 TRP B 176 67.206 3.658 1.984 1.00 0.00 H new ATOM 0 HZ2 TRP B 176 65.816 4.539 6.673 1.00 0.00 H new ATOM 0 HZ3 TRP B 176 64.803 3.867 2.552 1.00 0.00 H new ATOM 0 HH2 TRP B 176 64.103 4.305 4.891 1.00 0.00 H new ATOM 604 N LEU B 177 72.649 5.778 2.755 1.00 0.00 N ATOM 605 CA LEU B 177 73.526 6.706 3.535 1.00 0.00 C ATOM 606 C LEU B 177 73.286 8.140 3.077 1.00 0.00 C ATOM 607 O LEU B 177 73.211 9.050 3.870 1.00 0.00 O ATOM 608 CB LEU B 177 75.013 6.314 3.401 1.00 0.00 C ATOM 609 CG LEU B 177 75.567 6.643 1.987 1.00 0.00 C ATOM 610 CD1 LEU B 177 76.289 7.997 1.981 1.00 0.00 C ATOM 611 CD2 LEU B 177 76.572 5.567 1.550 1.00 0.00 C ATOM 0 H LEU B 177 73.135 5.070 2.205 1.00 0.00 H new ATOM 0 HA LEU B 177 73.270 6.629 4.592 1.00 0.00 H new ATOM 0 HB2 LEU B 177 75.598 6.842 4.154 1.00 0.00 H new ATOM 0 HB3 LEU B 177 75.128 5.248 3.598 1.00 0.00 H new ATOM 0 HG LEU B 177 74.720 6.676 1.302 1.00 0.00 H new ATOM 0 HD11 LEU B 177 76.667 8.203 0.980 1.00 0.00 H new ATOM 0 HD12 LEU B 177 75.592 8.782 2.275 1.00 0.00 H new ATOM 0 HD13 LEU B 177 77.121 7.969 2.684 1.00 0.00 H new ATOM 0 HD21 LEU B 177 76.954 5.807 0.558 1.00 0.00 H new ATOM 0 HD22 LEU B 177 77.399 5.533 2.259 1.00 0.00 H new ATOM 0 HD23 LEU B 177 76.077 4.596 1.523 1.00 0.00 H new ATOM 623 N SER B 178 73.133 8.293 1.773 1.00 0.00 N ATOM 624 CA SER B 178 72.866 9.624 1.145 1.00 0.00 C ATOM 625 C SER B 178 71.566 10.223 1.690 1.00 0.00 C ATOM 626 O SER B 178 71.460 11.404 1.903 1.00 0.00 O ATOM 627 CB SER B 178 72.797 9.495 -0.378 1.00 0.00 C ATOM 628 OG SER B 178 71.514 9.011 -0.756 1.00 0.00 O ATOM 0 H SER B 178 73.185 7.523 1.106 1.00 0.00 H new ATOM 0 HA SER B 178 73.688 10.294 1.397 1.00 0.00 H new ATOM 0 HB2 SER B 178 72.984 10.462 -0.844 1.00 0.00 H new ATOM 0 HB3 SER B 178 73.572 8.815 -0.731 1.00 0.00 H new ATOM 0 HG SER B 178 71.514 8.031 -0.732 1.00 0.00 H new ATOM 634 N LEU B 179 70.572 9.385 1.885 1.00 0.00 N ATOM 635 CA LEU B 179 69.250 9.852 2.396 1.00 0.00 C ATOM 636 C LEU B 179 69.394 10.525 3.777 1.00 0.00 C ATOM 637 O LEU B 179 68.701 11.478 4.070 1.00 0.00 O ATOM 638 CB LEU B 179 68.279 8.646 2.482 1.00 0.00 C ATOM 639 CG LEU B 179 67.302 8.643 1.287 1.00 0.00 C ATOM 640 CD1 LEU B 179 66.730 7.236 1.090 1.00 0.00 C ATOM 641 CD2 LEU B 179 66.154 9.623 1.561 1.00 0.00 C ATOM 0 H LEU B 179 70.627 8.382 1.707 1.00 0.00 H new ATOM 0 HA LEU B 179 68.849 10.595 1.706 1.00 0.00 H new ATOM 0 HB2 LEU B 179 68.847 7.716 2.495 1.00 0.00 H new ATOM 0 HB3 LEU B 179 67.718 8.690 3.416 1.00 0.00 H new ATOM 0 HG LEU B 179 67.836 8.947 0.387 1.00 0.00 H new ATOM 0 HD11 LEU B 179 66.041 7.238 0.246 1.00 0.00 H new ATOM 0 HD12 LEU B 179 67.543 6.537 0.893 1.00 0.00 H new ATOM 0 HD13 LEU B 179 66.199 6.930 1.991 1.00 0.00 H new ATOM 0 HD21 LEU B 179 65.464 9.621 0.717 1.00 0.00 H new ATOM 0 HD22 LEU B 179 65.624 9.319 2.464 1.00 0.00 H new ATOM 0 HD23 LEU B 179 66.557 10.627 1.697 1.00 0.00 H new ATOM 653 N LEU B 180 70.249 9.971 4.630 1.00 0.00 N ATOM 654 CA LEU B 180 70.419 10.492 6.030 1.00 0.00 C ATOM 655 C LEU B 180 70.873 11.969 6.093 1.00 0.00 C ATOM 656 O LEU B 180 70.422 12.693 6.953 1.00 0.00 O ATOM 657 CB LEU B 180 71.466 9.607 6.750 1.00 0.00 C ATOM 658 CG LEU B 180 71.201 9.513 8.273 1.00 0.00 C ATOM 659 CD1 LEU B 180 71.702 8.170 8.819 1.00 0.00 C ATOM 660 CD2 LEU B 180 71.913 10.655 9.011 1.00 0.00 C ATOM 0 H LEU B 180 70.839 9.170 4.404 1.00 0.00 H new ATOM 0 HA LEU B 180 69.444 10.450 6.515 1.00 0.00 H new ATOM 0 HB2 LEU B 180 71.453 8.606 6.318 1.00 0.00 H new ATOM 0 HB3 LEU B 180 72.463 10.015 6.580 1.00 0.00 H new ATOM 0 HG LEU B 180 70.126 9.592 8.437 1.00 0.00 H new ATOM 0 HD11 LEU B 180 71.509 8.118 9.891 1.00 0.00 H new ATOM 0 HD12 LEU B 180 71.180 7.356 8.317 1.00 0.00 H new ATOM 0 HD13 LEU B 180 72.773 8.081 8.638 1.00 0.00 H new ATOM 0 HD21 LEU B 180 71.717 10.575 10.080 1.00 0.00 H new ATOM 0 HD22 LEU B 180 72.986 10.590 8.833 1.00 0.00 H new ATOM 0 HD23 LEU B 180 71.542 11.612 8.645 1.00 0.00 H new ATOM 672 N LEU B 181 71.781 12.398 5.220 1.00 0.00 N ATOM 673 CA LEU B 181 72.271 13.832 5.241 1.00 0.00 C ATOM 674 C LEU B 181 71.164 14.898 5.001 1.00 0.00 C ATOM 675 O LEU B 181 71.205 15.955 5.589 1.00 0.00 O ATOM 676 CB LEU B 181 73.473 14.068 4.274 1.00 0.00 C ATOM 677 CG LEU B 181 73.437 13.132 3.039 1.00 0.00 C ATOM 678 CD1 LEU B 181 72.559 13.741 1.931 1.00 0.00 C ATOM 679 CD2 LEU B 181 74.865 12.916 2.502 1.00 0.00 C ATOM 0 H LEU B 181 72.201 11.815 4.496 1.00 0.00 H new ATOM 0 HA LEU B 181 72.615 13.975 6.265 1.00 0.00 H new ATOM 0 HB2 LEU B 181 73.467 15.105 3.939 1.00 0.00 H new ATOM 0 HB3 LEU B 181 74.406 13.913 4.816 1.00 0.00 H new ATOM 0 HG LEU B 181 73.014 12.174 3.342 1.00 0.00 H new ATOM 0 HD11 LEU B 181 72.543 13.072 1.070 1.00 0.00 H new ATOM 0 HD12 LEU B 181 71.544 13.876 2.304 1.00 0.00 H new ATOM 0 HD13 LEU B 181 72.967 14.707 1.633 1.00 0.00 H new ATOM 0 HD21 LEU B 181 74.832 12.257 1.634 1.00 0.00 H new ATOM 0 HD22 LEU B 181 75.294 13.875 2.213 1.00 0.00 H new ATOM 0 HD23 LEU B 181 75.481 12.462 3.278 1.00 0.00 H new ATOM 691 N LEU B 182 70.233 14.635 4.077 1.00 0.00 N ATOM 692 CA LEU B 182 69.161 15.647 3.708 1.00 0.00 C ATOM 693 C LEU B 182 68.237 16.091 4.875 1.00 0.00 C ATOM 694 O LEU B 182 67.928 17.261 4.957 1.00 0.00 O ATOM 695 CB LEU B 182 68.328 15.066 2.542 1.00 0.00 C ATOM 696 CG LEU B 182 67.231 16.043 2.043 1.00 0.00 C ATOM 697 CD1 LEU B 182 66.044 16.127 3.034 1.00 0.00 C ATOM 698 CD2 LEU B 182 67.828 17.439 1.796 1.00 0.00 C ATOM 0 H LEU B 182 70.175 13.756 3.563 1.00 0.00 H new ATOM 0 HA LEU B 182 69.679 16.561 3.418 1.00 0.00 H new ATOM 0 HB2 LEU B 182 68.993 14.819 1.714 1.00 0.00 H new ATOM 0 HB3 LEU B 182 67.861 14.135 2.864 1.00 0.00 H new ATOM 0 HG LEU B 182 66.845 15.653 1.101 1.00 0.00 H new ATOM 0 HD11 LEU B 182 65.297 16.821 2.649 1.00 0.00 H new ATOM 0 HD12 LEU B 182 65.596 15.140 3.150 1.00 0.00 H new ATOM 0 HD13 LEU B 182 66.402 16.479 4.001 1.00 0.00 H new ATOM 0 HD21 LEU B 182 67.046 18.113 1.446 1.00 0.00 H new ATOM 0 HD22 LEU B 182 68.250 17.824 2.724 1.00 0.00 H new ATOM 0 HD23 LEU B 182 68.612 17.371 1.042 1.00 0.00 H new ATOM 710 N PRO B 183 67.800 15.229 5.765 1.00 0.00 N ATOM 711 CA PRO B 183 66.929 15.634 6.933 1.00 0.00 C ATOM 712 C PRO B 183 67.554 16.526 8.064 1.00 0.00 C ATOM 713 O PRO B 183 66.811 17.280 8.659 1.00 0.00 O ATOM 714 CB PRO B 183 66.453 14.285 7.510 1.00 0.00 C ATOM 715 CG PRO B 183 67.486 13.294 7.088 1.00 0.00 C ATOM 716 CD PRO B 183 68.002 13.779 5.734 1.00 0.00 C ATOM 0 HA PRO B 183 66.154 16.303 6.558 1.00 0.00 H new ATOM 0 HB2 PRO B 183 66.369 14.329 8.596 1.00 0.00 H new ATOM 0 HB3 PRO B 183 65.469 14.017 7.125 1.00 0.00 H new ATOM 0 HG2 PRO B 183 68.294 13.238 7.817 1.00 0.00 H new ATOM 0 HG3 PRO B 183 67.059 12.294 7.008 1.00 0.00 H new ATOM 0 HD2 PRO B 183 69.054 13.527 5.596 1.00 0.00 H new ATOM 0 HD3 PRO B 183 67.454 13.319 4.912 1.00 0.00 H new ATOM 724 N ILE B 184 68.870 16.464 8.410 1.00 0.00 N ATOM 725 CA ILE B 184 69.351 17.347 9.534 1.00 0.00 C ATOM 726 C ILE B 184 69.373 18.837 9.151 1.00 0.00 C ATOM 727 O ILE B 184 69.061 19.679 9.969 1.00 0.00 O ATOM 728 CB ILE B 184 70.720 16.917 10.131 1.00 0.00 C ATOM 729 CG1 ILE B 184 70.773 15.390 10.316 1.00 0.00 C ATOM 730 CG2 ILE B 184 70.878 17.586 11.520 1.00 0.00 C ATOM 731 CD1 ILE B 184 71.074 14.673 8.992 1.00 0.00 C ATOM 0 H ILE B 184 69.574 15.868 7.975 1.00 0.00 H new ATOM 0 HA ILE B 184 68.609 17.210 10.320 1.00 0.00 H new ATOM 0 HB ILE B 184 71.518 17.221 9.453 1.00 0.00 H new ATOM 0 HG12 ILE B 184 71.538 15.138 11.050 1.00 0.00 H new ATOM 0 HG13 ILE B 184 69.821 15.037 10.714 1.00 0.00 H new ATOM 0 HG21 ILE B 184 71.834 17.297 11.957 1.00 0.00 H new ATOM 0 HG22 ILE B 184 70.844 18.670 11.408 1.00 0.00 H new ATOM 0 HG23 ILE B 184 70.068 17.263 12.174 1.00 0.00 H new ATOM 0 HD11 ILE B 184 71.104 13.596 9.160 1.00 0.00 H new ATOM 0 HD12 ILE B 184 70.294 14.906 8.267 1.00 0.00 H new ATOM 0 HD13 ILE B 184 72.038 15.007 8.608 1.00 0.00 H new ATOM 743 N PRO B 185 69.736 19.175 7.937 1.00 0.00 N ATOM 744 CA PRO B 185 69.786 20.601 7.493 1.00 0.00 C ATOM 745 C PRO B 185 68.438 21.311 7.666 1.00 0.00 C ATOM 746 O PRO B 185 68.371 22.525 7.669 1.00 0.00 O ATOM 747 CB PRO B 185 70.178 20.540 5.998 1.00 0.00 C ATOM 748 CG PRO B 185 70.647 19.136 5.733 1.00 0.00 C ATOM 749 CD PRO B 185 70.123 18.247 6.874 1.00 0.00 C ATOM 0 HA PRO B 185 70.495 21.172 8.092 1.00 0.00 H new ATOM 0 HB2 PRO B 185 69.327 20.790 5.364 1.00 0.00 H new ATOM 0 HB3 PRO B 185 70.965 21.260 5.774 1.00 0.00 H new ATOM 0 HG2 PRO B 185 70.275 18.783 4.771 1.00 0.00 H new ATOM 0 HG3 PRO B 185 71.735 19.098 5.687 1.00 0.00 H new ATOM 0 HD2 PRO B 185 69.274 17.647 6.547 1.00 0.00 H new ATOM 0 HD3 PRO B 185 70.891 17.553 7.217 1.00 0.00 H new ATOM 1075 N GLY C 175 79.238 12.627 -5.832 1.00 0.00 N ATOM 1076 CA GLY C 175 80.046 13.615 -5.072 1.00 0.00 C ATOM 1077 C GLY C 175 79.164 14.614 -4.309 1.00 0.00 C ATOM 1078 O GLY C 175 79.494 14.998 -3.205 1.00 0.00 O ATOM 0 HA2 GLY C 175 80.692 13.090 -4.368 1.00 0.00 H new ATOM 0 HA3 GLY C 175 80.696 14.157 -5.759 1.00 0.00 H new ATOM 1082 N TRP C 176 78.063 15.065 -4.928 1.00 0.00 N ATOM 1083 CA TRP C 176 77.176 16.083 -4.282 1.00 0.00 C ATOM 1084 C TRP C 176 76.574 15.633 -2.945 1.00 0.00 C ATOM 1085 O TRP C 176 76.489 16.427 -2.030 1.00 0.00 O ATOM 1086 CB TRP C 176 76.042 16.443 -5.242 1.00 0.00 C ATOM 1087 CG TRP C 176 75.237 17.562 -4.665 1.00 0.00 C ATOM 1088 CD1 TRP C 176 74.109 17.411 -3.932 1.00 0.00 C ATOM 1089 CD2 TRP C 176 75.474 18.996 -4.759 1.00 0.00 C ATOM 1090 NE1 TRP C 176 73.641 18.660 -3.569 1.00 0.00 N ATOM 1091 CE2 TRP C 176 74.448 19.670 -4.056 1.00 0.00 C ATOM 1092 CE3 TRP C 176 76.470 19.771 -5.381 1.00 0.00 C ATOM 1093 CZ2 TRP C 176 74.411 21.063 -3.971 1.00 0.00 C ATOM 1094 CZ3 TRP C 176 76.436 21.173 -5.298 1.00 0.00 C ATOM 1095 CH2 TRP C 176 75.409 21.817 -4.594 1.00 0.00 C ATOM 0 H TRP C 176 77.758 14.759 -5.852 1.00 0.00 H new ATOM 0 HA TRP C 176 77.808 16.944 -4.063 1.00 0.00 H new ATOM 0 HB2 TRP C 176 76.450 16.735 -6.210 1.00 0.00 H new ATOM 0 HB3 TRP C 176 75.406 15.574 -5.413 1.00 0.00 H new ATOM 0 HD1 TRP C 176 73.650 16.468 -3.673 1.00 0.00 H new ATOM 0 HE1 TRP C 176 72.802 18.817 -3.010 1.00 0.00 H new ATOM 0 HE3 TRP C 176 77.266 19.285 -5.926 1.00 0.00 H new ATOM 0 HZ2 TRP C 176 73.617 21.554 -3.428 1.00 0.00 H new ATOM 0 HZ3 TRP C 176 77.206 21.758 -5.779 1.00 0.00 H new ATOM 0 HH2 TRP C 176 75.389 22.895 -4.533 1.00 0.00 H new ATOM 1106 N LEU C 177 76.148 14.375 -2.825 1.00 0.00 N ATOM 1107 CA LEU C 177 75.549 13.924 -1.529 1.00 0.00 C ATOM 1108 C LEU C 177 76.563 14.070 -0.398 1.00 0.00 C ATOM 1109 O LEU C 177 76.232 14.481 0.692 1.00 0.00 O ATOM 1110 CB LEU C 177 75.035 12.473 -1.632 1.00 0.00 C ATOM 1111 CG LEU C 177 76.209 11.457 -1.721 1.00 0.00 C ATOM 1112 CD1 LEU C 177 76.509 10.851 -0.343 1.00 0.00 C ATOM 1113 CD2 LEU C 177 75.854 10.308 -2.680 1.00 0.00 C ATOM 0 H LEU C 177 76.193 13.667 -3.558 1.00 0.00 H new ATOM 0 HA LEU C 177 74.693 14.560 -1.305 1.00 0.00 H new ATOM 0 HB2 LEU C 177 74.418 12.242 -0.764 1.00 0.00 H new ATOM 0 HB3 LEU C 177 74.399 12.373 -2.511 1.00 0.00 H new ATOM 0 HG LEU C 177 77.082 11.997 -2.087 1.00 0.00 H new ATOM 0 HD11 LEU C 177 77.333 10.143 -0.428 1.00 0.00 H new ATOM 0 HD12 LEU C 177 76.783 11.645 0.352 1.00 0.00 H new ATOM 0 HD13 LEU C 177 75.624 10.334 0.028 1.00 0.00 H new ATOM 0 HD21 LEU C 177 76.686 9.606 -2.731 1.00 0.00 H new ATOM 0 HD22 LEU C 177 74.966 9.792 -2.316 1.00 0.00 H new ATOM 0 HD23 LEU C 177 75.658 10.711 -3.674 1.00 0.00 H new ATOM 1125 N SER C 178 77.807 13.734 -0.695 1.00 0.00 N ATOM 1126 CA SER C 178 78.914 13.825 0.312 1.00 0.00 C ATOM 1127 C SER C 178 79.083 15.265 0.820 1.00 0.00 C ATOM 1128 O SER C 178 79.342 15.489 1.976 1.00 0.00 O ATOM 1129 CB SER C 178 80.232 13.303 -0.294 1.00 0.00 C ATOM 1130 OG SER C 178 81.186 14.358 -0.355 1.00 0.00 O ATOM 0 H SER C 178 78.100 13.395 -1.611 1.00 0.00 H new ATOM 0 HA SER C 178 78.651 13.200 1.165 1.00 0.00 H new ATOM 0 HB2 SER C 178 80.621 12.483 0.310 1.00 0.00 H new ATOM 0 HB3 SER C 178 80.051 12.905 -1.293 1.00 0.00 H new ATOM 0 HG SER C 178 82.022 14.021 -0.739 1.00 0.00 H new ATOM 1136 N LEU C 179 78.957 16.233 -0.064 1.00 0.00 N ATOM 1137 CA LEU C 179 79.118 17.665 0.335 1.00 0.00 C ATOM 1138 C LEU C 179 78.091 18.064 1.413 1.00 0.00 C ATOM 1139 O LEU C 179 78.397 18.843 2.295 1.00 0.00 O ATOM 1140 CB LEU C 179 78.988 18.588 -0.903 1.00 0.00 C ATOM 1141 CG LEU C 179 80.375 18.924 -1.497 1.00 0.00 C ATOM 1142 CD1 LEU C 179 81.204 19.770 -0.504 1.00 0.00 C ATOM 1143 CD2 LEU C 179 81.127 17.628 -1.835 1.00 0.00 C ATOM 0 H LEU C 179 78.748 16.086 -1.051 1.00 0.00 H new ATOM 0 HA LEU C 179 80.114 17.785 0.761 1.00 0.00 H new ATOM 0 HB2 LEU C 179 78.373 18.101 -1.660 1.00 0.00 H new ATOM 0 HB3 LEU C 179 78.477 19.509 -0.622 1.00 0.00 H new ATOM 0 HG LEU C 179 80.230 19.504 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU C 179 82.177 19.995 -0.942 1.00 0.00 H new ATOM 0 HD12 LEU C 179 80.678 20.700 -0.291 1.00 0.00 H new ATOM 0 HD13 LEU C 179 81.343 19.212 0.422 1.00 0.00 H new ATOM 0 HD21 LEU C 179 82.103 17.872 -2.253 1.00 0.00 H new ATOM 0 HD22 LEU C 179 81.258 17.036 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU C 179 80.554 17.054 -2.563 1.00 0.00 H new ATOM 1155 N LEU C 180 76.861 17.576 1.287 1.00 0.00 N ATOM 1156 CA LEU C 180 75.763 17.959 2.234 1.00 0.00 C ATOM 1157 C LEU C 180 76.054 17.612 3.706 1.00 0.00 C ATOM 1158 O LEU C 180 75.687 18.369 4.575 1.00 0.00 O ATOM 1159 CB LEU C 180 74.454 17.276 1.809 1.00 0.00 C ATOM 1160 CG LEU C 180 73.244 18.036 2.375 1.00 0.00 C ATOM 1161 CD1 LEU C 180 73.122 19.439 1.732 1.00 0.00 C ATOM 1162 CD2 LEU C 180 71.968 17.226 2.107 1.00 0.00 C ATOM 0 H LEU C 180 76.579 16.922 0.557 1.00 0.00 H new ATOM 0 HA LEU C 180 75.682 19.045 2.178 1.00 0.00 H new ATOM 0 HB2 LEU C 180 74.392 17.239 0.721 1.00 0.00 H new ATOM 0 HB3 LEU C 180 74.442 16.245 2.164 1.00 0.00 H new ATOM 0 HG LEU C 180 73.382 18.166 3.448 1.00 0.00 H new ATOM 0 HD11 LEU C 180 72.258 19.957 2.149 1.00 0.00 H new ATOM 0 HD12 LEU C 180 74.025 20.014 1.939 1.00 0.00 H new ATOM 0 HD13 LEU C 180 72.997 19.336 0.654 1.00 0.00 H new ATOM 0 HD21 LEU C 180 71.107 17.761 2.507 1.00 0.00 H new ATOM 0 HD22 LEU C 180 71.843 17.088 1.033 1.00 0.00 H new ATOM 0 HD23 LEU C 180 72.047 16.252 2.591 1.00 0.00 H new ATOM 1174 N LEU C 181 76.652 16.462 3.994 1.00 0.00 N ATOM 1175 CA LEU C 181 76.930 16.081 5.431 1.00 0.00 C ATOM 1176 C LEU C 181 77.863 17.067 6.195 1.00 0.00 C ATOM 1177 O LEU C 181 77.648 17.320 7.364 1.00 0.00 O ATOM 1178 CB LEU C 181 77.487 14.626 5.547 1.00 0.00 C ATOM 1179 CG LEU C 181 78.295 14.185 4.295 1.00 0.00 C ATOM 1180 CD1 LEU C 181 79.757 14.645 4.401 1.00 0.00 C ATOM 1181 CD2 LEU C 181 78.259 12.650 4.158 1.00 0.00 C ATOM 0 H LEU C 181 76.956 15.778 3.301 1.00 0.00 H new ATOM 0 HA LEU C 181 75.956 16.140 5.917 1.00 0.00 H new ATOM 0 HB2 LEU C 181 78.125 14.556 6.428 1.00 0.00 H new ATOM 0 HB3 LEU C 181 76.657 13.936 5.699 1.00 0.00 H new ATOM 0 HG LEU C 181 77.839 14.645 3.418 1.00 0.00 H new ATOM 0 HD11 LEU C 181 80.304 14.326 3.514 1.00 0.00 H new ATOM 0 HD12 LEU C 181 79.792 15.732 4.477 1.00 0.00 H new ATOM 0 HD13 LEU C 181 80.214 14.204 5.287 1.00 0.00 H new ATOM 0 HD21 LEU C 181 78.828 12.350 3.278 1.00 0.00 H new ATOM 0 HD22 LEU C 181 78.698 12.195 5.046 1.00 0.00 H new ATOM 0 HD23 LEU C 181 77.226 12.318 4.053 1.00 0.00 H new ATOM 1193 N LEU C 182 78.915 17.572 5.541 1.00 0.00 N ATOM 1194 CA LEU C 182 79.918 18.492 6.215 1.00 0.00 C ATOM 1195 C LEU C 182 79.342 19.818 6.781 1.00 0.00 C ATOM 1196 O LEU C 182 79.738 20.218 7.853 1.00 0.00 O ATOM 1197 CB LEU C 182 81.055 18.777 5.206 1.00 0.00 C ATOM 1198 CG LEU C 182 82.175 19.669 5.796 1.00 0.00 C ATOM 1199 CD1 LEU C 182 81.728 21.147 5.920 1.00 0.00 C ATOM 1200 CD2 LEU C 182 82.625 19.128 7.164 1.00 0.00 C ATOM 0 H LEU C 182 79.117 17.380 4.560 1.00 0.00 H new ATOM 0 HA LEU C 182 80.277 17.968 7.101 1.00 0.00 H new ATOM 0 HB2 LEU C 182 81.486 17.832 4.876 1.00 0.00 H new ATOM 0 HB3 LEU C 182 80.638 19.262 4.324 1.00 0.00 H new ATOM 0 HG LEU C 182 83.018 19.638 5.106 1.00 0.00 H new ATOM 0 HD11 LEU C 182 82.542 21.739 6.338 1.00 0.00 H new ATOM 0 HD12 LEU C 182 81.468 21.532 4.934 1.00 0.00 H new ATOM 0 HD13 LEU C 182 80.859 21.211 6.575 1.00 0.00 H new ATOM 0 HD21 LEU C 182 83.413 19.765 7.566 1.00 0.00 H new ATOM 0 HD22 LEU C 182 81.778 19.122 7.850 1.00 0.00 H new ATOM 0 HD23 LEU C 182 83.004 18.113 7.047 1.00 0.00 H new ATOM 1212 N PRO C 183 78.439 20.497 6.109 1.00 0.00 N ATOM 1213 CA PRO C 183 77.825 21.782 6.616 1.00 0.00 C ATOM 1214 C PRO C 183 76.805 21.715 7.796 1.00 0.00 C ATOM 1215 O PRO C 183 76.637 22.725 8.450 1.00 0.00 O ATOM 1216 CB PRO C 183 77.122 22.331 5.361 1.00 0.00 C ATOM 1217 CG PRO C 183 76.752 21.111 4.604 1.00 0.00 C ATOM 1218 CD PRO C 183 77.948 20.187 4.765 1.00 0.00 C ATOM 0 HA PRO C 183 78.617 22.385 7.060 1.00 0.00 H new ATOM 0 HB2 PRO C 183 76.244 22.923 5.620 1.00 0.00 H new ATOM 0 HB3 PRO C 183 77.782 22.977 4.782 1.00 0.00 H new ATOM 0 HG2 PRO C 183 75.844 20.658 5.001 1.00 0.00 H new ATOM 0 HG3 PRO C 183 76.563 21.337 3.555 1.00 0.00 H new ATOM 0 HD2 PRO C 183 77.661 19.139 4.674 1.00 0.00 H new ATOM 0 HD3 PRO C 183 78.707 20.377 4.006 1.00 0.00 H new ATOM 1226 N ILE C 184 76.079 20.604 8.075 1.00 0.00 N ATOM 1227 CA ILE C 184 75.084 20.690 9.201 1.00 0.00 C ATOM 1228 C ILE C 184 75.757 20.781 10.572 1.00 0.00 C ATOM 1229 O ILE C 184 75.290 21.499 11.433 1.00 0.00 O ATOM 1230 CB ILE C 184 74.016 19.570 9.176 1.00 0.00 C ATOM 1231 CG1 ILE C 184 73.260 19.601 7.833 1.00 0.00 C ATOM 1232 CG2 ILE C 184 73.024 19.821 10.330 1.00 0.00 C ATOM 1233 CD1 ILE C 184 74.035 18.826 6.748 1.00 0.00 C ATOM 0 H ILE C 184 76.142 19.708 7.592 1.00 0.00 H new ATOM 0 HA ILE C 184 74.551 21.625 9.030 1.00 0.00 H new ATOM 0 HB ILE C 184 74.492 18.596 9.291 1.00 0.00 H new ATOM 0 HG12 ILE C 184 72.269 19.165 7.959 1.00 0.00 H new ATOM 0 HG13 ILE C 184 73.116 20.634 7.516 1.00 0.00 H new ATOM 0 HG21 ILE C 184 72.262 19.042 10.331 1.00 0.00 H new ATOM 0 HG22 ILE C 184 73.559 19.806 11.280 1.00 0.00 H new ATOM 0 HG23 ILE C 184 72.549 20.793 10.197 1.00 0.00 H new ATOM 0 HD11 ILE C 184 73.482 18.862 5.810 1.00 0.00 H new ATOM 0 HD12 ILE C 184 75.016 19.279 6.608 1.00 0.00 H new ATOM 0 HD13 ILE C 184 74.156 17.788 7.058 1.00 0.00 H new