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 -81:sc= 0.714 USER MOD Single : B 178 SER OG : rot -57:sc= 0.779 USER MOD Single : C 178 SER OG : rot -51:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 52 N LEU A 174 85.483 6.246 0.665 1.00 0.00 N ATOM 53 CA LEU A 174 84.030 6.416 0.382 1.00 0.00 C ATOM 54 C LEU A 174 83.217 6.160 1.641 1.00 0.00 C ATOM 55 O LEU A 174 82.263 6.851 1.917 1.00 0.00 O ATOM 56 CB LEU A 174 83.593 5.446 -0.719 1.00 0.00 C ATOM 57 CG LEU A 174 84.611 5.463 -1.864 1.00 0.00 C ATOM 58 CD1 LEU A 174 84.067 4.645 -3.037 1.00 0.00 C ATOM 59 CD2 LEU A 174 84.857 6.906 -2.320 1.00 0.00 C ATOM 0 HA LEU A 174 83.857 7.439 0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 174 83.505 4.438 -0.314 1.00 0.00 H new ATOM 0 HB3 LEU A 174 82.608 5.726 -1.092 1.00 0.00 H new ATOM 0 HG LEU A 174 85.550 5.031 -1.518 1.00 0.00 H new ATOM 0 HD11 LEU A 174 84.789 4.655 -3.853 1.00 0.00 H new ATOM 0 HD12 LEU A 174 83.897 3.617 -2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 174 83.127 5.079 -3.378 1.00 0.00 H new ATOM 0 HD21 LEU A 174 85.582 6.912 -3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 174 83.920 7.343 -2.665 1.00 0.00 H new ATOM 0 HD23 LEU A 174 85.244 7.490 -1.485 1.00 0.00 H new ATOM 71 N GLY A 175 83.621 5.154 2.399 1.00 0.00 N ATOM 72 CA GLY A 175 82.917 4.807 3.662 1.00 0.00 C ATOM 73 C GLY A 175 82.934 5.978 4.652 1.00 0.00 C ATOM 74 O GLY A 175 81.966 6.209 5.347 1.00 0.00 O ATOM 0 H GLY A 175 84.420 4.559 2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 175 81.886 4.530 3.441 1.00 0.00 H new ATOM 0 HA3 GLY A 175 83.390 3.937 4.117 1.00 0.00 H new ATOM 78 N TRP A 176 84.068 6.687 4.735 1.00 0.00 N ATOM 79 CA TRP A 176 84.207 7.815 5.704 1.00 0.00 C ATOM 80 C TRP A 176 83.181 8.931 5.480 1.00 0.00 C ATOM 81 O TRP A 176 82.663 9.473 6.436 1.00 0.00 O ATOM 82 CB TRP A 176 85.622 8.394 5.606 1.00 0.00 C ATOM 83 CG TRP A 176 85.757 9.573 6.519 1.00 0.00 C ATOM 84 CD1 TRP A 176 85.424 10.844 6.200 1.00 0.00 C ATOM 85 CD2 TRP A 176 86.255 9.613 7.888 1.00 0.00 C ATOM 86 NE1 TRP A 176 85.688 11.662 7.285 1.00 0.00 N ATOM 87 CE2 TRP A 176 86.200 10.948 8.350 1.00 0.00 C ATOM 88 CE3 TRP A 176 86.744 8.627 8.766 1.00 0.00 C ATOM 89 CZ2 TRP A 176 86.614 11.295 9.636 1.00 0.00 C ATOM 90 CZ3 TRP A 176 87.163 8.974 10.060 1.00 0.00 C ATOM 91 CH2 TRP A 176 87.098 10.305 10.495 1.00 0.00 C ATOM 0 H TRP A 176 84.894 6.515 4.162 1.00 0.00 H new ATOM 0 HA TRP A 176 84.021 7.409 6.698 1.00 0.00 H new ATOM 0 HB2 TRP A 176 86.355 7.632 5.872 1.00 0.00 H new ATOM 0 HB3 TRP A 176 85.831 8.693 4.579 1.00 0.00 H new ATOM 0 HD1 TRP A 176 85.018 11.168 5.253 1.00 0.00 H new ATOM 0 HE1 TRP A 176 85.524 12.669 7.296 1.00 0.00 H new ATOM 0 HE3 TRP A 176 86.797 7.598 8.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 176 86.561 12.322 9.966 1.00 0.00 H new ATOM 0 HZ3 TRP A 176 87.538 8.210 10.725 1.00 0.00 H new ATOM 0 HH2 TRP A 176 87.421 10.565 11.492 1.00 0.00 H new ATOM 102 N LEU A 177 82.886 9.281 4.229 1.00 0.00 N ATOM 103 CA LEU A 177 81.893 10.372 3.994 1.00 0.00 C ATOM 104 C LEU A 177 80.546 9.984 4.600 1.00 0.00 C ATOM 105 O LEU A 177 79.884 10.800 5.192 1.00 0.00 O ATOM 106 CB LEU A 177 81.766 10.692 2.486 1.00 0.00 C ATOM 107 CG LEU A 177 80.883 9.645 1.751 1.00 0.00 C ATOM 108 CD1 LEU A 177 79.402 10.091 1.728 1.00 0.00 C ATOM 109 CD2 LEU A 177 81.377 9.458 0.302 1.00 0.00 C ATOM 0 H LEU A 177 83.287 8.861 3.390 1.00 0.00 H new ATOM 0 HA LEU A 177 82.243 11.280 4.485 1.00 0.00 H new ATOM 0 HB2 LEU A 177 81.335 11.685 2.359 1.00 0.00 H new ATOM 0 HB3 LEU A 177 82.757 10.714 2.034 1.00 0.00 H new ATOM 0 HG LEU A 177 80.960 8.702 2.291 1.00 0.00 H new ATOM 0 HD11 LEU A 177 78.804 9.342 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 177 79.039 10.200 2.750 1.00 0.00 H new ATOM 0 HD13 LEU A 177 79.318 11.046 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 177 80.751 8.722 -0.204 1.00 0.00 H new ATOM 0 HD22 LEU A 177 81.319 10.409 -0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 177 82.410 9.110 0.312 1.00 0.00 H new ATOM 121 N SER A 178 80.190 8.713 4.445 1.00 0.00 N ATOM 122 CA SER A 178 78.904 8.137 4.981 1.00 0.00 C ATOM 123 C SER A 178 78.791 8.260 6.509 1.00 0.00 C ATOM 124 O SER A 178 77.730 8.487 7.027 1.00 0.00 O ATOM 125 CB SER A 178 78.762 6.668 4.562 1.00 0.00 C ATOM 126 OG SER A 178 79.192 5.829 5.626 1.00 0.00 O ATOM 0 H SER A 178 80.765 8.032 3.949 1.00 0.00 H new ATOM 0 HA SER A 178 78.092 8.722 4.549 1.00 0.00 H new ATOM 0 HB2 SER A 178 77.725 6.449 4.309 1.00 0.00 H new ATOM 0 HB3 SER A 178 79.356 6.474 3.669 1.00 0.00 H new ATOM 0 HG SER A 178 80.170 5.764 5.617 1.00 0.00 H new ATOM 132 N LEU A 179 79.886 8.052 7.211 1.00 0.00 N ATOM 133 CA LEU A 179 79.905 8.102 8.714 1.00 0.00 C ATOM 134 C LEU A 179 79.465 9.468 9.288 1.00 0.00 C ATOM 135 O LEU A 179 78.856 9.517 10.338 1.00 0.00 O ATOM 136 CB LEU A 179 81.322 7.744 9.229 1.00 0.00 C ATOM 137 CG LEU A 179 81.435 6.236 9.516 1.00 0.00 C ATOM 138 CD1 LEU A 179 81.325 5.449 8.211 1.00 0.00 C ATOM 139 CD2 LEU A 179 82.790 5.944 10.167 1.00 0.00 C ATOM 0 H LEU A 179 80.792 7.844 6.792 1.00 0.00 H new ATOM 0 HA LEU A 179 79.176 7.370 9.063 1.00 0.00 H new ATOM 0 HB2 LEU A 179 82.067 8.035 8.488 1.00 0.00 H new ATOM 0 HB3 LEU A 179 81.537 8.308 10.136 1.00 0.00 H new ATOM 0 HG LEU A 179 80.629 5.937 10.187 1.00 0.00 H new ATOM 0 HD11 LEU A 179 81.406 4.383 8.421 1.00 0.00 H new ATOM 0 HD12 LEU A 179 80.363 5.655 7.742 1.00 0.00 H new ATOM 0 HD13 LEU A 179 82.128 5.748 7.537 1.00 0.00 H new ATOM 0 HD21 LEU A 179 82.873 4.877 10.371 1.00 0.00 H new ATOM 0 HD22 LEU A 179 83.591 6.248 9.493 1.00 0.00 H new ATOM 0 HD23 LEU A 179 82.872 6.500 11.101 1.00 0.00 H new ATOM 151 N LEU A 180 79.868 10.559 8.652 1.00 0.00 N ATOM 152 CA LEU A 180 79.593 11.935 9.195 1.00 0.00 C ATOM 153 C LEU A 180 78.105 12.272 9.388 1.00 0.00 C ATOM 154 O LEU A 180 77.781 12.965 10.312 1.00 0.00 O ATOM 155 CB LEU A 180 80.178 12.988 8.239 1.00 0.00 C ATOM 156 CG LEU A 180 80.463 14.299 8.992 1.00 0.00 C ATOM 157 CD1 LEU A 180 81.789 14.207 9.767 1.00 0.00 C ATOM 158 CD2 LEU A 180 80.552 15.458 7.997 1.00 0.00 C ATOM 0 H LEU A 180 80.381 10.548 7.770 1.00 0.00 H new ATOM 0 HA LEU A 180 80.058 11.947 10.181 1.00 0.00 H new ATOM 0 HB2 LEU A 180 81.098 12.611 7.792 1.00 0.00 H new ATOM 0 HB3 LEU A 180 79.480 13.175 7.423 1.00 0.00 H new ATOM 0 HG LEU A 180 79.649 14.470 9.697 1.00 0.00 H new ATOM 0 HD11 LEU A 180 81.970 15.145 10.292 1.00 0.00 H new ATOM 0 HD12 LEU A 180 81.733 13.393 10.489 1.00 0.00 H new ATOM 0 HD13 LEU A 180 82.605 14.018 9.070 1.00 0.00 H new ATOM 0 HD21 LEU A 180 80.754 16.384 8.535 1.00 0.00 H new ATOM 0 HD22 LEU A 180 81.357 15.267 7.287 1.00 0.00 H new ATOM 0 HD23 LEU A 180 79.608 15.549 7.459 1.00 0.00 H new ATOM 170 N LEU A 181 77.237 11.868 8.480 1.00 0.00 N ATOM 171 CA LEU A 181 75.759 12.211 8.572 1.00 0.00 C ATOM 172 C LEU A 181 75.033 11.679 9.836 1.00 0.00 C ATOM 173 O LEU A 181 74.135 12.329 10.333 1.00 0.00 O ATOM 174 CB LEU A 181 75.013 11.726 7.301 1.00 0.00 C ATOM 175 CG LEU A 181 75.819 10.596 6.649 1.00 0.00 C ATOM 176 CD1 LEU A 181 74.922 9.726 5.768 1.00 0.00 C ATOM 177 CD2 LEU A 181 76.962 11.181 5.800 1.00 0.00 C ATOM 0 H LEU A 181 77.487 11.307 7.666 1.00 0.00 H new ATOM 0 HA LEU A 181 75.730 13.298 8.652 1.00 0.00 H new ATOM 0 HB2 LEU A 181 74.015 11.374 7.562 1.00 0.00 H new ATOM 0 HB3 LEU A 181 74.887 12.551 6.600 1.00 0.00 H new ATOM 0 HG LEU A 181 76.237 9.977 7.443 1.00 0.00 H new ATOM 0 HD11 LEU A 181 75.516 8.931 5.316 1.00 0.00 H new ATOM 0 HD12 LEU A 181 74.131 9.287 6.376 1.00 0.00 H new ATOM 0 HD13 LEU A 181 74.479 10.339 4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 181 77.527 10.369 5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 181 76.546 11.819 5.020 1.00 0.00 H new ATOM 0 HD23 LEU A 181 77.623 11.770 6.436 1.00 0.00 H new ATOM 189 N LEU A 182 75.343 10.452 10.267 1.00 0.00 N ATOM 190 CA LEU A 182 74.575 9.811 11.405 1.00 0.00 C ATOM 191 C LEU A 182 74.619 10.596 12.735 1.00 0.00 C ATOM 192 O LEU A 182 73.608 10.677 13.394 1.00 0.00 O ATOM 193 CB LEU A 182 75.080 8.350 11.576 1.00 0.00 C ATOM 194 CG LEU A 182 74.442 7.605 12.777 1.00 0.00 C ATOM 195 CD1 LEU A 182 74.954 8.148 14.131 1.00 0.00 C ATOM 196 CD2 LEU A 182 72.908 7.679 12.708 1.00 0.00 C ATOM 0 H LEU A 182 76.090 9.877 9.878 1.00 0.00 H new ATOM 0 HA LEU A 182 73.519 9.821 11.135 1.00 0.00 H new ATOM 0 HB2 LEU A 182 74.871 7.794 10.662 1.00 0.00 H new ATOM 0 HB3 LEU A 182 76.163 8.362 11.701 1.00 0.00 H new ATOM 0 HG LEU A 182 74.745 6.560 12.710 1.00 0.00 H new ATOM 0 HD11 LEU A 182 74.482 7.598 14.945 1.00 0.00 H new ATOM 0 HD12 LEU A 182 76.035 8.023 14.188 1.00 0.00 H new ATOM 0 HD13 LEU A 182 74.706 9.206 14.216 1.00 0.00 H new ATOM 0 HD21 LEU A 182 72.480 7.150 13.559 1.00 0.00 H new ATOM 0 HD22 LEU A 182 72.593 8.722 12.732 1.00 0.00 H new ATOM 0 HD23 LEU A 182 72.563 7.217 11.783 1.00 0.00 H new ATOM 208 N PRO A 183 75.716 11.174 13.143 1.00 0.00 N ATOM 209 CA PRO A 183 75.770 11.962 14.415 1.00 0.00 C ATOM 210 C PRO A 183 75.265 13.442 14.366 1.00 0.00 C ATOM 211 O PRO A 183 75.124 14.028 15.420 1.00 0.00 O ATOM 212 CB PRO A 183 77.262 11.912 14.780 1.00 0.00 C ATOM 213 CG PRO A 183 77.980 11.821 13.469 1.00 0.00 C ATOM 214 CD PRO A 183 77.022 11.108 12.495 1.00 0.00 C ATOM 0 HA PRO A 183 75.081 11.526 15.139 1.00 0.00 H new ATOM 0 HB2 PRO A 183 77.563 12.802 15.334 1.00 0.00 H new ATOM 0 HB3 PRO A 183 77.485 11.053 15.412 1.00 0.00 H new ATOM 0 HG2 PRO A 183 78.241 12.813 13.100 1.00 0.00 H new ATOM 0 HG3 PRO A 183 78.911 11.265 13.574 1.00 0.00 H new ATOM 0 HD2 PRO A 183 77.007 11.601 11.523 1.00 0.00 H new ATOM 0 HD3 PRO A 183 77.327 10.076 12.324 1.00 0.00 H new ATOM 222 N ILE A 184 75.002 14.085 13.197 1.00 0.00 N ATOM 223 CA ILE A 184 74.542 15.516 13.270 1.00 0.00 C ATOM 224 C ILE A 184 73.112 15.640 13.839 1.00 0.00 C ATOM 225 O ILE A 184 72.813 16.604 14.509 1.00 0.00 O ATOM 226 CB ILE A 184 74.693 16.307 11.919 1.00 0.00 C ATOM 227 CG1 ILE A 184 75.589 15.569 10.911 1.00 0.00 C ATOM 228 CG2 ILE A 184 75.315 17.693 12.188 1.00 0.00 C ATOM 229 CD1 ILE A 184 76.945 15.220 11.531 1.00 0.00 C ATOM 0 H ILE A 184 75.087 13.686 12.262 1.00 0.00 H new ATOM 0 HA ILE A 184 75.225 15.995 13.972 1.00 0.00 H new ATOM 0 HB ILE A 184 73.693 16.402 11.495 1.00 0.00 H new ATOM 0 HG12 ILE A 184 75.093 14.658 10.578 1.00 0.00 H new ATOM 0 HG13 ILE A 184 75.738 16.191 10.029 1.00 0.00 H new ATOM 0 HG21 ILE A 184 75.417 18.235 11.248 1.00 0.00 H new ATOM 0 HG22 ILE A 184 74.671 18.256 12.864 1.00 0.00 H new ATOM 0 HG23 ILE A 184 76.298 17.569 12.643 1.00 0.00 H new ATOM 0 HD11 ILE A 184 77.558 14.699 10.796 1.00 0.00 H new ATOM 0 HD12 ILE A 184 77.450 16.135 11.841 1.00 0.00 H new ATOM 0 HD13 ILE A 184 76.794 14.577 12.398 1.00 0.00 H new ATOM 573 N GLY B 175 72.867 4.181 -1.949 1.00 0.00 N ATOM 574 CA GLY B 175 71.772 5.184 -1.959 1.00 0.00 C ATOM 575 C GLY B 175 71.309 5.529 -0.533 1.00 0.00 C ATOM 576 O GLY B 175 70.994 6.667 -0.252 1.00 0.00 O ATOM 0 HA2 GLY B 175 72.112 6.090 -2.461 1.00 0.00 H new ATOM 0 HA3 GLY B 175 70.929 4.798 -2.533 1.00 0.00 H new ATOM 580 N TRP B 176 71.223 4.522 0.350 1.00 0.00 N ATOM 581 CA TRP B 176 70.727 4.761 1.742 1.00 0.00 C ATOM 582 C TRP B 176 71.569 5.759 2.546 1.00 0.00 C ATOM 583 O TRP B 176 71.017 6.569 3.265 1.00 0.00 O ATOM 584 CB TRP B 176 70.680 3.430 2.495 1.00 0.00 C ATOM 585 CG TRP B 176 70.135 3.649 3.870 1.00 0.00 C ATOM 586 CD1 TRP B 176 70.840 3.503 5.016 1.00 0.00 C ATOM 587 CD2 TRP B 176 68.791 4.050 4.263 1.00 0.00 C ATOM 588 NE1 TRP B 176 70.013 3.787 6.087 1.00 0.00 N ATOM 589 CE2 TRP B 176 68.741 4.130 5.675 1.00 0.00 C ATOM 590 CE3 TRP B 176 67.623 4.348 3.539 1.00 0.00 C ATOM 591 CZ2 TRP B 176 67.571 4.495 6.345 1.00 0.00 C ATOM 592 CZ3 TRP B 176 66.444 4.714 4.210 1.00 0.00 C ATOM 593 CH2 TRP B 176 66.420 4.788 5.610 1.00 0.00 C ATOM 0 H TRP B 176 71.479 3.556 0.147 1.00 0.00 H new ATOM 0 HA TRP B 176 69.736 5.203 1.641 1.00 0.00 H new ATOM 0 HB2 TRP B 176 70.056 2.717 1.955 1.00 0.00 H new ATOM 0 HB3 TRP B 176 71.679 2.999 2.554 1.00 0.00 H new ATOM 0 HD1 TRP B 176 71.878 3.212 5.083 1.00 0.00 H new ATOM 0 HE1 TRP B 176 70.307 3.748 7.063 1.00 0.00 H new ATOM 0 HE3 TRP B 176 67.632 4.295 2.460 1.00 0.00 H new ATOM 0 HZ2 TRP B 176 67.556 4.550 7.423 1.00 0.00 H new ATOM 0 HZ3 TRP B 176 65.552 4.939 3.645 1.00 0.00 H new ATOM 0 HH2 TRP B 176 65.511 5.072 6.120 1.00 0.00 H new ATOM 604 N LEU B 177 72.898 5.709 2.438 1.00 0.00 N ATOM 605 CA LEU B 177 73.731 6.676 3.223 1.00 0.00 C ATOM 606 C LEU B 177 73.391 8.112 2.826 1.00 0.00 C ATOM 607 O LEU B 177 73.306 8.987 3.658 1.00 0.00 O ATOM 608 CB LEU B 177 75.261 6.402 3.108 1.00 0.00 C ATOM 609 CG LEU B 177 75.680 5.890 1.707 1.00 0.00 C ATOM 610 CD1 LEU B 177 75.905 7.063 0.727 1.00 0.00 C ATOM 611 CD2 LEU B 177 76.989 5.089 1.818 1.00 0.00 C ATOM 0 H LEU B 177 73.417 5.054 1.853 1.00 0.00 H new ATOM 0 HA LEU B 177 73.482 6.531 4.274 1.00 0.00 H new ATOM 0 HB2 LEU B 177 75.807 7.319 3.332 1.00 0.00 H new ATOM 0 HB3 LEU B 177 75.550 5.667 3.859 1.00 0.00 H new ATOM 0 HG LEU B 177 74.876 5.259 1.328 1.00 0.00 H new ATOM 0 HD11 LEU B 177 76.198 6.672 -0.247 1.00 0.00 H new ATOM 0 HD12 LEU B 177 74.983 7.635 0.626 1.00 0.00 H new ATOM 0 HD13 LEU B 177 76.693 7.711 1.110 1.00 0.00 H new ATOM 0 HD21 LEU B 177 77.281 4.730 0.831 1.00 0.00 H new ATOM 0 HD22 LEU B 177 77.775 5.730 2.218 1.00 0.00 H new ATOM 0 HD23 LEU B 177 76.840 4.239 2.484 1.00 0.00 H new ATOM 623 N SER B 178 73.190 8.318 1.538 1.00 0.00 N ATOM 624 CA SER B 178 72.844 9.669 0.989 1.00 0.00 C ATOM 625 C SER B 178 71.537 10.224 1.574 1.00 0.00 C ATOM 626 O SER B 178 71.424 11.396 1.820 1.00 0.00 O ATOM 627 CB SER B 178 72.750 9.618 -0.536 1.00 0.00 C ATOM 628 OG SER B 178 71.639 8.821 -0.920 1.00 0.00 O ATOM 0 H SER B 178 73.254 7.585 0.832 1.00 0.00 H new ATOM 0 HA SER B 178 73.647 10.344 1.284 1.00 0.00 H new ATOM 0 HB2 SER B 178 72.643 10.626 -0.937 1.00 0.00 H new ATOM 0 HB3 SER B 178 73.668 9.204 -0.953 1.00 0.00 H new ATOM 0 HG SER B 178 71.730 7.925 -0.534 1.00 0.00 H new ATOM 634 N LEU B 179 70.541 9.382 1.756 1.00 0.00 N ATOM 635 CA LEU B 179 69.228 9.868 2.282 1.00 0.00 C ATOM 636 C LEU B 179 69.382 10.517 3.667 1.00 0.00 C ATOM 637 O LEU B 179 68.726 11.496 3.964 1.00 0.00 O ATOM 638 CB LEU B 179 68.232 8.694 2.360 1.00 0.00 C ATOM 639 CG LEU B 179 67.580 8.450 0.982 1.00 0.00 C ATOM 640 CD1 LEU B 179 67.037 7.019 0.913 1.00 0.00 C ATOM 641 CD2 LEU B 179 66.417 9.432 0.752 1.00 0.00 C ATOM 0 H LEU B 179 70.585 8.382 1.562 1.00 0.00 H new ATOM 0 HA LEU B 179 68.849 10.627 1.597 1.00 0.00 H new ATOM 0 HB2 LEU B 179 68.748 7.792 2.690 1.00 0.00 H new ATOM 0 HB3 LEU B 179 67.462 8.910 3.101 1.00 0.00 H new ATOM 0 HG LEU B 179 68.337 8.602 0.213 1.00 0.00 H new ATOM 0 HD11 LEU B 179 66.578 6.851 -0.061 1.00 0.00 H new ATOM 0 HD12 LEU B 179 67.855 6.312 1.056 1.00 0.00 H new ATOM 0 HD13 LEU B 179 66.292 6.874 1.695 1.00 0.00 H new ATOM 0 HD21 LEU B 179 65.970 9.244 -0.224 1.00 0.00 H new ATOM 0 HD22 LEU B 179 65.664 9.293 1.528 1.00 0.00 H new ATOM 0 HD23 LEU B 179 66.792 10.455 0.789 1.00 0.00 H new ATOM 653 N LEU B 180 70.220 9.935 4.511 1.00 0.00 N ATOM 654 CA LEU B 180 70.421 10.446 5.904 1.00 0.00 C ATOM 655 C LEU B 180 70.934 11.901 5.972 1.00 0.00 C ATOM 656 O LEU B 180 70.531 12.629 6.849 1.00 0.00 O ATOM 657 CB LEU B 180 71.384 9.520 6.648 1.00 0.00 C ATOM 658 CG LEU B 180 71.231 9.658 8.165 1.00 0.00 C ATOM 659 CD1 LEU B 180 69.831 9.192 8.629 1.00 0.00 C ATOM 660 CD2 LEU B 180 72.319 8.807 8.840 1.00 0.00 C ATOM 0 H LEU B 180 70.779 9.113 4.281 1.00 0.00 H new ATOM 0 HA LEU B 180 69.439 10.452 6.378 1.00 0.00 H new ATOM 0 HB2 LEU B 180 71.198 8.487 6.354 1.00 0.00 H new ATOM 0 HB3 LEU B 180 72.410 9.753 6.361 1.00 0.00 H new ATOM 0 HG LEU B 180 71.339 10.706 8.444 1.00 0.00 H new ATOM 0 HD11 LEU B 180 69.751 9.301 9.711 1.00 0.00 H new ATOM 0 HD12 LEU B 180 69.066 9.800 8.145 1.00 0.00 H new ATOM 0 HD13 LEU B 180 69.688 8.146 8.359 1.00 0.00 H new ATOM 0 HD21 LEU B 180 72.227 8.892 9.923 1.00 0.00 H new ATOM 0 HD22 LEU B 180 72.200 7.764 8.546 1.00 0.00 H new ATOM 0 HD23 LEU B 180 73.302 9.161 8.530 1.00 0.00 H new ATOM 672 N LEU B 181 71.854 12.314 5.098 1.00 0.00 N ATOM 673 CA LEU B 181 72.384 13.731 5.155 1.00 0.00 C ATOM 674 C LEU B 181 71.291 14.819 4.950 1.00 0.00 C ATOM 675 O LEU B 181 71.341 15.858 5.577 1.00 0.00 O ATOM 676 CB LEU B 181 73.575 13.970 4.168 1.00 0.00 C ATOM 677 CG LEU B 181 73.528 13.050 2.921 1.00 0.00 C ATOM 678 CD1 LEU B 181 72.635 13.665 1.835 1.00 0.00 C ATOM 679 CD2 LEU B 181 74.950 12.888 2.359 1.00 0.00 C ATOM 0 H LEU B 181 72.252 11.734 4.359 1.00 0.00 H new ATOM 0 HA LEU B 181 72.756 13.838 6.174 1.00 0.00 H new ATOM 0 HB2 LEU B 181 73.567 15.011 3.844 1.00 0.00 H new ATOM 0 HB3 LEU B 181 74.515 13.808 4.696 1.00 0.00 H new ATOM 0 HG LEU B 181 73.121 12.082 3.214 1.00 0.00 H new ATOM 0 HD11 LEU B 181 72.613 13.007 0.966 1.00 0.00 H new ATOM 0 HD12 LEU B 181 71.624 13.789 2.222 1.00 0.00 H new ATOM 0 HD13 LEU B 181 73.033 14.637 1.544 1.00 0.00 H new ATOM 0 HD21 LEU B 181 74.923 12.242 1.482 1.00 0.00 H new ATOM 0 HD22 LEU B 181 75.344 13.865 2.078 1.00 0.00 H new ATOM 0 HD23 LEU B 181 75.593 12.442 3.118 1.00 0.00 H new ATOM 691 N LEU B 182 70.355 14.589 4.022 1.00 0.00 N ATOM 692 CA LEU B 182 69.286 15.611 3.685 1.00 0.00 C ATOM 693 C LEU B 182 68.358 16.029 4.856 1.00 0.00 C ATOM 694 O LEU B 182 68.064 17.201 4.981 1.00 0.00 O ATOM 695 CB LEU B 182 68.444 15.042 2.520 1.00 0.00 C ATOM 696 CG LEU B 182 67.336 16.014 2.044 1.00 0.00 C ATOM 697 CD1 LEU B 182 66.156 16.078 3.045 1.00 0.00 C ATOM 698 CD2 LEU B 182 67.923 17.417 1.816 1.00 0.00 C ATOM 0 H LEU B 182 70.293 13.725 3.483 1.00 0.00 H new ATOM 0 HA LEU B 182 69.807 16.531 3.419 1.00 0.00 H new ATOM 0 HB2 LEU B 182 69.102 14.811 1.682 1.00 0.00 H new ATOM 0 HB3 LEU B 182 67.987 14.104 2.834 1.00 0.00 H new ATOM 0 HG LEU B 182 66.944 15.632 1.101 1.00 0.00 H new ATOM 0 HD11 LEU B 182 65.401 16.771 2.674 1.00 0.00 H new ATOM 0 HD12 LEU B 182 65.717 15.086 3.153 1.00 0.00 H new ATOM 0 HD13 LEU B 182 66.519 16.422 4.014 1.00 0.00 H new ATOM 0 HD21 LEU B 182 67.135 18.091 1.482 1.00 0.00 H new ATOM 0 HD22 LEU B 182 68.348 17.789 2.748 1.00 0.00 H new ATOM 0 HD23 LEU B 182 68.703 17.366 1.056 1.00 0.00 H new ATOM 710 N PRO B 183 67.912 15.147 5.719 1.00 0.00 N ATOM 711 CA PRO B 183 67.043 15.527 6.887 1.00 0.00 C ATOM 712 C PRO B 183 67.674 16.460 7.957 1.00 0.00 C ATOM 713 O PRO B 183 66.933 17.190 8.586 1.00 0.00 O ATOM 714 CB PRO B 183 66.647 14.169 7.503 1.00 0.00 C ATOM 715 CG PRO B 183 67.725 13.241 7.072 1.00 0.00 C ATOM 716 CD PRO B 183 68.102 13.697 5.666 1.00 0.00 C ATOM 0 HA PRO B 183 66.212 16.135 6.531 1.00 0.00 H new ATOM 0 HB2 PRO B 183 66.584 14.228 8.590 1.00 0.00 H new ATOM 0 HB3 PRO B 183 65.672 13.839 7.145 1.00 0.00 H new ATOM 0 HG2 PRO B 183 68.581 13.291 7.745 1.00 0.00 H new ATOM 0 HG3 PRO B 183 67.379 12.207 7.072 1.00 0.00 H new ATOM 0 HD2 PRO B 183 69.131 13.435 5.421 1.00 0.00 H new ATOM 0 HD3 PRO B 183 67.467 13.236 4.910 1.00 0.00 H new ATOM 724 N ILE B 184 69.009 16.473 8.205 1.00 0.00 N ATOM 725 CA ILE B 184 69.510 17.401 9.262 1.00 0.00 C ATOM 726 C ILE B 184 69.393 18.865 8.794 1.00 0.00 C ATOM 727 O ILE B 184 68.888 19.688 9.531 1.00 0.00 O ATOM 728 CB ILE B 184 70.934 17.022 9.782 1.00 0.00 C ATOM 729 CG1 ILE B 184 70.945 15.526 10.207 1.00 0.00 C ATOM 730 CG2 ILE B 184 71.278 17.917 11.011 1.00 0.00 C ATOM 731 CD1 ILE B 184 71.481 14.650 9.062 1.00 0.00 C ATOM 0 H ILE B 184 69.712 15.903 7.734 1.00 0.00 H new ATOM 0 HA ILE B 184 68.867 17.291 10.135 1.00 0.00 H new ATOM 0 HB ILE B 184 71.672 17.179 8.995 1.00 0.00 H new ATOM 0 HG12 ILE B 184 71.566 15.397 11.094 1.00 0.00 H new ATOM 0 HG13 ILE B 184 69.937 15.210 10.475 1.00 0.00 H new ATOM 0 HG21 ILE B 184 72.270 17.660 11.382 1.00 0.00 H new ATOM 0 HG22 ILE B 184 71.262 18.965 10.713 1.00 0.00 H new ATOM 0 HG23 ILE B 184 70.543 17.752 11.798 1.00 0.00 H new ATOM 0 HD11 ILE B 184 71.483 13.605 9.373 1.00 0.00 H new ATOM 0 HD12 ILE B 184 70.843 14.766 8.186 1.00 0.00 H new ATOM 0 HD13 ILE B 184 72.497 14.957 8.814 1.00 0.00 H new ATOM 743 N PRO B 185 69.787 19.200 7.579 1.00 0.00 N ATOM 744 CA PRO B 185 69.634 20.590 7.047 1.00 0.00 C ATOM 745 C PRO B 185 68.293 21.229 7.424 1.00 0.00 C ATOM 746 O PRO B 185 68.140 22.427 7.349 1.00 0.00 O ATOM 747 CB PRO B 185 69.732 20.405 5.528 1.00 0.00 C ATOM 748 CG PRO B 185 70.616 19.214 5.337 1.00 0.00 C ATOM 749 CD PRO B 185 70.435 18.321 6.577 1.00 0.00 C ATOM 0 HA PRO B 185 70.387 21.262 7.460 1.00 0.00 H new ATOM 0 HB2 PRO B 185 68.749 20.241 5.087 1.00 0.00 H new ATOM 0 HB3 PRO B 185 70.153 21.289 5.049 1.00 0.00 H new ATOM 0 HG2 PRO B 185 70.346 18.674 4.429 1.00 0.00 H new ATOM 0 HG3 PRO B 185 71.657 19.519 5.229 1.00 0.00 H new ATOM 0 HD2 PRO B 185 69.816 17.452 6.353 1.00 0.00 H new ATOM 0 HD3 PRO B 185 71.392 17.946 6.939 1.00 0.00 H new ATOM 1075 N GLY C 175 79.665 12.420 -5.980 1.00 0.00 N ATOM 1076 CA GLY C 175 80.401 13.402 -5.139 1.00 0.00 C ATOM 1077 C GLY C 175 79.451 14.398 -4.460 1.00 0.00 C ATOM 1078 O GLY C 175 79.679 14.784 -3.330 1.00 0.00 O ATOM 0 HA2 GLY C 175 80.975 12.871 -4.379 1.00 0.00 H new ATOM 0 HA3 GLY C 175 81.116 13.945 -5.757 1.00 0.00 H new ATOM 1082 N TRP C 176 78.414 14.850 -5.173 1.00 0.00 N ATOM 1083 CA TRP C 176 77.479 15.865 -4.600 1.00 0.00 C ATOM 1084 C TRP C 176 76.780 15.387 -3.322 1.00 0.00 C ATOM 1085 O TRP C 176 76.630 16.159 -2.396 1.00 0.00 O ATOM 1086 CB TRP C 176 76.415 16.213 -5.643 1.00 0.00 C ATOM 1087 CG TRP C 176 75.610 17.380 -5.169 1.00 0.00 C ATOM 1088 CD1 TRP C 176 76.111 18.603 -4.879 1.00 0.00 C ATOM 1089 CD2 TRP C 176 74.175 17.456 -4.928 1.00 0.00 C ATOM 1090 NE1 TRP C 176 75.074 19.426 -4.478 1.00 0.00 N ATOM 1091 CE2 TRP C 176 73.862 18.764 -4.490 1.00 0.00 C ATOM 1092 CE3 TRP C 176 73.127 16.526 -5.046 1.00 0.00 C ATOM 1093 CZ2 TRP C 176 72.554 19.138 -4.180 1.00 0.00 C ATOM 1094 CZ3 TRP C 176 71.808 16.898 -4.735 1.00 0.00 C ATOM 1095 CH2 TRP C 176 71.522 18.201 -4.303 1.00 0.00 C ATOM 0 H TRP C 176 78.192 14.549 -6.122 1.00 0.00 H new ATOM 0 HA TRP C 176 78.079 16.736 -4.336 1.00 0.00 H new ATOM 0 HB2 TRP C 176 76.889 16.448 -6.596 1.00 0.00 H new ATOM 0 HB3 TRP C 176 75.765 15.355 -5.814 1.00 0.00 H new ATOM 0 HD1 TRP C 176 77.150 18.890 -4.949 1.00 0.00 H new ATOM 0 HE1 TRP C 176 75.190 20.402 -4.207 1.00 0.00 H new ATOM 0 HE3 TRP C 176 73.337 15.520 -5.378 1.00 0.00 H new ATOM 0 HZ2 TRP C 176 72.340 20.143 -3.848 1.00 0.00 H new ATOM 0 HZ3 TRP C 176 71.010 16.176 -4.829 1.00 0.00 H new ATOM 0 HH2 TRP C 176 70.506 18.481 -4.065 1.00 0.00 H new ATOM 1106 N LEU C 177 76.357 14.123 -3.259 1.00 0.00 N ATOM 1107 CA LEU C 177 75.678 13.637 -2.016 1.00 0.00 C ATOM 1108 C LEU C 177 76.620 13.768 -0.828 1.00 0.00 C ATOM 1109 O LEU C 177 76.225 14.152 0.249 1.00 0.00 O ATOM 1110 CB LEU C 177 75.183 12.183 -2.184 1.00 0.00 C ATOM 1111 CG LEU C 177 76.331 11.147 -2.017 1.00 0.00 C ATOM 1112 CD1 LEU C 177 76.454 10.665 -0.556 1.00 0.00 C ATOM 1113 CD2 LEU C 177 76.053 9.927 -2.907 1.00 0.00 C ATOM 0 H LEU C 177 76.456 13.433 -4.004 1.00 0.00 H new ATOM 0 HA LEU C 177 74.800 14.256 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU C 177 74.403 11.980 -1.450 1.00 0.00 H new ATOM 0 HB3 LEU C 177 74.732 12.067 -3.169 1.00 0.00 H new ATOM 0 HG LEU C 177 77.262 11.636 -2.305 1.00 0.00 H new ATOM 0 HD11 LEU C 177 77.266 9.942 -0.478 1.00 0.00 H new ATOM 0 HD12 LEU C 177 76.663 11.516 0.092 1.00 0.00 H new ATOM 0 HD13 LEU C 177 75.520 10.195 -0.248 1.00 0.00 H new ATOM 0 HD21 LEU C 177 76.857 9.201 -2.790 1.00 0.00 H new ATOM 0 HD22 LEU C 177 75.107 9.471 -2.614 1.00 0.00 H new ATOM 0 HD23 LEU C 177 75.997 10.242 -3.949 1.00 0.00 H new ATOM 1125 N SER C 178 77.877 13.447 -1.072 1.00 0.00 N ATOM 1126 CA SER C 178 78.945 13.521 -0.030 1.00 0.00 C ATOM 1127 C SER C 178 79.105 14.942 0.520 1.00 0.00 C ATOM 1128 O SER C 178 79.368 15.122 1.672 1.00 0.00 O ATOM 1129 CB SER C 178 80.278 12.985 -0.558 1.00 0.00 C ATOM 1130 OG SER C 178 80.995 14.037 -1.191 1.00 0.00 O ATOM 0 H SER C 178 78.209 13.128 -1.982 1.00 0.00 H new ATOM 0 HA SER C 178 78.630 12.883 0.796 1.00 0.00 H new ATOM 0 HB2 SER C 178 80.866 12.572 0.261 1.00 0.00 H new ATOM 0 HB3 SER C 178 80.102 12.174 -1.265 1.00 0.00 H new ATOM 0 HG SER C 178 80.414 14.483 -1.842 1.00 0.00 H new ATOM 1136 N LEU C 179 79.008 15.931 -0.347 1.00 0.00 N ATOM 1137 CA LEU C 179 79.185 17.373 0.042 1.00 0.00 C ATOM 1138 C LEU C 179 78.175 17.845 1.110 1.00 0.00 C ATOM 1139 O LEU C 179 78.508 18.655 1.951 1.00 0.00 O ATOM 1140 CB LEU C 179 79.059 18.254 -1.209 1.00 0.00 C ATOM 1141 CG LEU C 179 79.248 19.740 -0.859 1.00 0.00 C ATOM 1142 CD1 LEU C 179 80.611 19.964 -0.182 1.00 0.00 C ATOM 1143 CD2 LEU C 179 79.176 20.563 -2.150 1.00 0.00 C ATOM 0 H LEU C 179 78.807 15.792 -1.337 1.00 0.00 H new ATOM 0 HA LEU C 179 80.177 17.465 0.485 1.00 0.00 H new ATOM 0 HB2 LEU C 179 79.803 17.953 -1.946 1.00 0.00 H new ATOM 0 HB3 LEU C 179 78.080 18.106 -1.665 1.00 0.00 H new ATOM 0 HG LEU C 179 78.463 20.051 -0.169 1.00 0.00 H new ATOM 0 HD11 LEU C 179 80.728 21.021 0.059 1.00 0.00 H new ATOM 0 HD12 LEU C 179 80.664 19.375 0.734 1.00 0.00 H new ATOM 0 HD13 LEU C 179 81.408 19.655 -0.858 1.00 0.00 H new ATOM 0 HD21 LEU C 179 79.309 21.619 -1.916 1.00 0.00 H new ATOM 0 HD22 LEU C 179 79.963 20.241 -2.831 1.00 0.00 H new ATOM 0 HD23 LEU C 179 78.205 20.415 -2.622 1.00 0.00 H new ATOM 1155 N LEU C 180 76.930 17.396 1.008 1.00 0.00 N ATOM 1156 CA LEU C 180 75.830 17.859 1.927 1.00 0.00 C ATOM 1157 C LEU C 180 76.087 17.588 3.421 1.00 0.00 C ATOM 1158 O LEU C 180 75.695 18.376 4.237 1.00 0.00 O ATOM 1159 CB LEU C 180 74.512 17.178 1.539 1.00 0.00 C ATOM 1160 CG LEU C 180 73.322 17.958 2.121 1.00 0.00 C ATOM 1161 CD1 LEU C 180 73.167 19.328 1.420 1.00 0.00 C ATOM 1162 CD2 LEU C 180 72.039 17.132 1.949 1.00 0.00 C ATOM 0 H LEU C 180 76.631 16.715 0.310 1.00 0.00 H new ATOM 0 HA LEU C 180 75.786 18.941 1.802 1.00 0.00 H new ATOM 0 HB2 LEU C 180 74.427 17.126 0.454 1.00 0.00 H new ATOM 0 HB3 LEU C 180 74.501 16.153 1.909 1.00 0.00 H new ATOM 0 HG LEU C 180 73.503 18.137 3.181 1.00 0.00 H new ATOM 0 HD11 LEU C 180 72.319 19.862 1.848 1.00 0.00 H new ATOM 0 HD12 LEU C 180 74.075 19.915 1.563 1.00 0.00 H new ATOM 0 HD13 LEU C 180 72.998 19.174 0.354 1.00 0.00 H new ATOM 0 HD21 LEU C 180 71.194 17.683 2.361 1.00 0.00 H new ATOM 0 HD22 LEU C 180 71.867 16.943 0.889 1.00 0.00 H new ATOM 0 HD23 LEU C 180 72.144 16.183 2.474 1.00 0.00 H new ATOM 1174 N LEU C 181 76.654 16.450 3.770 1.00 0.00 N ATOM 1175 CA LEU C 181 76.902 16.094 5.224 1.00 0.00 C ATOM 1176 C LEU C 181 77.828 17.070 5.986 1.00 0.00 C ATOM 1177 O LEU C 181 77.652 17.289 7.168 1.00 0.00 O ATOM 1178 CB LEU C 181 77.542 14.691 5.302 1.00 0.00 C ATOM 1179 CG LEU C 181 78.701 14.579 4.260 1.00 0.00 C ATOM 1180 CD1 LEU C 181 80.090 14.679 4.910 1.00 0.00 C ATOM 1181 CD2 LEU C 181 78.619 13.244 3.517 1.00 0.00 C ATOM 0 H LEU C 181 76.961 15.740 3.105 1.00 0.00 H new ATOM 0 HA LEU C 181 75.923 16.143 5.702 1.00 0.00 H new ATOM 0 HB2 LEU C 181 77.925 14.511 6.306 1.00 0.00 H new ATOM 0 HB3 LEU C 181 76.790 13.927 5.106 1.00 0.00 H new ATOM 0 HG LEU C 181 78.578 15.416 3.573 1.00 0.00 H new ATOM 0 HD11 LEU C 181 80.858 14.595 4.141 1.00 0.00 H new ATOM 0 HD12 LEU C 181 80.187 15.639 5.416 1.00 0.00 H new ATOM 0 HD13 LEU C 181 80.212 13.873 5.634 1.00 0.00 H new ATOM 0 HD21 LEU C 181 79.432 13.179 2.794 1.00 0.00 H new ATOM 0 HD22 LEU C 181 78.702 12.425 4.231 1.00 0.00 H new ATOM 0 HD23 LEU C 181 77.664 13.176 2.996 1.00 0.00 H new ATOM 1193 N LEU C 182 78.883 17.528 5.320 1.00 0.00 N ATOM 1194 CA LEU C 182 79.951 18.368 6.004 1.00 0.00 C ATOM 1195 C LEU C 182 79.450 19.688 6.629 1.00 0.00 C ATOM 1196 O LEU C 182 79.904 20.050 7.693 1.00 0.00 O ATOM 1197 CB LEU C 182 81.143 18.624 5.005 1.00 0.00 C ATOM 1198 CG LEU C 182 81.567 20.110 4.927 1.00 0.00 C ATOM 1199 CD1 LEU C 182 82.135 20.600 6.283 1.00 0.00 C ATOM 1200 CD2 LEU C 182 82.629 20.251 3.822 1.00 0.00 C ATOM 0 H LEU C 182 79.051 17.356 4.329 1.00 0.00 H new ATOM 0 HA LEU C 182 80.291 17.783 6.858 1.00 0.00 H new ATOM 0 HB2 LEU C 182 82.000 18.024 5.311 1.00 0.00 H new ATOM 0 HB3 LEU C 182 80.854 18.283 4.011 1.00 0.00 H new ATOM 0 HG LEU C 182 80.697 20.725 4.696 1.00 0.00 H new ATOM 0 HD11 LEU C 182 82.425 21.647 6.199 1.00 0.00 H new ATOM 0 HD12 LEU C 182 81.373 20.495 7.056 1.00 0.00 H new ATOM 0 HD13 LEU C 182 83.007 20.003 6.549 1.00 0.00 H new ATOM 0 HD21 LEU C 182 82.943 21.292 3.750 1.00 0.00 H new ATOM 0 HD22 LEU C 182 83.490 19.629 4.064 1.00 0.00 H new ATOM 0 HD23 LEU C 182 82.207 19.932 2.869 1.00 0.00 H new ATOM 1212 N PRO C 183 78.573 20.406 5.998 1.00 0.00 N ATOM 1213 CA PRO C 183 78.043 21.704 6.529 1.00 0.00 C ATOM 1214 C PRO C 183 76.948 21.661 7.643 1.00 0.00 C ATOM 1215 O PRO C 183 76.728 22.689 8.251 1.00 0.00 O ATOM 1216 CB PRO C 183 77.483 22.413 5.263 1.00 0.00 C ATOM 1217 CG PRO C 183 77.773 21.499 4.103 1.00 0.00 C ATOM 1218 CD PRO C 183 78.024 20.115 4.692 1.00 0.00 C ATOM 0 HA PRO C 183 78.856 22.207 7.052 1.00 0.00 H new ATOM 0 HB2 PRO C 183 76.412 22.591 5.359 1.00 0.00 H new ATOM 0 HB3 PRO C 183 77.956 23.384 5.120 1.00 0.00 H new ATOM 0 HG2 PRO C 183 76.934 21.478 3.407 1.00 0.00 H new ATOM 0 HG3 PRO C 183 78.642 21.846 3.544 1.00 0.00 H new ATOM 0 HD2 PRO C 183 77.104 19.534 4.762 1.00 0.00 H new ATOM 0 HD3 PRO C 183 78.719 19.538 4.082 1.00 0.00 H new ATOM 1226 N ILE C 184 76.216 20.550 7.916 1.00 0.00 N ATOM 1227 CA ILE C 184 75.154 20.660 8.973 1.00 0.00 C ATOM 1228 C ILE C 184 75.734 20.802 10.395 1.00 0.00 C ATOM 1229 O ILE C 184 75.159 21.484 11.219 1.00 0.00 O ATOM 1230 CB ILE C 184 74.082 19.521 8.899 1.00 0.00 C ATOM 1231 CG1 ILE C 184 74.288 18.602 7.671 1.00 0.00 C ATOM 1232 CG2 ILE C 184 72.687 20.158 8.845 1.00 0.00 C ATOM 1233 CD1 ILE C 184 74.189 19.370 6.344 1.00 0.00 C ATOM 0 H ILE C 184 76.318 19.639 7.469 1.00 0.00 H new ATOM 0 HA ILE C 184 74.631 21.590 8.748 1.00 0.00 H new ATOM 0 HB ILE C 184 74.186 18.897 9.787 1.00 0.00 H new ATOM 0 HG12 ILE C 184 75.265 18.123 7.739 1.00 0.00 H new ATOM 0 HG13 ILE C 184 73.541 17.808 7.685 1.00 0.00 H new ATOM 0 HG21 ILE C 184 71.931 19.374 8.793 1.00 0.00 H new ATOM 0 HG22 ILE C 184 72.526 20.759 9.740 1.00 0.00 H new ATOM 0 HG23 ILE C 184 72.611 20.794 7.963 1.00 0.00 H new ATOM 0 HD11 ILE C 184 74.341 18.681 5.513 1.00 0.00 H new ATOM 0 HD12 ILE C 184 73.203 19.827 6.261 1.00 0.00 H new ATOM 0 HD13 ILE C 184 74.953 20.147 6.315 1.00 0.00 H new