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 83:sc= 0.51 USER MOD Single : B 178 SER OG : rot -76:sc= 0.509 USER MOD Single : C 178 SER OG : rot -74:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 52 N LEU A 174 85.903 6.831 1.059 1.00 0.00 N ATOM 53 CA LEU A 174 84.447 6.861 0.744 1.00 0.00 C ATOM 54 C LEU A 174 83.628 6.599 2.001 1.00 0.00 C ATOM 55 O LEU A 174 82.609 7.217 2.221 1.00 0.00 O ATOM 56 CB LEU A 174 84.121 5.798 -0.314 1.00 0.00 C ATOM 57 CG LEU A 174 82.688 5.995 -0.848 1.00 0.00 C ATOM 58 CD1 LEU A 174 82.663 7.078 -1.935 1.00 0.00 C ATOM 59 CD2 LEU A 174 82.180 4.679 -1.449 1.00 0.00 C ATOM 0 HA LEU A 174 84.194 7.848 0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 174 84.834 5.862 -1.136 1.00 0.00 H new ATOM 0 HB3 LEU A 174 84.222 4.802 0.118 1.00 0.00 H new ATOM 0 HG LEU A 174 82.049 6.303 -0.020 1.00 0.00 H new ATOM 0 HD11 LEU A 174 81.644 7.203 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 174 83.018 8.021 -1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 174 83.310 6.780 -2.760 1.00 0.00 H new ATOM 0 HD21 LEU A 174 81.167 4.818 -1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 174 82.834 4.376 -2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 174 82.178 3.905 -0.681 1.00 0.00 H new ATOM 71 N GLY A 175 84.102 5.672 2.817 1.00 0.00 N ATOM 72 CA GLY A 175 83.403 5.319 4.082 1.00 0.00 C ATOM 73 C GLY A 175 83.288 6.528 5.018 1.00 0.00 C ATOM 74 O GLY A 175 82.287 6.693 5.686 1.00 0.00 O ATOM 0 H GLY A 175 84.958 5.144 2.646 1.00 0.00 H new ATOM 0 HA2 GLY A 175 82.407 4.938 3.854 1.00 0.00 H new ATOM 0 HA3 GLY A 175 83.943 4.518 4.586 1.00 0.00 H new ATOM 78 N TRP A 176 84.345 7.347 5.091 1.00 0.00 N ATOM 79 CA TRP A 176 84.342 8.523 6.012 1.00 0.00 C ATOM 80 C TRP A 176 83.214 9.511 5.708 1.00 0.00 C ATOM 81 O TRP A 176 82.611 10.038 6.621 1.00 0.00 O ATOM 82 CB TRP A 176 85.688 9.252 5.920 1.00 0.00 C ATOM 83 CG TRP A 176 85.854 10.154 7.103 1.00 0.00 C ATOM 84 CD1 TRP A 176 85.567 11.477 7.119 1.00 0.00 C ATOM 85 CD2 TRP A 176 86.338 9.823 8.435 1.00 0.00 C ATOM 86 NE1 TRP A 176 85.843 11.977 8.379 1.00 0.00 N ATOM 87 CE2 TRP A 176 86.322 10.997 9.226 1.00 0.00 C ATOM 88 CE3 TRP A 176 86.786 8.630 9.030 1.00 0.00 C ATOM 89 CZ2 TRP A 176 86.734 10.987 10.558 1.00 0.00 C ATOM 90 CZ3 TRP A 176 87.202 8.615 10.371 1.00 0.00 C ATOM 91 CH2 TRP A 176 87.176 9.793 11.134 1.00 0.00 C ATOM 0 H TRP A 176 85.199 7.234 4.545 1.00 0.00 H new ATOM 0 HA TRP A 176 84.178 8.139 7.019 1.00 0.00 H new ATOM 0 HB2 TRP A 176 86.503 8.529 5.885 1.00 0.00 H new ATOM 0 HB3 TRP A 176 85.736 9.832 4.998 1.00 0.00 H new ATOM 0 HD1 TRP A 176 85.185 12.048 6.285 1.00 0.00 H new ATOM 0 HE1 TRP A 176 85.709 12.951 8.650 1.00 0.00 H new ATOM 0 HE3 TRP A 176 86.810 7.719 8.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 176 86.712 11.896 11.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 176 87.544 7.693 10.818 1.00 0.00 H new ATOM 0 HH2 TRP A 176 87.497 9.777 12.165 1.00 0.00 H new ATOM 102 N LEU A 177 82.928 9.770 4.432 1.00 0.00 N ATOM 103 CA LEU A 177 81.836 10.736 4.106 1.00 0.00 C ATOM 104 C LEU A 177 80.514 10.236 4.691 1.00 0.00 C ATOM 105 O LEU A 177 79.743 10.995 5.233 1.00 0.00 O ATOM 106 CB LEU A 177 81.752 10.964 2.577 1.00 0.00 C ATOM 107 CG LEU A 177 80.937 9.851 1.868 1.00 0.00 C ATOM 108 CD1 LEU A 177 79.440 10.228 1.793 1.00 0.00 C ATOM 109 CD2 LEU A 177 81.478 9.641 0.442 1.00 0.00 C ATOM 0 H LEU A 177 83.402 9.356 3.629 1.00 0.00 H new ATOM 0 HA LEU A 177 82.055 11.703 4.559 1.00 0.00 H new ATOM 0 HB2 LEU A 177 81.292 11.932 2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 177 82.758 10.998 2.160 1.00 0.00 H new ATOM 0 HG LEU A 177 81.039 8.932 2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 177 78.889 9.432 1.292 1.00 0.00 H new ATOM 0 HD12 LEU A 177 79.048 10.362 2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 177 79.326 11.156 1.233 1.00 0.00 H new ATOM 0 HD21 LEU A 177 80.903 8.858 -0.054 1.00 0.00 H new ATOM 0 HD22 LEU A 177 81.388 10.570 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 177 82.526 9.346 0.490 1.00 0.00 H new ATOM 121 N SER A 178 80.301 8.935 4.591 1.00 0.00 N ATOM 122 CA SER A 178 79.067 8.279 5.137 1.00 0.00 C ATOM 123 C SER A 178 78.943 8.493 6.657 1.00 0.00 C ATOM 124 O SER A 178 77.869 8.659 7.169 1.00 0.00 O ATOM 125 CB SER A 178 79.056 6.773 4.787 1.00 0.00 C ATOM 126 OG SER A 178 80.111 6.503 3.873 1.00 0.00 O ATOM 0 H SER A 178 80.951 8.290 4.142 1.00 0.00 H new ATOM 0 HA SER A 178 78.201 8.748 4.669 1.00 0.00 H new ATOM 0 HB2 SER A 178 79.178 6.176 5.690 1.00 0.00 H new ATOM 0 HB3 SER A 178 78.098 6.495 4.348 1.00 0.00 H new ATOM 0 HG SER A 178 80.950 6.388 4.366 1.00 0.00 H new ATOM 132 N LEU A 179 80.059 8.423 7.360 1.00 0.00 N ATOM 133 CA LEU A 179 80.077 8.573 8.854 1.00 0.00 C ATOM 134 C LEU A 179 79.539 9.928 9.358 1.00 0.00 C ATOM 135 O LEU A 179 78.914 9.985 10.398 1.00 0.00 O ATOM 136 CB LEU A 179 81.509 8.384 9.368 1.00 0.00 C ATOM 137 CG LEU A 179 81.500 8.080 10.883 1.00 0.00 C ATOM 138 CD1 LEU A 179 81.294 6.577 11.125 1.00 0.00 C ATOM 139 CD2 LEU A 179 82.837 8.502 11.501 1.00 0.00 C ATOM 0 H LEU A 179 80.978 8.264 6.946 1.00 0.00 H new ATOM 0 HA LEU A 179 79.407 7.807 9.243 1.00 0.00 H new ATOM 0 HB2 LEU A 179 81.991 7.568 8.829 1.00 0.00 H new ATOM 0 HB3 LEU A 179 82.094 9.283 9.174 1.00 0.00 H new ATOM 0 HG LEU A 179 80.683 8.636 11.343 1.00 0.00 H new ATOM 0 HD11 LEU A 179 81.290 6.378 12.197 1.00 0.00 H new ATOM 0 HD12 LEU A 179 80.342 6.266 10.695 1.00 0.00 H new ATOM 0 HD13 LEU A 179 82.104 6.019 10.655 1.00 0.00 H new ATOM 0 HD21 LEU A 179 82.828 8.287 12.569 1.00 0.00 H new ATOM 0 HD22 LEU A 179 83.648 7.950 11.026 1.00 0.00 H new ATOM 0 HD23 LEU A 179 82.988 9.571 11.348 1.00 0.00 H new ATOM 151 N LEU A 180 79.862 11.014 8.662 1.00 0.00 N ATOM 152 CA LEU A 180 79.473 12.391 9.125 1.00 0.00 C ATOM 153 C LEU A 180 77.960 12.614 9.279 1.00 0.00 C ATOM 154 O LEU A 180 77.555 13.318 10.178 1.00 0.00 O ATOM 155 CB LEU A 180 80.028 13.459 8.171 1.00 0.00 C ATOM 156 CG LEU A 180 80.056 14.829 8.873 1.00 0.00 C ATOM 157 CD1 LEU A 180 81.109 14.848 10.004 1.00 0.00 C ATOM 158 CD2 LEU A 180 80.373 15.929 7.848 1.00 0.00 C ATOM 0 H LEU A 180 80.384 10.995 7.786 1.00 0.00 H new ATOM 0 HA LEU A 180 79.910 12.481 10.119 1.00 0.00 H new ATOM 0 HB2 LEU A 180 81.033 13.185 7.850 1.00 0.00 H new ATOM 0 HB3 LEU A 180 79.411 13.513 7.274 1.00 0.00 H new ATOM 0 HG LEU A 180 79.076 15.011 9.314 1.00 0.00 H new ATOM 0 HD11 LEU A 180 81.109 15.826 10.484 1.00 0.00 H new ATOM 0 HD12 LEU A 180 80.866 14.082 10.741 1.00 0.00 H new ATOM 0 HD13 LEU A 180 82.096 14.649 9.586 1.00 0.00 H new ATOM 0 HD21 LEU A 180 80.392 16.897 8.348 1.00 0.00 H new ATOM 0 HD22 LEU A 180 81.345 15.735 7.395 1.00 0.00 H new ATOM 0 HD23 LEU A 180 79.607 15.936 7.073 1.00 0.00 H new ATOM 170 N LEU A 181 77.135 12.093 8.384 1.00 0.00 N ATOM 171 CA LEU A 181 75.647 12.331 8.486 1.00 0.00 C ATOM 172 C LEU A 181 75.005 11.799 9.794 1.00 0.00 C ATOM 173 O LEU A 181 74.107 12.420 10.319 1.00 0.00 O ATOM 174 CB LEU A 181 74.908 11.731 7.262 1.00 0.00 C ATOM 175 CG LEU A 181 75.821 10.743 6.520 1.00 0.00 C ATOM 176 CD1 LEU A 181 74.978 9.769 5.707 1.00 0.00 C ATOM 177 CD2 LEU A 181 76.751 11.491 5.565 1.00 0.00 C ATOM 0 H LEU A 181 77.426 11.518 7.594 1.00 0.00 H new ATOM 0 HA LEU A 181 75.531 13.415 8.503 1.00 0.00 H new ATOM 0 HB2 LEU A 181 74.001 11.223 7.589 1.00 0.00 H new ATOM 0 HB3 LEU A 181 74.600 12.530 6.587 1.00 0.00 H new ATOM 0 HG LEU A 181 76.412 10.203 7.260 1.00 0.00 H new ATOM 0 HD11 LEU A 181 75.632 9.071 5.183 1.00 0.00 H new ATOM 0 HD12 LEU A 181 74.317 9.216 6.374 1.00 0.00 H new ATOM 0 HD13 LEU A 181 74.382 10.322 4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 181 77.391 10.777 5.047 1.00 0.00 H new ATOM 0 HD22 LEU A 181 76.157 12.042 4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 181 77.369 12.189 6.131 1.00 0.00 H new ATOM 189 N LEU A 182 75.419 10.617 10.265 1.00 0.00 N ATOM 190 CA LEU A 182 74.779 9.999 11.489 1.00 0.00 C ATOM 191 C LEU A 182 74.882 10.854 12.782 1.00 0.00 C ATOM 192 O LEU A 182 73.918 10.930 13.511 1.00 0.00 O ATOM 193 CB LEU A 182 75.408 8.603 11.702 1.00 0.00 C ATOM 194 CG LEU A 182 74.830 7.863 12.934 1.00 0.00 C ATOM 195 CD1 LEU A 182 75.348 8.464 14.263 1.00 0.00 C ATOM 196 CD2 LEU A 182 73.292 7.889 12.894 1.00 0.00 C ATOM 0 H LEU A 182 76.169 10.064 9.850 1.00 0.00 H new ATOM 0 HA LEU A 182 73.708 9.932 11.296 1.00 0.00 H new ATOM 0 HB2 LEU A 182 75.245 7.997 10.811 1.00 0.00 H new ATOM 0 HB3 LEU A 182 76.486 8.710 11.822 1.00 0.00 H new ATOM 0 HG LEU A 182 75.172 6.829 12.890 1.00 0.00 H new ATOM 0 HD11 LEU A 182 74.919 7.916 15.102 1.00 0.00 H new ATOM 0 HD12 LEU A 182 76.435 8.387 14.298 1.00 0.00 H new ATOM 0 HD13 LEU A 182 75.056 9.512 14.327 1.00 0.00 H new ATOM 0 HD21 LEU A 182 72.896 7.366 13.765 1.00 0.00 H new ATOM 0 HD22 LEU A 182 72.945 8.922 12.903 1.00 0.00 H new ATOM 0 HD23 LEU A 182 72.943 7.397 11.986 1.00 0.00 H new ATOM 208 N PRO A 183 75.990 11.504 13.073 1.00 0.00 N ATOM 209 CA PRO A 183 76.134 12.386 14.294 1.00 0.00 C ATOM 210 C PRO A 183 75.420 13.776 14.295 1.00 0.00 C ATOM 211 O PRO A 183 75.178 14.284 15.372 1.00 0.00 O ATOM 212 CB PRO A 183 77.656 12.590 14.373 1.00 0.00 C ATOM 213 CG PRO A 183 78.084 12.550 12.954 1.00 0.00 C ATOM 214 CD PRO A 183 77.261 11.422 12.347 1.00 0.00 C ATOM 0 HA PRO A 183 75.646 11.896 15.136 1.00 0.00 H new ATOM 0 HB2 PRO A 183 77.910 13.540 14.842 1.00 0.00 H new ATOM 0 HB3 PRO A 183 78.136 11.807 14.959 1.00 0.00 H new ATOM 0 HG2 PRO A 183 77.890 13.498 12.453 1.00 0.00 H new ATOM 0 HG3 PRO A 183 79.153 12.355 12.866 1.00 0.00 H new ATOM 0 HD2 PRO A 183 77.121 11.558 11.275 1.00 0.00 H new ATOM 0 HD3 PRO A 183 77.742 10.454 12.486 1.00 0.00 H new ATOM 222 N ILE A 184 75.107 14.438 13.153 1.00 0.00 N ATOM 223 CA ILE A 184 74.465 15.794 13.285 1.00 0.00 C ATOM 224 C ILE A 184 73.026 15.717 13.815 1.00 0.00 C ATOM 225 O ILE A 184 72.609 16.575 14.564 1.00 0.00 O ATOM 226 CB ILE A 184 74.524 16.643 11.988 1.00 0.00 C ATOM 227 CG1 ILE A 184 75.992 16.892 11.573 1.00 0.00 C ATOM 228 CG2 ILE A 184 73.846 17.998 12.274 1.00 0.00 C ATOM 229 CD1 ILE A 184 76.529 15.722 10.728 1.00 0.00 C ATOM 0 H ILE A 184 75.266 14.103 12.203 1.00 0.00 H new ATOM 0 HA ILE A 184 75.072 16.312 14.028 1.00 0.00 H new ATOM 0 HB ILE A 184 74.018 16.115 11.180 1.00 0.00 H new ATOM 0 HG12 ILE A 184 76.061 17.819 11.004 1.00 0.00 H new ATOM 0 HG13 ILE A 184 76.610 17.017 12.462 1.00 0.00 H new ATOM 0 HG21 ILE A 184 73.874 18.616 11.376 1.00 0.00 H new ATOM 0 HG22 ILE A 184 72.810 17.831 12.568 1.00 0.00 H new ATOM 0 HG23 ILE A 184 74.374 18.506 13.081 1.00 0.00 H new ATOM 0 HD11 ILE A 184 77.564 15.920 10.448 1.00 0.00 H new ATOM 0 HD12 ILE A 184 76.480 14.801 11.309 1.00 0.00 H new ATOM 0 HD13 ILE A 184 75.924 15.615 9.828 1.00 0.00 H new ATOM 573 N GLY B 175 73.027 3.517 -1.331 1.00 0.00 N ATOM 574 CA GLY B 175 71.966 4.547 -1.476 1.00 0.00 C ATOM 575 C GLY B 175 71.455 5.035 -0.111 1.00 0.00 C ATOM 576 O GLY B 175 71.161 6.203 0.050 1.00 0.00 O ATOM 0 HA2 GLY B 175 72.356 5.393 -2.042 1.00 0.00 H new ATOM 0 HA3 GLY B 175 71.135 4.135 -2.049 1.00 0.00 H new ATOM 580 N TRP B 176 71.302 4.117 0.852 1.00 0.00 N ATOM 581 CA TRP B 176 70.755 4.490 2.194 1.00 0.00 C ATOM 582 C TRP B 176 71.607 5.545 2.927 1.00 0.00 C ATOM 583 O TRP B 176 71.055 6.431 3.549 1.00 0.00 O ATOM 584 CB TRP B 176 70.640 3.208 3.062 1.00 0.00 C ATOM 585 CG TRP B 176 69.209 2.762 3.171 1.00 0.00 C ATOM 586 CD1 TRP B 176 68.555 2.538 4.333 1.00 0.00 C ATOM 587 CD2 TRP B 176 68.254 2.486 2.104 1.00 0.00 C ATOM 588 NE1 TRP B 176 67.261 2.139 4.049 1.00 0.00 N ATOM 589 CE2 TRP B 176 67.028 2.093 2.689 1.00 0.00 C ATOM 590 CE3 TRP B 176 68.333 2.538 0.700 1.00 0.00 C ATOM 591 CZ2 TRP B 176 65.919 1.765 1.910 1.00 0.00 C ATOM 592 CZ3 TRP B 176 67.218 2.207 -0.086 1.00 0.00 C ATOM 593 CH2 TRP B 176 66.013 1.821 0.518 1.00 0.00 C ATOM 0 H TRP B 176 71.538 3.130 0.747 1.00 0.00 H new ATOM 0 HA TRP B 176 69.776 4.943 2.034 1.00 0.00 H new ATOM 0 HB2 TRP B 176 71.241 2.412 2.623 1.00 0.00 H new ATOM 0 HB3 TRP B 176 71.042 3.400 4.057 1.00 0.00 H new ATOM 0 HD1 TRP B 176 68.974 2.652 5.322 1.00 0.00 H new ATOM 0 HE1 TRP B 176 66.565 1.907 4.757 1.00 0.00 H new ATOM 0 HE3 TRP B 176 69.256 2.834 0.225 1.00 0.00 H new ATOM 0 HZ2 TRP B 176 64.993 1.469 2.380 1.00 0.00 H new ATOM 0 HZ3 TRP B 176 67.289 2.250 -1.163 1.00 0.00 H new ATOM 0 HH2 TRP B 176 65.159 1.567 -0.092 1.00 0.00 H new ATOM 604 N LEU B 177 72.937 5.457 2.868 1.00 0.00 N ATOM 605 CA LEU B 177 73.766 6.476 3.588 1.00 0.00 C ATOM 606 C LEU B 177 73.469 7.868 3.051 1.00 0.00 C ATOM 607 O LEU B 177 73.374 8.815 3.790 1.00 0.00 O ATOM 608 CB LEU B 177 75.272 6.160 3.479 1.00 0.00 C ATOM 609 CG LEU B 177 75.809 6.422 2.043 1.00 0.00 C ATOM 610 CD1 LEU B 177 76.467 7.807 1.948 1.00 0.00 C ATOM 611 CD2 LEU B 177 76.859 5.367 1.663 1.00 0.00 C ATOM 0 H LEU B 177 73.458 4.740 2.364 1.00 0.00 H new ATOM 0 HA LEU B 177 73.500 6.441 4.644 1.00 0.00 H new ATOM 0 HB2 LEU B 177 75.825 6.771 4.192 1.00 0.00 H new ATOM 0 HB3 LEU B 177 75.446 5.118 3.749 1.00 0.00 H new ATOM 0 HG LEU B 177 74.959 6.371 1.362 1.00 0.00 H new ATOM 0 HD11 LEU B 177 76.835 7.966 0.934 1.00 0.00 H new ATOM 0 HD12 LEU B 177 75.734 8.576 2.193 1.00 0.00 H new ATOM 0 HD13 LEU B 177 77.300 7.863 2.649 1.00 0.00 H new ATOM 0 HD21 LEU B 177 77.225 5.564 0.655 1.00 0.00 H new ATOM 0 HD22 LEU B 177 77.691 5.412 2.366 1.00 0.00 H new ATOM 0 HD23 LEU B 177 76.408 4.375 1.697 1.00 0.00 H new ATOM 623 N SER B 178 73.315 7.955 1.744 1.00 0.00 N ATOM 624 CA SER B 178 73.015 9.255 1.064 1.00 0.00 C ATOM 625 C SER B 178 71.702 9.860 1.577 1.00 0.00 C ATOM 626 O SER B 178 71.585 11.052 1.731 1.00 0.00 O ATOM 627 CB SER B 178 72.958 9.055 -0.458 1.00 0.00 C ATOM 628 OG SER B 178 71.601 8.957 -0.872 1.00 0.00 O ATOM 0 H SER B 178 73.387 7.159 1.111 1.00 0.00 H new ATOM 0 HA SER B 178 73.817 9.955 1.298 1.00 0.00 H new ATOM 0 HB2 SER B 178 73.444 9.889 -0.964 1.00 0.00 H new ATOM 0 HB3 SER B 178 73.501 8.152 -0.738 1.00 0.00 H new ATOM 0 HG SER B 178 71.253 8.069 -0.645 1.00 0.00 H new ATOM 634 N LEU B 179 70.709 9.019 1.801 1.00 0.00 N ATOM 635 CA LEU B 179 69.374 9.492 2.286 1.00 0.00 C ATOM 636 C LEU B 179 69.479 10.216 3.646 1.00 0.00 C ATOM 637 O LEU B 179 68.783 11.182 3.889 1.00 0.00 O ATOM 638 CB LEU B 179 68.431 8.281 2.405 1.00 0.00 C ATOM 639 CG LEU B 179 66.962 8.699 2.213 1.00 0.00 C ATOM 640 CD1 LEU B 179 66.080 7.442 2.204 1.00 0.00 C ATOM 641 CD2 LEU B 179 66.515 9.642 3.351 1.00 0.00 C ATOM 0 H LEU B 179 70.775 8.010 1.664 1.00 0.00 H new ATOM 0 HA LEU B 179 68.980 10.211 1.567 1.00 0.00 H new ATOM 0 HB2 LEU B 179 68.700 7.533 1.659 1.00 0.00 H new ATOM 0 HB3 LEU B 179 68.555 7.815 3.383 1.00 0.00 H new ATOM 0 HG LEU B 179 66.862 9.229 1.266 1.00 0.00 H new ATOM 0 HD11 LEU B 179 65.038 7.730 2.068 1.00 0.00 H new ATOM 0 HD12 LEU B 179 66.385 6.789 1.386 1.00 0.00 H new ATOM 0 HD13 LEU B 179 66.190 6.913 3.151 1.00 0.00 H new ATOM 0 HD21 LEU B 179 65.474 9.928 3.199 1.00 0.00 H new ATOM 0 HD22 LEU B 179 66.615 9.130 4.308 1.00 0.00 H new ATOM 0 HD23 LEU B 179 67.140 10.535 3.350 1.00 0.00 H new ATOM 653 N LEU B 180 70.317 9.700 4.542 1.00 0.00 N ATOM 654 CA LEU B 180 70.452 10.278 5.923 1.00 0.00 C ATOM 655 C LEU B 180 70.901 11.751 5.947 1.00 0.00 C ATOM 656 O LEU B 180 70.447 12.485 6.783 1.00 0.00 O ATOM 657 CB LEU B 180 71.426 9.425 6.749 1.00 0.00 C ATOM 658 CG LEU B 180 71.304 9.742 8.244 1.00 0.00 C ATOM 659 CD1 LEU B 180 69.899 9.377 8.773 1.00 0.00 C ATOM 660 CD2 LEU B 180 72.376 8.946 9.012 1.00 0.00 C ATOM 0 H LEU B 180 70.915 8.894 4.363 1.00 0.00 H new ATOM 0 HA LEU B 180 69.453 10.258 6.359 1.00 0.00 H new ATOM 0 HB2 LEU B 180 71.222 8.368 6.580 1.00 0.00 H new ATOM 0 HB3 LEU B 180 72.448 9.609 6.417 1.00 0.00 H new ATOM 0 HG LEU B 180 71.453 10.811 8.393 1.00 0.00 H new ATOM 0 HD11 LEU B 180 69.838 9.611 9.836 1.00 0.00 H new ATOM 0 HD12 LEU B 180 69.146 9.950 8.231 1.00 0.00 H new ATOM 0 HD13 LEU B 180 69.720 8.312 8.626 1.00 0.00 H new ATOM 0 HD21 LEU B 180 72.298 9.164 10.077 1.00 0.00 H new ATOM 0 HD22 LEU B 180 72.224 7.879 8.848 1.00 0.00 H new ATOM 0 HD23 LEU B 180 73.366 9.230 8.655 1.00 0.00 H new ATOM 672 N LEU B 181 71.831 12.151 5.082 1.00 0.00 N ATOM 673 CA LEU B 181 72.339 13.583 5.057 1.00 0.00 C ATOM 674 C LEU B 181 71.251 14.654 4.764 1.00 0.00 C ATOM 675 O LEU B 181 71.331 15.757 5.267 1.00 0.00 O ATOM 676 CB LEU B 181 73.547 13.781 4.084 1.00 0.00 C ATOM 677 CG LEU B 181 73.454 12.885 2.827 1.00 0.00 C ATOM 678 CD1 LEU B 181 72.514 13.508 1.771 1.00 0.00 C ATOM 679 CD2 LEU B 181 74.859 12.709 2.212 1.00 0.00 C ATOM 0 H LEU B 181 72.262 11.540 4.388 1.00 0.00 H new ATOM 0 HA LEU B 181 72.676 13.746 6.081 1.00 0.00 H new ATOM 0 HB2 LEU B 181 73.594 14.826 3.778 1.00 0.00 H new ATOM 0 HB3 LEU B 181 74.474 13.562 4.613 1.00 0.00 H new ATOM 0 HG LEU B 181 73.051 11.918 3.127 1.00 0.00 H new ATOM 0 HD11 LEU B 181 72.467 12.858 0.897 1.00 0.00 H new ATOM 0 HD12 LEU B 181 71.516 13.621 2.194 1.00 0.00 H new ATOM 0 HD13 LEU B 181 72.896 14.485 1.476 1.00 0.00 H new ATOM 0 HD21 LEU B 181 74.792 12.077 1.326 1.00 0.00 H new ATOM 0 HD22 LEU B 181 75.259 13.684 1.933 1.00 0.00 H new ATOM 0 HD23 LEU B 181 75.520 12.241 2.942 1.00 0.00 H new ATOM 691 N LEU B 182 70.333 14.352 3.839 1.00 0.00 N ATOM 692 CA LEU B 182 69.311 15.373 3.339 1.00 0.00 C ATOM 693 C LEU B 182 68.374 15.979 4.409 1.00 0.00 C ATOM 694 O LEU B 182 68.099 17.156 4.349 1.00 0.00 O ATOM 695 CB LEU B 182 68.463 14.698 2.203 1.00 0.00 C ATOM 696 CG LEU B 182 67.012 15.241 2.116 1.00 0.00 C ATOM 697 CD1 LEU B 182 66.982 16.783 1.994 1.00 0.00 C ATOM 698 CD2 LEU B 182 66.316 14.603 0.900 1.00 0.00 C ATOM 0 H LEU B 182 70.249 13.432 3.406 1.00 0.00 H new ATOM 0 HA LEU B 182 69.888 16.226 2.982 1.00 0.00 H new ATOM 0 HB2 LEU B 182 68.960 14.855 1.246 1.00 0.00 H new ATOM 0 HB3 LEU B 182 68.431 13.622 2.373 1.00 0.00 H new ATOM 0 HG LEU B 182 66.488 14.978 3.035 1.00 0.00 H new ATOM 0 HD11 LEU B 182 65.948 17.123 1.936 1.00 0.00 H new ATOM 0 HD12 LEU B 182 67.461 17.226 2.867 1.00 0.00 H new ATOM 0 HD13 LEU B 182 67.515 17.087 1.093 1.00 0.00 H new ATOM 0 HD21 LEU B 182 65.295 14.977 0.828 1.00 0.00 H new ATOM 0 HD22 LEU B 182 66.862 14.860 -0.008 1.00 0.00 H new ATOM 0 HD23 LEU B 182 66.298 13.520 1.018 1.00 0.00 H new ATOM 710 N PRO B 183 67.879 15.241 5.348 1.00 0.00 N ATOM 711 CA PRO B 183 66.966 15.797 6.396 1.00 0.00 C ATOM 712 C PRO B 183 67.615 16.536 7.607 1.00 0.00 C ATOM 713 O PRO B 183 66.887 17.181 8.334 1.00 0.00 O ATOM 714 CB PRO B 183 66.200 14.549 6.862 1.00 0.00 C ATOM 715 CG PRO B 183 67.158 13.412 6.667 1.00 0.00 C ATOM 716 CD PRO B 183 68.068 13.807 5.490 1.00 0.00 C ATOM 0 HA PRO B 183 66.369 16.601 5.966 1.00 0.00 H new ATOM 0 HB2 PRO B 183 65.899 14.637 7.906 1.00 0.00 H new ATOM 0 HB3 PRO B 183 65.290 14.403 6.279 1.00 0.00 H new ATOM 0 HG2 PRO B 183 67.744 13.239 7.570 1.00 0.00 H new ATOM 0 HG3 PRO B 183 66.624 12.487 6.451 1.00 0.00 H new ATOM 0 HD2 PRO B 183 69.110 13.563 5.695 1.00 0.00 H new ATOM 0 HD3 PRO B 183 67.790 13.278 4.578 1.00 0.00 H new ATOM 724 N ILE B 184 68.943 16.461 7.870 1.00 0.00 N ATOM 725 CA ILE B 184 69.471 17.191 9.069 1.00 0.00 C ATOM 726 C ILE B 184 69.445 18.723 8.874 1.00 0.00 C ATOM 727 O ILE B 184 69.191 19.446 9.809 1.00 0.00 O ATOM 728 CB ILE B 184 70.876 16.684 9.549 1.00 0.00 C ATOM 729 CG1 ILE B 184 71.342 15.417 8.806 1.00 0.00 C ATOM 730 CG2 ILE B 184 70.807 16.363 11.047 1.00 0.00 C ATOM 731 CD1 ILE B 184 70.275 14.316 8.839 1.00 0.00 C ATOM 0 H ILE B 184 69.631 15.946 7.320 1.00 0.00 H new ATOM 0 HA ILE B 184 68.782 16.953 9.880 1.00 0.00 H new ATOM 0 HB ILE B 184 71.592 17.478 9.337 1.00 0.00 H new ATOM 0 HG12 ILE B 184 71.575 15.667 7.771 1.00 0.00 H new ATOM 0 HG13 ILE B 184 72.261 15.047 9.259 1.00 0.00 H new ATOM 0 HG21 ILE B 184 71.780 16.010 11.389 1.00 0.00 H new ATOM 0 HG22 ILE B 184 70.533 17.262 11.599 1.00 0.00 H new ATOM 0 HG23 ILE B 184 70.059 15.589 11.219 1.00 0.00 H new ATOM 0 HD11 ILE B 184 70.641 13.439 8.305 1.00 0.00 H new ATOM 0 HD12 ILE B 184 70.061 14.048 9.874 1.00 0.00 H new ATOM 0 HD13 ILE B 184 69.364 14.678 8.362 1.00 0.00 H new ATOM 743 N PRO B 185 69.689 19.217 7.682 1.00 0.00 N ATOM 744 CA PRO B 185 69.676 20.689 7.384 1.00 0.00 C ATOM 745 C PRO B 185 68.379 21.386 7.819 1.00 0.00 C ATOM 746 O PRO B 185 68.335 22.596 7.924 1.00 0.00 O ATOM 747 CB PRO B 185 69.851 20.763 5.858 1.00 0.00 C ATOM 748 CG PRO B 185 70.518 19.481 5.484 1.00 0.00 C ATOM 749 CD PRO B 185 70.005 18.438 6.478 1.00 0.00 C ATOM 0 HA PRO B 185 70.459 21.207 7.938 1.00 0.00 H new ATOM 0 HB2 PRO B 185 68.890 20.869 5.355 1.00 0.00 H new ATOM 0 HB3 PRO B 185 70.458 21.622 5.571 1.00 0.00 H new ATOM 0 HG2 PRO B 185 70.275 19.198 4.460 1.00 0.00 H new ATOM 0 HG3 PRO B 185 71.603 19.574 5.540 1.00 0.00 H new ATOM 0 HD2 PRO B 185 69.125 17.921 6.095 1.00 0.00 H new ATOM 0 HD3 PRO B 185 70.758 17.677 6.682 1.00 0.00 H new ATOM 1075 N GLY C 175 79.335 12.208 -6.028 1.00 0.00 N ATOM 1076 CA GLY C 175 80.122 13.224 -5.279 1.00 0.00 C ATOM 1077 C GLY C 175 79.213 14.238 -4.571 1.00 0.00 C ATOM 1078 O GLY C 175 79.510 14.662 -3.473 1.00 0.00 O ATOM 0 HA2 GLY C 175 80.753 12.725 -4.543 1.00 0.00 H new ATOM 0 HA3 GLY C 175 80.786 13.748 -5.966 1.00 0.00 H new ATOM 1082 N TRP C 176 78.127 14.655 -5.235 1.00 0.00 N ATOM 1083 CA TRP C 176 77.213 15.686 -4.654 1.00 0.00 C ATOM 1084 C TRP C 176 76.596 15.253 -3.318 1.00 0.00 C ATOM 1085 O TRP C 176 76.485 16.062 -2.418 1.00 0.00 O ATOM 1086 CB TRP C 176 76.090 16.000 -5.659 1.00 0.00 C ATOM 1087 CG TRP C 176 76.607 16.882 -6.758 1.00 0.00 C ATOM 1088 CD1 TRP C 176 77.845 16.815 -7.306 1.00 0.00 C ATOM 1089 CD2 TRP C 176 75.917 17.966 -7.448 1.00 0.00 C ATOM 1090 NE1 TRP C 176 77.954 17.785 -8.286 1.00 0.00 N ATOM 1091 CE2 TRP C 176 76.794 18.520 -8.410 1.00 0.00 C ATOM 1092 CE3 TRP C 176 74.627 18.517 -7.333 1.00 0.00 C ATOM 1093 CZ2 TRP C 176 76.407 19.581 -9.229 1.00 0.00 C ATOM 1094 CZ3 TRP C 176 74.234 19.585 -8.156 1.00 0.00 C ATOM 1095 CH2 TRP C 176 75.122 20.117 -9.100 1.00 0.00 C ATOM 0 H TRP C 176 77.851 14.312 -6.155 1.00 0.00 H new ATOM 0 HA TRP C 176 77.815 16.573 -4.457 1.00 0.00 H new ATOM 0 HB2 TRP C 176 75.700 15.073 -6.080 1.00 0.00 H new ATOM 0 HB3 TRP C 176 75.262 16.491 -5.148 1.00 0.00 H new ATOM 0 HD1 TRP C 176 78.620 16.118 -7.023 1.00 0.00 H new ATOM 0 HE1 TRP C 176 78.791 17.938 -8.849 1.00 0.00 H new ATOM 0 HE3 TRP C 176 73.935 18.116 -6.607 1.00 0.00 H new ATOM 0 HZ2 TRP C 176 77.095 19.985 -9.957 1.00 0.00 H new ATOM 0 HZ3 TRP C 176 73.241 19.999 -8.061 1.00 0.00 H new ATOM 0 HH2 TRP C 176 74.814 20.940 -9.728 1.00 0.00 H new ATOM 1106 N LEU C 177 76.200 13.990 -3.181 1.00 0.00 N ATOM 1107 CA LEU C 177 75.600 13.548 -1.885 1.00 0.00 C ATOM 1108 C LEU C 177 76.605 13.745 -0.760 1.00 0.00 C ATOM 1109 O LEU C 177 76.259 14.165 0.322 1.00 0.00 O ATOM 1110 CB LEU C 177 75.107 12.090 -1.947 1.00 0.00 C ATOM 1111 CG LEU C 177 76.285 11.072 -1.885 1.00 0.00 C ATOM 1112 CD1 LEU C 177 76.484 10.556 -0.452 1.00 0.00 C ATOM 1113 CD2 LEU C 177 75.991 9.863 -2.788 1.00 0.00 C ATOM 0 H LEU C 177 76.270 13.271 -3.901 1.00 0.00 H new ATOM 0 HA LEU C 177 74.723 14.164 -1.687 1.00 0.00 H new ATOM 0 HB2 LEU C 177 74.423 11.903 -1.119 1.00 0.00 H new ATOM 0 HB3 LEU C 177 74.544 11.937 -2.867 1.00 0.00 H new ATOM 0 HG LEU C 177 77.184 11.588 -2.221 1.00 0.00 H new ATOM 0 HD11 LEU C 177 77.311 9.847 -0.432 1.00 0.00 H new ATOM 0 HD12 LEU C 177 76.708 11.394 0.208 1.00 0.00 H new ATOM 0 HD13 LEU C 177 75.574 10.061 -0.114 1.00 0.00 H new ATOM 0 HD21 LEU C 177 76.822 9.159 -2.736 1.00 0.00 H new ATOM 0 HD22 LEU C 177 75.078 9.372 -2.452 1.00 0.00 H new ATOM 0 HD23 LEU C 177 75.865 10.200 -3.817 1.00 0.00 H new ATOM 1125 N SER C 178 77.858 13.441 -1.052 1.00 0.00 N ATOM 1126 CA SER C 178 78.955 13.587 -0.051 1.00 0.00 C ATOM 1127 C SER C 178 79.071 15.039 0.424 1.00 0.00 C ATOM 1128 O SER C 178 79.333 15.288 1.565 1.00 0.00 O ATOM 1129 CB SER C 178 80.294 13.089 -0.601 1.00 0.00 C ATOM 1130 OG SER C 178 80.921 14.134 -1.332 1.00 0.00 O ATOM 0 H SER C 178 78.162 13.092 -1.961 1.00 0.00 H new ATOM 0 HA SER C 178 78.699 12.963 0.805 1.00 0.00 H new ATOM 0 HB2 SER C 178 80.938 12.765 0.217 1.00 0.00 H new ATOM 0 HB3 SER C 178 80.136 12.224 -1.245 1.00 0.00 H new ATOM 0 HG SER C 178 80.460 14.257 -2.188 1.00 0.00 H new ATOM 1136 N LEU C 179 78.904 15.977 -0.487 1.00 0.00 N ATOM 1137 CA LEU C 179 78.992 17.447 -0.175 1.00 0.00 C ATOM 1138 C LEU C 179 77.951 17.888 0.883 1.00 0.00 C ATOM 1139 O LEU C 179 78.213 18.774 1.671 1.00 0.00 O ATOM 1140 CB LEU C 179 78.806 18.276 -1.470 1.00 0.00 C ATOM 1141 CG LEU C 179 80.155 18.529 -2.164 1.00 0.00 C ATOM 1142 CD1 LEU C 179 80.684 17.230 -2.768 1.00 0.00 C ATOM 1143 CD2 LEU C 179 79.960 19.556 -3.280 1.00 0.00 C ATOM 0 H LEU C 179 78.704 15.776 -1.467 1.00 0.00 H new ATOM 0 HA LEU C 179 79.982 17.629 0.244 1.00 0.00 H new ATOM 0 HB2 LEU C 179 78.137 17.749 -2.150 1.00 0.00 H new ATOM 0 HB3 LEU C 179 78.332 19.228 -1.231 1.00 0.00 H new ATOM 0 HG LEU C 179 80.870 18.902 -1.431 1.00 0.00 H new ATOM 0 HD11 LEU C 179 81.640 17.419 -3.257 1.00 0.00 H new ATOM 0 HD12 LEU C 179 80.820 16.491 -1.979 1.00 0.00 H new ATOM 0 HD13 LEU C 179 79.970 16.852 -3.500 1.00 0.00 H new ATOM 0 HD21 LEU C 179 80.913 19.740 -3.776 1.00 0.00 H new ATOM 0 HD22 LEU C 179 79.241 19.174 -4.005 1.00 0.00 H new ATOM 0 HD23 LEU C 179 79.586 20.488 -2.856 1.00 0.00 H new ATOM 1155 N LEU C 180 76.746 17.336 0.801 1.00 0.00 N ATOM 1156 CA LEU C 180 75.592 17.754 1.676 1.00 0.00 C ATOM 1157 C LEU C 180 75.849 17.598 3.193 1.00 0.00 C ATOM 1158 O LEU C 180 75.394 18.407 3.957 1.00 0.00 O ATOM 1159 CB LEU C 180 74.368 16.889 1.288 1.00 0.00 C ATOM 1160 CG LEU C 180 73.027 17.603 1.601 1.00 0.00 C ATOM 1161 CD1 LEU C 180 71.949 17.219 0.562 1.00 0.00 C ATOM 1162 CD2 LEU C 180 72.546 17.233 3.013 1.00 0.00 C ATOM 0 H LEU C 180 76.515 16.592 0.143 1.00 0.00 H new ATOM 0 HA LEU C 180 75.432 18.819 1.506 1.00 0.00 H new ATOM 0 HB2 LEU C 180 74.413 16.653 0.225 1.00 0.00 H new ATOM 0 HB3 LEU C 180 74.408 15.942 1.826 1.00 0.00 H new ATOM 0 HG LEU C 180 73.192 18.679 1.550 1.00 0.00 H new ATOM 0 HD11 LEU C 180 71.016 17.730 0.800 1.00 0.00 H new ATOM 0 HD12 LEU C 180 72.281 17.514 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU C 180 71.788 16.141 0.586 1.00 0.00 H new ATOM 0 HD21 LEU C 180 71.604 17.740 3.221 1.00 0.00 H new ATOM 0 HD22 LEU C 180 72.399 16.155 3.077 1.00 0.00 H new ATOM 0 HD23 LEU C 180 73.293 17.541 3.744 1.00 0.00 H new ATOM 1174 N LEU C 181 76.505 16.535 3.609 1.00 0.00 N ATOM 1175 CA LEU C 181 76.795 16.268 5.080 1.00 0.00 C ATOM 1176 C LEU C 181 77.646 17.343 5.794 1.00 0.00 C ATOM 1177 O LEU C 181 77.463 17.593 6.970 1.00 0.00 O ATOM 1178 CB LEU C 181 77.530 14.927 5.214 1.00 0.00 C ATOM 1179 CG LEU C 181 78.653 14.826 4.135 1.00 0.00 C ATOM 1180 CD1 LEU C 181 80.052 15.032 4.727 1.00 0.00 C ATOM 1181 CD2 LEU C 181 78.616 13.457 3.460 1.00 0.00 C ATOM 0 H LEU C 181 76.865 15.817 2.981 1.00 0.00 H new ATOM 0 HA LEU C 181 75.819 16.271 5.565 1.00 0.00 H new ATOM 0 HB2 LEU C 181 77.962 14.837 6.211 1.00 0.00 H new ATOM 0 HB3 LEU C 181 76.826 14.103 5.097 1.00 0.00 H new ATOM 0 HG LEU C 181 78.461 15.619 3.412 1.00 0.00 H new ATOM 0 HD11 LEU C 181 80.797 14.952 3.936 1.00 0.00 H new ATOM 0 HD12 LEU C 181 80.112 16.020 5.184 1.00 0.00 H new ATOM 0 HD13 LEU C 181 80.243 14.271 5.483 1.00 0.00 H new ATOM 0 HD21 LEU C 181 79.404 13.400 2.710 1.00 0.00 H new ATOM 0 HD22 LEU C 181 78.769 12.679 4.207 1.00 0.00 H new ATOM 0 HD23 LEU C 181 77.648 13.314 2.980 1.00 0.00 H new ATOM 1193 N LEU C 182 78.651 17.857 5.100 1.00 0.00 N ATOM 1194 CA LEU C 182 79.661 18.805 5.722 1.00 0.00 C ATOM 1195 C LEU C 182 79.061 20.100 6.307 1.00 0.00 C ATOM 1196 O LEU C 182 79.525 20.556 7.330 1.00 0.00 O ATOM 1197 CB LEU C 182 80.753 19.171 4.673 1.00 0.00 C ATOM 1198 CG LEU C 182 82.107 19.547 5.325 1.00 0.00 C ATOM 1199 CD1 LEU C 182 81.983 20.833 6.166 1.00 0.00 C ATOM 1200 CD2 LEU C 182 82.648 18.383 6.187 1.00 0.00 C ATOM 0 H LEU C 182 78.818 17.658 4.114 1.00 0.00 H new ATOM 0 HA LEU C 182 80.085 18.264 6.568 1.00 0.00 H new ATOM 0 HB2 LEU C 182 80.901 18.327 3.999 1.00 0.00 H new ATOM 0 HB3 LEU C 182 80.403 20.006 4.066 1.00 0.00 H new ATOM 0 HG LEU C 182 82.819 19.737 4.522 1.00 0.00 H new ATOM 0 HD11 LEU C 182 82.949 21.071 6.611 1.00 0.00 H new ATOM 0 HD12 LEU C 182 81.665 21.657 5.527 1.00 0.00 H new ATOM 0 HD13 LEU C 182 81.247 20.682 6.956 1.00 0.00 H new ATOM 0 HD21 LEU C 182 83.599 18.672 6.633 1.00 0.00 H new ATOM 0 HD22 LEU C 182 81.932 18.151 6.976 1.00 0.00 H new ATOM 0 HD23 LEU C 182 82.794 17.503 5.560 1.00 0.00 H new ATOM 1212 N PRO C 183 78.101 20.722 5.688 1.00 0.00 N ATOM 1213 CA PRO C 183 77.505 22.002 6.195 1.00 0.00 C ATOM 1214 C PRO C 183 76.571 21.923 7.442 1.00 0.00 C ATOM 1215 O PRO C 183 76.474 22.912 8.139 1.00 0.00 O ATOM 1216 CB PRO C 183 76.730 22.552 4.968 1.00 0.00 C ATOM 1217 CG PRO C 183 77.124 21.672 3.820 1.00 0.00 C ATOM 1218 CD PRO C 183 77.479 20.333 4.446 1.00 0.00 C ATOM 0 HA PRO C 183 78.310 22.633 6.573 1.00 0.00 H new ATOM 0 HB2 PRO C 183 75.654 22.519 5.136 1.00 0.00 H new ATOM 0 HB3 PRO C 183 76.991 23.592 4.773 1.00 0.00 H new ATOM 0 HG2 PRO C 183 76.307 21.568 3.105 1.00 0.00 H new ATOM 0 HG3 PRO C 183 77.972 22.090 3.277 1.00 0.00 H new ATOM 0 HD2 PRO C 183 76.596 19.716 4.611 1.00 0.00 H new ATOM 0 HD3 PRO C 183 78.157 19.758 3.816 1.00 0.00 H new ATOM 1226 N ILE C 184 75.853 20.810 7.750 1.00 0.00 N ATOM 1227 CA ILE C 184 74.971 20.871 8.960 1.00 0.00 C ATOM 1228 C ILE C 184 75.778 20.903 10.268 1.00 0.00 C ATOM 1229 O ILE C 184 75.410 21.589 11.192 1.00 0.00 O ATOM 1230 CB ILE C 184 73.883 19.771 8.991 1.00 0.00 C ATOM 1231 CG1 ILE C 184 73.238 19.636 7.599 1.00 0.00 C ATOM 1232 CG2 ILE C 184 72.796 20.196 10.009 1.00 0.00 C ATOM 1233 CD1 ILE C 184 74.200 18.972 6.597 1.00 0.00 C ATOM 0 H ILE C 184 75.856 19.930 7.234 1.00 0.00 H new ATOM 0 HA ILE C 184 74.439 21.819 8.878 1.00 0.00 H new ATOM 0 HB ILE C 184 74.327 18.817 9.274 1.00 0.00 H new ATOM 0 HG12 ILE C 184 72.325 19.046 7.675 1.00 0.00 H new ATOM 0 HG13 ILE C 184 72.951 20.621 7.232 1.00 0.00 H new ATOM 0 HG21 ILE C 184 72.017 19.435 10.048 1.00 0.00 H new ATOM 0 HG22 ILE C 184 73.245 20.307 10.996 1.00 0.00 H new ATOM 0 HG23 ILE C 184 72.360 21.146 9.700 1.00 0.00 H new ATOM 0 HD11 ILE C 184 73.714 18.892 5.625 1.00 0.00 H new ATOM 0 HD12 ILE C 184 75.102 19.577 6.503 1.00 0.00 H new ATOM 0 HD13 ILE C 184 74.466 17.977 6.953 1.00 0.00 H new