USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 631 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 2 SER OG : rot 41:sc= 0.143 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 30:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.253 X(o=0.25,f=-0.067) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot -114:sc= 1.24 USER MOD Single : A 23 THR OG1 : rot -106:sc= 0.321 USER MOD Single : A 24 GLN : amide:sc=-0.00506 K(o=-0.0051,f=-1.1) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0789) USER MOD Single : A 38 ASN : amide:sc= -0.32 K(o=-0.32,f=-3.5!) USER MOD Single : A 43 SER OG : rot 180:sc= -0.315 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.383 X(o=-0.38,f=-0.038) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 93:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 20 N SER A 2 5.316 19.344 0.222 1.00 0.00 N ATOM 21 CA SER A 2 6.093 18.275 0.841 1.00 0.00 C ATOM 22 C SER A 2 5.400 16.916 0.717 1.00 0.00 C ATOM 23 O SER A 2 6.076 15.912 0.511 1.00 0.00 O ATOM 24 CB SER A 2 6.350 18.617 2.313 1.00 0.00 C ATOM 25 OG SER A 2 6.993 19.870 2.416 1.00 0.00 O ATOM 0 HA SER A 2 7.043 18.196 0.312 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.407 18.638 2.859 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.967 17.844 2.771 1.00 0.00 H new ATOM 0 HG SER A 2 6.596 20.495 1.774 1.00 0.00 H new ATOM 31 N LYS A 3 4.068 16.870 0.865 1.00 0.00 N ATOM 32 CA LYS A 3 3.311 15.624 0.829 1.00 0.00 C ATOM 33 C LYS A 3 3.331 15.012 -0.572 1.00 0.00 C ATOM 34 O LYS A 3 2.684 15.510 -1.492 1.00 0.00 O ATOM 35 CB LYS A 3 1.872 15.840 1.309 1.00 0.00 C ATOM 36 CG LYS A 3 1.687 15.443 2.779 1.00 0.00 C ATOM 37 CD LYS A 3 2.542 16.231 3.781 1.00 0.00 C ATOM 38 CE LYS A 3 2.109 17.698 3.886 1.00 0.00 C ATOM 39 NZ LYS A 3 2.824 18.392 4.972 1.00 0.00 N ATOM 0 H LYS A 3 3.492 17.698 1.013 1.00 0.00 H new ATOM 0 HA LYS A 3 3.791 14.922 1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 3 1.601 16.888 1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 3 1.192 15.257 0.688 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.637 15.569 3.043 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.917 14.383 2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 3 2.472 15.762 4.763 1.00 0.00 H new ATOM 0 HD3 LYS A 3 3.588 16.184 3.479 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.301 18.204 2.940 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.035 17.750 4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.509 19.382 5.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.621 17.922 5.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.847 18.362 4.789 1.00 0.00 H new ATOM 53 N VAL A 4 4.088 13.920 -0.692 1.00 0.00 N ATOM 54 CA VAL A 4 4.391 13.230 -1.934 1.00 0.00 C ATOM 55 C VAL A 4 3.785 11.839 -1.832 1.00 0.00 C ATOM 56 O VAL A 4 4.465 10.869 -1.502 1.00 0.00 O ATOM 57 CB VAL A 4 5.909 13.250 -2.226 1.00 0.00 C ATOM 58 CG1 VAL A 4 6.823 12.855 -1.058 1.00 0.00 C ATOM 59 CG2 VAL A 4 6.263 12.389 -3.450 1.00 0.00 C ATOM 0 H VAL A 4 4.524 13.477 0.116 1.00 0.00 H new ATOM 0 HA VAL A 4 3.950 13.732 -2.796 1.00 0.00 H new ATOM 0 HB VAL A 4 6.107 14.304 -2.421 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.864 12.905 -1.378 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.666 13.540 -0.225 1.00 0.00 H new ATOM 0 HG13 VAL A 4 6.589 11.839 -0.741 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.338 12.428 -3.624 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.962 11.357 -3.268 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.740 12.771 -4.327 1.00 0.00 H new ATOM 69 N CYS A 5 2.477 11.755 -2.082 1.00 0.00 N ATOM 70 CA CYS A 5 1.794 10.475 -2.017 1.00 0.00 C ATOM 71 C CYS A 5 2.111 9.664 -3.268 1.00 0.00 C ATOM 72 O CYS A 5 2.339 10.237 -4.331 1.00 0.00 O ATOM 73 CB CYS A 5 0.278 10.608 -1.787 1.00 0.00 C ATOM 74 SG CYS A 5 -0.317 12.041 -0.841 1.00 0.00 S ATOM 0 H CYS A 5 1.883 12.547 -2.327 1.00 0.00 H new ATOM 0 HA CYS A 5 2.169 9.943 -1.143 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.208 10.627 -2.763 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.063 9.706 -1.278 1.00 0.00 H new ATOM 79 N ILE A 6 2.158 8.337 -3.130 1.00 0.00 N ATOM 80 CA ILE A 6 2.446 7.444 -4.249 1.00 0.00 C ATOM 81 C ILE A 6 1.268 6.490 -4.462 1.00 0.00 C ATOM 82 O ILE A 6 0.418 6.357 -3.584 1.00 0.00 O ATOM 83 CB ILE A 6 3.798 6.726 -4.047 1.00 0.00 C ATOM 84 CG1 ILE A 6 4.007 6.054 -2.682 1.00 0.00 C ATOM 85 CG2 ILE A 6 4.960 7.711 -4.251 1.00 0.00 C ATOM 86 CD1 ILE A 6 2.881 5.091 -2.327 1.00 0.00 C ATOM 0 H ILE A 6 1.998 7.856 -2.245 1.00 0.00 H new ATOM 0 HA ILE A 6 2.556 8.021 -5.167 1.00 0.00 H new ATOM 0 HB ILE A 6 3.778 5.930 -4.792 1.00 0.00 H new ATOM 0 HG12 ILE A 6 4.954 5.514 -2.688 1.00 0.00 H new ATOM 0 HG13 ILE A 6 4.082 6.821 -1.911 1.00 0.00 H new ATOM 0 HG21 ILE A 6 5.907 7.191 -4.106 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.920 8.116 -5.262 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.878 8.525 -3.530 1.00 0.00 H new ATOM 0 HD11 ILE A 6 3.078 4.644 -1.353 1.00 0.00 H new ATOM 0 HD12 ILE A 6 1.936 5.633 -2.293 1.00 0.00 H new ATOM 0 HD13 ILE A 6 2.822 4.306 -3.081 1.00 0.00 H new ATOM 98 N ILE A 7 1.216 5.832 -5.623 1.00 0.00 N ATOM 99 CA ILE A 7 0.290 4.743 -5.912 1.00 0.00 C ATOM 100 C ILE A 7 1.089 3.522 -6.364 1.00 0.00 C ATOM 101 O ILE A 7 1.809 3.588 -7.359 1.00 0.00 O ATOM 102 CB ILE A 7 -0.798 5.176 -6.915 1.00 0.00 C ATOM 103 CG1 ILE A 7 -1.783 4.016 -7.149 1.00 0.00 C ATOM 104 CG2 ILE A 7 -0.251 5.704 -8.250 1.00 0.00 C ATOM 105 CD1 ILE A 7 -3.156 4.520 -7.602 1.00 0.00 C ATOM 0 H ILE A 7 1.834 6.050 -6.405 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.256 4.468 -5.009 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.315 6.022 -6.461 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.377 3.340 -7.902 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.892 3.440 -6.230 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.081 5.986 -8.897 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.378 6.575 -8.066 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.339 4.926 -8.735 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.822 3.671 -7.756 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.574 5.175 -6.837 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.051 5.073 -8.535 1.00 0.00 H new ATOM 117 N ALA A 8 0.983 2.427 -5.601 1.00 0.00 N ATOM 118 CA ALA A 8 1.719 1.190 -5.817 1.00 0.00 C ATOM 119 C ALA A 8 0.755 0.056 -6.167 1.00 0.00 C ATOM 120 O ALA A 8 0.042 -0.435 -5.293 1.00 0.00 O ATOM 121 CB ALA A 8 2.536 0.862 -4.562 1.00 0.00 C ATOM 0 H ALA A 8 0.362 2.383 -4.793 1.00 0.00 H new ATOM 0 HA ALA A 8 2.405 1.310 -6.656 1.00 0.00 H new ATOM 0 HB1 ALA A 8 3.089 -0.064 -4.720 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.236 1.673 -4.361 1.00 0.00 H new ATOM 0 HB3 ALA A 8 1.865 0.743 -3.711 1.00 0.00 H new ATOM 127 N TRP A 9 0.752 -0.377 -7.436 1.00 0.00 N ATOM 128 CA TRP A 9 -0.001 -1.549 -7.872 1.00 0.00 C ATOM 129 C TRP A 9 0.836 -2.797 -7.651 1.00 0.00 C ATOM 130 O TRP A 9 1.925 -2.913 -8.208 1.00 0.00 O ATOM 131 CB TRP A 9 -0.381 -1.453 -9.351 1.00 0.00 C ATOM 132 CG TRP A 9 -1.396 -0.405 -9.649 1.00 0.00 C ATOM 133 CD1 TRP A 9 -2.731 -0.528 -9.485 1.00 0.00 C ATOM 134 CD2 TRP A 9 -1.172 0.948 -10.127 1.00 0.00 C ATOM 135 NE1 TRP A 9 -3.347 0.672 -9.769 1.00 0.00 N ATOM 136 CE2 TRP A 9 -2.429 1.617 -10.188 1.00 0.00 C ATOM 137 CE3 TRP A 9 -0.029 1.670 -10.525 1.00 0.00 C ATOM 138 CZ2 TRP A 9 -2.544 2.951 -10.606 1.00 0.00 C ATOM 139 CZ3 TRP A 9 -0.136 3.008 -10.942 1.00 0.00 C ATOM 140 CH2 TRP A 9 -1.387 3.649 -10.984 1.00 0.00 C ATOM 0 H TRP A 9 1.273 0.079 -8.185 1.00 0.00 H new ATOM 0 HA TRP A 9 -0.919 -1.598 -7.286 1.00 0.00 H new ATOM 0 HB2 TRP A 9 0.517 -1.250 -9.934 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -0.764 -2.419 -9.681 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -3.239 -1.430 -9.178 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -4.349 0.841 -9.681 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.939 1.191 -10.509 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.509 3.434 -10.636 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 0.752 3.550 -11.233 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.457 4.677 -11.307 1.00 0.00 H new ATOM 151 N VAL A 10 0.306 -3.731 -6.859 1.00 0.00 N ATOM 152 CA VAL A 10 0.956 -4.996 -6.553 1.00 0.00 C ATOM 153 C VAL A 10 0.325 -6.074 -7.437 1.00 0.00 C ATOM 154 O VAL A 10 -0.705 -6.645 -7.081 1.00 0.00 O ATOM 155 CB VAL A 10 0.830 -5.305 -5.051 1.00 0.00 C ATOM 156 CG1 VAL A 10 1.596 -6.584 -4.697 1.00 0.00 C ATOM 157 CG2 VAL A 10 1.384 -4.155 -4.197 1.00 0.00 C ATOM 0 H VAL A 10 -0.602 -3.623 -6.407 1.00 0.00 H new ATOM 0 HA VAL A 10 2.024 -4.955 -6.767 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.231 -5.434 -4.838 1.00 0.00 H new ATOM 0 HG11 VAL A 10 1.495 -6.785 -3.631 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.189 -7.421 -5.265 1.00 0.00 H new ATOM 0 HG13 VAL A 10 2.650 -6.457 -4.944 1.00 0.00 H new ATOM 0 HG21 VAL A 10 1.281 -4.404 -3.141 1.00 0.00 H new ATOM 0 HG22 VAL A 10 2.437 -4.002 -4.432 1.00 0.00 H new ATOM 0 HG23 VAL A 10 0.828 -3.242 -4.411 1.00 0.00 H new ATOM 167 N TYR A 11 0.949 -6.339 -8.592 1.00 0.00 N ATOM 168 CA TYR A 11 0.511 -7.358 -9.538 1.00 0.00 C ATOM 169 C TYR A 11 0.597 -8.755 -8.917 1.00 0.00 C ATOM 170 O TYR A 11 1.440 -9.007 -8.055 1.00 0.00 O ATOM 171 CB TYR A 11 1.356 -7.326 -10.818 1.00 0.00 C ATOM 172 CG TYR A 11 1.234 -6.078 -11.673 1.00 0.00 C ATOM 173 CD1 TYR A 11 0.091 -5.891 -12.474 1.00 0.00 C ATOM 174 CD2 TYR A 11 2.353 -5.246 -11.854 1.00 0.00 C ATOM 175 CE1 TYR A 11 0.081 -4.895 -13.467 1.00 0.00 C ATOM 176 CE2 TYR A 11 2.366 -4.294 -12.888 1.00 0.00 C ATOM 177 CZ TYR A 11 1.226 -4.109 -13.688 1.00 0.00 C ATOM 178 OH TYR A 11 1.241 -3.175 -14.682 1.00 0.00 O ATOM 0 H TYR A 11 1.785 -5.840 -8.895 1.00 0.00 H new ATOM 0 HA TYR A 11 -0.526 -7.138 -9.790 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.403 -7.449 -10.540 1.00 0.00 H new ATOM 0 HB3 TYR A 11 1.085 -8.187 -11.429 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.779 -6.513 -12.326 1.00 0.00 H new ATOM 0 HD2 TYR A 11 3.205 -5.339 -11.197 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.807 -4.734 -14.060 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.253 -3.704 -13.068 1.00 0.00 H new ATOM 0 HH TYR A 11 0.334 -2.832 -14.822 1.00 0.00 H new ATOM 188 N GLY A 12 -0.256 -9.666 -9.400 1.00 0.00 N ATOM 189 CA GLY A 12 -0.258 -11.067 -9.024 1.00 0.00 C ATOM 190 C GLY A 12 -1.367 -11.397 -8.033 1.00 0.00 C ATOM 191 O GLY A 12 -2.165 -10.533 -7.674 1.00 0.00 O ATOM 0 H GLY A 12 -0.979 -9.433 -10.081 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.377 -11.681 -9.917 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.706 -11.325 -8.586 1.00 0.00 H new ATOM 195 N ARG A 13 -1.424 -12.666 -7.610 1.00 0.00 N ATOM 196 CA ARG A 13 -2.503 -13.181 -6.777 1.00 0.00 C ATOM 197 C ARG A 13 -2.214 -12.924 -5.305 1.00 0.00 C ATOM 198 O ARG A 13 -1.633 -13.760 -4.616 1.00 0.00 O ATOM 199 CB ARG A 13 -2.746 -14.667 -7.026 1.00 0.00 C ATOM 200 CG ARG A 13 -3.014 -14.943 -8.507 1.00 0.00 C ATOM 201 CD ARG A 13 -3.816 -16.238 -8.666 1.00 0.00 C ATOM 202 NE ARG A 13 -4.167 -16.477 -10.071 1.00 0.00 N ATOM 203 CZ ARG A 13 -5.002 -17.439 -10.499 1.00 0.00 C ATOM 204 NH1 ARG A 13 -5.581 -18.282 -9.632 1.00 0.00 N ATOM 205 NH2 ARG A 13 -5.259 -17.555 -11.809 1.00 0.00 N ATOM 0 H ARG A 13 -0.716 -13.363 -7.841 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.413 -12.648 -7.051 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.879 -15.240 -6.698 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.595 -15.004 -6.431 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.563 -14.110 -8.946 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.070 -15.022 -9.046 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.234 -17.078 -8.286 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.724 -16.182 -8.066 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.747 -15.869 -10.774 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.390 -18.198 -8.634 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.213 -19.008 -9.971 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.822 -16.916 -12.473 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.892 -18.282 -12.142 1.00 0.00 H new ATOM 219 N VAL A 14 -2.630 -11.743 -4.856 1.00 0.00 N ATOM 220 CA VAL A 14 -2.364 -11.221 -3.524 1.00 0.00 C ATOM 221 C VAL A 14 -3.674 -11.082 -2.739 1.00 0.00 C ATOM 222 O VAL A 14 -3.712 -11.379 -1.545 1.00 0.00 O ATOM 223 CB VAL A 14 -1.605 -9.892 -3.669 1.00 0.00 C ATOM 224 CG1 VAL A 14 -1.275 -9.289 -2.299 1.00 0.00 C ATOM 225 CG2 VAL A 14 -0.281 -10.131 -4.411 1.00 0.00 C ATOM 0 H VAL A 14 -3.180 -11.104 -5.430 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.739 -11.907 -2.952 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.245 -9.205 -4.223 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.738 -8.350 -2.434 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.199 -9.103 -1.751 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.653 -9.984 -1.736 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.255 -9.187 -4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.330 -10.836 -3.847 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.487 -10.539 -5.400 1.00 0.00 H new ATOM 235 N GLN A 15 -4.746 -10.630 -3.404 1.00 0.00 N ATOM 236 CA GLN A 15 -6.055 -10.436 -2.790 1.00 0.00 C ATOM 237 C GLN A 15 -6.673 -11.764 -2.341 1.00 0.00 C ATOM 238 O GLN A 15 -6.389 -12.815 -2.912 1.00 0.00 O ATOM 239 CB GLN A 15 -6.969 -9.671 -3.754 1.00 0.00 C ATOM 240 CG GLN A 15 -7.419 -10.493 -4.968 1.00 0.00 C ATOM 241 CD GLN A 15 -8.274 -9.658 -5.920 1.00 0.00 C ATOM 242 OE1 GLN A 15 -9.328 -10.107 -6.359 1.00 0.00 O ATOM 243 NE2 GLN A 15 -7.843 -8.433 -6.226 1.00 0.00 N ATOM 0 H GLN A 15 -4.722 -10.388 -4.395 1.00 0.00 H new ATOM 0 HA GLN A 15 -5.933 -9.838 -1.887 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.851 -9.331 -3.211 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -6.447 -8.780 -4.104 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -6.545 -10.871 -5.498 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -7.987 -11.360 -4.632 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -6.961 -8.092 -5.843 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.395 -7.837 -6.843 1.00 0.00 H new ATOM 252 N GLY A 16 -7.526 -11.703 -1.311 1.00 0.00 N ATOM 253 CA GLY A 16 -8.226 -12.857 -0.764 1.00 0.00 C ATOM 254 C GLY A 16 -7.316 -13.812 0.015 1.00 0.00 C ATOM 255 O GLY A 16 -7.705 -14.953 0.253 1.00 0.00 O ATOM 0 H GLY A 16 -7.749 -10.831 -0.830 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.023 -12.510 -0.106 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -8.700 -13.404 -1.579 1.00 0.00 H new ATOM 259 N VAL A 17 -6.128 -13.347 0.428 1.00 0.00 N ATOM 260 CA VAL A 17 -5.183 -14.093 1.254 1.00 0.00 C ATOM 261 C VAL A 17 -5.191 -13.519 2.675 1.00 0.00 C ATOM 262 O VAL A 17 -5.184 -14.275 3.644 1.00 0.00 O ATOM 263 CB VAL A 17 -3.785 -14.054 0.611 1.00 0.00 C ATOM 264 CG1 VAL A 17 -2.762 -14.836 1.446 1.00 0.00 C ATOM 265 CG2 VAL A 17 -3.824 -14.658 -0.801 1.00 0.00 C ATOM 0 H VAL A 17 -5.794 -12.414 0.187 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.477 -15.141 1.319 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.484 -13.008 0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.786 -14.788 0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.696 -14.400 2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.077 -15.877 1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.827 -14.622 -1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.158 -15.694 -0.744 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -4.515 -14.087 -1.422 1.00 0.00 H new ATOM 275 N GLY A 18 -5.223 -12.183 2.787 1.00 0.00 N ATOM 276 CA GLY A 18 -5.302 -11.438 4.033 1.00 0.00 C ATOM 277 C GLY A 18 -4.047 -10.598 4.283 1.00 0.00 C ATOM 278 O GLY A 18 -3.673 -10.380 5.433 1.00 0.00 O ATOM 0 H GLY A 18 -5.193 -11.574 1.970 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.175 -10.786 4.010 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.444 -12.132 4.861 1.00 0.00 H new ATOM 282 N PHE A 19 -3.418 -10.112 3.202 1.00 0.00 N ATOM 283 CA PHE A 19 -2.208 -9.292 3.220 1.00 0.00 C ATOM 284 C PHE A 19 -2.336 -8.061 4.123 1.00 0.00 C ATOM 285 O PHE A 19 -1.342 -7.586 4.669 1.00 0.00 O ATOM 286 CB PHE A 19 -1.890 -8.861 1.781 1.00 0.00 C ATOM 287 CG PHE A 19 -0.410 -8.791 1.468 1.00 0.00 C ATOM 288 CD1 PHE A 19 0.348 -7.660 1.825 1.00 0.00 C ATOM 289 CD2 PHE A 19 0.209 -9.857 0.788 1.00 0.00 C ATOM 290 CE1 PHE A 19 1.705 -7.588 1.472 1.00 0.00 C ATOM 291 CE2 PHE A 19 1.539 -9.741 0.357 1.00 0.00 C ATOM 292 CZ PHE A 19 2.289 -8.608 0.701 1.00 0.00 C ATOM 0 H PHE A 19 -3.756 -10.289 2.256 1.00 0.00 H new ATOM 0 HA PHE A 19 -1.399 -9.893 3.634 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.363 -9.560 1.091 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -2.335 -7.883 1.600 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.113 -6.849 2.369 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.341 -10.766 0.598 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.301 -6.747 1.794 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.984 -10.524 -0.239 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.314 -8.519 0.374 1.00 0.00 H new ATOM 302 N ARG A 20 -3.568 -7.558 4.268 1.00 0.00 N ATOM 303 CA ARG A 20 -3.964 -6.428 5.099 1.00 0.00 C ATOM 304 C ARG A 20 -3.859 -6.710 6.610 1.00 0.00 C ATOM 305 O ARG A 20 -4.746 -6.319 7.368 1.00 0.00 O ATOM 306 CB ARG A 20 -5.410 -6.055 4.719 1.00 0.00 C ATOM 307 CG ARG A 20 -6.370 -7.255 4.885 1.00 0.00 C ATOM 308 CD ARG A 20 -7.819 -6.852 5.198 1.00 0.00 C ATOM 309 NE ARG A 20 -8.615 -6.626 3.982 1.00 0.00 N ATOM 310 CZ ARG A 20 -9.746 -5.900 3.903 1.00 0.00 C ATOM 311 NH1 ARG A 20 -10.141 -5.106 4.908 1.00 0.00 N ATOM 312 NH2 ARG A 20 -10.494 -5.974 2.795 1.00 0.00 N ATOM 0 H ARG A 20 -4.363 -7.961 3.772 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.276 -5.604 4.910 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -5.749 -5.228 5.343 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -5.437 -5.707 3.686 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.357 -7.848 3.970 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.000 -7.896 5.685 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.289 -7.633 5.796 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.818 -5.945 5.802 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.280 -7.058 3.121 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.580 -5.042 5.758 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -11.002 -4.566 4.823 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.205 -6.575 2.024 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.353 -5.429 2.722 1.00 0.00 H new ATOM 326 N TYR A 21 -2.795 -7.381 7.066 1.00 0.00 N ATOM 327 CA TYR A 21 -2.670 -7.821 8.444 1.00 0.00 C ATOM 328 C TYR A 21 -2.083 -6.700 9.300 1.00 0.00 C ATOM 329 O TYR A 21 -2.772 -6.147 10.155 1.00 0.00 O ATOM 330 CB TYR A 21 -1.833 -9.106 8.502 1.00 0.00 C ATOM 331 CG TYR A 21 -1.969 -9.842 9.819 1.00 0.00 C ATOM 332 CD1 TYR A 21 -3.105 -10.640 10.053 1.00 0.00 C ATOM 333 CD2 TYR A 21 -1.020 -9.657 10.841 1.00 0.00 C ATOM 334 CE1 TYR A 21 -3.289 -11.255 11.303 1.00 0.00 C ATOM 335 CE2 TYR A 21 -1.203 -10.276 12.090 1.00 0.00 C ATOM 336 CZ TYR A 21 -2.337 -11.076 12.321 1.00 0.00 C ATOM 337 OH TYR A 21 -2.511 -11.674 13.535 1.00 0.00 O ATOM 0 H TYR A 21 -1.998 -7.631 6.481 1.00 0.00 H new ATOM 0 HA TYR A 21 -3.653 -8.054 8.853 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.135 -9.767 7.690 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.784 -8.858 8.337 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.836 -10.780 9.271 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.151 -9.040 10.666 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.162 -11.865 11.481 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -0.472 -10.137 12.873 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.760 -11.447 14.122 1.00 0.00 H new ATOM 347 N THR A 22 -0.810 -6.368 9.056 1.00 0.00 N ATOM 348 CA THR A 22 -0.075 -5.356 9.807 1.00 0.00 C ATOM 349 C THR A 22 -0.160 -3.966 9.163 1.00 0.00 C ATOM 350 O THR A 22 0.265 -3.001 9.792 1.00 0.00 O ATOM 351 CB THR A 22 1.376 -5.820 10.035 1.00 0.00 C ATOM 352 OG1 THR A 22 2.028 -4.974 10.958 1.00 0.00 O ATOM 353 CG2 THR A 22 2.189 -5.900 8.741 1.00 0.00 C ATOM 0 H THR A 22 -0.257 -6.805 8.318 1.00 0.00 H new ATOM 0 HA THR A 22 -0.550 -5.246 10.782 1.00 0.00 H new ATOM 0 HB THR A 22 1.315 -6.830 10.440 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.749 -4.489 10.505 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.202 -6.232 8.968 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.719 -6.608 8.059 1.00 0.00 H new ATOM 0 HG23 THR A 22 2.226 -4.916 8.273 1.00 0.00 H new ATOM 361 N THR A 23 -0.693 -3.853 7.932 1.00 0.00 N ATOM 362 CA THR A 23 -0.762 -2.598 7.180 1.00 0.00 C ATOM 363 C THR A 23 -1.210 -1.396 8.030 1.00 0.00 C ATOM 364 O THR A 23 -0.553 -0.357 8.013 1.00 0.00 O ATOM 365 CB THR A 23 -1.628 -2.778 5.918 1.00 0.00 C ATOM 366 OG1 THR A 23 -1.517 -1.635 5.098 1.00 0.00 O ATOM 367 CG2 THR A 23 -3.111 -3.047 6.198 1.00 0.00 C ATOM 0 H THR A 23 -1.092 -4.646 7.430 1.00 0.00 H new ATOM 0 HA THR A 23 0.254 -2.355 6.869 1.00 0.00 H new ATOM 0 HB THR A 23 -1.241 -3.667 5.420 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.338 -1.103 5.165 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.645 -3.161 5.254 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.211 -3.961 6.784 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.534 -2.211 6.755 1.00 0.00 H new ATOM 375 N GLN A 24 -2.301 -1.553 8.796 1.00 0.00 N ATOM 376 CA GLN A 24 -2.833 -0.540 9.697 1.00 0.00 C ATOM 377 C GLN A 24 -1.775 -0.143 10.726 1.00 0.00 C ATOM 378 O GLN A 24 -1.431 1.031 10.840 1.00 0.00 O ATOM 379 CB GLN A 24 -4.075 -1.105 10.397 1.00 0.00 C ATOM 380 CG GLN A 24 -5.239 -1.309 9.418 1.00 0.00 C ATOM 381 CD GLN A 24 -6.015 -0.039 9.106 1.00 0.00 C ATOM 382 OE1 GLN A 24 -5.816 1.007 9.718 1.00 0.00 O ATOM 383 NE2 GLN A 24 -6.920 -0.143 8.134 1.00 0.00 N ATOM 0 H GLN A 24 -2.846 -2.415 8.800 1.00 0.00 H new ATOM 0 HA GLN A 24 -3.107 0.350 9.131 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -3.826 -2.056 10.868 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.384 -0.427 11.192 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -4.849 -1.722 8.488 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -5.924 -2.048 9.833 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -7.051 -1.033 7.653 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -7.482 0.667 7.871 1.00 0.00 H new ATOM 392 N TYR A 25 -1.277 -1.135 11.476 1.00 0.00 N ATOM 393 CA TYR A 25 -0.292 -0.955 12.533 1.00 0.00 C ATOM 394 C TYR A 25 0.900 -0.145 12.027 1.00 0.00 C ATOM 395 O TYR A 25 1.227 0.893 12.598 1.00 0.00 O ATOM 396 CB TYR A 25 0.157 -2.330 13.060 1.00 0.00 C ATOM 397 CG TYR A 25 0.396 -2.357 14.556 1.00 0.00 C ATOM 398 CD1 TYR A 25 1.586 -1.837 15.097 1.00 0.00 C ATOM 399 CD2 TYR A 25 -0.600 -2.862 15.413 1.00 0.00 C ATOM 400 CE1 TYR A 25 1.782 -1.832 16.490 1.00 0.00 C ATOM 401 CE2 TYR A 25 -0.405 -2.854 16.806 1.00 0.00 C ATOM 402 CZ TYR A 25 0.785 -2.335 17.344 1.00 0.00 C ATOM 403 OH TYR A 25 0.976 -2.317 18.695 1.00 0.00 O ATOM 0 H TYR A 25 -1.560 -2.108 11.356 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.745 -0.397 13.352 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -0.601 -3.072 12.808 1.00 0.00 H new ATOM 0 HB3 TYR A 25 1.073 -2.624 12.549 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.349 -1.442 14.443 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -1.516 -3.257 15.000 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.700 -1.441 16.904 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -1.169 -3.246 17.461 1.00 0.00 H new ATOM 0 HH TYR A 25 0.192 -2.700 19.141 1.00 0.00 H new ATOM 413 N GLU A 26 1.520 -0.627 10.942 1.00 0.00 N ATOM 414 CA GLU A 26 2.674 -0.007 10.305 1.00 0.00 C ATOM 415 C GLU A 26 2.378 1.455 9.990 1.00 0.00 C ATOM 416 O GLU A 26 3.118 2.345 10.401 1.00 0.00 O ATOM 417 CB GLU A 26 3.049 -0.779 9.024 1.00 0.00 C ATOM 418 CG GLU A 26 4.474 -1.337 9.103 1.00 0.00 C ATOM 419 CD GLU A 26 4.589 -2.419 10.172 1.00 0.00 C ATOM 420 OE1 GLU A 26 4.126 -3.544 9.885 1.00 0.00 O ATOM 421 OE2 GLU A 26 5.121 -2.101 11.257 1.00 0.00 O ATOM 0 H GLU A 26 1.219 -1.483 10.475 1.00 0.00 H new ATOM 0 HA GLU A 26 3.522 -0.044 10.989 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.345 -1.597 8.871 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.963 -0.119 8.161 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.760 -1.748 8.135 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.171 -0.529 9.324 1.00 0.00 H new ATOM 428 N ALA A 27 1.276 1.687 9.268 1.00 0.00 N ATOM 429 CA ALA A 27 0.861 3.017 8.861 1.00 0.00 C ATOM 430 C ALA A 27 0.740 3.960 10.056 1.00 0.00 C ATOM 431 O ALA A 27 1.088 5.134 9.950 1.00 0.00 O ATOM 432 CB ALA A 27 -0.466 2.924 8.101 1.00 0.00 C ATOM 0 H ALA A 27 0.649 0.947 8.952 1.00 0.00 H new ATOM 0 HA ALA A 27 1.625 3.433 8.204 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.780 3.922 7.794 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.337 2.297 7.219 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.226 2.487 8.749 1.00 0.00 H new ATOM 438 N LYS A 28 0.270 3.436 11.196 1.00 0.00 N ATOM 439 CA LYS A 28 0.097 4.203 12.420 1.00 0.00 C ATOM 440 C LYS A 28 1.440 4.626 13.032 1.00 0.00 C ATOM 441 O LYS A 28 1.504 5.685 13.655 1.00 0.00 O ATOM 442 CB LYS A 28 -0.733 3.396 13.428 1.00 0.00 C ATOM 443 CG LYS A 28 -1.488 4.308 14.408 1.00 0.00 C ATOM 444 CD LYS A 28 -1.385 3.804 15.852 1.00 0.00 C ATOM 445 CE LYS A 28 -0.057 4.242 16.482 1.00 0.00 C ATOM 446 NZ LYS A 28 0.124 3.661 17.823 1.00 0.00 N ATOM 0 H LYS A 28 -0.001 2.457 11.287 1.00 0.00 H new ATOM 0 HA LYS A 28 -0.437 5.119 12.168 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.446 2.769 12.892 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -0.077 2.727 13.986 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -1.085 5.319 14.347 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -2.537 4.364 14.117 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.218 4.192 16.439 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.461 2.717 15.870 1.00 0.00 H new ATOM 0 HE2 LYS A 28 0.769 3.939 15.839 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -0.026 5.330 16.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.032 3.978 18.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -0.651 3.971 18.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.120 2.623 17.755 1.00 0.00 H new ATOM 460 N ARG A 29 2.505 3.825 12.867 1.00 0.00 N ATOM 461 CA ARG A 29 3.845 4.194 13.314 1.00 0.00 C ATOM 462 C ARG A 29 4.310 5.463 12.602 1.00 0.00 C ATOM 463 O ARG A 29 4.791 6.391 13.249 1.00 0.00 O ATOM 464 CB ARG A 29 4.869 3.079 13.051 1.00 0.00 C ATOM 465 CG ARG A 29 4.513 1.704 13.620 1.00 0.00 C ATOM 466 CD ARG A 29 4.228 1.763 15.122 1.00 0.00 C ATOM 467 NE ARG A 29 4.676 0.537 15.801 1.00 0.00 N ATOM 468 CZ ARG A 29 5.947 0.263 16.144 1.00 0.00 C ATOM 469 NH1 ARG A 29 6.937 1.128 15.873 1.00 0.00 N ATOM 470 NH2 ARG A 29 6.233 -0.892 16.761 1.00 0.00 N ATOM 0 H ARG A 29 2.455 2.909 12.421 1.00 0.00 H new ATOM 0 HA ARG A 29 3.785 4.362 14.389 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.005 2.982 11.974 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.829 3.387 13.467 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.639 1.311 13.100 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.333 1.011 13.433 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.732 2.626 15.556 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.159 1.902 15.286 1.00 0.00 H new ATOM 0 HE ARG A 29 3.967 -0.160 16.029 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.730 2.008 15.400 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.896 0.905 16.140 1.00 0.00 H new ATOM 0 HH21 ARG A 29 5.488 -1.558 16.968 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.195 -1.105 17.024 1.00 0.00 H new ATOM 484 N LEU A 30 4.179 5.492 11.272 1.00 0.00 N ATOM 485 CA LEU A 30 4.616 6.627 10.469 1.00 0.00 C ATOM 486 C LEU A 30 3.639 7.797 10.600 1.00 0.00 C ATOM 487 O LEU A 30 4.049 8.952 10.504 1.00 0.00 O ATOM 488 CB LEU A 30 4.748 6.196 9.008 1.00 0.00 C ATOM 489 CG LEU A 30 5.733 5.036 8.782 1.00 0.00 C ATOM 490 CD1 LEU A 30 5.670 4.641 7.306 1.00 0.00 C ATOM 491 CD2 LEU A 30 7.170 5.409 9.161 1.00 0.00 C ATOM 0 H LEU A 30 3.769 4.732 10.729 1.00 0.00 H new ATOM 0 HA LEU A 30 5.587 6.964 10.832 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.766 5.902 8.637 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.070 7.052 8.415 1.00 0.00 H new ATOM 0 HG LEU A 30 5.444 4.204 9.425 1.00 0.00 H new ATOM 0 HD11 LEU A 30 6.361 3.819 7.120 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.656 4.327 7.056 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.948 5.495 6.689 1.00 0.00 H new ATOM 0 HD21 LEU A 30 7.826 4.557 8.983 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.499 6.253 8.555 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.209 5.683 10.215 1.00 0.00 H new ATOM 503 N GLY A 31 2.352 7.493 10.810 1.00 0.00 N ATOM 504 CA GLY A 31 1.279 8.467 10.928 1.00 0.00 C ATOM 505 C GLY A 31 0.723 8.895 9.571 1.00 0.00 C ATOM 506 O GLY A 31 0.143 9.974 9.468 1.00 0.00 O ATOM 0 H GLY A 31 2.027 6.531 10.904 1.00 0.00 H new ATOM 0 HA2 GLY A 31 0.474 8.044 11.529 1.00 0.00 H new ATOM 0 HA3 GLY A 31 1.647 9.345 11.459 1.00 0.00 H new ATOM 510 N LEU A 32 0.905 8.061 8.539 1.00 0.00 N ATOM 511 CA LEU A 32 0.483 8.359 7.174 1.00 0.00 C ATOM 512 C LEU A 32 -0.903 7.798 6.863 1.00 0.00 C ATOM 513 O LEU A 32 -1.475 7.044 7.650 1.00 0.00 O ATOM 514 CB LEU A 32 1.558 7.952 6.157 1.00 0.00 C ATOM 515 CG LEU A 32 1.468 6.546 5.538 1.00 0.00 C ATOM 516 CD1 LEU A 32 2.702 6.336 4.666 1.00 0.00 C ATOM 517 CD2 LEU A 32 1.432 5.428 6.572 1.00 0.00 C ATOM 0 H LEU A 32 1.355 7.151 8.635 1.00 0.00 H new ATOM 0 HA LEU A 32 0.377 9.440 7.085 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.540 8.677 5.344 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.529 8.042 6.643 1.00 0.00 H new ATOM 0 HG LEU A 32 0.536 6.500 4.975 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.664 5.345 4.214 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.726 7.092 3.881 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.599 6.421 5.279 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.368 4.465 6.065 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.339 5.461 7.175 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.563 5.557 7.217 1.00 0.00 H new ATOM 529 N THR A 33 -1.450 8.218 5.717 1.00 0.00 N ATOM 530 CA THR A 33 -2.849 8.025 5.372 1.00 0.00 C ATOM 531 C THR A 33 -2.952 7.045 4.203 1.00 0.00 C ATOM 532 O THR A 33 -2.003 6.310 3.937 1.00 0.00 O ATOM 533 CB THR A 33 -3.462 9.390 5.032 1.00 0.00 C ATOM 534 OG1 THR A 33 -2.861 9.918 3.869 1.00 0.00 O ATOM 535 CG2 THR A 33 -3.318 10.386 6.187 1.00 0.00 C ATOM 0 H THR A 33 -0.919 8.708 4.997 1.00 0.00 H new ATOM 0 HA THR A 33 -3.403 7.599 6.209 1.00 0.00 H new ATOM 0 HB THR A 33 -4.526 9.234 4.856 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.261 10.788 3.660 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.765 11.339 5.904 1.00 0.00 H new ATOM 0 HG22 THR A 33 -3.825 9.995 7.070 1.00 0.00 H new ATOM 0 HG23 THR A 33 -2.261 10.533 6.411 1.00 0.00 H new ATOM 543 N GLY A 34 -4.081 7.063 3.480 1.00 0.00 N ATOM 544 CA GLY A 34 -4.228 6.340 2.228 1.00 0.00 C ATOM 545 C GLY A 34 -5.114 5.124 2.397 1.00 0.00 C ATOM 546 O GLY A 34 -5.974 5.094 3.274 1.00 0.00 O ATOM 0 H GLY A 34 -4.914 7.583 3.755 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.653 7.000 1.472 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.247 6.031 1.867 1.00 0.00 H new ATOM 550 N TYR A 35 -4.918 4.132 1.529 1.00 0.00 N ATOM 551 CA TYR A 35 -5.727 2.922 1.577 1.00 0.00 C ATOM 552 C TYR A 35 -5.191 1.809 0.680 1.00 0.00 C ATOM 553 O TYR A 35 -4.417 2.063 -0.244 1.00 0.00 O ATOM 554 CB TYR A 35 -7.190 3.238 1.227 1.00 0.00 C ATOM 555 CG TYR A 35 -7.366 3.781 -0.182 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.378 2.907 -1.285 1.00 0.00 C ATOM 557 CD2 TYR A 35 -7.317 5.172 -0.399 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.307 3.415 -2.594 1.00 0.00 C ATOM 559 CE2 TYR A 35 -7.268 5.681 -1.708 1.00 0.00 C ATOM 560 CZ TYR A 35 -7.253 4.804 -2.806 1.00 0.00 C ATOM 561 OH TYR A 35 -7.184 5.306 -4.072 1.00 0.00 O ATOM 0 H TYR A 35 -4.213 4.144 0.792 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.672 2.551 2.600 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -7.787 2.333 1.337 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.578 3.965 1.940 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.442 1.841 -1.125 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.317 5.849 0.443 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.294 2.739 -3.436 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -7.242 6.748 -1.870 1.00 0.00 H new ATOM 0 HH TYR A 35 -7.155 6.285 -4.035 1.00 0.00 H new ATOM 571 N ALA A 36 -5.629 0.575 0.975 1.00 0.00 N ATOM 572 CA ALA A 36 -5.171 -0.644 0.327 1.00 0.00 C ATOM 573 C ALA A 36 -6.352 -1.347 -0.340 1.00 0.00 C ATOM 574 O ALA A 36 -6.894 -2.308 0.205 1.00 0.00 O ATOM 575 CB ALA A 36 -4.514 -1.523 1.393 1.00 0.00 C ATOM 0 H ALA A 36 -6.332 0.403 1.693 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.442 -0.426 -0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.160 -2.447 0.935 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.672 -0.991 1.835 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.242 -1.759 2.169 1.00 0.00 H new ATOM 581 N LYS A 37 -6.760 -0.862 -1.517 1.00 0.00 N ATOM 582 CA LYS A 37 -7.878 -1.437 -2.260 1.00 0.00 C ATOM 583 C LYS A 37 -7.390 -2.606 -3.109 1.00 0.00 C ATOM 584 O LYS A 37 -6.191 -2.798 -3.269 1.00 0.00 O ATOM 585 CB LYS A 37 -8.578 -0.370 -3.114 1.00 0.00 C ATOM 586 CG LYS A 37 -9.809 0.190 -2.390 1.00 0.00 C ATOM 587 CD LYS A 37 -10.511 1.237 -3.265 1.00 0.00 C ATOM 588 CE LYS A 37 -11.891 1.621 -2.715 1.00 0.00 C ATOM 589 NZ LYS A 37 -12.873 0.531 -2.864 1.00 0.00 N ATOM 0 H LYS A 37 -6.324 -0.063 -1.977 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.616 -1.814 -1.552 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -7.882 0.439 -3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.878 -0.802 -4.069 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.500 -0.619 -2.154 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.509 0.639 -1.443 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.888 2.129 -3.332 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.621 0.848 -4.277 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.800 1.884 -1.661 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -12.253 2.508 -3.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -13.824 0.887 -2.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.858 0.181 -3.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -12.631 -0.245 -2.215 1.00 0.00 H new ATOM 603 N ASN A 38 -8.335 -3.401 -3.619 1.00 0.00 N ATOM 604 CA ASN A 38 -8.059 -4.590 -4.418 1.00 0.00 C ATOM 605 C ASN A 38 -8.843 -4.483 -5.725 1.00 0.00 C ATOM 606 O ASN A 38 -10.046 -4.223 -5.697 1.00 0.00 O ATOM 607 CB ASN A 38 -8.428 -5.882 -3.670 1.00 0.00 C ATOM 608 CG ASN A 38 -7.808 -6.062 -2.289 1.00 0.00 C ATOM 609 OD1 ASN A 38 -7.048 -5.237 -1.792 1.00 0.00 O ATOM 610 ND2 ASN A 38 -8.148 -7.180 -1.652 1.00 0.00 N ATOM 0 H ASN A 38 -9.331 -3.230 -3.483 1.00 0.00 H new ATOM 0 HA ASN A 38 -6.989 -4.641 -4.621 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.512 -5.920 -3.566 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -8.138 -6.731 -4.289 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.774 -7.371 -0.722 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.782 -7.846 -2.093 1.00 0.00 H new ATOM 617 N LEU A 39 -8.155 -4.688 -6.853 1.00 0.00 N ATOM 618 CA LEU A 39 -8.728 -4.677 -8.193 1.00 0.00 C ATOM 619 C LEU A 39 -9.661 -5.872 -8.394 1.00 0.00 C ATOM 620 O LEU A 39 -9.747 -6.762 -7.551 1.00 0.00 O ATOM 621 CB LEU A 39 -7.602 -4.699 -9.248 1.00 0.00 C ATOM 622 CG LEU A 39 -6.977 -3.317 -9.489 1.00 0.00 C ATOM 623 CD1 LEU A 39 -5.615 -3.447 -10.173 1.00 0.00 C ATOM 624 CD2 LEU A 39 -7.892 -2.460 -10.376 1.00 0.00 C ATOM 0 H LEU A 39 -7.152 -4.872 -6.853 1.00 0.00 H new ATOM 0 HA LEU A 39 -9.311 -3.764 -8.312 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.824 -5.392 -8.927 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -8.000 -5.080 -10.188 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.851 -2.839 -8.517 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -5.192 -2.455 -10.333 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.945 -4.030 -9.541 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.736 -3.949 -11.133 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.433 -1.484 -10.536 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.036 -2.955 -11.336 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -8.857 -2.331 -9.886 1.00 0.00 H new ATOM 636 N ASP A 40 -10.341 -5.893 -9.542 1.00 0.00 N ATOM 637 CA ASP A 40 -11.219 -6.981 -9.947 1.00 0.00 C ATOM 638 C ASP A 40 -10.453 -8.056 -10.731 1.00 0.00 C ATOM 639 O ASP A 40 -11.084 -8.902 -11.361 1.00 0.00 O ATOM 640 CB ASP A 40 -12.379 -6.406 -10.773 1.00 0.00 C ATOM 641 CG ASP A 40 -13.137 -5.322 -10.011 1.00 0.00 C ATOM 642 OD1 ASP A 40 -14.042 -5.697 -9.233 1.00 0.00 O ATOM 643 OD2 ASP A 40 -12.792 -4.137 -10.211 1.00 0.00 O ATOM 0 H ASP A 40 -10.293 -5.138 -10.226 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.619 -7.468 -9.058 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -11.992 -5.992 -11.704 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -13.066 -7.208 -11.042 1.00 0.00 H new ATOM 648 N ASP A 41 -9.110 -8.031 -10.703 1.00 0.00 N ATOM 649 CA ASP A 41 -8.264 -8.947 -11.458 1.00 0.00 C ATOM 650 C ASP A 41 -7.642 -9.984 -10.526 1.00 0.00 C ATOM 651 O ASP A 41 -7.697 -11.184 -10.788 1.00 0.00 O ATOM 652 CB ASP A 41 -7.192 -8.131 -12.193 1.00 0.00 C ATOM 653 CG ASP A 41 -6.178 -9.030 -12.895 1.00 0.00 C ATOM 654 OD1 ASP A 41 -6.567 -9.644 -13.911 1.00 0.00 O ATOM 655 OD2 ASP A 41 -5.034 -9.091 -12.393 1.00 0.00 O ATOM 0 H ASP A 41 -8.582 -7.361 -10.144 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.858 -9.491 -12.192 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.669 -7.480 -12.926 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.675 -7.486 -11.482 1.00 0.00 H new ATOM 660 N GLY A 42 -7.026 -9.496 -9.449 1.00 0.00 N ATOM 661 CA GLY A 42 -6.163 -10.269 -8.577 1.00 0.00 C ATOM 662 C GLY A 42 -5.245 -9.388 -7.722 1.00 0.00 C ATOM 663 O GLY A 42 -4.720 -9.848 -6.708 1.00 0.00 O ATOM 0 H GLY A 42 -7.121 -8.523 -9.157 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.776 -10.890 -7.924 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.555 -10.944 -9.179 1.00 0.00 H new ATOM 667 N SER A 43 -5.026 -8.135 -8.146 1.00 0.00 N ATOM 668 CA SER A 43 -3.925 -7.297 -7.685 1.00 0.00 C ATOM 669 C SER A 43 -4.391 -6.208 -6.714 1.00 0.00 C ATOM 670 O SER A 43 -5.579 -5.896 -6.660 1.00 0.00 O ATOM 671 CB SER A 43 -3.230 -6.720 -8.923 1.00 0.00 C ATOM 672 OG SER A 43 -4.165 -6.256 -9.873 1.00 0.00 O ATOM 0 H SER A 43 -5.624 -7.673 -8.831 1.00 0.00 H new ATOM 0 HA SER A 43 -3.217 -7.896 -7.112 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.576 -5.901 -8.625 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.598 -7.484 -9.376 1.00 0.00 H new ATOM 0 HG SER A 43 -3.690 -5.893 -10.649 1.00 0.00 H new ATOM 678 N VAL A 44 -3.458 -5.673 -5.910 1.00 0.00 N ATOM 679 CA VAL A 44 -3.753 -4.797 -4.774 1.00 0.00 C ATOM 680 C VAL A 44 -3.171 -3.393 -4.988 1.00 0.00 C ATOM 681 O VAL A 44 -1.977 -3.254 -5.236 1.00 0.00 O ATOM 682 CB VAL A 44 -3.224 -5.452 -3.484 1.00 0.00 C ATOM 683 CG1 VAL A 44 -3.458 -4.563 -2.255 1.00 0.00 C ATOM 684 CG2 VAL A 44 -3.940 -6.788 -3.237 1.00 0.00 C ATOM 0 H VAL A 44 -2.460 -5.843 -6.037 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.832 -4.670 -4.683 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.153 -5.602 -3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.071 -5.061 -1.366 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.944 -3.612 -2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.526 -4.384 -2.134 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.558 -7.242 -2.323 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.011 -6.613 -3.135 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.760 -7.458 -4.077 1.00 0.00 H new ATOM 694 N GLU A 45 -4.010 -2.357 -4.868 1.00 0.00 N ATOM 695 CA GLU A 45 -3.670 -0.958 -5.095 1.00 0.00 C ATOM 696 C GLU A 45 -3.428 -0.244 -3.761 1.00 0.00 C ATOM 697 O GLU A 45 -4.380 0.049 -3.036 1.00 0.00 O ATOM 698 CB GLU A 45 -4.821 -0.256 -5.830 1.00 0.00 C ATOM 699 CG GLU A 45 -5.447 -1.111 -6.931 1.00 0.00 C ATOM 700 CD GLU A 45 -6.425 -0.281 -7.758 1.00 0.00 C ATOM 701 OE1 GLU A 45 -5.933 0.541 -8.565 1.00 0.00 O ATOM 702 OE2 GLU A 45 -7.644 -0.473 -7.560 1.00 0.00 O ATOM 0 H GLU A 45 -4.986 -2.483 -4.598 1.00 0.00 H new ATOM 0 HA GLU A 45 -2.763 -0.918 -5.697 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -5.591 0.016 -5.108 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.452 0.672 -6.266 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.666 -1.514 -7.576 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.965 -1.962 -6.489 1.00 0.00 H new ATOM 709 N VAL A 46 -2.162 0.034 -3.437 1.00 0.00 N ATOM 710 CA VAL A 46 -1.766 0.563 -2.134 1.00 0.00 C ATOM 711 C VAL A 46 -1.303 2.012 -2.282 1.00 0.00 C ATOM 712 O VAL A 46 -0.447 2.291 -3.119 1.00 0.00 O ATOM 713 CB VAL A 46 -0.659 -0.315 -1.532 1.00 0.00 C ATOM 714 CG1 VAL A 46 -0.448 0.022 -0.052 1.00 0.00 C ATOM 715 CG2 VAL A 46 -1.026 -1.799 -1.624 1.00 0.00 C ATOM 0 H VAL A 46 -1.380 -0.103 -4.077 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.620 0.547 -1.457 1.00 0.00 H new ATOM 0 HB VAL A 46 0.250 -0.119 -2.100 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.340 -0.611 0.356 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -0.160 1.069 0.045 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.374 -0.152 0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.226 -2.399 -1.191 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.952 -1.979 -1.077 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.162 -2.076 -2.669 1.00 0.00 H new ATOM 725 N VAL A 47 -1.874 2.927 -1.488 1.00 0.00 N ATOM 726 CA VAL A 47 -1.663 4.370 -1.641 1.00 0.00 C ATOM 727 C VAL A 47 -1.318 4.996 -0.282 1.00 0.00 C ATOM 728 O VAL A 47 -1.876 4.563 0.725 1.00 0.00 O ATOM 729 CB VAL A 47 -2.933 5.024 -2.217 1.00 0.00 C ATOM 730 CG1 VAL A 47 -2.647 6.401 -2.826 1.00 0.00 C ATOM 731 CG2 VAL A 47 -3.607 4.165 -3.298 1.00 0.00 C ATOM 0 H VAL A 47 -2.498 2.685 -0.718 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.833 4.539 -2.327 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.605 5.124 -1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.571 6.824 -3.220 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.244 7.062 -2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.922 6.298 -3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -4.496 4.676 -3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -2.912 4.006 -4.122 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.892 3.203 -2.873 1.00 0.00 H new ATOM 741 N ALA A 48 -0.384 5.963 -0.251 1.00 0.00 N ATOM 742 CA ALA A 48 0.214 6.428 1.006 1.00 0.00 C ATOM 743 C ALA A 48 0.867 7.810 0.865 1.00 0.00 C ATOM 744 O ALA A 48 1.702 7.969 -0.022 1.00 0.00 O ATOM 745 CB ALA A 48 1.310 5.422 1.368 1.00 0.00 C ATOM 0 H ALA A 48 -0.030 6.435 -1.083 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.566 6.506 1.763 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.788 5.724 2.300 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.870 4.432 1.490 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.054 5.392 0.572 1.00 0.00 H new ATOM 751 N CYS A 49 0.537 8.779 1.738 1.00 0.00 N ATOM 752 CA CYS A 49 1.055 10.157 1.710 1.00 0.00 C ATOM 753 C CYS A 49 2.233 10.384 2.660 1.00 0.00 C ATOM 754 O CYS A 49 2.635 9.483 3.388 1.00 0.00 O ATOM 755 CB CYS A 49 -0.095 11.122 2.027 1.00 0.00 C ATOM 756 SG CYS A 49 -1.352 11.243 0.729 1.00 0.00 S ATOM 0 H CYS A 49 -0.117 8.619 2.504 1.00 0.00 H new ATOM 0 HA CYS A 49 1.447 10.344 0.710 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -0.575 10.803 2.952 1.00 0.00 H new ATOM 0 HB3 CYS A 49 0.319 12.114 2.208 1.00 0.00 H new ATOM 761 N GLY A 50 2.780 11.606 2.644 1.00 0.00 N ATOM 762 CA GLY A 50 3.863 12.050 3.513 1.00 0.00 C ATOM 763 C GLY A 50 5.156 12.234 2.725 1.00 0.00 C ATOM 764 O GLY A 50 5.162 12.132 1.499 1.00 0.00 O ATOM 0 H GLY A 50 2.466 12.333 2.002 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.588 12.990 3.992 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.018 11.321 4.308 1.00 0.00 H new ATOM 768 N GLU A 51 6.251 12.495 3.445 1.00 0.00 N ATOM 769 CA GLU A 51 7.599 12.488 2.902 1.00 0.00 C ATOM 770 C GLU A 51 7.960 11.048 2.522 1.00 0.00 C ATOM 771 O GLU A 51 7.856 10.141 3.346 1.00 0.00 O ATOM 772 CB GLU A 51 8.608 13.128 3.875 1.00 0.00 C ATOM 773 CG GLU A 51 8.502 12.712 5.354 1.00 0.00 C ATOM 774 CD GLU A 51 7.557 13.606 6.163 1.00 0.00 C ATOM 775 OE1 GLU A 51 6.328 13.402 6.048 1.00 0.00 O ATOM 776 OE2 GLU A 51 8.081 14.483 6.883 1.00 0.00 O ATOM 0 H GLU A 51 6.217 12.720 4.439 1.00 0.00 H new ATOM 0 HA GLU A 51 7.643 13.104 2.004 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.613 12.892 3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.497 14.211 3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.155 11.680 5.411 1.00 0.00 H new ATOM 0 HG3 GLU A 51 9.494 12.740 5.805 1.00 0.00 H new ATOM 783 N GLU A 52 8.342 10.846 1.255 1.00 0.00 N ATOM 784 CA GLU A 52 8.499 9.538 0.621 1.00 0.00 C ATOM 785 C GLU A 52 9.401 8.607 1.431 1.00 0.00 C ATOM 786 O GLU A 52 9.131 7.415 1.563 1.00 0.00 O ATOM 787 CB GLU A 52 9.062 9.717 -0.795 1.00 0.00 C ATOM 788 CG GLU A 52 8.301 8.821 -1.782 1.00 0.00 C ATOM 789 CD GLU A 52 8.772 9.011 -3.220 1.00 0.00 C ATOM 790 OE1 GLU A 52 8.758 10.175 -3.675 1.00 0.00 O ATOM 791 OE2 GLU A 52 9.126 7.987 -3.845 1.00 0.00 O ATOM 0 H GLU A 52 8.557 11.618 0.624 1.00 0.00 H new ATOM 0 HA GLU A 52 7.515 9.072 0.574 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.977 10.760 -1.099 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.123 9.466 -0.807 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.430 7.777 -1.495 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.235 9.040 -1.720 1.00 0.00 H new ATOM 798 N GLY A 53 10.478 9.182 1.972 1.00 0.00 N ATOM 799 CA GLY A 53 11.420 8.539 2.865 1.00 0.00 C ATOM 800 C GLY A 53 10.725 7.699 3.938 1.00 0.00 C ATOM 801 O GLY A 53 11.059 6.529 4.115 1.00 0.00 O ATOM 0 H GLY A 53 10.720 10.155 1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 53 12.089 7.903 2.286 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.038 9.298 3.345 1.00 0.00 H new ATOM 805 N GLN A 54 9.746 8.293 4.636 1.00 0.00 N ATOM 806 CA GLN A 54 8.948 7.594 5.634 1.00 0.00 C ATOM 807 C GLN A 54 8.110 6.499 4.978 1.00 0.00 C ATOM 808 O GLN A 54 8.162 5.352 5.418 1.00 0.00 O ATOM 809 CB GLN A 54 8.045 8.567 6.405 1.00 0.00 C ATOM 810 CG GLN A 54 8.811 9.316 7.504 1.00 0.00 C ATOM 811 CD GLN A 54 7.876 10.132 8.395 1.00 0.00 C ATOM 812 OE1 GLN A 54 7.970 11.355 8.445 1.00 0.00 O ATOM 813 NE2 GLN A 54 6.979 9.455 9.118 1.00 0.00 N ATOM 0 H GLN A 54 9.491 9.274 4.519 1.00 0.00 H new ATOM 0 HA GLN A 54 9.633 7.133 6.346 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.612 9.287 5.711 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.217 8.016 6.851 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.362 8.601 8.115 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.547 9.978 7.047 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.931 8.438 9.049 1.00 0.00 H new ATOM 0 HE22 GLN A 54 6.342 9.955 9.738 1.00 0.00 H new ATOM 822 N VAL A 55 7.343 6.856 3.941 1.00 0.00 N ATOM 823 CA VAL A 55 6.454 5.944 3.229 1.00 0.00 C ATOM 824 C VAL A 55 7.150 4.620 2.899 1.00 0.00 C ATOM 825 O VAL A 55 6.577 3.551 3.108 1.00 0.00 O ATOM 826 CB VAL A 55 5.930 6.614 1.944 1.00 0.00 C ATOM 827 CG1 VAL A 55 4.987 5.664 1.192 1.00 0.00 C ATOM 828 CG2 VAL A 55 5.204 7.929 2.246 1.00 0.00 C ATOM 0 H VAL A 55 7.326 7.806 3.570 1.00 0.00 H new ATOM 0 HA VAL A 55 5.612 5.716 3.882 1.00 0.00 H new ATOM 0 HB VAL A 55 6.794 6.840 1.319 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.625 6.152 0.287 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.525 4.754 0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.141 5.411 1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.849 8.371 1.315 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.355 7.734 2.901 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.890 8.619 2.737 1.00 0.00 H new ATOM 838 N GLU A 56 8.388 4.696 2.392 1.00 0.00 N ATOM 839 CA GLU A 56 9.129 3.533 1.935 1.00 0.00 C ATOM 840 C GLU A 56 9.445 2.548 3.066 1.00 0.00 C ATOM 841 O GLU A 56 9.526 1.351 2.796 1.00 0.00 O ATOM 842 CB GLU A 56 10.383 3.959 1.164 1.00 0.00 C ATOM 843 CG GLU A 56 10.931 2.792 0.328 1.00 0.00 C ATOM 844 CD GLU A 56 12.221 3.150 -0.405 1.00 0.00 C ATOM 845 OE1 GLU A 56 12.277 4.270 -0.957 1.00 0.00 O ATOM 846 OE2 GLU A 56 13.126 2.287 -0.407 1.00 0.00 O ATOM 0 H GLU A 56 8.898 5.574 2.291 1.00 0.00 H new ATOM 0 HA GLU A 56 8.484 2.987 1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.147 4.800 0.512 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.146 4.302 1.863 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.113 1.937 0.979 1.00 0.00 H new ATOM 0 HG3 GLU A 56 10.178 2.485 -0.398 1.00 0.00 H new ATOM 853 N LYS A 57 9.592 3.010 4.319 1.00 0.00 N ATOM 854 CA LYS A 57 9.901 2.122 5.439 1.00 0.00 C ATOM 855 C LYS A 57 8.883 0.984 5.540 1.00 0.00 C ATOM 856 O LYS A 57 9.272 -0.170 5.709 1.00 0.00 O ATOM 857 CB LYS A 57 9.982 2.884 6.770 1.00 0.00 C ATOM 858 CG LYS A 57 10.938 4.086 6.780 1.00 0.00 C ATOM 859 CD LYS A 57 12.314 3.784 6.177 1.00 0.00 C ATOM 860 CE LYS A 57 13.234 4.997 6.345 1.00 0.00 C ATOM 861 NZ LYS A 57 14.491 4.826 5.597 1.00 0.00 N ATOM 0 H LYS A 57 9.501 3.993 4.576 1.00 0.00 H new ATOM 0 HA LYS A 57 10.883 1.693 5.240 1.00 0.00 H new ATOM 0 HB2 LYS A 57 8.983 3.233 7.032 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.291 2.188 7.550 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.481 4.907 6.227 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.068 4.427 7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.752 2.914 6.666 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.212 3.538 5.120 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.722 5.895 5.998 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.455 5.144 7.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.092 5.664 5.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.990 3.983 5.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.280 4.710 4.585 1.00 0.00 H new ATOM 875 N LEU A 58 7.588 1.297 5.403 1.00 0.00 N ATOM 876 CA LEU A 58 6.534 0.290 5.418 1.00 0.00 C ATOM 877 C LEU A 58 6.512 -0.508 4.109 1.00 0.00 C ATOM 878 O LEU A 58 6.126 -1.674 4.114 1.00 0.00 O ATOM 879 CB LEU A 58 5.179 0.929 5.773 1.00 0.00 C ATOM 880 CG LEU A 58 4.299 1.344 4.579 1.00 0.00 C ATOM 881 CD1 LEU A 58 3.295 0.237 4.230 1.00 0.00 C ATOM 882 CD2 LEU A 58 3.518 2.616 4.905 1.00 0.00 C ATOM 0 H LEU A 58 7.249 2.251 5.280 1.00 0.00 H new ATOM 0 HA LEU A 58 6.747 -0.436 6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.617 0.225 6.387 1.00 0.00 H new ATOM 0 HB3 LEU A 58 5.364 1.810 6.387 1.00 0.00 H new ATOM 0 HG LEU A 58 4.961 1.520 3.731 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.685 0.553 3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.834 -0.674 3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.652 0.045 5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.902 2.894 4.050 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.879 2.439 5.770 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.215 3.424 5.128 1.00 0.00 H new ATOM 894 N MET A 59 6.926 0.098 2.987 1.00 0.00 N ATOM 895 CA MET A 59 6.940 -0.592 1.706 1.00 0.00 C ATOM 896 C MET A 59 7.985 -1.700 1.665 1.00 0.00 C ATOM 897 O MET A 59 7.787 -2.673 0.936 1.00 0.00 O ATOM 898 CB MET A 59 7.055 0.357 0.511 1.00 0.00 C ATOM 899 CG MET A 59 5.905 1.375 0.469 1.00 0.00 C ATOM 900 SD MET A 59 5.060 1.532 -1.130 1.00 0.00 S ATOM 901 CE MET A 59 6.405 2.169 -2.161 1.00 0.00 C ATOM 0 H MET A 59 7.254 1.063 2.949 1.00 0.00 H new ATOM 0 HA MET A 59 5.964 -1.069 1.612 1.00 0.00 H new ATOM 0 HB2 MET A 59 8.006 0.887 0.560 1.00 0.00 H new ATOM 0 HB3 MET A 59 7.060 -0.222 -0.412 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.169 1.097 1.224 1.00 0.00 H new ATOM 0 HG3 MET A 59 6.297 2.352 0.751 1.00 0.00 H new ATOM 0 HE1 MET A 59 6.044 2.319 -3.178 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.755 3.119 -1.757 1.00 0.00 H new ATOM 0 HE3 MET A 59 7.227 1.453 -2.170 1.00 0.00 H new ATOM 911 N GLN A 60 9.053 -1.597 2.471 1.00 0.00 N ATOM 912 CA GLN A 60 9.941 -2.726 2.711 1.00 0.00 C ATOM 913 C GLN A 60 9.091 -3.952 3.062 1.00 0.00 C ATOM 914 O GLN A 60 9.220 -4.992 2.422 1.00 0.00 O ATOM 915 CB GLN A 60 10.973 -2.407 3.808 1.00 0.00 C ATOM 916 CG GLN A 60 11.839 -1.192 3.436 1.00 0.00 C ATOM 917 CD GLN A 60 13.049 -1.032 4.354 1.00 0.00 C ATOM 918 OE1 GLN A 60 12.898 -0.763 5.543 1.00 0.00 O ATOM 919 NE2 GLN A 60 14.257 -1.175 3.802 1.00 0.00 N ATOM 0 H GLN A 60 9.315 -0.743 2.963 1.00 0.00 H new ATOM 0 HA GLN A 60 10.515 -2.938 1.809 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.457 -2.212 4.748 1.00 0.00 H new ATOM 0 HB3 GLN A 60 11.613 -3.275 3.970 1.00 0.00 H new ATOM 0 HG2 GLN A 60 12.180 -1.295 2.406 1.00 0.00 H new ATOM 0 HG3 GLN A 60 11.231 -0.289 3.482 1.00 0.00 H new ATOM 0 HE21 GLN A 60 14.341 -1.399 2.810 1.00 0.00 H new ATOM 0 HE22 GLN A 60 15.095 -1.061 4.372 1.00 0.00 H new ATOM 928 N TRP A 61 8.201 -3.826 4.056 1.00 0.00 N ATOM 929 CA TRP A 61 7.350 -4.921 4.473 1.00 0.00 C ATOM 930 C TRP A 61 6.396 -5.377 3.350 1.00 0.00 C ATOM 931 O TRP A 61 6.190 -6.577 3.208 1.00 0.00 O ATOM 932 CB TRP A 61 6.608 -4.591 5.763 1.00 0.00 C ATOM 933 CG TRP A 61 5.396 -5.435 5.976 1.00 0.00 C ATOM 934 CD1 TRP A 61 5.360 -6.719 6.397 1.00 0.00 C ATOM 935 CD2 TRP A 61 4.044 -5.107 5.577 1.00 0.00 C ATOM 936 NE1 TRP A 61 4.077 -7.216 6.258 1.00 0.00 N ATOM 937 CE2 TRP A 61 3.230 -6.265 5.718 1.00 0.00 C ATOM 938 CE3 TRP A 61 3.450 -3.947 5.051 1.00 0.00 C ATOM 939 CZ2 TRP A 61 1.880 -6.275 5.341 1.00 0.00 C ATOM 940 CZ3 TRP A 61 2.081 -3.929 4.720 1.00 0.00 C ATOM 941 CH2 TRP A 61 1.308 -5.100 4.830 1.00 0.00 C ATOM 0 H TRP A 61 8.060 -2.964 4.583 1.00 0.00 H new ATOM 0 HA TRP A 61 7.999 -5.770 4.686 1.00 0.00 H new ATOM 0 HB2 TRP A 61 7.285 -4.720 6.607 1.00 0.00 H new ATOM 0 HB3 TRP A 61 6.314 -3.542 5.747 1.00 0.00 H new ATOM 0 HD1 TRP A 61 6.204 -7.272 6.783 1.00 0.00 H new ATOM 0 HE1 TRP A 61 3.793 -8.160 6.519 1.00 0.00 H new ATOM 0 HE3 TRP A 61 4.049 -3.061 4.899 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 1.289 -7.173 5.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 1.622 -3.012 4.380 1.00 0.00 H new ATOM 0 HH2 TRP A 61 0.273 -5.094 4.521 1.00 0.00 H new ATOM 952 N LEU A 62 5.794 -4.459 2.570 1.00 0.00 N ATOM 953 CA LEU A 62 4.915 -4.840 1.457 1.00 0.00 C ATOM 954 C LEU A 62 5.653 -5.785 0.511 1.00 0.00 C ATOM 955 O LEU A 62 5.174 -6.880 0.226 1.00 0.00 O ATOM 956 CB LEU A 62 4.389 -3.616 0.682 1.00 0.00 C ATOM 957 CG LEU A 62 3.113 -3.039 1.314 1.00 0.00 C ATOM 958 CD1 LEU A 62 3.008 -1.524 1.124 1.00 0.00 C ATOM 959 CD2 LEU A 62 1.864 -3.690 0.707 1.00 0.00 C ATOM 0 H LEU A 62 5.902 -3.452 2.693 1.00 0.00 H new ATOM 0 HA LEU A 62 4.050 -5.348 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.160 -2.846 0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.185 -3.901 -0.350 1.00 0.00 H new ATOM 0 HG LEU A 62 3.173 -3.256 2.380 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.090 -1.162 1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.866 -1.039 1.590 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.993 -1.291 0.059 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.972 -3.267 1.169 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.841 -3.502 -0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.890 -4.765 0.886 1.00 0.00 H new ATOM 1101 N VAL A 72 3.323 -12.782 -5.667 1.00 0.00 N ATOM 1102 CA VAL A 72 3.619 -11.378 -5.930 1.00 0.00 C ATOM 1103 C VAL A 72 4.378 -11.293 -7.256 1.00 0.00 C ATOM 1104 O VAL A 72 5.599 -11.442 -7.279 1.00 0.00 O ATOM 1105 CB VAL A 72 4.435 -10.776 -4.766 1.00 0.00 C ATOM 1106 CG1 VAL A 72 4.754 -9.296 -5.025 1.00 0.00 C ATOM 1107 CG2 VAL A 72 3.675 -10.883 -3.437 1.00 0.00 C ATOM 0 HA VAL A 72 2.699 -10.799 -6.006 1.00 0.00 H new ATOM 0 HB VAL A 72 5.361 -11.348 -4.702 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.329 -8.896 -4.190 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.335 -9.204 -5.943 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.824 -8.736 -5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.277 -10.450 -2.638 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.731 -10.343 -3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.477 -11.931 -3.215 1.00 0.00 H new ATOM 1117 N GLU A 73 3.657 -11.074 -8.360 1.00 0.00 N ATOM 1118 CA GLU A 73 4.248 -11.072 -9.691 1.00 0.00 C ATOM 1119 C GLU A 73 5.179 -9.863 -9.885 1.00 0.00 C ATOM 1120 O GLU A 73 6.305 -10.044 -10.346 1.00 0.00 O ATOM 1121 CB GLU A 73 3.136 -11.122 -10.748 1.00 0.00 C ATOM 1122 CG GLU A 73 2.381 -12.464 -10.770 1.00 0.00 C ATOM 1123 CD GLU A 73 3.166 -13.623 -11.386 1.00 0.00 C ATOM 1124 OE1 GLU A 73 4.072 -14.143 -10.700 1.00 0.00 O ATOM 1125 OE2 GLU A 73 2.821 -13.999 -12.528 1.00 0.00 O ATOM 0 H GLU A 73 2.653 -10.895 -8.351 1.00 0.00 H new ATOM 0 HA GLU A 73 4.868 -11.961 -9.808 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.427 -10.316 -10.558 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.570 -10.940 -11.731 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.107 -12.729 -9.749 1.00 0.00 H new ATOM 0 HG3 GLU A 73 1.452 -12.335 -11.326 1.00 0.00 H new ATOM 1132 N ARG A 74 4.735 -8.641 -9.545 1.00 0.00 N ATOM 1133 CA ARG A 74 5.527 -7.414 -9.693 1.00 0.00 C ATOM 1134 C ARG A 74 4.878 -6.252 -8.932 1.00 0.00 C ATOM 1135 O ARG A 74 3.706 -6.333 -8.577 1.00 0.00 O ATOM 1136 CB ARG A 74 5.673 -7.051 -11.186 1.00 0.00 C ATOM 1137 CG ARG A 74 7.122 -7.158 -11.674 1.00 0.00 C ATOM 1138 CD ARG A 74 7.243 -6.830 -13.168 1.00 0.00 C ATOM 1139 NE ARG A 74 6.614 -7.859 -14.011 1.00 0.00 N ATOM 1140 CZ ARG A 74 5.376 -7.821 -14.538 1.00 0.00 C ATOM 1141 NH1 ARG A 74 4.547 -6.792 -14.307 1.00 0.00 N ATOM 1142 NH2 ARG A 74 4.963 -8.838 -15.307 1.00 0.00 N ATOM 0 H ARG A 74 3.806 -8.479 -9.156 1.00 0.00 H new ATOM 0 HA ARG A 74 6.516 -7.593 -9.271 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.042 -7.711 -11.781 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.312 -6.035 -11.347 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.751 -6.477 -11.100 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.494 -8.166 -11.491 1.00 0.00 H new ATOM 0 HD2 ARG A 74 6.777 -5.865 -13.366 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.296 -6.737 -13.435 1.00 0.00 H new ATOM 0 HE ARG A 74 7.174 -8.686 -14.217 1.00 0.00 H new ATOM 0 HH11 ARG A 74 4.850 -6.015 -13.720 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.614 -6.787 -14.718 1.00 0.00 H new ATOM 0 HH21 ARG A 74 5.584 -9.627 -15.486 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.027 -8.823 -15.713 1.00 0.00 H new ATOM 1156 N VAL A 75 5.636 -5.169 -8.694 1.00 0.00 N ATOM 1157 CA VAL A 75 5.157 -3.958 -8.027 1.00 0.00 C ATOM 1158 C VAL A 75 5.466 -2.728 -8.891 1.00 0.00 C ATOM 1159 O VAL A 75 6.638 -2.433 -9.118 1.00 0.00 O ATOM 1160 CB VAL A 75 5.792 -3.825 -6.632 1.00 0.00 C ATOM 1161 CG1 VAL A 75 5.205 -2.609 -5.899 1.00 0.00 C ATOM 1162 CG2 VAL A 75 5.519 -5.078 -5.786 1.00 0.00 C ATOM 0 H VAL A 75 6.617 -5.115 -8.967 1.00 0.00 H new ATOM 0 HA VAL A 75 4.077 -4.027 -7.898 1.00 0.00 H new ATOM 0 HB VAL A 75 6.867 -3.703 -6.766 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.661 -2.524 -4.913 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.409 -1.705 -6.473 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.128 -2.734 -5.791 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.978 -4.961 -4.804 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.443 -5.212 -5.671 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.942 -5.951 -6.282 1.00 0.00 H new ATOM 1172 N LEU A 76 4.430 -2.009 -9.351 1.00 0.00 N ATOM 1173 CA LEU A 76 4.563 -0.796 -10.155 1.00 0.00 C ATOM 1174 C LEU A 76 4.212 0.430 -9.314 1.00 0.00 C ATOM 1175 O LEU A 76 3.050 0.614 -8.961 1.00 0.00 O ATOM 1176 CB LEU A 76 3.652 -0.877 -11.389 1.00 0.00 C ATOM 1177 CG LEU A 76 4.147 0.007 -12.548 1.00 0.00 C ATOM 1178 CD1 LEU A 76 3.395 -0.375 -13.828 1.00 0.00 C ATOM 1179 CD2 LEU A 76 3.951 1.504 -12.293 1.00 0.00 C ATOM 0 H LEU A 76 3.460 -2.264 -9.168 1.00 0.00 H new ATOM 0 HA LEU A 76 5.596 -0.705 -10.491 1.00 0.00 H new ATOM 0 HB2 LEU A 76 3.593 -1.912 -11.726 1.00 0.00 H new ATOM 0 HB3 LEU A 76 2.642 -0.574 -11.111 1.00 0.00 H new ATOM 0 HG LEU A 76 5.218 -0.169 -12.644 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.741 0.248 -14.653 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.583 -1.423 -14.061 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.326 -0.222 -13.681 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.321 2.070 -13.148 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.891 1.713 -12.150 1.00 0.00 H new ATOM 0 HD23 LEU A 76 4.502 1.796 -11.399 1.00 0.00 H new ATOM 1191 N SER A 77 5.211 1.269 -9.018 1.00 0.00 N ATOM 1192 CA SER A 77 5.028 2.494 -8.244 1.00 0.00 C ATOM 1193 C SER A 77 5.050 3.727 -9.148 1.00 0.00 C ATOM 1194 O SER A 77 5.902 3.843 -10.027 1.00 0.00 O ATOM 1195 CB SER A 77 6.123 2.641 -7.192 1.00 0.00 C ATOM 1196 OG SER A 77 6.259 1.463 -6.422 1.00 0.00 O ATOM 0 H SER A 77 6.175 1.113 -9.313 1.00 0.00 H new ATOM 0 HA SER A 77 4.057 2.421 -7.755 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.070 2.870 -7.680 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.890 3.481 -6.537 1.00 0.00 H new ATOM 0 HG SER A 77 6.969 1.587 -5.758 1.00 0.00 H new ATOM 1202 N GLU A 78 4.128 4.654 -8.882 1.00 0.00 N ATOM 1203 CA GLU A 78 3.949 5.918 -9.594 1.00 0.00 C ATOM 1204 C GLU A 78 3.634 7.037 -8.593 1.00 0.00 C ATOM 1205 O GLU A 78 3.191 6.750 -7.483 1.00 0.00 O ATOM 1206 CB GLU A 78 2.801 5.773 -10.608 1.00 0.00 C ATOM 1207 CG GLU A 78 3.284 5.146 -11.923 1.00 0.00 C ATOM 1208 CD GLU A 78 2.163 5.017 -12.952 1.00 0.00 C ATOM 1209 OE1 GLU A 78 1.435 6.016 -13.135 1.00 0.00 O ATOM 1210 OE2 GLU A 78 2.055 3.920 -13.542 1.00 0.00 O ATOM 0 H GLU A 78 3.453 4.536 -8.126 1.00 0.00 H new ATOM 0 HA GLU A 78 4.866 6.172 -10.126 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.011 5.156 -10.179 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.367 6.752 -10.809 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.087 5.754 -12.339 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.703 4.160 -11.720 1.00 0.00 H new ATOM 1217 N PRO A 79 3.831 8.314 -8.965 1.00 0.00 N ATOM 1218 CA PRO A 79 3.472 9.454 -8.134 1.00 0.00 C ATOM 1219 C PRO A 79 1.954 9.662 -8.141 1.00 0.00 C ATOM 1220 O PRO A 79 1.343 9.715 -9.207 1.00 0.00 O ATOM 1221 CB PRO A 79 4.200 10.646 -8.761 1.00 0.00 C ATOM 1222 CG PRO A 79 4.272 10.273 -10.242 1.00 0.00 C ATOM 1223 CD PRO A 79 4.456 8.756 -10.204 1.00 0.00 C ATOM 0 HA PRO A 79 3.756 9.315 -7.091 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.655 11.577 -8.607 1.00 0.00 H new ATOM 0 HB3 PRO A 79 5.193 10.783 -8.332 1.00 0.00 H new ATOM 0 HG2 PRO A 79 3.364 10.557 -10.775 1.00 0.00 H new ATOM 0 HG3 PRO A 79 5.104 10.768 -10.743 1.00 0.00 H new ATOM 0 HD2 PRO A 79 3.989 8.283 -11.068 1.00 0.00 H new ATOM 0 HD3 PRO A 79 5.513 8.489 -10.226 1.00 0.00 H new ATOM 1231 N HIS A 80 1.348 9.785 -6.953 1.00 0.00 N ATOM 1232 CA HIS A 80 -0.081 10.017 -6.780 1.00 0.00 C ATOM 1233 C HIS A 80 -0.303 11.370 -6.100 1.00 0.00 C ATOM 1234 O HIS A 80 0.013 11.509 -4.924 1.00 0.00 O ATOM 1235 CB HIS A 80 -0.632 8.871 -5.925 1.00 0.00 C ATOM 1236 CG HIS A 80 -2.132 8.762 -5.914 1.00 0.00 C ATOM 1237 ND1 HIS A 80 -2.855 8.305 -7.004 1.00 0.00 N ATOM 1238 CD2 HIS A 80 -3.016 9.001 -4.893 1.00 0.00 C ATOM 1239 CE1 HIS A 80 -4.140 8.273 -6.618 1.00 0.00 C ATOM 1240 NE2 HIS A 80 -4.281 8.687 -5.348 1.00 0.00 N ATOM 0 H HIS A 80 1.854 9.724 -6.069 1.00 0.00 H new ATOM 0 HA HIS A 80 -0.597 10.042 -7.740 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.215 7.932 -6.288 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.283 8.999 -4.900 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.767 9.369 -3.909 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.957 7.955 -7.249 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -5.152 8.756 -4.822 1.00 0.00 H new ATOM 1249 N HIS A 81 -0.843 12.373 -6.806 1.00 0.00 N ATOM 1250 CA HIS A 81 -1.104 13.687 -6.218 1.00 0.00 C ATOM 1251 C HIS A 81 -2.612 13.914 -6.020 1.00 0.00 C ATOM 1252 O HIS A 81 -3.229 14.588 -6.843 1.00 0.00 O ATOM 1253 CB HIS A 81 -0.468 14.778 -7.092 1.00 0.00 C ATOM 1254 CG HIS A 81 -0.440 16.130 -6.417 1.00 0.00 C ATOM 1255 ND1 HIS A 81 0.162 16.335 -5.184 1.00 0.00 N ATOM 1256 CD2 HIS A 81 -0.951 17.331 -6.837 1.00 0.00 C ATOM 1257 CE1 HIS A 81 -0.004 17.634 -4.892 1.00 0.00 C ATOM 1258 NE2 HIS A 81 -0.667 18.275 -5.867 1.00 0.00 N ATOM 0 H HIS A 81 -1.107 12.295 -7.788 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.648 13.734 -5.229 1.00 0.00 H new ATOM 0 HB2 HIS A 81 0.550 14.484 -7.348 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -1.022 14.856 -8.028 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -1.481 17.508 -7.761 1.00 0.00 H new ATOM 0 HE1 HIS A 81 0.351 18.104 -3.987 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.913 19.265 -5.888 1.00 0.00 H new ATOM 1267 N PRO A 82 -3.227 13.378 -4.951 1.00 0.00 N ATOM 1268 CA PRO A 82 -4.649 13.547 -4.687 1.00 0.00 C ATOM 1269 C PRO A 82 -4.953 14.978 -4.234 1.00 0.00 C ATOM 1270 O PRO A 82 -4.060 15.707 -3.802 1.00 0.00 O ATOM 1271 CB PRO A 82 -4.984 12.529 -3.592 1.00 0.00 C ATOM 1272 CG PRO A 82 -3.673 12.422 -2.817 1.00 0.00 C ATOM 1273 CD PRO A 82 -2.629 12.540 -3.924 1.00 0.00 C ATOM 0 HA PRO A 82 -5.252 13.381 -5.580 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.802 12.871 -2.958 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.286 11.569 -4.011 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -3.572 13.216 -2.077 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.593 11.476 -2.282 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -1.708 12.984 -3.546 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -2.370 11.559 -4.323 1.00 0.00 H new ATOM 1281 N SER A 83 -6.228 15.370 -4.342 1.00 0.00 N ATOM 1282 CA SER A 83 -6.713 16.683 -3.943 1.00 0.00 C ATOM 1283 C SER A 83 -7.018 16.708 -2.444 1.00 0.00 C ATOM 1284 O SER A 83 -7.425 15.696 -1.873 1.00 0.00 O ATOM 1285 CB SER A 83 -7.948 17.053 -4.772 1.00 0.00 C ATOM 1286 OG SER A 83 -9.005 16.141 -4.551 1.00 0.00 O ATOM 0 H SER A 83 -6.960 14.767 -4.717 1.00 0.00 H new ATOM 0 HA SER A 83 -5.938 17.426 -4.133 1.00 0.00 H new ATOM 0 HB2 SER A 83 -8.274 18.061 -4.514 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.689 17.063 -5.831 1.00 0.00 H new ATOM 0 HG SER A 83 -9.780 16.402 -5.091 1.00 0.00 H new ATOM 1292 N GLY A 84 -6.819 17.872 -1.812 1.00 0.00 N ATOM 1293 CA GLY A 84 -7.058 18.074 -0.390 1.00 0.00 C ATOM 1294 C GLY A 84 -6.129 17.226 0.481 1.00 0.00 C ATOM 1295 O GLY A 84 -5.198 16.595 -0.019 1.00 0.00 O ATOM 0 H GLY A 84 -6.482 18.709 -2.288 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.919 19.127 -0.147 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.094 17.827 -0.159 1.00 0.00 H new ATOM 1299 N GLU A 85 -6.394 17.220 1.794 1.00 0.00 N ATOM 1300 CA GLU A 85 -5.677 16.410 2.768 1.00 0.00 C ATOM 1301 C GLU A 85 -6.548 15.230 3.205 1.00 0.00 C ATOM 1302 O GLU A 85 -7.741 15.386 3.462 1.00 0.00 O ATOM 1303 CB GLU A 85 -5.205 17.265 3.953 1.00 0.00 C ATOM 1304 CG GLU A 85 -6.337 17.934 4.747 1.00 0.00 C ATOM 1305 CD GLU A 85 -5.810 18.823 5.873 1.00 0.00 C ATOM 1306 OE1 GLU A 85 -4.664 18.583 6.316 1.00 0.00 O ATOM 1307 OE2 GLU A 85 -6.568 19.732 6.276 1.00 0.00 O ATOM 0 H GLU A 85 -7.129 17.792 2.210 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.778 16.002 2.306 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.626 16.637 4.630 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -4.533 18.038 3.582 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.948 18.532 4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.986 17.166 5.167 1.00 0.00 H new ATOM 1314 N LEU A 86 -5.934 14.046 3.282 1.00 0.00 N ATOM 1315 CA LEU A 86 -6.548 12.837 3.807 1.00 0.00 C ATOM 1316 C LEU A 86 -6.466 12.852 5.333 1.00 0.00 C ATOM 1317 O LEU A 86 -5.507 13.368 5.906 1.00 0.00 O ATOM 1318 CB LEU A 86 -5.829 11.606 3.231 1.00 0.00 C ATOM 1319 CG LEU A 86 -6.624 10.827 2.173 1.00 0.00 C ATOM 1320 CD1 LEU A 86 -7.140 11.712 1.030 1.00 0.00 C ATOM 1321 CD2 LEU A 86 -5.728 9.735 1.583 1.00 0.00 C ATOM 0 H LEU A 86 -4.973 13.905 2.972 1.00 0.00 H new ATOM 0 HA LEU A 86 -7.597 12.792 3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -4.885 11.928 2.791 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -5.584 10.930 4.050 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.495 10.406 2.674 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.693 11.100 0.317 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -7.798 12.482 1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -6.297 12.184 0.526 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -6.284 9.176 0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.852 10.192 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.409 9.058 2.376 1.00 0.00 H new ATOM 1333 N THR A 87 -7.480 12.271 5.979 1.00 0.00 N ATOM 1334 CA THR A 87 -7.586 12.166 7.422 1.00 0.00 C ATOM 1335 C THR A 87 -6.695 11.028 7.928 1.00 0.00 C ATOM 1336 O THR A 87 -5.736 11.270 8.657 1.00 0.00 O ATOM 1337 CB THR A 87 -9.064 11.951 7.789 1.00 0.00 C ATOM 1338 OG1 THR A 87 -9.643 10.935 6.991 1.00 0.00 O ATOM 1339 CG2 THR A 87 -9.876 13.230 7.563 1.00 0.00 C ATOM 0 H THR A 87 -8.270 11.850 5.490 1.00 0.00 H new ATOM 0 HA THR A 87 -7.240 13.081 7.903 1.00 0.00 H new ATOM 0 HB THR A 87 -9.088 11.666 8.841 1.00 0.00 H new ATOM 0 HG1 THR A 87 -9.574 10.075 7.456 1.00 0.00 H new ATOM 0 HG21 THR A 87 -10.918 13.052 7.830 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.474 14.031 8.184 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.815 13.519 6.514 1.00 0.00 H new ATOM 1347 N ASP A 88 -7.044 9.791 7.554 1.00 0.00 N ATOM 1348 CA ASP A 88 -6.508 8.559 8.118 1.00 0.00 C ATOM 1349 C ASP A 88 -6.227 7.537 7.015 1.00 0.00 C ATOM 1350 O ASP A 88 -6.698 7.691 5.888 1.00 0.00 O ATOM 1351 CB ASP A 88 -7.528 8.003 9.125 1.00 0.00 C ATOM 1352 CG ASP A 88 -8.809 7.504 8.451 1.00 0.00 C ATOM 1353 OD1 ASP A 88 -9.539 8.355 7.896 1.00 0.00 O ATOM 1354 OD2 ASP A 88 -9.041 6.277 8.499 1.00 0.00 O ATOM 0 H ASP A 88 -7.734 9.621 6.822 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.564 8.764 8.623 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.073 7.185 9.683 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.781 8.780 9.847 1.00 0.00 H new ATOM 1359 N PHE A 89 -5.481 6.478 7.356 1.00 0.00 N ATOM 1360 CA PHE A 89 -5.354 5.297 6.516 1.00 0.00 C ATOM 1361 C PHE A 89 -6.531 4.367 6.790 1.00 0.00 C ATOM 1362 O PHE A 89 -6.942 4.212 7.939 1.00 0.00 O ATOM 1363 CB PHE A 89 -4.020 4.588 6.746 1.00 0.00 C ATOM 1364 CG PHE A 89 -3.893 3.240 6.055 1.00 0.00 C ATOM 1365 CD1 PHE A 89 -3.447 3.150 4.723 1.00 0.00 C ATOM 1366 CD2 PHE A 89 -4.306 2.075 6.727 1.00 0.00 C ATOM 1367 CE1 PHE A 89 -3.431 1.906 4.065 1.00 0.00 C ATOM 1368 CE2 PHE A 89 -4.312 0.837 6.063 1.00 0.00 C ATOM 1369 CZ PHE A 89 -3.887 0.754 4.727 1.00 0.00 C ATOM 0 H PHE A 89 -4.951 6.424 8.225 1.00 0.00 H new ATOM 0 HA PHE A 89 -5.370 5.599 5.469 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.215 5.236 6.400 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.878 4.447 7.818 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.116 4.038 4.205 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.620 2.133 7.759 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.068 1.837 3.050 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -4.644 -0.051 6.580 1.00 0.00 H new ATOM 0 HZ PHE A 89 -3.911 -0.194 4.210 1.00 0.00 H new ATOM 1379 N ARG A 90 -7.062 3.746 5.733 1.00 0.00 N ATOM 1380 CA ARG A 90 -8.257 2.923 5.816 1.00 0.00 C ATOM 1381 C ARG A 90 -8.183 1.798 4.788 1.00 0.00 C ATOM 1382 O ARG A 90 -7.142 1.588 4.172 1.00 0.00 O ATOM 1383 CB ARG A 90 -9.499 3.816 5.679 1.00 0.00 C ATOM 1384 CG ARG A 90 -9.598 4.518 4.315 1.00 0.00 C ATOM 1385 CD ARG A 90 -10.341 5.852 4.440 1.00 0.00 C ATOM 1386 NE ARG A 90 -11.658 5.693 5.072 1.00 0.00 N ATOM 1387 CZ ARG A 90 -12.411 6.710 5.524 1.00 0.00 C ATOM 1388 NH1 ARG A 90 -12.010 7.980 5.375 1.00 0.00 N ATOM 1389 NH2 ARG A 90 -13.578 6.451 6.128 1.00 0.00 N ATOM 0 H ARG A 90 -6.668 3.805 4.794 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.331 2.436 6.789 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -10.392 3.210 5.833 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.485 4.569 6.467 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -8.598 4.690 3.916 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -10.117 3.873 3.606 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -9.740 6.548 5.025 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -10.465 6.292 3.450 1.00 0.00 H new ATOM 0 HE ARG A 90 -12.025 4.747 5.174 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.123 8.184 4.914 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -12.591 8.743 5.723 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -13.890 5.487 6.242 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -14.155 7.218 6.474 1.00 0.00 H new ATOM 1403 N ILE A 91 -9.271 1.043 4.627 1.00 0.00 N ATOM 1404 CA ILE A 91 -9.299 -0.117 3.754 1.00 0.00 C ATOM 1405 C ILE A 91 -10.746 -0.511 3.462 1.00 0.00 C ATOM 1406 O ILE A 91 -11.659 -0.149 4.204 1.00 0.00 O ATOM 1407 CB ILE A 91 -8.490 -1.275 4.382 1.00 0.00 C ATOM 1408 CG1 ILE A 91 -8.376 -2.451 3.398 1.00 0.00 C ATOM 1409 CG2 ILE A 91 -9.081 -1.723 5.727 1.00 0.00 C ATOM 1410 CD1 ILE A 91 -7.292 -3.449 3.797 1.00 0.00 C ATOM 0 H ILE A 91 -10.155 1.224 5.102 1.00 0.00 H new ATOM 0 HA ILE A 91 -8.827 0.126 2.802 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.486 -0.905 4.587 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -9.335 -2.966 3.341 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.161 -2.066 2.401 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.483 -2.538 6.134 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.075 -0.885 6.424 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -10.106 -2.064 5.579 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -7.256 -4.258 3.067 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -6.326 -2.944 3.828 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -7.519 -3.858 4.781 1.00 0.00 H new