USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 266 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 1 SER N :NH3+ 156:sc= 0.0422 (180deg=0.00135) USER MOD Single : A 1 SER OG : rot 180:sc= 0.044 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 104:sc= -0.608 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -131:sc= -0.0214 (180deg=-0.162) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -18.858 10.312 -8.570 1.00 10.00 N ATOM 2 CA SER A 1 -18.399 8.890 -8.504 1.00 10.00 C ATOM 3 C SER A 1 -19.596 7.950 -8.310 1.00 10.00 C ATOM 4 O SER A 1 -19.821 7.053 -9.099 1.00 10.00 O ATOM 5 CB SER A 1 -17.457 8.823 -7.298 1.00 10.00 C ATOM 6 OG SER A 1 -16.372 9.718 -7.498 1.00 10.00 O ATOM 0 H1 SER A 1 -18.077 10.942 -8.296 1.00 10.00 H new ATOM 0 H2 SER A 1 -19.159 10.535 -9.540 1.00 10.00 H new ATOM 0 H3 SER A 1 -19.658 10.449 -7.920 1.00 10.00 H new ATOM 0 HA SER A 1 -17.901 8.579 -9.422 1.00 10.00 H new ATOM 0 HB2 SER A 1 -17.995 9.084 -6.387 1.00 10.00 H new ATOM 0 HB3 SER A 1 -17.085 7.806 -7.168 1.00 10.00 H new ATOM 0 HG SER A 1 -15.769 9.678 -6.727 1.00 10.00 H new ATOM 14 N GLY A 2 -20.362 8.147 -7.264 1.00 10.00 N ATOM 15 CA GLY A 2 -21.541 7.265 -7.015 1.00 10.00 C ATOM 16 C GLY A 2 -21.139 6.140 -6.059 1.00 10.00 C ATOM 17 O GLY A 2 -21.202 6.292 -4.853 1.00 10.00 O ATOM 0 H GLY A 2 -20.220 8.883 -6.572 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -22.360 7.845 -6.589 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -21.902 6.847 -7.955 1.00 10.00 H new ATOM 21 N SER A 3 -20.719 5.017 -6.587 1.00 10.00 N ATOM 22 CA SER A 3 -20.304 3.881 -5.707 1.00 10.00 C ATOM 23 C SER A 3 -18.827 4.033 -5.323 1.00 10.00 C ATOM 24 O SER A 3 -17.947 3.462 -5.940 1.00 10.00 O ATOM 25 CB SER A 3 -20.528 2.616 -6.542 1.00 10.00 C ATOM 26 OG SER A 3 -21.307 1.694 -5.792 1.00 10.00 O ATOM 0 H SER A 3 -20.646 4.838 -7.588 1.00 10.00 H new ATOM 0 HA SER A 3 -20.872 3.846 -4.777 1.00 10.00 H new ATOM 0 HB2 SER A 3 -21.035 2.866 -7.474 1.00 10.00 H new ATOM 0 HB3 SER A 3 -19.571 2.168 -6.810 1.00 10.00 H new ATOM 0 HG SER A 3 -21.455 0.883 -6.322 1.00 10.00 H new ATOM 32 N TRP A 4 -18.552 4.809 -4.306 1.00 10.00 N ATOM 33 CA TRP A 4 -17.138 5.014 -3.869 1.00 10.00 C ATOM 34 C TRP A 4 -16.886 4.282 -2.542 1.00 10.00 C ATOM 35 O TRP A 4 -17.623 3.384 -2.179 1.00 10.00 O ATOM 36 CB TRP A 4 -16.999 6.535 -3.702 1.00 10.00 C ATOM 37 CG TRP A 4 -15.773 7.022 -4.415 1.00 10.00 C ATOM 38 CD1 TRP A 4 -15.320 6.555 -5.602 1.00 10.00 C ATOM 39 CD2 TRP A 4 -14.844 8.070 -4.009 1.00 10.00 C ATOM 40 NE1 TRP A 4 -14.169 7.243 -5.944 1.00 10.00 N ATOM 41 CE2 TRP A 4 -13.837 8.188 -4.996 1.00 10.00 C ATOM 42 CE3 TRP A 4 -14.777 8.918 -2.889 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -12.801 9.115 -4.876 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -13.736 9.853 -2.766 1.00 10.00 C ATOM 45 CH2 TRP A 4 -12.750 9.950 -3.758 1.00 10.00 C ATOM 0 H TRP A 4 -19.249 5.312 -3.757 1.00 10.00 H new ATOM 0 HA TRP A 4 -16.413 4.620 -4.581 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -17.883 7.034 -4.099 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -16.938 6.788 -2.644 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -15.782 5.773 -6.187 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -13.632 7.072 -6.794 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -15.531 8.850 -2.119 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -12.044 9.186 -5.643 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -13.695 10.501 -1.903 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -11.951 10.670 -3.657 1.00 10.00 H new ATOM 56 N LEU A 5 -15.848 4.660 -1.826 1.00 10.00 N ATOM 57 CA LEU A 5 -15.516 4.004 -0.514 1.00 10.00 C ATOM 58 C LEU A 5 -15.016 2.567 -0.733 1.00 10.00 C ATOM 59 O LEU A 5 -13.881 2.256 -0.433 1.00 10.00 O ATOM 60 CB LEU A 5 -16.811 4.018 0.311 1.00 10.00 C ATOM 61 CG LEU A 5 -16.480 4.270 1.786 1.00 10.00 C ATOM 62 CD1 LEU A 5 -17.750 4.675 2.535 1.00 10.00 C ATOM 63 CD2 LEU A 5 -15.908 2.992 2.409 1.00 10.00 C ATOM 0 H LEU A 5 -15.208 5.406 -2.099 1.00 10.00 H new ATOM 0 HA LEU A 5 -14.716 4.534 0.003 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -17.481 4.794 -0.059 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -17.333 3.067 0.203 1.00 10.00 H new ATOM 0 HG LEU A 5 -15.745 5.071 1.858 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -17.513 4.854 3.584 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -18.157 5.585 2.095 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -18.487 3.875 2.461 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -15.673 3.172 3.458 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -16.643 2.190 2.334 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -15.001 2.703 1.878 1.00 10.00 H new ATOM 75 N ARG A 6 -15.846 1.692 -1.255 1.00 10.00 N ATOM 76 CA ARG A 6 -15.405 0.278 -1.490 1.00 10.00 C ATOM 77 C ARG A 6 -14.179 0.248 -2.412 1.00 10.00 C ATOM 78 O ARG A 6 -13.234 -0.480 -2.172 1.00 10.00 O ATOM 79 CB ARG A 6 -16.597 -0.417 -2.158 1.00 10.00 C ATOM 80 CG ARG A 6 -16.501 -1.928 -1.928 1.00 10.00 C ATOM 81 CD ARG A 6 -17.329 -2.666 -2.984 1.00 10.00 C ATOM 82 NE ARG A 6 -18.631 -2.964 -2.320 1.00 10.00 N ATOM 83 CZ ARG A 6 -19.147 -4.161 -2.397 1.00 10.00 C ATOM 84 NH1 ARG A 6 -18.797 -5.078 -1.534 1.00 10.00 N ATOM 85 NH2 ARG A 6 -20.010 -4.440 -3.339 1.00 10.00 N ATOM 0 H ARG A 6 -16.808 1.896 -1.528 1.00 10.00 H new ATOM 0 HA ARG A 6 -15.118 -0.217 -0.563 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -17.532 -0.034 -1.748 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -16.606 -0.201 -3.226 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -15.460 -2.248 -1.980 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -16.862 -2.177 -0.930 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -17.472 -2.052 -3.873 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -16.832 -3.581 -3.305 1.00 10.00 H new ATOM 0 HE ARG A 6 -19.119 -2.231 -1.805 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -18.122 -4.858 -0.802 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -19.199 -6.014 -1.593 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -20.279 -3.723 -4.013 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -20.414 -5.375 -3.400 1.00 10.00 H new ATOM 99 N ASP A 7 -14.185 1.043 -3.458 1.00 10.00 N ATOM 100 CA ASP A 7 -13.016 1.073 -4.392 1.00 10.00 C ATOM 101 C ASP A 7 -11.759 1.541 -3.645 1.00 10.00 C ATOM 102 O ASP A 7 -10.687 0.991 -3.814 1.00 10.00 O ATOM 103 CB ASP A 7 -13.397 2.075 -5.487 1.00 10.00 C ATOM 104 CG ASP A 7 -12.266 2.172 -6.514 1.00 10.00 C ATOM 105 OD1 ASP A 7 -12.157 1.273 -7.335 1.00 10.00 O ATOM 106 OD2 ASP A 7 -11.528 3.142 -6.464 1.00 10.00 O ATOM 0 H ASP A 7 -14.950 1.672 -3.704 1.00 10.00 H new ATOM 0 HA ASP A 7 -12.795 0.090 -4.807 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -14.319 1.761 -5.976 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -13.587 3.054 -5.047 1.00 10.00 H new ATOM 111 N ILE A 8 -11.889 2.548 -2.817 1.00 10.00 N ATOM 112 CA ILE A 8 -10.707 3.049 -2.049 1.00 10.00 C ATOM 113 C ILE A 8 -10.359 2.068 -0.919 1.00 10.00 C ATOM 114 O ILE A 8 -9.204 1.891 -0.583 1.00 10.00 O ATOM 115 CB ILE A 8 -11.135 4.411 -1.483 1.00 10.00 C ATOM 116 CG1 ILE A 8 -11.218 5.434 -2.624 1.00 10.00 C ATOM 117 CG2 ILE A 8 -10.111 4.893 -0.451 1.00 10.00 C ATOM 118 CD1 ILE A 8 -12.675 5.835 -2.849 1.00 10.00 C ATOM 0 H ILE A 8 -12.762 3.045 -2.640 1.00 10.00 H new ATOM 0 HA ILE A 8 -9.818 3.140 -2.673 1.00 10.00 H new ATOM 0 HB ILE A 8 -12.109 4.308 -1.005 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -10.622 6.314 -2.381 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -10.802 5.009 -3.538 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -10.422 5.860 -0.054 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -10.047 4.170 0.363 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -9.135 4.992 -0.926 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -12.731 6.561 -3.660 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -13.259 4.953 -3.111 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -13.076 6.277 -1.937 1.00 10.00 H new ATOM 130 N TRP A 9 -11.349 1.426 -0.336 1.00 10.00 N ATOM 131 CA TRP A 9 -11.076 0.451 0.770 1.00 10.00 C ATOM 132 C TRP A 9 -10.052 -0.595 0.314 1.00 10.00 C ATOM 133 O TRP A 9 -9.045 -0.809 0.964 1.00 10.00 O ATOM 134 CB TRP A 9 -12.427 -0.208 1.071 1.00 10.00 C ATOM 135 CG TRP A 9 -12.406 -0.786 2.451 1.00 10.00 C ATOM 136 CD1 TRP A 9 -12.707 -2.067 2.760 1.00 10.00 C ATOM 137 CD2 TRP A 9 -12.071 -0.129 3.710 1.00 10.00 C ATOM 138 NE1 TRP A 9 -12.579 -2.239 4.127 1.00 10.00 N ATOM 139 CE2 TRP A 9 -12.190 -1.073 4.756 1.00 10.00 C ATOM 140 CE3 TRP A 9 -11.682 1.182 4.041 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -11.929 -0.732 6.083 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -11.420 1.530 5.376 1.00 10.00 C ATOM 143 CH2 TRP A 9 -11.544 0.574 6.394 1.00 10.00 C ATOM 0 H TRP A 9 -12.333 1.536 -0.580 1.00 10.00 H new ATOM 0 HA TRP A 9 -10.660 0.937 1.652 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -13.228 0.526 0.985 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.632 -0.991 0.341 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -13.000 -2.831 2.055 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -12.751 -3.120 4.611 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -11.584 1.925 3.264 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -12.024 -1.472 6.864 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -11.122 2.539 5.620 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -11.342 0.848 7.419 1.00 10.00 H new ATOM 154 N ASP A 10 -10.293 -1.233 -0.806 1.00 10.00 N ATOM 155 CA ASP A 10 -9.322 -2.251 -1.318 1.00 10.00 C ATOM 156 C ASP A 10 -7.981 -1.569 -1.620 1.00 10.00 C ATOM 157 O ASP A 10 -6.927 -2.097 -1.322 1.00 10.00 O ATOM 158 CB ASP A 10 -9.955 -2.806 -2.600 1.00 10.00 C ATOM 159 CG ASP A 10 -8.939 -3.675 -3.348 1.00 10.00 C ATOM 160 OD1 ASP A 10 -8.461 -4.637 -2.765 1.00 10.00 O ATOM 161 OD2 ASP A 10 -8.658 -3.365 -4.494 1.00 10.00 O ATOM 0 H ASP A 10 -11.119 -1.093 -1.387 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.127 -3.046 -0.598 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -10.839 -3.394 -2.354 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -10.285 -1.986 -3.238 1.00 10.00 H new ATOM 166 N TRP A 11 -8.023 -0.390 -2.197 1.00 10.00 N ATOM 167 CA TRP A 11 -6.759 0.348 -2.508 1.00 10.00 C ATOM 168 C TRP A 11 -5.966 0.592 -1.215 1.00 10.00 C ATOM 169 O TRP A 11 -4.757 0.454 -1.188 1.00 10.00 O ATOM 170 CB TRP A 11 -7.222 1.673 -3.127 1.00 10.00 C ATOM 171 CG TRP A 11 -6.040 2.517 -3.487 1.00 10.00 C ATOM 172 CD1 TRP A 11 -5.389 2.480 -4.672 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.361 3.522 -2.678 1.00 10.00 C ATOM 174 NE1 TRP A 11 -4.355 3.398 -4.643 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.296 4.064 -3.434 1.00 10.00 C ATOM 176 CE3 TRP A 11 -5.564 4.009 -1.374 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -3.464 5.058 -2.916 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -4.728 5.007 -0.849 1.00 10.00 C ATOM 179 CH2 TRP A 11 -3.679 5.530 -1.619 1.00 10.00 C ATOM 0 H TRP A 11 -8.881 0.092 -2.466 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.102 -0.203 -3.181 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -7.822 1.477 -4.016 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -7.859 2.208 -2.423 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -5.636 1.838 -5.505 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -3.714 3.563 -5.419 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -6.369 3.612 -0.773 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -2.659 5.459 -3.514 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -4.894 5.374 0.153 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -3.038 6.297 -1.210 1.00 10.00 H new ATOM 190 N ILE A 12 -6.643 0.934 -0.142 1.00 10.00 N ATOM 191 CA ILE A 12 -5.932 1.166 1.156 1.00 10.00 C ATOM 192 C ILE A 12 -5.225 -0.128 1.590 1.00 10.00 C ATOM 193 O ILE A 12 -4.127 -0.100 2.113 1.00 10.00 O ATOM 194 CB ILE A 12 -7.031 1.552 2.159 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.560 2.953 1.826 1.00 10.00 C ATOM 196 CG2 ILE A 12 -6.462 1.556 3.583 1.00 10.00 C ATOM 197 CD1 ILE A 12 -8.991 3.097 2.347 1.00 10.00 C ATOM 0 H ILE A 12 -7.654 1.062 -0.110 1.00 10.00 H new ATOM 0 HA ILE A 12 -5.171 1.943 1.085 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.841 0.826 2.094 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.920 3.711 2.277 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.536 3.115 0.748 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.247 1.830 4.288 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -6.086 0.562 3.827 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.648 2.278 3.647 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -9.366 4.093 2.110 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.627 2.348 1.875 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -9.001 2.953 3.427 1.00 10.00 H new ATOM 209 N CYS A 13 -5.848 -1.260 1.357 1.00 10.00 N ATOM 210 CA CYS A 13 -5.216 -2.561 1.735 1.00 10.00 C ATOM 211 C CYS A 13 -3.975 -2.813 0.867 1.00 10.00 C ATOM 212 O CYS A 13 -2.966 -3.299 1.345 1.00 10.00 O ATOM 213 CB CYS A 13 -6.289 -3.620 1.461 1.00 10.00 C ATOM 214 SG CYS A 13 -5.781 -5.197 2.189 1.00 10.00 S ATOM 0 H CYS A 13 -6.767 -1.337 0.921 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.888 -2.577 2.774 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -7.243 -3.304 1.882 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.437 -3.734 0.387 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.692 -6.095 1.958 1.00 10.00 H new ATOM 220 N GLU A 14 -4.041 -2.476 -0.401 1.00 10.00 N ATOM 221 CA GLU A 14 -2.867 -2.684 -1.302 1.00 10.00 C ATOM 222 C GLU A 14 -1.712 -1.762 -0.890 1.00 10.00 C ATOM 223 O GLU A 14 -0.560 -2.150 -0.906 1.00 10.00 O ATOM 224 CB GLU A 14 -3.372 -2.328 -2.705 1.00 10.00 C ATOM 225 CG GLU A 14 -3.474 -3.599 -3.553 1.00 10.00 C ATOM 226 CD GLU A 14 -4.866 -4.218 -3.390 1.00 10.00 C ATOM 227 OE1 GLU A 14 -5.131 -4.762 -2.330 1.00 10.00 O ATOM 228 OE2 GLU A 14 -5.640 -4.141 -4.331 1.00 10.00 O ATOM 0 H GLU A 14 -4.860 -2.065 -0.849 1.00 10.00 H new ATOM 0 HA GLU A 14 -2.487 -3.705 -1.256 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -4.346 -1.843 -2.640 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -2.694 -1.617 -3.177 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -3.290 -3.364 -4.601 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -2.710 -4.314 -3.248 1.00 10.00 H new ATOM 235 N VAL A 15 -2.023 -0.550 -0.512 1.00 10.00 N ATOM 236 CA VAL A 15 -0.958 0.413 -0.081 1.00 10.00 C ATOM 237 C VAL A 15 -0.303 -0.081 1.218 1.00 10.00 C ATOM 238 O VAL A 15 0.878 0.110 1.435 1.00 10.00 O ATOM 239 CB VAL A 15 -1.687 1.748 0.142 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.724 2.781 0.738 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.217 2.272 -1.196 1.00 10.00 C ATOM 0 H VAL A 15 -2.973 -0.181 -0.482 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.162 0.513 -0.819 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.515 1.586 0.832 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -1.251 3.723 0.892 1.00 10.00 H new ATOM 0 HG12 VAL A 15 -0.345 2.417 1.693 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.109 2.939 0.053 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.734 3.218 -1.037 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.384 2.424 -1.883 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -2.911 1.547 -1.622 1.00 10.00 H new ATOM 251 N LEU A 16 -1.062 -0.718 2.077 1.00 10.00 N ATOM 252 CA LEU A 16 -0.488 -1.230 3.360 1.00 10.00 C ATOM 253 C LEU A 16 0.502 -2.371 3.081 1.00 10.00 C ATOM 254 O LEU A 16 1.566 -2.434 3.667 1.00 10.00 O ATOM 255 CB LEU A 16 -1.691 -1.744 4.156 1.00 10.00 C ATOM 256 CG LEU A 16 -1.284 -1.975 5.613 1.00 10.00 C ATOM 257 CD1 LEU A 16 -1.429 -0.670 6.399 1.00 10.00 C ATOM 258 CD2 LEU A 16 -2.189 -3.044 6.230 1.00 10.00 C ATOM 0 H LEU A 16 -2.056 -0.905 1.944 1.00 10.00 H new ATOM 0 HA LEU A 16 0.061 -0.460 3.903 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.507 -1.023 4.106 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -2.059 -2.673 3.719 1.00 10.00 H new ATOM 0 HG LEU A 16 -0.247 -2.308 5.652 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.139 -0.836 7.436 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -0.786 0.093 5.960 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.466 -0.336 6.361 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -1.901 -3.210 7.268 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -3.226 -2.710 6.190 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -2.086 -3.974 5.672 1.00 10.00 H new ATOM 270 N SER A 17 0.157 -3.268 2.189 1.00 10.00 N ATOM 271 CA SER A 17 1.077 -4.403 1.868 1.00 10.00 C ATOM 272 C SER A 17 2.244 -3.914 1.003 1.00 10.00 C ATOM 273 O SER A 17 3.379 -4.304 1.208 1.00 10.00 O ATOM 274 CB SER A 17 0.220 -5.412 1.102 1.00 10.00 C ATOM 275 OG SER A 17 -0.542 -6.177 2.028 1.00 10.00 O ATOM 0 H SER A 17 -0.721 -3.263 1.670 1.00 10.00 H new ATOM 0 HA SER A 17 1.513 -4.844 2.764 1.00 10.00 H new ATOM 0 HB2 SER A 17 -0.442 -4.893 0.409 1.00 10.00 H new ATOM 0 HB3 SER A 17 0.855 -6.068 0.506 1.00 10.00 H new ATOM 0 HG SER A 17 -1.094 -6.824 1.541 1.00 10.00 H new ATOM 281 N ASP A 18 1.978 -3.057 0.045 1.00 10.00 N ATOM 282 CA ASP A 18 3.082 -2.542 -0.822 1.00 10.00 C ATOM 283 C ASP A 18 3.980 -1.580 -0.035 1.00 10.00 C ATOM 284 O ASP A 18 5.131 -1.408 -0.364 1.00 10.00 O ATOM 285 CB ASP A 18 2.401 -1.809 -1.983 1.00 10.00 C ATOM 286 CG ASP A 18 3.465 -1.287 -2.960 1.00 10.00 C ATOM 287 OD1 ASP A 18 4.281 -2.082 -3.405 1.00 10.00 O ATOM 288 OD2 ASP A 18 3.446 -0.100 -3.245 1.00 10.00 O ATOM 0 H ASP A 18 1.049 -2.695 -0.172 1.00 10.00 H new ATOM 0 HA ASP A 18 3.718 -3.352 -1.179 1.00 10.00 H new ATOM 0 HB2 ASP A 18 1.718 -2.482 -2.500 1.00 10.00 H new ATOM 0 HB3 ASP A 18 1.805 -0.980 -1.603 1.00 10.00 H new ATOM 293 N PHE A 19 3.468 -0.959 1.006 1.00 10.00 N ATOM 294 CA PHE A 19 4.311 -0.015 1.813 1.00 10.00 C ATOM 295 C PHE A 19 5.639 -0.684 2.193 1.00 10.00 C ATOM 296 O PHE A 19 6.687 -0.065 2.162 1.00 10.00 O ATOM 297 CB PHE A 19 3.491 0.287 3.071 1.00 10.00 C ATOM 298 CG PHE A 19 3.341 1.782 3.235 1.00 10.00 C ATOM 299 CD1 PHE A 19 4.477 2.597 3.314 1.00 10.00 C ATOM 300 CD2 PHE A 19 2.065 2.353 3.309 1.00 10.00 C ATOM 301 CE1 PHE A 19 4.337 3.981 3.467 1.00 10.00 C ATOM 302 CE2 PHE A 19 1.925 3.737 3.462 1.00 10.00 C ATOM 303 CZ PHE A 19 3.061 4.551 3.540 1.00 10.00 C ATOM 0 H PHE A 19 2.507 -1.065 1.330 1.00 10.00 H new ATOM 0 HA PHE A 19 4.553 0.891 1.258 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.509 -0.181 2.998 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.982 -0.137 3.947 1.00 10.00 H new ATOM 0 HD1 PHE A 19 5.462 2.157 3.257 1.00 10.00 H new ATOM 0 HD2 PHE A 19 1.188 1.725 3.248 1.00 10.00 H new ATOM 0 HE1 PHE A 19 5.213 4.609 3.529 1.00 10.00 H new ATOM 0 HE2 PHE A 19 0.940 4.177 3.520 1.00 10.00 H new ATOM 0 HZ PHE A 19 2.953 5.619 3.657 1.00 10.00 H new ATOM 313 N LYS A 20 5.597 -1.947 2.543 1.00 10.00 N ATOM 314 CA LYS A 20 6.850 -2.671 2.917 1.00 10.00 C ATOM 315 C LYS A 20 7.762 -2.823 1.689 1.00 10.00 C ATOM 316 O LYS A 20 8.944 -2.538 1.749 1.00 10.00 O ATOM 317 CB LYS A 20 6.386 -4.043 3.423 1.00 10.00 C ATOM 318 CG LYS A 20 7.603 -4.889 3.813 1.00 10.00 C ATOM 319 CD LYS A 20 7.371 -5.523 5.188 1.00 10.00 C ATOM 320 CE LYS A 20 8.702 -6.038 5.745 1.00 10.00 C ATOM 321 NZ LYS A 20 8.377 -6.600 7.088 1.00 10.00 N ATOM 0 H LYS A 20 4.746 -2.508 2.585 1.00 10.00 H new ATOM 0 HA LYS A 20 7.425 -2.136 3.673 1.00 10.00 H new ATOM 0 HB2 LYS A 20 5.726 -3.920 4.282 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.811 -4.551 2.649 1.00 10.00 H new ATOM 0 HG2 LYS A 20 7.772 -5.666 3.067 1.00 10.00 H new ATOM 0 HG3 LYS A 20 8.498 -4.268 3.835 1.00 10.00 H new ATOM 0 HD2 LYS A 20 6.939 -4.791 5.870 1.00 10.00 H new ATOM 0 HD3 LYS A 20 6.657 -6.343 5.106 1.00 10.00 H new ATOM 0 HE2 LYS A 20 9.132 -6.799 5.094 1.00 10.00 H new ATOM 0 HE3 LYS A 20 9.434 -5.234 5.822 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 9.243 -6.971 7.528 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 7.976 -5.852 7.690 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 7.685 -7.369 6.984 1.00 10.00 H new ATOM 335 N THR A 21 7.222 -3.262 0.577 1.00 10.00 N ATOM 336 CA THR A 21 8.060 -3.426 -0.655 1.00 10.00 C ATOM 337 C THR A 21 8.410 -2.058 -1.249 1.00 10.00 C ATOM 338 O THR A 21 9.498 -1.861 -1.750 1.00 10.00 O ATOM 339 CB THR A 21 7.205 -4.241 -1.637 1.00 10.00 C ATOM 340 OG1 THR A 21 5.860 -3.782 -1.600 1.00 10.00 O ATOM 341 CG2 THR A 21 7.250 -5.720 -1.249 1.00 10.00 C ATOM 0 H THR A 21 6.239 -3.514 0.469 1.00 10.00 H new ATOM 0 HA THR A 21 9.003 -3.927 -0.437 1.00 10.00 H new ATOM 0 HB THR A 21 7.600 -4.117 -2.645 1.00 10.00 H new ATOM 0 HG1 THR A 21 5.679 -3.236 -2.394 1.00 10.00 H new ATOM 0 HG21 THR A 21 6.643 -6.298 -1.946 1.00 10.00 H new ATOM 0 HG22 THR A 21 8.280 -6.074 -1.285 1.00 10.00 H new ATOM 0 HG23 THR A 21 6.859 -5.843 -0.239 1.00 10.00 H new ATOM 349 N TRP A 22 7.503 -1.115 -1.187 1.00 10.00 N ATOM 350 CA TRP A 22 7.783 0.247 -1.736 1.00 10.00 C ATOM 351 C TRP A 22 9.046 0.812 -1.087 1.00 10.00 C ATOM 352 O TRP A 22 9.960 1.242 -1.759 1.00 10.00 O ATOM 353 CB TRP A 22 6.569 1.094 -1.352 1.00 10.00 C ATOM 354 CG TRP A 22 6.634 2.413 -2.054 1.00 10.00 C ATOM 355 CD1 TRP A 22 6.069 2.687 -3.252 1.00 10.00 C ATOM 356 CD2 TRP A 22 7.293 3.639 -1.622 1.00 10.00 C ATOM 357 NE1 TRP A 22 6.340 4.004 -3.583 1.00 10.00 N ATOM 358 CE2 TRP A 22 7.091 4.631 -2.608 1.00 10.00 C ATOM 359 CE3 TRP A 22 8.038 3.981 -0.479 1.00 10.00 C ATOM 360 CZ2 TRP A 22 7.610 5.919 -2.468 1.00 10.00 C ATOM 361 CZ3 TRP A 22 8.562 5.275 -0.333 1.00 10.00 C ATOM 362 CH2 TRP A 22 8.349 6.241 -1.325 1.00 10.00 C ATOM 0 H TRP A 22 6.576 -1.231 -0.778 1.00 10.00 H new ATOM 0 HA TRP A 22 7.943 0.234 -2.814 1.00 10.00 H new ATOM 0 HB2 TRP A 22 5.650 0.573 -1.620 1.00 10.00 H new ATOM 0 HB3 TRP A 22 6.546 1.246 -0.273 1.00 10.00 H new ATOM 0 HD1 TRP A 22 5.500 1.992 -3.852 1.00 10.00 H new ATOM 0 HE1 TRP A 22 6.024 4.456 -4.441 1.00 10.00 H new ATOM 0 HE3 TRP A 22 8.208 3.243 0.291 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 7.442 6.660 -3.235 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 9.132 5.527 0.549 1.00 10.00 H new ATOM 0 HH2 TRP A 22 8.756 7.235 -1.207 1.00 10.00 H new ATOM 373 N LEU A 23 9.096 0.803 0.222 1.00 10.00 N ATOM 374 CA LEU A 23 10.300 1.331 0.940 1.00 10.00 C ATOM 375 C LEU A 23 11.551 0.533 0.548 1.00 10.00 C ATOM 376 O LEU A 23 12.613 1.094 0.354 1.00 10.00 O ATOM 377 CB LEU A 23 9.995 1.155 2.433 1.00 10.00 C ATOM 378 CG LEU A 23 9.564 2.499 3.029 1.00 10.00 C ATOM 379 CD1 LEU A 23 8.046 2.647 2.917 1.00 10.00 C ATOM 380 CD2 LEU A 23 9.972 2.557 4.503 1.00 10.00 C ATOM 0 H LEU A 23 8.353 0.452 0.827 1.00 10.00 H new ATOM 0 HA LEU A 23 10.498 2.373 0.688 1.00 10.00 H new ATOM 0 HB2 LEU A 23 9.206 0.415 2.569 1.00 10.00 H new ATOM 0 HB3 LEU A 23 10.876 0.780 2.953 1.00 10.00 H new ATOM 0 HG LEU A 23 10.049 3.308 2.483 1.00 10.00 H new ATOM 0 HD11 LEU A 23 7.741 3.604 3.342 1.00 10.00 H new ATOM 0 HD12 LEU A 23 7.753 2.606 1.868 1.00 10.00 H new ATOM 0 HD13 LEU A 23 7.560 1.837 3.462 1.00 10.00 H new ATOM 0 HD21 LEU A 23 9.666 3.513 4.928 1.00 10.00 H new ATOM 0 HD22 LEU A 23 9.487 1.746 5.047 1.00 10.00 H new ATOM 0 HD23 LEU A 23 11.054 2.453 4.585 1.00 10.00 H new ATOM 392 N LYS A 24 11.434 -0.770 0.419 1.00 10.00 N ATOM 393 CA LYS A 24 12.621 -1.594 0.028 1.00 10.00 C ATOM 394 C LYS A 24 13.003 -1.305 -1.431 1.00 10.00 C ATOM 395 O LYS A 24 14.169 -1.215 -1.770 1.00 10.00 O ATOM 396 CB LYS A 24 12.176 -3.052 0.190 1.00 10.00 C ATOM 397 CG LYS A 24 13.372 -3.911 0.616 1.00 10.00 C ATOM 398 CD LYS A 24 13.063 -4.598 1.949 1.00 10.00 C ATOM 399 CE LYS A 24 14.305 -5.351 2.438 1.00 10.00 C ATOM 400 NZ LYS A 24 13.866 -6.077 3.666 1.00 10.00 N ATOM 0 H LYS A 24 10.572 -1.294 0.567 1.00 10.00 H new ATOM 0 HA LYS A 24 13.496 -1.371 0.639 1.00 10.00 H new ATOM 0 HB2 LYS A 24 11.383 -3.120 0.935 1.00 10.00 H new ATOM 0 HB3 LYS A 24 11.765 -3.424 -0.749 1.00 10.00 H new ATOM 0 HG2 LYS A 24 13.587 -4.658 -0.148 1.00 10.00 H new ATOM 0 HG3 LYS A 24 14.262 -3.290 0.713 1.00 10.00 H new ATOM 0 HD2 LYS A 24 12.759 -3.858 2.689 1.00 10.00 H new ATOM 0 HD3 LYS A 24 12.229 -5.290 1.829 1.00 10.00 H new ATOM 0 HE2 LYS A 24 14.669 -6.044 1.680 1.00 10.00 H new ATOM 0 HE3 LYS A 24 15.121 -4.663 2.658 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 14.666 -6.615 4.056 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 13.532 -5.392 4.374 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 13.094 -6.731 3.425 1.00 10.00 H new ATOM 414 N ALA A 25 12.025 -1.154 -2.291 1.00 10.00 N ATOM 415 CA ALA A 25 12.317 -0.863 -3.729 1.00 10.00 C ATOM 416 C ALA A 25 12.817 0.580 -3.892 1.00 10.00 C ATOM 417 O ALA A 25 13.680 0.854 -4.703 1.00 10.00 O ATOM 418 CB ALA A 25 10.981 -1.053 -4.454 1.00 10.00 C ATOM 0 H ALA A 25 11.034 -1.220 -2.058 1.00 10.00 H new ATOM 0 HA ALA A 25 13.094 -1.514 -4.129 1.00 10.00 H new ATOM 0 HB1 ALA A 25 11.113 -0.857 -5.518 1.00 10.00 H new ATOM 0 HB2 ALA A 25 10.634 -2.077 -4.314 1.00 10.00 H new ATOM 0 HB3 ALA A 25 10.244 -0.361 -4.046 1.00 10.00 H new ATOM 424 N LYS A 26 12.277 1.502 -3.128 1.00 10.00 N ATOM 425 CA LYS A 26 12.716 2.929 -3.237 1.00 10.00 C ATOM 426 C LYS A 26 14.138 3.104 -2.683 1.00 10.00 C ATOM 427 O LYS A 26 14.911 3.893 -3.193 1.00 10.00 O ATOM 428 CB LYS A 26 11.712 3.728 -2.399 1.00 10.00 C ATOM 429 CG LYS A 26 11.585 5.145 -2.964 1.00 10.00 C ATOM 430 CD LYS A 26 11.908 6.167 -1.870 1.00 10.00 C ATOM 431 CE LYS A 26 11.331 7.534 -2.258 1.00 10.00 C ATOM 432 NZ LYS A 26 12.361 8.160 -3.138 1.00 10.00 N ATOM 0 H LYS A 26 11.551 1.326 -2.434 1.00 10.00 H new ATOM 0 HA LYS A 26 12.740 3.265 -4.274 1.00 10.00 H new ATOM 0 HB2 LYS A 26 10.741 3.234 -2.408 1.00 10.00 H new ATOM 0 HB3 LYS A 26 12.040 3.768 -1.360 1.00 10.00 H new ATOM 0 HG2 LYS A 26 12.264 5.273 -3.807 1.00 10.00 H new ATOM 0 HG3 LYS A 26 10.575 5.308 -3.341 1.00 10.00 H new ATOM 0 HD2 LYS A 26 11.489 5.841 -0.918 1.00 10.00 H new ATOM 0 HD3 LYS A 26 12.987 6.241 -1.735 1.00 10.00 H new ATOM 0 HE2 LYS A 26 10.380 7.426 -2.780 1.00 10.00 H new ATOM 0 HE3 LYS A 26 11.142 8.146 -1.376 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 12.034 9.099 -3.442 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 13.253 8.258 -2.613 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 12.515 7.560 -3.973 1.00 10.00 H new ATOM 446 N LEU A 27 14.491 2.377 -1.648 1.00 10.00 N ATOM 447 CA LEU A 27 15.867 2.506 -1.072 1.00 10.00 C ATOM 448 C LEU A 27 16.915 2.005 -2.077 1.00 10.00 C ATOM 449 O LEU A 27 18.000 2.547 -2.172 1.00 10.00 O ATOM 450 CB LEU A 27 15.867 1.632 0.186 1.00 10.00 C ATOM 451 CG LEU A 27 17.002 2.069 1.117 1.00 10.00 C ATOM 452 CD1 LEU A 27 16.551 3.270 1.951 1.00 10.00 C ATOM 453 CD2 LEU A 27 17.370 0.913 2.050 1.00 10.00 C ATOM 0 H LEU A 27 13.887 1.702 -1.179 1.00 10.00 H new ATOM 0 HA LEU A 27 16.117 3.542 -0.843 1.00 10.00 H new ATOM 0 HB2 LEU A 27 14.909 1.717 0.700 1.00 10.00 H new ATOM 0 HB3 LEU A 27 15.991 0.584 -0.087 1.00 10.00 H new ATOM 0 HG LEU A 27 17.870 2.348 0.520 1.00 10.00 H new ATOM 0 HD11 LEU A 27 17.361 3.578 2.612 1.00 10.00 H new ATOM 0 HD12 LEU A 27 16.289 4.095 1.289 1.00 10.00 H new ATOM 0 HD13 LEU A 27 15.681 2.993 2.547 1.00 10.00 H new ATOM 0 HD21 LEU A 27 18.178 1.223 2.713 1.00 10.00 H new ATOM 0 HD22 LEU A 27 16.500 0.634 2.644 1.00 10.00 H new ATOM 0 HD23 LEU A 27 17.695 0.057 1.458 1.00 10.00 H new ATOM 465 N MET A 28 16.594 0.978 -2.826 1.00 10.00 N ATOM 466 CA MET A 28 17.565 0.446 -3.829 1.00 10.00 C ATOM 467 C MET A 28 17.512 1.285 -5.113 1.00 10.00 C ATOM 468 O MET A 28 16.501 1.893 -5.413 1.00 10.00 O ATOM 469 CB MET A 28 17.113 -0.992 -4.107 1.00 10.00 C ATOM 470 CG MET A 28 18.113 -1.974 -3.491 1.00 10.00 C ATOM 471 SD MET A 28 17.530 -2.487 -1.856 1.00 10.00 S ATOM 472 CE MET A 28 16.293 -3.685 -2.415 1.00 10.00 C ATOM 0 H MET A 28 15.701 0.486 -2.785 1.00 10.00 H new ATOM 0 HA MET A 28 18.592 0.483 -3.466 1.00 10.00 H new ATOM 0 HB2 MET A 28 16.120 -1.159 -3.689 1.00 10.00 H new ATOM 0 HB3 MET A 28 17.039 -1.159 -5.182 1.00 10.00 H new ATOM 0 HG2 MET A 28 18.228 -2.844 -4.137 1.00 10.00 H new ATOM 0 HG3 MET A 28 19.094 -1.506 -3.408 1.00 10.00 H new ATOM 0 HE1 MET A 28 15.349 -3.500 -1.902 1.00 10.00 H new ATOM 0 HE2 MET A 28 16.147 -3.583 -3.490 1.00 10.00 H new ATOM 0 HE3 MET A 28 16.637 -4.695 -2.190 1.00 10.00 H new ATOM 482 N PRO A 29 18.609 1.290 -5.833 1.00 10.00 N ATOM 483 CA PRO A 29 18.687 2.060 -7.103 1.00 10.00 C ATOM 484 C PRO A 29 17.898 1.360 -8.219 1.00 10.00 C ATOM 485 O PRO A 29 17.206 0.385 -7.988 1.00 10.00 O ATOM 486 CB PRO A 29 20.180 2.076 -7.420 1.00 10.00 C ATOM 487 CG PRO A 29 20.743 0.874 -6.729 1.00 10.00 C ATOM 488 CD PRO A 29 19.866 0.589 -5.537 1.00 10.00 C ATOM 0 HA PRO A 29 18.260 3.059 -7.019 1.00 10.00 H new ATOM 0 HB2 PRO A 29 20.354 2.029 -8.495 1.00 10.00 H new ATOM 0 HB3 PRO A 29 20.649 2.992 -7.060 1.00 10.00 H new ATOM 0 HG2 PRO A 29 20.764 0.018 -7.404 1.00 10.00 H new ATOM 0 HG3 PRO A 29 21.770 1.058 -6.415 1.00 10.00 H new ATOM 0 HD2 PRO A 29 19.704 -0.481 -5.410 1.00 10.00 H new ATOM 0 HD3 PRO A 29 20.317 0.955 -4.615 1.00 10.00 H new ATOM 496 N GLN A 30 18.003 1.854 -9.428 1.00 10.00 N ATOM 497 CA GLN A 30 17.265 1.225 -10.569 1.00 10.00 C ATOM 498 C GLN A 30 17.882 -0.136 -10.920 1.00 10.00 C ATOM 499 O GLN A 30 19.054 -0.376 -10.691 1.00 10.00 O ATOM 500 CB GLN A 30 17.422 2.204 -11.737 1.00 10.00 C ATOM 501 CG GLN A 30 16.226 2.072 -12.687 1.00 10.00 C ATOM 502 CD GLN A 30 15.545 3.434 -12.854 1.00 10.00 C ATOM 503 OE1 GLN A 30 16.167 4.391 -13.269 1.00 10.00 O ATOM 504 NE2 GLN A 30 14.283 3.565 -12.543 1.00 10.00 N ATOM 0 H GLN A 30 18.568 2.666 -9.675 1.00 10.00 H new ATOM 0 HA GLN A 30 16.217 1.044 -10.328 1.00 10.00 H new ATOM 0 HB2 GLN A 30 17.489 3.225 -11.362 1.00 10.00 H new ATOM 0 HB3 GLN A 30 18.349 2.000 -12.273 1.00 10.00 H new ATOM 0 HG2 GLN A 30 16.559 1.700 -13.656 1.00 10.00 H new ATOM 0 HG3 GLN A 30 15.515 1.345 -12.293 1.00 10.00 H new ATOM 0 HE21 GLN A 30 13.758 2.763 -12.194 1.00 10.00 H new ATOM 0 HE22 GLN A 30 13.823 4.469 -12.649 1.00 10.00 H new ATOM 513 N LEU A 31 17.098 -1.027 -11.476 1.00 10.00 N ATOM 514 CA LEU A 31 17.628 -2.376 -11.845 1.00 10.00 C ATOM 515 C LEU A 31 17.166 -2.766 -13.255 1.00 10.00 C ATOM 516 O LEU A 31 15.998 -2.575 -13.555 1.00 10.00 O ATOM 517 CB LEU A 31 17.042 -3.333 -10.801 1.00 10.00 C ATOM 518 CG LEU A 31 18.179 -4.017 -10.037 1.00 10.00 C ATOM 519 CD1 LEU A 31 17.674 -4.467 -8.663 1.00 10.00 C ATOM 520 CD2 LEU A 31 18.663 -5.238 -10.825 1.00 10.00 C ATOM 521 OXT LEU A 31 17.992 -3.250 -14.012 1.00 10.00 O ATOM 0 H LEU A 31 16.112 -0.878 -11.690 1.00 10.00 H new ATOM 0 HA LEU A 31 18.718 -2.401 -11.854 1.00 10.00 H new ATOM 0 HB2 LEU A 31 16.403 -2.785 -10.109 1.00 10.00 H new ATOM 0 HB3 LEU A 31 16.416 -4.081 -11.289 1.00 10.00 H new ATOM 0 HG LEU A 31 19.003 -3.315 -9.910 1.00 10.00 H new ATOM 0 HD11 LEU A 31 18.484 -4.954 -8.119 1.00 10.00 H new ATOM 0 HD12 LEU A 31 17.329 -3.600 -8.100 1.00 10.00 H new ATOM 0 HD13 LEU A 31 16.849 -5.168 -8.790 1.00 10.00 H new ATOM 0 HD21 LEU A 31 19.472 -5.725 -10.281 1.00 10.00 H new ATOM 0 HD22 LEU A 31 17.838 -5.939 -10.952 1.00 10.00 H new ATOM 0 HD23 LEU A 31 19.023 -4.920 -11.803 1.00 10.00 H new TER 533 LEU A 31