USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=6 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+ -158:sc= 0.303 (180deg=0.0653) USER MOD Single : A 1 SER OG : rot 180:sc= 0.123 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=-0.000408 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.17 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 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.415 K(o=-0.42,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -22.550 9.860 -3.116 1.00 10.00 N ATOM 2 CA SER A 1 -21.590 8.888 -3.726 1.00 10.00 C ATOM 3 C SER A 1 -22.142 7.459 -3.628 1.00 10.00 C ATOM 4 O SER A 1 -23.048 7.186 -2.862 1.00 10.00 O ATOM 5 CB SER A 1 -20.299 9.024 -2.911 1.00 10.00 C ATOM 6 OG SER A 1 -20.616 9.104 -1.525 1.00 10.00 O ATOM 0 H1 SER A 1 -22.373 10.810 -3.500 1.00 10.00 H new ATOM 0 H2 SER A 1 -23.524 9.573 -3.340 1.00 10.00 H new ATOM 0 H3 SER A 1 -22.422 9.874 -2.084 1.00 10.00 H new ATOM 0 HA SER A 1 -21.422 9.091 -4.784 1.00 10.00 H new ATOM 0 HB2 SER A 1 -19.648 8.170 -3.097 1.00 10.00 H new ATOM 0 HB3 SER A 1 -19.753 9.915 -3.222 1.00 10.00 H new ATOM 0 HG SER A 1 -19.790 9.189 -1.005 1.00 10.00 H new ATOM 14 N GLY A 2 -21.602 6.548 -4.400 1.00 10.00 N ATOM 15 CA GLY A 2 -22.088 5.137 -4.357 1.00 10.00 C ATOM 16 C GLY A 2 -21.179 4.310 -3.446 1.00 10.00 C ATOM 17 O GLY A 2 -21.449 4.145 -2.272 1.00 10.00 O ATOM 0 H GLY A 2 -20.844 6.723 -5.059 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -23.114 5.106 -3.990 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -22.096 4.713 -5.361 1.00 10.00 H new ATOM 21 N SER A 3 -20.099 3.791 -3.979 1.00 10.00 N ATOM 22 CA SER A 3 -19.163 2.974 -3.144 1.00 10.00 C ATOM 23 C SER A 3 -17.984 3.835 -2.674 1.00 10.00 C ATOM 24 O SER A 3 -17.174 4.280 -3.466 1.00 10.00 O ATOM 25 CB SER A 3 -18.680 1.849 -4.065 1.00 10.00 C ATOM 26 OG SER A 3 -18.767 0.608 -3.374 1.00 10.00 O ATOM 0 H SER A 3 -19.825 3.898 -4.956 1.00 10.00 H new ATOM 0 HA SER A 3 -19.645 2.582 -2.248 1.00 10.00 H new ATOM 0 HB2 SER A 3 -19.287 1.818 -4.970 1.00 10.00 H new ATOM 0 HB3 SER A 3 -17.652 2.034 -4.377 1.00 10.00 H new ATOM 0 HG SER A 3 -18.461 -0.115 -3.960 1.00 10.00 H new ATOM 32 N TRP A 4 -17.889 4.076 -1.390 1.00 10.00 N ATOM 33 CA TRP A 4 -16.771 4.914 -0.857 1.00 10.00 C ATOM 34 C TRP A 4 -15.892 4.092 0.095 1.00 10.00 C ATOM 35 O TRP A 4 -14.694 3.999 -0.083 1.00 10.00 O ATOM 36 CB TRP A 4 -17.461 6.057 -0.105 1.00 10.00 C ATOM 37 CG TRP A 4 -16.558 7.248 -0.064 1.00 10.00 C ATOM 38 CD1 TRP A 4 -16.675 8.338 -0.855 1.00 10.00 C ATOM 39 CD2 TRP A 4 -15.406 7.487 0.796 1.00 10.00 C ATOM 40 NE1 TRP A 4 -15.670 9.232 -0.535 1.00 10.00 N ATOM 41 CE2 TRP A 4 -14.862 8.753 0.477 1.00 10.00 C ATOM 42 CE3 TRP A 4 -14.788 6.737 1.811 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -13.743 9.257 1.142 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -13.662 7.240 2.483 1.00 10.00 C ATOM 45 CH2 TRP A 4 -13.141 8.498 2.149 1.00 10.00 C ATOM 0 H TRP A 4 -18.540 3.727 -0.686 1.00 10.00 H new ATOM 0 HA TRP A 4 -16.116 5.281 -1.648 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -18.399 6.316 -0.597 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -17.709 5.741 0.908 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -17.430 8.486 -1.613 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -15.541 10.135 -0.991 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -15.182 5.767 2.076 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -13.345 10.226 0.880 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -13.195 6.655 3.261 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -12.275 8.880 2.669 1.00 10.00 H new ATOM 56 N LEU A 5 -16.480 3.498 1.104 1.00 10.00 N ATOM 57 CA LEU A 5 -15.679 2.681 2.071 1.00 10.00 C ATOM 58 C LEU A 5 -15.368 1.287 1.495 1.00 10.00 C ATOM 59 O LEU A 5 -14.570 0.554 2.044 1.00 10.00 O ATOM 60 CB LEU A 5 -16.553 2.567 3.329 1.00 10.00 C ATOM 61 CG LEU A 5 -17.823 1.761 3.022 1.00 10.00 C ATOM 62 CD1 LEU A 5 -17.779 0.427 3.770 1.00 10.00 C ATOM 63 CD2 LEU A 5 -19.052 2.555 3.471 1.00 10.00 C ATOM 0 H LEU A 5 -17.480 3.543 1.301 1.00 10.00 H new ATOM 0 HA LEU A 5 -14.716 3.145 2.285 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -15.991 2.084 4.128 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -16.822 3.561 3.685 1.00 10.00 H new ATOM 0 HG LEU A 5 -17.881 1.573 1.950 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -18.682 -0.143 3.550 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -16.905 -0.140 3.451 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -17.719 0.613 4.842 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -19.954 1.983 3.253 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -18.992 2.743 4.543 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -19.087 3.505 2.937 1.00 10.00 H new ATOM 75 N ARG A 6 -15.989 0.916 0.399 1.00 10.00 N ATOM 76 CA ARG A 6 -15.718 -0.425 -0.202 1.00 10.00 C ATOM 77 C ARG A 6 -14.743 -0.285 -1.377 1.00 10.00 C ATOM 78 O ARG A 6 -13.773 -1.013 -1.475 1.00 10.00 O ATOM 79 CB ARG A 6 -17.082 -0.934 -0.684 1.00 10.00 C ATOM 80 CG ARG A 6 -17.262 -2.397 -0.267 1.00 10.00 C ATOM 81 CD ARG A 6 -17.390 -2.486 1.257 1.00 10.00 C ATOM 82 NE ARG A 6 -17.679 -3.921 1.541 1.00 10.00 N ATOM 83 CZ ARG A 6 -18.572 -4.241 2.438 1.00 10.00 C ATOM 84 NH1 ARG A 6 -19.836 -4.301 2.107 1.00 10.00 N ATOM 85 NH2 ARG A 6 -18.201 -4.501 3.664 1.00 10.00 N ATOM 0 H ARG A 6 -16.671 1.485 -0.103 1.00 10.00 H new ATOM 0 HA ARG A 6 -15.262 -1.114 0.509 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -17.880 -0.324 -0.260 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -17.153 -0.843 -1.768 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -18.150 -2.814 -0.741 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -16.412 -2.989 -0.606 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -16.472 -2.164 1.749 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -18.190 -1.843 1.623 1.00 10.00 H new ATOM 0 HE ARG A 6 -17.179 -4.652 1.035 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -20.123 -4.098 1.149 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -20.535 -4.551 2.806 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -17.215 -4.454 3.919 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -18.898 -4.751 4.366 1.00 10.00 H new ATOM 99 N ASP A 7 -14.990 0.652 -2.262 1.00 10.00 N ATOM 100 CA ASP A 7 -14.074 0.852 -3.428 1.00 10.00 C ATOM 101 C ASP A 7 -12.705 1.350 -2.948 1.00 10.00 C ATOM 102 O ASP A 7 -11.677 0.918 -3.433 1.00 10.00 O ATOM 103 CB ASP A 7 -14.754 1.912 -4.300 1.00 10.00 C ATOM 104 CG ASP A 7 -14.222 1.816 -5.732 1.00 10.00 C ATOM 105 OD1 ASP A 7 -13.202 2.427 -6.008 1.00 10.00 O ATOM 106 OD2 ASP A 7 -14.843 1.131 -6.528 1.00 10.00 O ATOM 0 H ASP A 7 -15.787 1.287 -2.226 1.00 10.00 H new ATOM 0 HA ASP A 7 -13.902 -0.074 -3.977 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -15.834 1.766 -4.292 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -14.564 2.906 -3.896 1.00 10.00 H new ATOM 111 N ILE A 8 -12.683 2.249 -1.994 1.00 10.00 N ATOM 112 CA ILE A 8 -11.375 2.766 -1.479 1.00 10.00 C ATOM 113 C ILE A 8 -10.699 1.717 -0.577 1.00 10.00 C ATOM 114 O ILE A 8 -9.506 1.771 -0.349 1.00 10.00 O ATOM 115 CB ILE A 8 -11.722 4.034 -0.682 1.00 10.00 C ATOM 116 CG1 ILE A 8 -12.302 5.090 -1.632 1.00 10.00 C ATOM 117 CG2 ILE A 8 -10.457 4.595 -0.021 1.00 10.00 C ATOM 118 CD1 ILE A 8 -12.908 6.238 -0.823 1.00 10.00 C ATOM 0 H ILE A 8 -13.511 2.646 -1.550 1.00 10.00 H new ATOM 0 HA ILE A 8 -10.674 2.980 -2.286 1.00 10.00 H new ATOM 0 HB ILE A 8 -12.454 3.785 0.087 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -11.520 5.470 -2.290 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -13.064 4.640 -2.269 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -10.709 5.493 0.542 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -10.038 3.849 0.654 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -9.724 4.842 -0.789 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -13.318 6.985 -1.502 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -13.703 5.853 -0.184 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -12.135 6.695 -0.205 1.00 10.00 H new ATOM 130 N TRP A 9 -11.448 0.760 -0.069 1.00 10.00 N ATOM 131 CA TRP A 9 -10.840 -0.289 0.812 1.00 10.00 C ATOM 132 C TRP A 9 -9.803 -1.111 0.033 1.00 10.00 C ATOM 133 O TRP A 9 -8.718 -1.367 0.522 1.00 10.00 O ATOM 134 CB TRP A 9 -12.007 -1.178 1.258 1.00 10.00 C ATOM 135 CG TRP A 9 -11.998 -1.308 2.750 1.00 10.00 C ATOM 136 CD1 TRP A 9 -12.095 -2.476 3.427 1.00 10.00 C ATOM 137 CD2 TRP A 9 -11.889 -0.259 3.758 1.00 10.00 C ATOM 138 NE1 TRP A 9 -12.051 -2.211 4.785 1.00 10.00 N ATOM 139 CE2 TRP A 9 -11.924 -0.860 5.039 1.00 10.00 C ATOM 140 CE3 TRP A 9 -11.762 1.140 3.686 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -11.839 -0.099 6.206 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -11.676 1.908 4.858 1.00 10.00 C ATOM 143 CH2 TRP A 9 -11.714 1.289 6.115 1.00 10.00 C ATOM 0 H TRP A 9 -12.451 0.663 -0.228 1.00 10.00 H new ATOM 0 HA TRP A 9 -10.320 0.150 1.663 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.952 -0.748 0.926 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -11.925 -2.162 0.797 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -12.191 -3.455 2.981 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -12.106 -2.927 5.510 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -11.730 1.627 2.722 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -11.870 -0.580 7.172 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -11.580 2.982 4.791 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -11.647 1.885 7.013 1.00 10.00 H new ATOM 154 N ASP A 10 -10.121 -1.518 -1.175 1.00 10.00 N ATOM 155 CA ASP A 10 -9.141 -2.314 -1.981 1.00 10.00 C ATOM 156 C ASP A 10 -7.880 -1.477 -2.234 1.00 10.00 C ATOM 157 O ASP A 10 -6.771 -1.971 -2.148 1.00 10.00 O ATOM 158 CB ASP A 10 -9.857 -2.633 -3.298 1.00 10.00 C ATOM 159 CG ASP A 10 -9.036 -3.649 -4.097 1.00 10.00 C ATOM 160 OD1 ASP A 10 -9.091 -4.822 -3.763 1.00 10.00 O ATOM 161 OD2 ASP A 10 -8.369 -3.236 -5.031 1.00 10.00 O ATOM 0 H ASP A 10 -11.013 -1.334 -1.635 1.00 10.00 H new ATOM 0 HA ASP A 10 -8.827 -3.225 -1.471 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -10.851 -3.032 -3.096 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -9.992 -1.721 -3.880 1.00 10.00 H new ATOM 166 N TRP A 11 -8.045 -0.208 -2.526 1.00 10.00 N ATOM 167 CA TRP A 11 -6.859 0.671 -2.764 1.00 10.00 C ATOM 168 C TRP A 11 -6.064 0.831 -1.462 1.00 10.00 C ATOM 169 O TRP A 11 -4.849 0.753 -1.456 1.00 10.00 O ATOM 170 CB TRP A 11 -7.440 2.015 -3.222 1.00 10.00 C ATOM 171 CG TRP A 11 -6.345 3.029 -3.329 1.00 10.00 C ATOM 172 CD1 TRP A 11 -5.467 3.120 -4.354 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.996 4.091 -2.395 1.00 10.00 C ATOM 174 NE1 TRP A 11 -4.602 4.170 -4.108 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.887 4.800 -2.913 1.00 10.00 C ATOM 176 CE3 TRP A 11 -6.528 4.503 -1.160 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -4.327 5.881 -2.232 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -5.967 5.590 -0.471 1.00 10.00 C ATOM 179 CH2 TRP A 11 -4.868 6.277 -1.006 1.00 10.00 C ATOM 0 H TRP A 11 -8.950 0.255 -2.609 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.175 0.260 -3.507 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -7.936 1.898 -4.186 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -8.196 2.355 -2.514 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -5.445 2.478 -5.222 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -3.845 4.446 -4.734 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -7.374 3.980 -0.739 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -3.482 6.408 -2.649 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -6.384 5.899 0.476 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -4.440 7.112 -0.471 1.00 10.00 H new ATOM 190 N ILE A 12 -6.744 1.039 -0.357 1.00 10.00 N ATOM 191 CA ILE A 12 -6.034 1.185 0.955 1.00 10.00 C ATOM 192 C ILE A 12 -5.215 -0.085 1.245 1.00 10.00 C ATOM 193 O ILE A 12 -4.153 -0.026 1.836 1.00 10.00 O ATOM 194 CB ILE A 12 -7.149 1.382 1.997 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.623 2.841 1.962 1.00 10.00 C ATOM 196 CG2 ILE A 12 -6.624 1.055 3.401 1.00 10.00 C ATOM 197 CD1 ILE A 12 -8.827 3.018 2.892 1.00 10.00 C ATOM 0 H ILE A 12 -7.760 1.114 -0.308 1.00 10.00 H new ATOM 0 HA ILE A 12 -5.334 2.020 0.965 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.978 0.715 1.762 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.814 3.503 2.270 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.894 3.121 0.944 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.422 1.198 4.130 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -6.286 0.019 3.431 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.791 1.715 3.641 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -9.159 4.056 2.863 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.638 2.368 2.565 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.541 2.757 3.911 1.00 10.00 H new ATOM 209 N CYS A 13 -5.699 -1.228 0.816 1.00 10.00 N ATOM 210 CA CYS A 13 -4.952 -2.501 1.046 1.00 10.00 C ATOM 211 C CYS A 13 -3.710 -2.554 0.144 1.00 10.00 C ATOM 212 O CYS A 13 -2.654 -2.996 0.557 1.00 10.00 O ATOM 213 CB CYS A 13 -5.936 -3.615 0.677 1.00 10.00 C ATOM 214 SG CYS A 13 -5.363 -5.184 1.373 1.00 10.00 S ATOM 0 H CYS A 13 -6.582 -1.331 0.315 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.602 -2.595 2.074 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -6.929 -3.378 1.058 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.021 -3.695 -0.407 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.200 -6.129 1.061 1.00 10.00 H new ATOM 220 N GLU A 14 -3.828 -2.096 -1.083 1.00 10.00 N ATOM 221 CA GLU A 14 -2.654 -2.110 -2.012 1.00 10.00 C ATOM 222 C GLU A 14 -1.587 -1.117 -1.534 1.00 10.00 C ATOM 223 O GLU A 14 -0.401 -1.373 -1.625 1.00 10.00 O ATOM 224 CB GLU A 14 -3.215 -1.694 -3.375 1.00 10.00 C ATOM 225 CG GLU A 14 -3.084 -2.858 -4.360 1.00 10.00 C ATOM 226 CD GLU A 14 -4.152 -2.731 -5.450 1.00 10.00 C ATOM 227 OE1 GLU A 14 -3.920 -1.995 -6.396 1.00 10.00 O ATOM 228 OE2 GLU A 14 -5.182 -3.373 -5.321 1.00 10.00 O ATOM 0 H GLU A 14 -4.687 -1.714 -1.479 1.00 10.00 H new ATOM 0 HA GLU A 14 -2.175 -3.088 -2.056 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -4.261 -1.404 -3.276 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -2.677 -0.824 -3.751 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -2.091 -2.858 -4.808 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -3.197 -3.806 -3.835 1.00 10.00 H new ATOM 235 N VAL A 15 -2.006 0.008 -1.014 1.00 10.00 N ATOM 236 CA VAL A 15 -1.027 1.023 -0.511 1.00 10.00 C ATOM 237 C VAL A 15 -0.308 0.475 0.732 1.00 10.00 C ATOM 238 O VAL A 15 0.857 0.745 0.953 1.00 10.00 O ATOM 239 CB VAL A 15 -1.868 2.258 -0.156 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.979 3.324 0.491 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.498 2.836 -1.429 1.00 10.00 C ATOM 0 H VAL A 15 -2.987 0.270 -0.915 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.260 1.264 -1.247 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.652 1.964 0.542 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -1.581 4.198 0.741 1.00 10.00 H new ATOM 0 HG12 VAL A 15 -0.530 2.921 1.399 1.00 10.00 H new ATOM 0 HG13 VAL A 15 -0.192 3.613 -0.205 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -3.094 3.712 -1.174 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.711 3.123 -2.127 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.137 2.084 -1.892 1.00 10.00 H new ATOM 251 N LEU A 16 -0.996 -0.299 1.538 1.00 10.00 N ATOM 252 CA LEU A 16 -0.360 -0.876 2.763 1.00 10.00 C ATOM 253 C LEU A 16 0.718 -1.895 2.370 1.00 10.00 C ATOM 254 O LEU A 16 1.801 -1.907 2.925 1.00 10.00 O ATOM 255 CB LEU A 16 -1.500 -1.562 3.520 1.00 10.00 C ATOM 256 CG LEU A 16 -1.056 -1.868 4.953 1.00 10.00 C ATOM 257 CD1 LEU A 16 -1.282 -0.636 5.833 1.00 10.00 C ATOM 258 CD2 LEU A 16 -1.874 -3.040 5.500 1.00 10.00 C ATOM 0 H LEU A 16 -1.973 -0.556 1.399 1.00 10.00 H new ATOM 0 HA LEU A 16 0.130 -0.115 3.371 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.381 -0.920 3.531 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.784 -2.484 3.012 1.00 10.00 H new ATOM 0 HG LEU A 16 0.003 -2.128 4.957 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -0.966 -0.854 6.853 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -0.701 0.200 5.444 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.340 -0.375 5.829 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -1.559 -3.259 6.520 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -2.932 -2.779 5.495 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -1.714 -3.918 4.875 1.00 10.00 H new ATOM 270 N SER A 17 0.430 -2.744 1.411 1.00 10.00 N ATOM 271 CA SER A 17 1.441 -3.757 0.975 1.00 10.00 C ATOM 272 C SER A 17 2.574 -3.070 0.204 1.00 10.00 C ATOM 273 O SER A 17 3.731 -3.416 0.351 1.00 10.00 O ATOM 274 CB SER A 17 0.682 -4.734 0.070 1.00 10.00 C ATOM 275 OG SER A 17 0.026 -4.016 -0.970 1.00 10.00 O ATOM 0 H SER A 17 -0.460 -2.778 0.913 1.00 10.00 H new ATOM 0 HA SER A 17 1.897 -4.272 1.821 1.00 10.00 H new ATOM 0 HB2 SER A 17 1.373 -5.461 -0.357 1.00 10.00 H new ATOM 0 HB3 SER A 17 -0.048 -5.294 0.655 1.00 10.00 H new ATOM 0 HG SER A 17 -0.457 -4.644 -1.547 1.00 10.00 H new ATOM 281 N ASP A 18 2.249 -2.092 -0.610 1.00 10.00 N ATOM 282 CA ASP A 18 3.305 -1.373 -1.386 1.00 10.00 C ATOM 283 C ASP A 18 4.201 -0.570 -0.438 1.00 10.00 C ATOM 284 O ASP A 18 5.401 -0.511 -0.618 1.00 10.00 O ATOM 285 CB ASP A 18 2.554 -0.441 -2.338 1.00 10.00 C ATOM 286 CG ASP A 18 3.477 -0.046 -3.492 1.00 10.00 C ATOM 287 OD1 ASP A 18 3.558 -0.802 -4.447 1.00 10.00 O ATOM 288 OD2 ASP A 18 4.089 1.005 -3.401 1.00 10.00 O ATOM 0 H ASP A 18 1.297 -1.762 -0.769 1.00 10.00 H new ATOM 0 HA ASP A 18 3.951 -2.062 -1.930 1.00 10.00 H new ATOM 0 HB2 ASP A 18 1.663 -0.937 -2.723 1.00 10.00 H new ATOM 0 HB3 ASP A 18 2.218 0.448 -1.805 1.00 10.00 H new ATOM 293 N PHE A 19 3.633 0.037 0.579 1.00 10.00 N ATOM 294 CA PHE A 19 4.464 0.821 1.547 1.00 10.00 C ATOM 295 C PHE A 19 5.537 -0.083 2.170 1.00 10.00 C ATOM 296 O PHE A 19 6.609 0.367 2.524 1.00 10.00 O ATOM 297 CB PHE A 19 3.488 1.302 2.624 1.00 10.00 C ATOM 298 CG PHE A 19 3.456 2.814 2.645 1.00 10.00 C ATOM 299 CD1 PHE A 19 4.561 3.531 3.123 1.00 10.00 C ATOM 300 CD2 PHE A 19 2.324 3.497 2.186 1.00 10.00 C ATOM 301 CE1 PHE A 19 4.532 4.930 3.142 1.00 10.00 C ATOM 302 CE2 PHE A 19 2.295 4.897 2.206 1.00 10.00 C ATOM 303 CZ PHE A 19 3.399 5.613 2.684 1.00 10.00 C ATOM 0 H PHE A 19 2.633 0.023 0.779 1.00 10.00 H new ATOM 0 HA PHE A 19 4.978 1.653 1.065 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.490 0.910 2.425 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.791 0.922 3.599 1.00 10.00 H new ATOM 0 HD1 PHE A 19 5.435 3.004 3.477 1.00 10.00 H new ATOM 0 HD2 PHE A 19 1.473 2.944 1.816 1.00 10.00 H new ATOM 0 HE1 PHE A 19 5.384 5.483 3.510 1.00 10.00 H new ATOM 0 HE2 PHE A 19 1.421 5.424 1.853 1.00 10.00 H new ATOM 0 HZ PHE A 19 3.377 6.693 2.699 1.00 10.00 H new ATOM 313 N LYS A 20 5.250 -1.356 2.301 1.00 10.00 N ATOM 314 CA LYS A 20 6.244 -2.300 2.895 1.00 10.00 C ATOM 315 C LYS A 20 7.249 -2.775 1.833 1.00 10.00 C ATOM 316 O LYS A 20 8.406 -2.997 2.130 1.00 10.00 O ATOM 317 CB LYS A 20 5.411 -3.477 3.413 1.00 10.00 C ATOM 318 CG LYS A 20 6.311 -4.449 4.184 1.00 10.00 C ATOM 319 CD LYS A 20 6.214 -4.164 5.686 1.00 10.00 C ATOM 320 CE LYS A 20 5.559 -5.356 6.394 1.00 10.00 C ATOM 321 NZ LYS A 20 6.277 -5.484 7.697 1.00 10.00 N ATOM 0 H LYS A 20 4.366 -1.782 2.021 1.00 10.00 H new ATOM 0 HA LYS A 20 6.829 -1.831 3.686 1.00 10.00 H new ATOM 0 HB2 LYS A 20 4.614 -3.113 4.061 1.00 10.00 H new ATOM 0 HB3 LYS A 20 4.934 -3.992 2.579 1.00 10.00 H new ATOM 0 HG2 LYS A 20 6.011 -5.477 3.979 1.00 10.00 H new ATOM 0 HG3 LYS A 20 7.344 -4.345 3.851 1.00 10.00 H new ATOM 0 HD2 LYS A 20 7.207 -3.985 6.097 1.00 10.00 H new ATOM 0 HD3 LYS A 20 5.630 -3.260 5.858 1.00 10.00 H new ATOM 0 HE2 LYS A 20 4.493 -5.185 6.547 1.00 10.00 H new ATOM 0 HE3 LYS A 20 5.654 -6.266 5.802 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 5.881 -6.281 8.235 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 7.288 -5.654 7.521 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 6.163 -4.607 8.244 1.00 10.00 H new ATOM 335 N THR A 21 6.820 -2.940 0.603 1.00 10.00 N ATOM 336 CA THR A 21 7.761 -3.411 -0.465 1.00 10.00 C ATOM 337 C THR A 21 8.524 -2.231 -1.081 1.00 10.00 C ATOM 338 O THR A 21 9.718 -2.311 -1.290 1.00 10.00 O ATOM 339 CB THR A 21 6.884 -4.102 -1.518 1.00 10.00 C ATOM 340 OG1 THR A 21 5.799 -3.252 -1.872 1.00 10.00 O ATOM 341 CG2 THR A 21 6.344 -5.418 -0.952 1.00 10.00 C ATOM 0 H THR A 21 5.863 -2.770 0.293 1.00 10.00 H new ATOM 0 HA THR A 21 8.513 -4.090 -0.063 1.00 10.00 H new ATOM 0 HB THR A 21 7.482 -4.309 -2.406 1.00 10.00 H new ATOM 0 HG1 THR A 21 5.242 -3.696 -2.545 1.00 10.00 H new ATOM 0 HG21 THR A 21 5.721 -5.908 -1.701 1.00 10.00 H new ATOM 0 HG22 THR A 21 7.177 -6.070 -0.690 1.00 10.00 H new ATOM 0 HG23 THR A 21 5.749 -5.214 -0.062 1.00 10.00 H new ATOM 349 N TRP A 22 7.852 -1.141 -1.365 1.00 10.00 N ATOM 350 CA TRP A 22 8.550 0.046 -1.959 1.00 10.00 C ATOM 351 C TRP A 22 9.729 0.458 -1.073 1.00 10.00 C ATOM 352 O TRP A 22 10.843 0.618 -1.538 1.00 10.00 O ATOM 353 CB TRP A 22 7.499 1.158 -1.988 1.00 10.00 C ATOM 354 CG TRP A 22 7.954 2.255 -2.898 1.00 10.00 C ATOM 355 CD1 TRP A 22 7.697 2.324 -4.225 1.00 10.00 C ATOM 356 CD2 TRP A 22 8.741 3.437 -2.573 1.00 10.00 C ATOM 357 NE1 TRP A 22 8.277 3.473 -4.733 1.00 10.00 N ATOM 358 CE2 TRP A 22 8.931 4.192 -3.754 1.00 10.00 C ATOM 359 CE3 TRP A 22 9.303 3.923 -1.378 1.00 10.00 C ATOM 360 CZ2 TRP A 22 9.653 5.386 -3.751 1.00 10.00 C ATOM 361 CZ3 TRP A 22 10.030 5.124 -1.371 1.00 10.00 C ATOM 362 CH2 TRP A 22 10.205 5.854 -2.555 1.00 10.00 C ATOM 0 H TRP A 22 6.851 -1.021 -1.212 1.00 10.00 H new ATOM 0 HA TRP A 22 8.947 -0.166 -2.952 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.544 0.760 -2.331 1.00 10.00 H new ATOM 0 HB3 TRP A 22 7.340 1.548 -0.983 1.00 10.00 H new ATOM 0 HD1 TRP A 22 7.132 1.601 -4.794 1.00 10.00 H new ATOM 0 HE1 TRP A 22 8.227 3.754 -5.712 1.00 10.00 H new ATOM 0 HE3 TRP A 22 9.174 3.368 -0.460 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 9.784 5.945 -4.666 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 10.457 5.488 -0.448 1.00 10.00 H new ATOM 0 HH2 TRP A 22 10.766 6.777 -2.543 1.00 10.00 H new ATOM 373 N LEU A 23 9.483 0.626 0.202 1.00 10.00 N ATOM 374 CA LEU A 23 10.578 1.024 1.143 1.00 10.00 C ATOM 375 C LEU A 23 11.656 -0.070 1.213 1.00 10.00 C ATOM 376 O LEU A 23 12.828 0.218 1.363 1.00 10.00 O ATOM 377 CB LEU A 23 9.895 1.196 2.507 1.00 10.00 C ATOM 378 CG LEU A 23 10.236 2.573 3.085 1.00 10.00 C ATOM 379 CD1 LEU A 23 9.455 3.656 2.335 1.00 10.00 C ATOM 380 CD2 LEU A 23 9.855 2.612 4.568 1.00 10.00 C ATOM 0 H LEU A 23 8.567 0.504 0.635 1.00 10.00 H new ATOM 0 HA LEU A 23 11.079 1.937 0.820 1.00 10.00 H new ATOM 0 HB2 LEU A 23 8.815 1.093 2.399 1.00 10.00 H new ATOM 0 HB3 LEU A 23 10.223 0.413 3.190 1.00 10.00 H new ATOM 0 HG LEU A 23 11.305 2.754 2.975 1.00 10.00 H new ATOM 0 HD11 LEU A 23 9.700 4.634 2.749 1.00 10.00 H new ATOM 0 HD12 LEU A 23 9.722 3.632 1.279 1.00 10.00 H new ATOM 0 HD13 LEU A 23 8.386 3.474 2.443 1.00 10.00 H new ATOM 0 HD21 LEU A 23 10.097 3.592 4.980 1.00 10.00 H new ATOM 0 HD22 LEU A 23 8.786 2.428 4.674 1.00 10.00 H new ATOM 0 HD23 LEU A 23 10.410 1.844 5.107 1.00 10.00 H new ATOM 392 N LYS A 24 11.270 -1.321 1.101 1.00 10.00 N ATOM 393 CA LYS A 24 12.278 -2.427 1.158 1.00 10.00 C ATOM 394 C LYS A 24 13.062 -2.504 -0.159 1.00 10.00 C ATOM 395 O LYS A 24 14.268 -2.638 -0.159 1.00 10.00 O ATOM 396 CB LYS A 24 11.463 -3.706 1.370 1.00 10.00 C ATOM 397 CG LYS A 24 12.359 -4.791 1.978 1.00 10.00 C ATOM 398 CD LYS A 24 12.455 -4.592 3.494 1.00 10.00 C ATOM 399 CE LYS A 24 11.087 -4.854 4.137 1.00 10.00 C ATOM 400 NZ LYS A 24 11.381 -5.173 5.564 1.00 10.00 N ATOM 0 H LYS A 24 10.304 -1.622 0.973 1.00 10.00 H new ATOM 0 HA LYS A 24 13.007 -2.273 1.954 1.00 10.00 H new ATOM 0 HB2 LYS A 24 10.618 -3.506 2.029 1.00 10.00 H new ATOM 0 HB3 LYS A 24 11.052 -4.049 0.421 1.00 10.00 H new ATOM 0 HG2 LYS A 24 11.953 -5.778 1.756 1.00 10.00 H new ATOM 0 HG3 LYS A 24 13.353 -4.748 1.532 1.00 10.00 H new ATOM 0 HD2 LYS A 24 13.200 -5.268 3.913 1.00 10.00 H new ATOM 0 HD3 LYS A 24 12.784 -3.577 3.717 1.00 10.00 H new ATOM 0 HE2 LYS A 24 10.439 -3.981 4.054 1.00 10.00 H new ATOM 0 HE3 LYS A 24 10.573 -5.681 3.646 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 10.491 -5.364 6.067 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 11.993 -6.012 5.613 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 11.864 -4.366 6.008 1.00 10.00 H new ATOM 414 N ALA A 25 12.378 -2.421 -1.276 1.00 10.00 N ATOM 415 CA ALA A 25 13.070 -2.491 -2.603 1.00 10.00 C ATOM 416 C ALA A 25 14.111 -1.370 -2.741 1.00 10.00 C ATOM 417 O ALA A 25 15.115 -1.532 -3.407 1.00 10.00 O ATOM 418 CB ALA A 25 11.958 -2.314 -3.640 1.00 10.00 C ATOM 0 H ALA A 25 11.366 -2.307 -1.326 1.00 10.00 H new ATOM 0 HA ALA A 25 13.608 -3.431 -2.728 1.00 10.00 H new ATOM 0 HB1 ALA A 25 12.385 -2.353 -4.642 1.00 10.00 H new ATOM 0 HB2 ALA A 25 11.224 -3.112 -3.527 1.00 10.00 H new ATOM 0 HB3 ALA A 25 11.471 -1.350 -3.491 1.00 10.00 H new ATOM 424 N LYS A 26 13.878 -0.236 -2.122 1.00 10.00 N ATOM 425 CA LYS A 26 14.855 0.895 -2.220 1.00 10.00 C ATOM 426 C LYS A 26 16.224 0.481 -1.658 1.00 10.00 C ATOM 427 O LYS A 26 17.252 0.752 -2.251 1.00 10.00 O ATOM 428 CB LYS A 26 14.247 2.020 -1.378 1.00 10.00 C ATOM 429 CG LYS A 26 15.052 3.306 -1.581 1.00 10.00 C ATOM 430 CD LYS A 26 14.364 4.461 -0.849 1.00 10.00 C ATOM 431 CE LYS A 26 14.867 5.797 -1.408 1.00 10.00 C ATOM 432 NZ LYS A 26 13.885 6.173 -2.467 1.00 10.00 N ATOM 0 H LYS A 26 13.053 -0.045 -1.553 1.00 10.00 H new ATOM 0 HA LYS A 26 15.022 1.200 -3.253 1.00 10.00 H new ATOM 0 HB2 LYS A 26 13.208 2.181 -1.664 1.00 10.00 H new ATOM 0 HB3 LYS A 26 14.248 1.741 -0.324 1.00 10.00 H new ATOM 0 HG2 LYS A 26 16.066 3.176 -1.204 1.00 10.00 H new ATOM 0 HG3 LYS A 26 15.133 3.532 -2.644 1.00 10.00 H new ATOM 0 HD2 LYS A 26 13.283 4.389 -0.970 1.00 10.00 H new ATOM 0 HD3 LYS A 26 14.570 4.402 0.220 1.00 10.00 H new ATOM 0 HE2 LYS A 26 14.915 6.557 -0.628 1.00 10.00 H new ATOM 0 HE3 LYS A 26 15.871 5.698 -1.820 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 14.165 7.079 -2.895 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 13.865 5.435 -3.200 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 12.939 6.267 -2.045 1.00 10.00 H new ATOM 446 N LEU A 27 16.245 -0.172 -0.522 1.00 10.00 N ATOM 447 CA LEU A 27 17.548 -0.601 0.077 1.00 10.00 C ATOM 448 C LEU A 27 17.645 -2.134 0.103 1.00 10.00 C ATOM 449 O LEU A 27 16.878 -2.816 -0.547 1.00 10.00 O ATOM 450 CB LEU A 27 17.533 -0.030 1.500 1.00 10.00 C ATOM 451 CG LEU A 27 18.848 0.705 1.776 1.00 10.00 C ATOM 452 CD1 LEU A 27 18.868 2.031 1.011 1.00 10.00 C ATOM 453 CD2 LEU A 27 18.971 0.983 3.276 1.00 10.00 C ATOM 0 H LEU A 27 15.417 -0.427 0.016 1.00 10.00 H new ATOM 0 HA LEU A 27 18.405 -0.245 -0.495 1.00 10.00 H new ATOM 0 HB2 LEU A 27 16.692 0.653 1.619 1.00 10.00 H new ATOM 0 HB3 LEU A 27 17.396 -0.834 2.223 1.00 10.00 H new ATOM 0 HG LEU A 27 19.683 0.085 1.448 1.00 10.00 H new ATOM 0 HD11 LEU A 27 19.805 2.551 1.210 1.00 10.00 H new ATOM 0 HD12 LEU A 27 18.781 1.836 -0.058 1.00 10.00 H new ATOM 0 HD13 LEU A 27 18.033 2.651 1.336 1.00 10.00 H new ATOM 0 HD21 LEU A 27 19.907 1.506 3.474 1.00 10.00 H new ATOM 0 HD22 LEU A 27 18.134 1.601 3.601 1.00 10.00 H new ATOM 0 HD23 LEU A 27 18.960 0.040 3.823 1.00 10.00 H new ATOM 465 N MET A 28 18.588 -2.670 0.853 1.00 10.00 N ATOM 466 CA MET A 28 18.763 -4.162 0.948 1.00 10.00 C ATOM 467 C MET A 28 19.208 -4.758 -0.401 1.00 10.00 C ATOM 468 O MET A 28 18.889 -4.231 -1.450 1.00 10.00 O ATOM 469 CB MET A 28 17.394 -4.721 1.363 1.00 10.00 C ATOM 470 CG MET A 28 17.503 -5.382 2.741 1.00 10.00 C ATOM 471 SD MET A 28 16.156 -4.797 3.800 1.00 10.00 S ATOM 472 CE MET A 28 16.132 -6.204 4.937 1.00 10.00 C ATOM 0 H MET A 28 19.251 -2.130 1.409 1.00 10.00 H new ATOM 0 HA MET A 28 19.538 -4.421 1.669 1.00 10.00 H new ATOM 0 HB2 MET A 28 16.656 -3.919 1.391 1.00 10.00 H new ATOM 0 HB3 MET A 28 17.048 -5.447 0.627 1.00 10.00 H new ATOM 0 HG2 MET A 28 17.456 -6.466 2.641 1.00 10.00 H new ATOM 0 HG3 MET A 28 18.465 -5.145 3.195 1.00 10.00 H new ATOM 0 HE1 MET A 28 15.358 -6.051 5.689 1.00 10.00 H new ATOM 0 HE2 MET A 28 15.921 -7.118 4.381 1.00 10.00 H new ATOM 0 HE3 MET A 28 17.102 -6.293 5.427 1.00 10.00 H new ATOM 482 N PRO A 29 19.939 -5.848 -0.324 1.00 10.00 N ATOM 483 CA PRO A 29 20.433 -6.525 -1.550 1.00 10.00 C ATOM 484 C PRO A 29 19.290 -7.284 -2.247 1.00 10.00 C ATOM 485 O PRO A 29 18.682 -6.781 -3.173 1.00 10.00 O ATOM 486 CB PRO A 29 21.507 -7.477 -1.026 1.00 10.00 C ATOM 487 CG PRO A 29 21.152 -7.731 0.408 1.00 10.00 C ATOM 488 CD PRO A 29 20.370 -6.540 0.901 1.00 10.00 C ATOM 0 HA PRO A 29 20.822 -5.835 -2.298 1.00 10.00 H new ATOM 0 HB2 PRO A 29 21.521 -8.405 -1.597 1.00 10.00 H new ATOM 0 HB3 PRO A 29 22.499 -7.035 -1.112 1.00 10.00 H new ATOM 0 HG2 PRO A 29 20.561 -8.642 0.501 1.00 10.00 H new ATOM 0 HG3 PRO A 29 22.052 -7.873 1.006 1.00 10.00 H new ATOM 0 HD2 PRO A 29 19.516 -6.848 1.504 1.00 10.00 H new ATOM 0 HD3 PRO A 29 20.985 -5.893 1.527 1.00 10.00 H new ATOM 496 N GLN A 30 18.991 -8.483 -1.809 1.00 10.00 N ATOM 497 CA GLN A 30 17.884 -9.263 -2.445 1.00 10.00 C ATOM 498 C GLN A 30 16.534 -8.772 -1.909 1.00 10.00 C ATOM 499 O GLN A 30 16.197 -9.004 -0.762 1.00 10.00 O ATOM 500 CB GLN A 30 18.124 -10.722 -2.040 1.00 10.00 C ATOM 501 CG GLN A 30 19.423 -11.231 -2.675 1.00 10.00 C ATOM 502 CD GLN A 30 20.445 -11.534 -1.576 1.00 10.00 C ATOM 503 OE1 GLN A 30 21.053 -10.633 -1.032 1.00 10.00 O ATOM 504 NE2 GLN A 30 20.662 -12.772 -1.222 1.00 10.00 N ATOM 0 H GLN A 30 19.465 -8.955 -1.039 1.00 10.00 H new ATOM 0 HA GLN A 30 17.867 -9.148 -3.529 1.00 10.00 H new ATOM 0 HB2 GLN A 30 18.183 -10.803 -0.955 1.00 10.00 H new ATOM 0 HB3 GLN A 30 17.285 -11.340 -2.360 1.00 10.00 H new ATOM 0 HG2 GLN A 30 19.226 -12.129 -3.261 1.00 10.00 H new ATOM 0 HG3 GLN A 30 19.822 -10.484 -3.361 1.00 10.00 H new ATOM 0 HE21 GLN A 30 20.153 -13.529 -1.677 1.00 10.00 H new ATOM 0 HE22 GLN A 30 21.341 -12.982 -0.490 1.00 10.00 H new ATOM 513 N LEU A 31 15.769 -8.089 -2.732 1.00 10.00 N ATOM 514 CA LEU A 31 14.435 -7.559 -2.291 1.00 10.00 C ATOM 515 C LEU A 31 14.604 -6.636 -1.068 1.00 10.00 C ATOM 516 O LEU A 31 14.069 -6.951 -0.015 1.00 10.00 O ATOM 517 CB LEU A 31 13.589 -8.800 -1.955 1.00 10.00 C ATOM 518 CG LEU A 31 12.985 -9.375 -3.239 1.00 10.00 C ATOM 519 CD1 LEU A 31 12.837 -10.892 -3.102 1.00 10.00 C ATOM 520 CD2 LEU A 31 11.608 -8.751 -3.480 1.00 10.00 C ATOM 521 OXT LEU A 31 15.270 -5.622 -1.211 1.00 10.00 O ATOM 0 H LEU A 31 16.014 -7.874 -3.699 1.00 10.00 H new ATOM 0 HA LEU A 31 13.954 -6.957 -3.062 1.00 10.00 H new ATOM 0 HB2 LEU A 31 14.207 -9.552 -1.464 1.00 10.00 H new ATOM 0 HB3 LEU A 31 12.796 -8.533 -1.256 1.00 10.00 H new ATOM 0 HG LEU A 31 13.641 -9.148 -4.079 1.00 10.00 H new ATOM 0 HD11 LEU A 31 12.407 -11.300 -4.017 1.00 10.00 H new ATOM 0 HD12 LEU A 31 13.816 -11.339 -2.931 1.00 10.00 H new ATOM 0 HD13 LEU A 31 12.182 -11.119 -2.261 1.00 10.00 H new ATOM 0 HD21 LEU A 31 11.178 -9.160 -4.394 1.00 10.00 H new ATOM 0 HD22 LEU A 31 10.954 -8.977 -2.638 1.00 10.00 H new ATOM 0 HD23 LEU A 31 11.711 -7.670 -3.580 1.00 10.00 H new TER 533 LEU A 31