USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=9 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+ 155:sc= 0.0673 (180deg=0.000514) USER MOD Single : A 1 SER OG : rot 180:sc= 0.05 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= -0.0424 USER MOD Single : A 20 LYS NZ :NH3+ -163:sc= -0.216 (180deg=-0.395) USER MOD Single : A 21 THR OG1 : rot 180:sc=0.000232 USER MOD Single : A 24 LYS NZ :NH3+ -155:sc= -0.138 (180deg=-2.04) USER MOD Single : A 26 LYS NZ :NH3+ -142:sc= 0.0111 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.0233 X(o=-0.023,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -26.632 6.214 4.929 1.00 10.00 N ATOM 2 CA SER A 1 -26.693 4.911 4.199 1.00 10.00 C ATOM 3 C SER A 1 -25.708 4.915 3.024 1.00 10.00 C ATOM 4 O SER A 1 -25.624 5.873 2.279 1.00 10.00 O ATOM 5 CB SER A 1 -28.132 4.800 3.691 1.00 10.00 C ATOM 6 OG SER A 1 -29.026 4.848 4.797 1.00 10.00 O ATOM 0 H1 SER A 1 -27.535 6.381 5.417 1.00 10.00 H new ATOM 0 H2 SER A 1 -25.861 6.185 5.627 1.00 10.00 H new ATOM 0 H3 SER A 1 -26.457 6.984 4.252 1.00 10.00 H new ATOM 0 HA SER A 1 -26.423 4.071 4.838 1.00 10.00 H new ATOM 0 HB2 SER A 1 -28.349 5.613 2.998 1.00 10.00 H new ATOM 0 HB3 SER A 1 -28.265 3.868 3.141 1.00 10.00 H new ATOM 0 HG SER A 1 -29.949 4.779 4.475 1.00 10.00 H new ATOM 14 N GLY A 2 -24.964 3.849 2.855 1.00 10.00 N ATOM 15 CA GLY A 2 -23.983 3.784 1.729 1.00 10.00 C ATOM 16 C GLY A 2 -22.614 4.279 2.206 1.00 10.00 C ATOM 17 O GLY A 2 -22.518 5.218 2.976 1.00 10.00 O ATOM 0 H GLY A 2 -24.994 3.021 3.449 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -23.903 2.760 1.363 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -24.331 4.394 0.896 1.00 10.00 H new ATOM 21 N SER A 3 -21.554 3.656 1.752 1.00 10.00 N ATOM 22 CA SER A 3 -20.186 4.086 2.173 1.00 10.00 C ATOM 23 C SER A 3 -19.229 4.062 0.975 1.00 10.00 C ATOM 24 O SER A 3 -18.986 3.025 0.385 1.00 10.00 O ATOM 25 CB SER A 3 -19.752 3.066 3.228 1.00 10.00 C ATOM 26 OG SER A 3 -18.443 3.387 3.685 1.00 10.00 O ATOM 0 H SER A 3 -21.578 2.867 1.107 1.00 10.00 H new ATOM 0 HA SER A 3 -20.178 5.103 2.565 1.00 10.00 H new ATOM 0 HB2 SER A 3 -20.452 3.070 4.063 1.00 10.00 H new ATOM 0 HB3 SER A 3 -19.766 2.061 2.806 1.00 10.00 H new ATOM 0 HG SER A 3 -18.164 2.736 4.362 1.00 10.00 H new ATOM 32 N TRP A 4 -18.681 5.199 0.621 1.00 10.00 N ATOM 33 CA TRP A 4 -17.730 5.253 -0.534 1.00 10.00 C ATOM 34 C TRP A 4 -16.359 4.707 -0.114 1.00 10.00 C ATOM 35 O TRP A 4 -15.662 4.092 -0.899 1.00 10.00 O ATOM 36 CB TRP A 4 -17.626 6.736 -0.905 1.00 10.00 C ATOM 37 CG TRP A 4 -17.900 6.906 -2.364 1.00 10.00 C ATOM 38 CD1 TRP A 4 -19.002 7.491 -2.886 1.00 10.00 C ATOM 39 CD2 TRP A 4 -17.079 6.498 -3.497 1.00 10.00 C ATOM 40 NE1 TRP A 4 -18.911 7.467 -4.266 1.00 10.00 N ATOM 41 CE2 TRP A 4 -17.743 6.865 -4.690 1.00 10.00 C ATOM 42 CE3 TRP A 4 -15.835 5.849 -3.603 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -17.192 6.600 -5.945 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -15.279 5.581 -4.863 1.00 10.00 C ATOM 45 CH2 TRP A 4 -15.956 5.955 -6.032 1.00 10.00 C ATOM 0 H TRP A 4 -18.851 6.093 1.082 1.00 10.00 H new ATOM 0 HA TRP A 4 -18.072 4.650 -1.375 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -18.338 7.319 -0.320 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -16.632 7.113 -0.665 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -19.820 7.909 -2.318 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -19.620 7.847 -4.893 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -15.305 5.555 -2.709 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -17.718 6.892 -6.842 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -14.323 5.083 -4.933 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -15.523 5.745 -6.999 1.00 10.00 H new ATOM 56 N LEU A 5 -15.973 4.927 1.123 1.00 10.00 N ATOM 57 CA LEU A 5 -14.648 4.425 1.614 1.00 10.00 C ATOM 58 C LEU A 5 -14.519 2.911 1.387 1.00 10.00 C ATOM 59 O LEU A 5 -13.437 2.410 1.158 1.00 10.00 O ATOM 60 CB LEU A 5 -14.622 4.744 3.113 1.00 10.00 C ATOM 61 CG LEU A 5 -14.020 6.135 3.334 1.00 10.00 C ATOM 62 CD1 LEU A 5 -15.139 7.178 3.387 1.00 10.00 C ATOM 63 CD2 LEU A 5 -13.247 6.151 4.656 1.00 10.00 C ATOM 0 H LEU A 5 -16.522 5.435 1.816 1.00 10.00 H new ATOM 0 HA LEU A 5 -13.820 4.893 1.082 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -15.632 4.705 3.520 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -14.035 3.995 3.644 1.00 10.00 H new ATOM 0 HG LEU A 5 -13.344 6.371 2.512 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -14.708 8.167 3.544 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -15.690 7.168 2.447 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -15.817 6.943 4.208 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -12.818 7.140 4.815 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -13.924 5.913 5.476 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -12.448 5.411 4.619 1.00 10.00 H new ATOM 75 N ARG A 6 -15.613 2.183 1.443 1.00 10.00 N ATOM 76 CA ARG A 6 -15.549 0.702 1.223 1.00 10.00 C ATOM 77 C ARG A 6 -14.844 0.390 -0.105 1.00 10.00 C ATOM 78 O ARG A 6 -14.057 -0.533 -0.194 1.00 10.00 O ATOM 79 CB ARG A 6 -17.008 0.237 1.177 1.00 10.00 C ATOM 80 CG ARG A 6 -17.057 -1.294 1.172 1.00 10.00 C ATOM 81 CD ARG A 6 -18.057 -1.776 0.116 1.00 10.00 C ATOM 82 NE ARG A 6 -19.199 -2.333 0.895 1.00 10.00 N ATOM 83 CZ ARG A 6 -20.365 -1.748 0.855 1.00 10.00 C ATOM 84 NH1 ARG A 6 -20.575 -0.666 1.555 1.00 10.00 N ATOM 85 NH2 ARG A 6 -21.322 -2.252 0.117 1.00 10.00 N ATOM 0 H ARG A 6 -16.545 2.551 1.631 1.00 10.00 H new ATOM 0 HA ARG A 6 -14.987 0.197 2.008 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -17.552 0.626 2.038 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -17.498 0.630 0.286 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -16.067 -1.698 0.960 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -17.348 -1.661 2.156 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -18.379 -0.956 -0.526 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -17.614 -2.533 -0.531 1.00 10.00 H new ATOM 0 HE ARG A 6 -19.069 -3.172 1.460 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -19.828 -0.279 2.132 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -21.486 -0.208 1.525 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -21.155 -3.100 -0.425 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -22.234 -1.797 0.084 1.00 10.00 H new ATOM 99 N ASP A 7 -15.115 1.160 -1.131 1.00 10.00 N ATOM 100 CA ASP A 7 -14.455 0.924 -2.450 1.00 10.00 C ATOM 101 C ASP A 7 -12.984 1.356 -2.380 1.00 10.00 C ATOM 102 O ASP A 7 -12.101 0.667 -2.857 1.00 10.00 O ATOM 103 CB ASP A 7 -15.231 1.795 -3.445 1.00 10.00 C ATOM 104 CG ASP A 7 -14.644 1.624 -4.847 1.00 10.00 C ATOM 105 OD1 ASP A 7 -14.881 0.586 -5.444 1.00 10.00 O ATOM 106 OD2 ASP A 7 -13.970 2.533 -5.300 1.00 10.00 O ATOM 0 H ASP A 7 -15.767 1.944 -1.110 1.00 10.00 H new ATOM 0 HA ASP A 7 -14.466 -0.126 -2.742 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -16.284 1.514 -3.445 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -15.180 2.841 -3.144 1.00 10.00 H new ATOM 111 N ILE A 8 -12.718 2.489 -1.776 1.00 10.00 N ATOM 112 CA ILE A 8 -11.306 2.973 -1.656 1.00 10.00 C ATOM 113 C ILE A 8 -10.509 2.048 -0.722 1.00 10.00 C ATOM 114 O ILE A 8 -9.317 1.869 -0.891 1.00 10.00 O ATOM 115 CB ILE A 8 -11.407 4.388 -1.068 1.00 10.00 C ATOM 116 CG1 ILE A 8 -12.200 5.290 -2.023 1.00 10.00 C ATOM 117 CG2 ILE A 8 -10.002 4.970 -0.876 1.00 10.00 C ATOM 118 CD1 ILE A 8 -13.136 6.193 -1.218 1.00 10.00 C ATOM 0 H ILE A 8 -13.420 3.101 -1.360 1.00 10.00 H new ATOM 0 HA ILE A 8 -10.789 2.977 -2.616 1.00 10.00 H new ATOM 0 HB ILE A 8 -11.916 4.338 -0.106 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -11.517 5.896 -2.618 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -12.776 4.681 -2.720 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -10.078 5.974 -0.459 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -9.435 4.336 -0.194 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -9.492 5.015 -1.838 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -13.698 6.833 -1.898 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -13.828 5.579 -0.642 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -12.549 6.812 -0.539 1.00 10.00 H new ATOM 130 N TRP A 9 -11.159 1.457 0.257 1.00 10.00 N ATOM 131 CA TRP A 9 -10.445 0.536 1.199 1.00 10.00 C ATOM 132 C TRP A 9 -9.748 -0.583 0.417 1.00 10.00 C ATOM 133 O TRP A 9 -8.632 -0.957 0.725 1.00 10.00 O ATOM 134 CB TRP A 9 -11.532 -0.041 2.113 1.00 10.00 C ATOM 135 CG TRP A 9 -11.549 0.709 3.408 1.00 10.00 C ATOM 136 CD1 TRP A 9 -12.642 1.291 3.954 1.00 10.00 C ATOM 137 CD2 TRP A 9 -10.446 0.968 4.326 1.00 10.00 C ATOM 138 NE1 TRP A 9 -12.280 1.890 5.147 1.00 10.00 N ATOM 139 CE2 TRP A 9 -10.937 1.718 5.420 1.00 10.00 C ATOM 140 CE3 TRP A 9 -9.082 0.626 4.314 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -10.104 2.117 6.466 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -8.240 1.026 5.365 1.00 10.00 C ATOM 143 CH2 TRP A 9 -8.750 1.770 6.439 1.00 10.00 C ATOM 0 H TRP A 9 -12.155 1.574 0.443 1.00 10.00 H new ATOM 0 HA TRP A 9 -9.675 1.054 1.771 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.505 0.030 1.627 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -11.344 -1.099 2.296 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -13.634 1.288 3.528 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -12.926 2.397 5.752 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -8.679 0.053 3.492 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -10.502 2.690 7.290 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -7.194 0.759 5.346 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -8.098 2.074 7.244 1.00 10.00 H new ATOM 154 N ASP A 10 -10.389 -1.107 -0.602 1.00 10.00 N ATOM 155 CA ASP A 10 -9.749 -2.188 -1.416 1.00 10.00 C ATOM 156 C ASP A 10 -8.453 -1.654 -2.041 1.00 10.00 C ATOM 157 O ASP A 10 -7.420 -2.296 -1.992 1.00 10.00 O ATOM 158 CB ASP A 10 -10.773 -2.539 -2.500 1.00 10.00 C ATOM 159 CG ASP A 10 -10.229 -3.666 -3.382 1.00 10.00 C ATOM 160 OD1 ASP A 10 -10.168 -4.789 -2.907 1.00 10.00 O ATOM 161 OD2 ASP A 10 -9.885 -3.387 -4.518 1.00 10.00 O ATOM 0 H ASP A 10 -11.324 -0.833 -0.904 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.487 -3.063 -0.822 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.712 -2.846 -2.040 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -10.988 -1.660 -3.108 1.00 10.00 H new ATOM 166 N TRP A 11 -8.502 -0.471 -2.610 1.00 10.00 N ATOM 167 CA TRP A 11 -7.274 0.125 -3.218 1.00 10.00 C ATOM 168 C TRP A 11 -6.249 0.433 -2.118 1.00 10.00 C ATOM 169 O TRP A 11 -5.061 0.237 -2.298 1.00 10.00 O ATOM 170 CB TRP A 11 -7.744 1.414 -3.904 1.00 10.00 C ATOM 171 CG TRP A 11 -6.556 2.211 -4.339 1.00 10.00 C ATOM 172 CD1 TRP A 11 -5.857 2.007 -5.478 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.912 3.326 -3.657 1.00 10.00 C ATOM 174 NE1 TRP A 11 -4.826 2.928 -5.540 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.819 3.763 -4.440 1.00 10.00 C ATOM 176 CE3 TRP A 11 -6.169 3.994 -2.446 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -4.009 4.826 -4.038 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -5.356 5.064 -2.037 1.00 10.00 C ATOM 179 CH2 TRP A 11 -4.278 5.479 -2.832 1.00 10.00 C ATOM 0 H TRP A 11 -9.341 0.105 -2.678 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.792 -0.548 -3.927 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.368 1.173 -4.764 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -8.357 2.000 -3.219 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -6.069 1.249 -6.218 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -4.153 2.983 -6.305 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -6.997 3.682 -1.827 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -3.180 5.142 -4.654 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -5.562 5.570 -1.105 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -3.656 6.302 -2.513 1.00 10.00 H new ATOM 190 N ILE A 12 -6.700 0.902 -0.974 1.00 10.00 N ATOM 191 CA ILE A 12 -5.750 1.204 0.145 1.00 10.00 C ATOM 192 C ILE A 12 -4.953 -0.063 0.491 1.00 10.00 C ATOM 193 O ILE A 12 -3.764 -0.008 0.741 1.00 10.00 O ATOM 194 CB ILE A 12 -6.634 1.646 1.323 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.125 3.078 1.082 1.00 10.00 C ATOM 196 CG2 ILE A 12 -5.828 1.605 2.627 1.00 10.00 C ATOM 197 CD1 ILE A 12 -8.318 3.377 1.994 1.00 10.00 C ATOM 0 H ILE A 12 -7.682 1.087 -0.769 1.00 10.00 H new ATOM 0 HA ILE A 12 -5.027 1.978 -0.111 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.485 0.970 1.403 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.320 3.786 1.277 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.413 3.203 0.038 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -6.462 1.920 3.456 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -5.475 0.589 2.805 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -4.974 2.277 2.548 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.663 4.396 1.819 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.126 2.678 1.777 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.015 3.270 3.036 1.00 10.00 H new ATOM 209 N CYS A 13 -5.602 -1.205 0.477 1.00 10.00 N ATOM 210 CA CYS A 13 -4.890 -2.485 0.776 1.00 10.00 C ATOM 211 C CYS A 13 -3.932 -2.819 -0.378 1.00 10.00 C ATOM 212 O CYS A 13 -2.854 -3.343 -0.168 1.00 10.00 O ATOM 213 CB CYS A 13 -5.996 -3.539 0.887 1.00 10.00 C ATOM 214 SG CYS A 13 -5.268 -5.142 1.310 1.00 10.00 S ATOM 0 H CYS A 13 -6.596 -1.303 0.271 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.294 -2.434 1.687 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -6.718 -3.244 1.648 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.538 -3.612 -0.056 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.209 -6.034 1.406 1.00 10.00 H new ATOM 220 N GLU A 14 -4.316 -2.500 -1.594 1.00 10.00 N ATOM 221 CA GLU A 14 -3.434 -2.773 -2.769 1.00 10.00 C ATOM 222 C GLU A 14 -2.128 -1.981 -2.640 1.00 10.00 C ATOM 223 O GLU A 14 -1.073 -2.434 -3.037 1.00 10.00 O ATOM 224 CB GLU A 14 -4.231 -2.295 -3.984 1.00 10.00 C ATOM 225 CG GLU A 14 -4.697 -3.498 -4.805 1.00 10.00 C ATOM 226 CD GLU A 14 -5.828 -3.068 -5.742 1.00 10.00 C ATOM 227 OE1 GLU A 14 -5.552 -2.331 -6.675 1.00 10.00 O ATOM 228 OE2 GLU A 14 -6.952 -3.480 -5.508 1.00 10.00 O ATOM 0 H GLU A 14 -5.208 -2.060 -1.820 1.00 10.00 H new ATOM 0 HA GLU A 14 -3.164 -3.826 -2.848 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -5.091 -1.710 -3.659 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -3.615 -1.640 -4.600 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -3.865 -3.902 -5.383 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -5.041 -4.293 -4.143 1.00 10.00 H new ATOM 235 N VAL A 15 -2.201 -0.804 -2.076 1.00 10.00 N ATOM 236 CA VAL A 15 -0.973 0.032 -1.897 1.00 10.00 C ATOM 237 C VAL A 15 -0.218 -0.409 -0.632 1.00 10.00 C ATOM 238 O VAL A 15 0.987 -0.278 -0.546 1.00 10.00 O ATOM 239 CB VAL A 15 -1.480 1.474 -1.753 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.289 2.426 -1.602 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.285 1.867 -2.997 1.00 10.00 C ATOM 0 H VAL A 15 -3.062 -0.382 -1.729 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.281 -0.066 -2.733 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.117 1.541 -0.871 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -0.651 3.449 -1.500 1.00 10.00 H new ATOM 0 HG12 VAL A 15 0.284 2.154 -0.716 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.349 2.353 -2.483 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.643 2.891 -2.890 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.649 1.795 -3.880 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.136 1.195 -3.107 1.00 10.00 H new ATOM 251 N LEU A 16 -0.923 -0.931 0.349 1.00 10.00 N ATOM 252 CA LEU A 16 -0.254 -1.383 1.610 1.00 10.00 C ATOM 253 C LEU A 16 0.777 -2.479 1.309 1.00 10.00 C ATOM 254 O LEU A 16 1.881 -2.453 1.820 1.00 10.00 O ATOM 255 CB LEU A 16 -1.382 -1.934 2.493 1.00 10.00 C ATOM 256 CG LEU A 16 -1.179 -1.496 3.951 1.00 10.00 C ATOM 257 CD1 LEU A 16 0.213 -1.917 4.436 1.00 10.00 C ATOM 258 CD2 LEU A 16 -1.315 0.027 4.054 1.00 10.00 C ATOM 0 H LEU A 16 -1.934 -1.062 0.328 1.00 10.00 H new ATOM 0 HA LEU A 16 0.283 -0.570 2.098 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.345 -1.577 2.129 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.402 -3.022 2.432 1.00 10.00 H new ATOM 0 HG LEU A 16 -1.935 -1.974 4.574 1.00 10.00 H new ATOM 0 HD11 LEU A 16 0.348 -1.602 5.471 1.00 10.00 H new ATOM 0 HD12 LEU A 16 0.309 -3.001 4.371 1.00 10.00 H new ATOM 0 HD13 LEU A 16 0.973 -1.448 3.812 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -1.171 0.336 5.089 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -0.563 0.503 3.425 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -2.309 0.327 3.721 1.00 10.00 H new ATOM 270 N SER A 17 0.429 -3.437 0.479 1.00 10.00 N ATOM 271 CA SER A 17 1.399 -4.530 0.139 1.00 10.00 C ATOM 272 C SER A 17 2.675 -3.928 -0.463 1.00 10.00 C ATOM 273 O SER A 17 3.775 -4.348 -0.150 1.00 10.00 O ATOM 274 CB SER A 17 0.680 -5.413 -0.886 1.00 10.00 C ATOM 275 OG SER A 17 0.179 -4.604 -1.943 1.00 10.00 O ATOM 0 H SER A 17 -0.481 -3.509 0.024 1.00 10.00 H new ATOM 0 HA SER A 17 1.698 -5.103 1.017 1.00 10.00 H new ATOM 0 HB2 SER A 17 1.366 -6.162 -1.281 1.00 10.00 H new ATOM 0 HB3 SER A 17 -0.138 -5.951 -0.407 1.00 10.00 H new ATOM 0 HG SER A 17 -0.279 -5.170 -2.599 1.00 10.00 H new ATOM 281 N ASP A 18 2.535 -2.935 -1.307 1.00 10.00 N ATOM 282 CA ASP A 18 3.737 -2.288 -1.910 1.00 10.00 C ATOM 283 C ASP A 18 4.384 -1.353 -0.887 1.00 10.00 C ATOM 284 O ASP A 18 5.588 -1.257 -0.812 1.00 10.00 O ATOM 285 CB ASP A 18 3.220 -1.494 -3.114 1.00 10.00 C ATOM 286 CG ASP A 18 4.374 -0.703 -3.739 1.00 10.00 C ATOM 287 OD1 ASP A 18 5.061 -1.259 -4.580 1.00 10.00 O ATOM 288 OD2 ASP A 18 4.555 0.444 -3.364 1.00 10.00 O ATOM 0 H ASP A 18 1.640 -2.546 -1.603 1.00 10.00 H new ATOM 0 HA ASP A 18 4.490 -3.016 -2.210 1.00 10.00 H new ATOM 0 HB2 ASP A 18 2.788 -2.171 -3.851 1.00 10.00 H new ATOM 0 HB3 ASP A 18 2.427 -0.815 -2.802 1.00 10.00 H new ATOM 293 N PHE A 19 3.585 -0.666 -0.101 1.00 10.00 N ATOM 294 CA PHE A 19 4.139 0.270 0.932 1.00 10.00 C ATOM 295 C PHE A 19 5.293 -0.390 1.693 1.00 10.00 C ATOM 296 O PHE A 19 6.352 0.185 1.852 1.00 10.00 O ATOM 297 CB PHE A 19 2.971 0.550 1.884 1.00 10.00 C ATOM 298 CG PHE A 19 2.965 2.010 2.268 1.00 10.00 C ATOM 299 CD1 PHE A 19 3.896 2.494 3.194 1.00 10.00 C ATOM 300 CD2 PHE A 19 2.027 2.879 1.698 1.00 10.00 C ATOM 301 CE1 PHE A 19 3.891 3.847 3.551 1.00 10.00 C ATOM 302 CE2 PHE A 19 2.021 4.234 2.055 1.00 10.00 C ATOM 303 CZ PHE A 19 2.954 4.716 2.981 1.00 10.00 C ATOM 0 H PHE A 19 2.567 -0.714 -0.132 1.00 10.00 H new ATOM 0 HA PHE A 19 4.534 1.181 0.483 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.028 0.286 1.405 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.060 -0.070 2.776 1.00 10.00 H new ATOM 0 HD1 PHE A 19 4.619 1.823 3.633 1.00 10.00 H new ATOM 0 HD2 PHE A 19 1.308 2.505 0.984 1.00 10.00 H new ATOM 0 HE1 PHE A 19 4.610 4.220 4.266 1.00 10.00 H new ATOM 0 HE2 PHE A 19 1.298 4.906 1.617 1.00 10.00 H new ATOM 0 HZ PHE A 19 2.950 5.760 3.256 1.00 10.00 H new ATOM 313 N LYS A 20 5.092 -1.599 2.159 1.00 10.00 N ATOM 314 CA LYS A 20 6.175 -2.308 2.907 1.00 10.00 C ATOM 315 C LYS A 20 7.382 -2.557 1.993 1.00 10.00 C ATOM 316 O LYS A 20 8.517 -2.354 2.386 1.00 10.00 O ATOM 317 CB LYS A 20 5.555 -3.635 3.361 1.00 10.00 C ATOM 318 CG LYS A 20 6.477 -4.313 4.380 1.00 10.00 C ATOM 319 CD LYS A 20 6.276 -3.684 5.763 1.00 10.00 C ATOM 320 CE LYS A 20 7.245 -2.507 5.943 1.00 10.00 C ATOM 321 NZ LYS A 20 6.378 -1.330 6.246 1.00 10.00 N ATOM 0 H LYS A 20 4.224 -2.125 2.053 1.00 10.00 H new ATOM 0 HA LYS A 20 6.537 -1.723 3.753 1.00 10.00 H new ATOM 0 HB2 LYS A 20 4.575 -3.457 3.804 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.402 -4.289 2.502 1.00 10.00 H new ATOM 0 HG2 LYS A 20 6.264 -5.381 4.422 1.00 10.00 H new ATOM 0 HG3 LYS A 20 7.517 -4.207 4.070 1.00 10.00 H new ATOM 0 HD2 LYS A 20 5.247 -3.340 5.870 1.00 10.00 H new ATOM 0 HD3 LYS A 20 6.446 -4.429 6.540 1.00 10.00 H new ATOM 0 HE2 LYS A 20 7.949 -2.697 6.753 1.00 10.00 H new ATOM 0 HE3 LYS A 20 7.834 -2.340 5.041 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 6.918 -0.454 6.099 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 5.551 -1.337 5.616 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 6.060 -1.378 7.235 1.00 10.00 H new ATOM 335 N THR A 21 7.148 -2.986 0.774 1.00 10.00 N ATOM 336 CA THR A 21 8.284 -3.237 -0.168 1.00 10.00 C ATOM 337 C THR A 21 8.909 -1.905 -0.601 1.00 10.00 C ATOM 338 O THR A 21 10.111 -1.796 -0.737 1.00 10.00 O ATOM 339 CB THR A 21 7.669 -3.960 -1.375 1.00 10.00 C ATOM 340 OG1 THR A 21 6.841 -5.025 -0.925 1.00 10.00 O ATOM 341 CG2 THR A 21 8.785 -4.522 -2.261 1.00 10.00 C ATOM 0 H THR A 21 6.221 -3.173 0.392 1.00 10.00 H new ATOM 0 HA THR A 21 9.073 -3.831 0.293 1.00 10.00 H new ATOM 0 HB THR A 21 7.070 -3.253 -1.949 1.00 10.00 H new ATOM 0 HG1 THR A 21 6.449 -5.483 -1.697 1.00 10.00 H new ATOM 0 HG21 THR A 21 8.347 -5.035 -3.117 1.00 10.00 H new ATOM 0 HG22 THR A 21 9.417 -3.706 -2.611 1.00 10.00 H new ATOM 0 HG23 THR A 21 9.387 -5.226 -1.686 1.00 10.00 H new ATOM 349 N TRP A 22 8.099 -0.895 -0.810 1.00 10.00 N ATOM 350 CA TRP A 22 8.630 0.440 -1.224 1.00 10.00 C ATOM 351 C TRP A 22 9.690 0.910 -0.226 1.00 10.00 C ATOM 352 O TRP A 22 10.766 1.333 -0.602 1.00 10.00 O ATOM 353 CB TRP A 22 7.419 1.375 -1.189 1.00 10.00 C ATOM 354 CG TRP A 22 7.677 2.562 -2.061 1.00 10.00 C ATOM 355 CD1 TRP A 22 7.404 2.629 -3.385 1.00 10.00 C ATOM 356 CD2 TRP A 22 8.251 3.850 -1.695 1.00 10.00 C ATOM 357 NE1 TRP A 22 7.776 3.877 -3.853 1.00 10.00 N ATOM 358 CE2 TRP A 22 8.303 4.665 -2.849 1.00 10.00 C ATOM 359 CE3 TRP A 22 8.728 4.382 -0.483 1.00 10.00 C ATOM 360 CZ2 TRP A 22 8.811 5.964 -2.804 1.00 10.00 C ATOM 361 CZ3 TRP A 22 9.239 5.689 -0.434 1.00 10.00 C ATOM 362 CH2 TRP A 22 9.280 6.478 -1.593 1.00 10.00 C ATOM 0 H TRP A 22 7.085 -0.940 -0.710 1.00 10.00 H new ATOM 0 HA TRP A 22 9.099 0.414 -2.208 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.529 0.847 -1.531 1.00 10.00 H new ATOM 0 HB3 TRP A 22 7.225 1.698 -0.166 1.00 10.00 H new ATOM 0 HD1 TRP A 22 6.968 1.839 -3.978 1.00 10.00 H new ATOM 0 HE1 TRP A 22 7.673 4.178 -4.822 1.00 10.00 H new ATOM 0 HE3 TRP A 22 8.701 3.782 0.415 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 8.841 6.567 -3.699 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 9.602 6.089 0.501 1.00 10.00 H new ATOM 0 HH2 TRP A 22 9.674 7.483 -1.549 1.00 10.00 H new ATOM 373 N LEU A 23 9.385 0.833 1.046 1.00 10.00 N ATOM 374 CA LEU A 23 10.366 1.267 2.090 1.00 10.00 C ATOM 375 C LEU A 23 11.604 0.358 2.073 1.00 10.00 C ATOM 376 O LEU A 23 12.722 0.830 2.145 1.00 10.00 O ATOM 377 CB LEU A 23 9.622 1.137 3.425 1.00 10.00 C ATOM 378 CG LEU A 23 9.156 2.520 3.892 1.00 10.00 C ATOM 379 CD1 LEU A 23 7.799 2.843 3.264 1.00 10.00 C ATOM 380 CD2 LEU A 23 9.024 2.526 5.417 1.00 10.00 C ATOM 0 H LEU A 23 8.496 0.487 1.408 1.00 10.00 H new ATOM 0 HA LEU A 23 10.718 2.284 1.920 1.00 10.00 H new ATOM 0 HB2 LEU A 23 8.765 0.473 3.312 1.00 10.00 H new ATOM 0 HB3 LEU A 23 10.275 0.690 4.175 1.00 10.00 H new ATOM 0 HG LEU A 23 9.886 3.270 3.586 1.00 10.00 H new ATOM 0 HD11 LEU A 23 7.469 3.827 3.597 1.00 10.00 H new ATOM 0 HD12 LEU A 23 7.891 2.839 2.178 1.00 10.00 H new ATOM 0 HD13 LEU A 23 7.069 2.093 3.569 1.00 10.00 H new ATOM 0 HD21 LEU A 23 8.693 3.510 5.750 1.00 10.00 H new ATOM 0 HD22 LEU A 23 8.295 1.775 5.722 1.00 10.00 H new ATOM 0 HD23 LEU A 23 9.990 2.297 5.867 1.00 10.00 H new ATOM 392 N LYS A 24 11.411 -0.939 1.973 1.00 10.00 N ATOM 393 CA LYS A 24 12.582 -1.874 1.946 1.00 10.00 C ATOM 394 C LYS A 24 13.384 -1.683 0.652 1.00 10.00 C ATOM 395 O LYS A 24 14.600 -1.705 0.659 1.00 10.00 O ATOM 396 CB LYS A 24 11.984 -3.282 2.004 1.00 10.00 C ATOM 397 CG LYS A 24 12.468 -3.991 3.272 1.00 10.00 C ATOM 398 CD LYS A 24 12.130 -5.486 3.194 1.00 10.00 C ATOM 399 CE LYS A 24 10.607 -5.682 3.132 1.00 10.00 C ATOM 400 NZ LYS A 24 10.072 -5.082 4.391 1.00 10.00 N ATOM 0 H LYS A 24 10.497 -1.387 1.909 1.00 10.00 H new ATOM 0 HA LYS A 24 13.266 -1.693 2.775 1.00 10.00 H new ATOM 0 HB2 LYS A 24 10.895 -3.227 1.999 1.00 10.00 H new ATOM 0 HB3 LYS A 24 12.279 -3.850 1.122 1.00 10.00 H new ATOM 0 HG2 LYS A 24 13.544 -3.858 3.386 1.00 10.00 H new ATOM 0 HG3 LYS A 24 11.997 -3.548 4.150 1.00 10.00 H new ATOM 0 HD2 LYS A 24 12.597 -5.927 2.313 1.00 10.00 H new ATOM 0 HD3 LYS A 24 12.536 -6.004 4.063 1.00 10.00 H new ATOM 0 HE2 LYS A 24 10.184 -5.193 2.254 1.00 10.00 H new ATOM 0 HE3 LYS A 24 10.351 -6.739 3.062 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 9.162 -5.526 4.628 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 10.747 -5.242 5.166 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 9.934 -4.060 4.257 1.00 10.00 H new ATOM 414 N ALA A 25 12.708 -1.493 -0.455 1.00 10.00 N ATOM 415 CA ALA A 25 13.422 -1.292 -1.755 1.00 10.00 C ATOM 416 C ALA A 25 14.202 0.032 -1.743 1.00 10.00 C ATOM 417 O ALA A 25 15.193 0.179 -2.432 1.00 10.00 O ATOM 418 CB ALA A 25 12.319 -1.251 -2.816 1.00 10.00 C ATOM 0 H ALA A 25 11.690 -1.468 -0.514 1.00 10.00 H new ATOM 0 HA ALA A 25 14.146 -2.084 -1.947 1.00 10.00 H new ATOM 0 HB1 ALA A 25 12.766 -1.106 -3.800 1.00 10.00 H new ATOM 0 HB2 ALA A 25 11.767 -2.191 -2.803 1.00 10.00 H new ATOM 0 HB3 ALA A 25 11.638 -0.427 -2.601 1.00 10.00 H new ATOM 424 N LYS A 26 13.762 0.995 -0.965 1.00 10.00 N ATOM 425 CA LYS A 26 14.477 2.309 -0.908 1.00 10.00 C ATOM 426 C LYS A 26 15.805 2.172 -0.149 1.00 10.00 C ATOM 427 O LYS A 26 16.797 2.774 -0.517 1.00 10.00 O ATOM 428 CB LYS A 26 13.526 3.250 -0.160 1.00 10.00 C ATOM 429 CG LYS A 26 13.824 4.699 -0.553 1.00 10.00 C ATOM 430 CD LYS A 26 12.650 5.592 -0.145 1.00 10.00 C ATOM 431 CE LYS A 26 13.144 6.691 0.802 1.00 10.00 C ATOM 432 NZ LYS A 26 11.914 7.414 1.235 1.00 10.00 N ATOM 0 H LYS A 26 12.938 0.926 -0.367 1.00 10.00 H new ATOM 0 HA LYS A 26 14.723 2.681 -1.903 1.00 10.00 H new ATOM 0 HB2 LYS A 26 12.492 3.003 -0.399 1.00 10.00 H new ATOM 0 HB3 LYS A 26 13.644 3.123 0.916 1.00 10.00 H new ATOM 0 HG2 LYS A 26 14.738 5.038 -0.066 1.00 10.00 H new ATOM 0 HG3 LYS A 26 13.991 4.768 -1.628 1.00 10.00 H new ATOM 0 HD2 LYS A 26 12.195 6.038 -1.029 1.00 10.00 H new ATOM 0 HD3 LYS A 26 11.880 4.996 0.344 1.00 10.00 H new ATOM 0 HE2 LYS A 26 13.673 6.267 1.656 1.00 10.00 H new ATOM 0 HE3 LYS A 26 13.839 7.363 0.298 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 12.115 8.432 1.302 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 11.156 7.256 0.541 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 11.612 7.059 2.165 1.00 10.00 H new ATOM 446 N LEU A 27 15.834 1.394 0.908 1.00 10.00 N ATOM 447 CA LEU A 27 17.104 1.230 1.684 1.00 10.00 C ATOM 448 C LEU A 27 17.315 -0.238 2.073 1.00 10.00 C ATOM 449 O LEU A 27 16.465 -0.859 2.686 1.00 10.00 O ATOM 450 CB LEU A 27 16.921 2.097 2.932 1.00 10.00 C ATOM 451 CG LEU A 27 18.270 2.282 3.635 1.00 10.00 C ATOM 452 CD1 LEU A 27 18.603 3.773 3.724 1.00 10.00 C ATOM 453 CD2 LEU A 27 18.198 1.694 5.046 1.00 10.00 C ATOM 0 H LEU A 27 15.036 0.868 1.265 1.00 10.00 H new ATOM 0 HA LEU A 27 17.978 1.526 1.104 1.00 10.00 H new ATOM 0 HB2 LEU A 27 16.508 3.067 2.655 1.00 10.00 H new ATOM 0 HB3 LEU A 27 16.208 1.629 3.610 1.00 10.00 H new ATOM 0 HG LEU A 27 19.045 1.769 3.065 1.00 10.00 H new ATOM 0 HD11 LEU A 27 19.563 3.902 4.224 1.00 10.00 H new ATOM 0 HD12 LEU A 27 18.657 4.194 2.720 1.00 10.00 H new ATOM 0 HD13 LEU A 27 17.826 4.286 4.291 1.00 10.00 H new ATOM 0 HD21 LEU A 27 19.158 1.826 5.545 1.00 10.00 H new ATOM 0 HD22 LEU A 27 17.421 2.205 5.614 1.00 10.00 H new ATOM 0 HD23 LEU A 27 17.964 0.631 4.986 1.00 10.00 H new ATOM 465 N MET A 28 18.451 -0.792 1.723 1.00 10.00 N ATOM 466 CA MET A 28 18.740 -2.218 2.067 1.00 10.00 C ATOM 467 C MET A 28 20.260 -2.440 2.166 1.00 10.00 C ATOM 468 O MET A 28 20.862 -3.024 1.284 1.00 10.00 O ATOM 469 CB MET A 28 18.141 -3.034 0.915 1.00 10.00 C ATOM 470 CG MET A 28 17.971 -4.492 1.348 1.00 10.00 C ATOM 471 SD MET A 28 16.292 -5.047 0.957 1.00 10.00 S ATOM 472 CE MET A 28 16.076 -6.141 2.383 1.00 10.00 C ATOM 0 H MET A 28 19.193 -0.314 1.211 1.00 10.00 H new ATOM 0 HA MET A 28 18.317 -2.509 3.028 1.00 10.00 H new ATOM 0 HB2 MET A 28 17.177 -2.617 0.624 1.00 10.00 H new ATOM 0 HB3 MET A 28 18.790 -2.978 0.041 1.00 10.00 H new ATOM 0 HG2 MET A 28 18.701 -5.121 0.839 1.00 10.00 H new ATOM 0 HG3 MET A 28 18.158 -4.589 2.418 1.00 10.00 H new ATOM 0 HE1 MET A 28 15.088 -6.600 2.343 1.00 10.00 H new ATOM 0 HE2 MET A 28 16.839 -6.920 2.363 1.00 10.00 H new ATOM 0 HE3 MET A 28 16.171 -5.563 3.302 1.00 10.00 H new ATOM 482 N PRO A 29 20.833 -1.955 3.245 1.00 10.00 N ATOM 483 CA PRO A 29 22.296 -2.099 3.462 1.00 10.00 C ATOM 484 C PRO A 29 22.652 -3.529 3.893 1.00 10.00 C ATOM 485 O PRO A 29 21.825 -4.422 3.866 1.00 10.00 O ATOM 486 CB PRO A 29 22.591 -1.106 4.583 1.00 10.00 C ATOM 487 CG PRO A 29 21.297 -0.944 5.320 1.00 10.00 C ATOM 488 CD PRO A 29 20.180 -1.238 4.349 1.00 10.00 C ATOM 0 HA PRO A 29 22.877 -1.908 2.560 1.00 10.00 H new ATOM 0 HB2 PRO A 29 23.375 -1.479 5.242 1.00 10.00 H new ATOM 0 HB3 PRO A 29 22.938 -0.153 4.183 1.00 10.00 H new ATOM 0 HG2 PRO A 29 21.253 -1.623 6.171 1.00 10.00 H new ATOM 0 HG3 PRO A 29 21.205 0.068 5.715 1.00 10.00 H new ATOM 0 HD2 PRO A 29 19.401 -1.845 4.811 1.00 10.00 H new ATOM 0 HD3 PRO A 29 19.705 -0.321 4.001 1.00 10.00 H new ATOM 496 N GLN A 30 23.880 -3.745 4.295 1.00 10.00 N ATOM 497 CA GLN A 30 24.305 -5.113 4.736 1.00 10.00 C ATOM 498 C GLN A 30 23.679 -5.458 6.093 1.00 10.00 C ATOM 499 O GLN A 30 23.362 -6.601 6.364 1.00 10.00 O ATOM 500 CB GLN A 30 25.831 -5.044 4.855 1.00 10.00 C ATOM 501 CG GLN A 30 26.465 -5.249 3.476 1.00 10.00 C ATOM 502 CD GLN A 30 26.508 -6.745 3.148 1.00 10.00 C ATOM 503 OE1 GLN A 30 25.664 -7.245 2.434 1.00 10.00 O ATOM 504 NE2 GLN A 30 27.464 -7.483 3.645 1.00 10.00 N ATOM 0 H GLN A 30 24.609 -3.033 4.337 1.00 10.00 H new ATOM 0 HA GLN A 30 23.985 -5.883 4.034 1.00 10.00 H new ATOM 0 HB2 GLN A 30 26.130 -4.079 5.264 1.00 10.00 H new ATOM 0 HB3 GLN A 30 26.187 -5.808 5.547 1.00 10.00 H new ATOM 0 HG2 GLN A 30 25.891 -4.716 2.718 1.00 10.00 H new ATOM 0 HG3 GLN A 30 27.473 -4.834 3.463 1.00 10.00 H new ATOM 0 HE21 GLN A 30 28.173 -7.062 4.245 1.00 10.00 H new ATOM 0 HE22 GLN A 30 27.501 -8.480 3.433 1.00 10.00 H new ATOM 513 N LEU A 31 23.501 -4.478 6.948 1.00 10.00 N ATOM 514 CA LEU A 31 22.895 -4.744 8.288 1.00 10.00 C ATOM 515 C LEU A 31 21.378 -4.512 8.242 1.00 10.00 C ATOM 516 O LEU A 31 20.966 -3.492 7.712 1.00 10.00 O ATOM 517 CB LEU A 31 23.567 -3.745 9.237 1.00 10.00 C ATOM 518 CG LEU A 31 23.360 -4.192 10.687 1.00 10.00 C ATOM 519 CD1 LEU A 31 24.604 -4.937 11.177 1.00 10.00 C ATOM 520 CD2 LEU A 31 23.122 -2.965 11.571 1.00 10.00 C ATOM 521 OXT LEU A 31 20.657 -5.360 8.737 1.00 10.00 O ATOM 0 H LEU A 31 23.750 -3.505 6.773 1.00 10.00 H new ATOM 0 HA LEU A 31 23.046 -5.774 8.611 1.00 10.00 H new ATOM 0 HB2 LEU A 31 24.632 -3.678 9.015 1.00 10.00 H new ATOM 0 HB3 LEU A 31 23.148 -2.750 9.090 1.00 10.00 H new ATOM 0 HG LEU A 31 22.496 -4.854 10.741 1.00 10.00 H new ATOM 0 HD11 LEU A 31 24.455 -5.254 12.209 1.00 10.00 H new ATOM 0 HD12 LEU A 31 24.775 -5.812 10.549 1.00 10.00 H new ATOM 0 HD13 LEU A 31 25.469 -4.276 11.122 1.00 10.00 H new ATOM 0 HD21 LEU A 31 22.975 -3.283 12.603 1.00 10.00 H new ATOM 0 HD22 LEU A 31 23.986 -2.303 11.515 1.00 10.00 H new ATOM 0 HD23 LEU A 31 22.235 -2.434 11.225 1.00 10.00 H new TER 533 LEU A 31