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+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 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 180:sc= 0.00596 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 171:sc= 0.0265 (180deg=0.0136) USER MOD Single : A 28 MET CE :methyl -108:sc= 0 (180deg=-0.133) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -18.573 7.683 4.791 1.00 10.00 N ATOM 2 CA SER A 1 -17.840 8.982 4.698 1.00 10.00 C ATOM 3 C SER A 1 -17.342 9.207 3.265 1.00 10.00 C ATOM 4 O SER A 1 -16.581 8.419 2.734 1.00 10.00 O ATOM 5 CB SER A 1 -16.658 8.847 5.662 1.00 10.00 C ATOM 6 OG SER A 1 -16.278 10.138 6.121 1.00 10.00 O ATOM 0 H1 SER A 1 -18.906 7.541 5.766 1.00 10.00 H new ATOM 0 H2 SER A 1 -19.388 7.698 4.146 1.00 10.00 H new ATOM 0 H3 SER A 1 -17.936 6.905 4.526 1.00 10.00 H new ATOM 0 HA SER A 1 -18.475 9.831 4.952 1.00 10.00 H new ATOM 0 HB2 SER A 1 -16.932 8.214 6.506 1.00 10.00 H new ATOM 0 HB3 SER A 1 -15.819 8.364 5.161 1.00 10.00 H new ATOM 0 HG SER A 1 -15.523 10.056 6.740 1.00 10.00 H new ATOM 14 N GLY A 2 -17.770 10.275 2.636 1.00 10.00 N ATOM 15 CA GLY A 2 -17.326 10.557 1.236 1.00 10.00 C ATOM 16 C GLY A 2 -18.108 9.679 0.251 1.00 10.00 C ATOM 17 O GLY A 2 -18.979 8.919 0.636 1.00 10.00 O ATOM 0 H GLY A 2 -18.409 10.964 3.033 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -17.483 11.610 1.001 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -16.258 10.364 1.139 1.00 10.00 H new ATOM 21 N SER A 3 -17.801 9.776 -1.019 1.00 10.00 N ATOM 22 CA SER A 3 -18.520 8.947 -2.038 1.00 10.00 C ATOM 23 C SER A 3 -17.548 8.009 -2.772 1.00 10.00 C ATOM 24 O SER A 3 -17.894 7.411 -3.773 1.00 10.00 O ATOM 25 CB SER A 3 -19.131 9.957 -3.011 1.00 10.00 C ATOM 26 OG SER A 3 -20.451 9.547 -3.346 1.00 10.00 O ATOM 0 H SER A 3 -17.082 10.394 -1.395 1.00 10.00 H new ATOM 0 HA SER A 3 -19.275 8.308 -1.580 1.00 10.00 H new ATOM 0 HB2 SER A 3 -19.149 10.949 -2.560 1.00 10.00 H new ATOM 0 HB3 SER A 3 -18.520 10.028 -3.911 1.00 10.00 H new ATOM 0 HG SER A 3 -20.846 10.193 -3.968 1.00 10.00 H new ATOM 32 N TRP A 4 -16.340 7.867 -2.280 1.00 10.00 N ATOM 33 CA TRP A 4 -15.355 6.960 -2.946 1.00 10.00 C ATOM 34 C TRP A 4 -14.590 6.149 -1.892 1.00 10.00 C ATOM 35 O TRP A 4 -13.392 5.961 -1.988 1.00 10.00 O ATOM 36 CB TRP A 4 -14.408 7.893 -3.709 1.00 10.00 C ATOM 37 CG TRP A 4 -13.989 7.238 -4.988 1.00 10.00 C ATOM 38 CD1 TRP A 4 -14.688 7.277 -6.145 1.00 10.00 C ATOM 39 CD2 TRP A 4 -12.794 6.449 -5.258 1.00 10.00 C ATOM 40 NE1 TRP A 4 -13.999 6.562 -7.108 1.00 10.00 N ATOM 41 CE2 TRP A 4 -12.826 6.032 -6.609 1.00 10.00 C ATOM 42 CE3 TRP A 4 -11.695 6.057 -4.470 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -11.805 5.254 -7.160 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -10.667 5.275 -5.020 1.00 10.00 C ATOM 45 CH2 TRP A 4 -10.722 4.874 -6.362 1.00 10.00 C ATOM 0 H TRP A 4 -15.995 8.341 -1.445 1.00 10.00 H new ATOM 0 HA TRP A 4 -15.834 6.241 -3.610 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -14.904 8.841 -3.918 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -13.533 8.119 -3.100 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -15.630 7.784 -6.293 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -14.318 6.441 -8.069 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -11.642 6.360 -3.435 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -11.852 4.948 -8.195 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -9.829 4.981 -4.406 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -9.928 4.272 -6.779 1.00 10.00 H new ATOM 56 N LEU A 5 -15.277 5.666 -0.888 1.00 10.00 N ATOM 57 CA LEU A 5 -14.595 4.862 0.175 1.00 10.00 C ATOM 58 C LEU A 5 -14.759 3.362 -0.100 1.00 10.00 C ATOM 59 O LEU A 5 -13.878 2.578 0.195 1.00 10.00 O ATOM 60 CB LEU A 5 -15.289 5.253 1.484 1.00 10.00 C ATOM 61 CG LEU A 5 -14.466 4.748 2.676 1.00 10.00 C ATOM 62 CD1 LEU A 5 -13.199 5.594 2.829 1.00 10.00 C ATOM 63 CD2 LEU A 5 -15.304 4.854 3.955 1.00 10.00 C ATOM 0 H LEU A 5 -16.281 5.793 -0.757 1.00 10.00 H new ATOM 0 HA LEU A 5 -13.523 5.058 0.212 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -15.400 6.336 1.539 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -16.292 4.828 1.516 1.00 10.00 H new ATOM 0 HG LEU A 5 -14.186 3.709 2.504 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -12.619 5.230 3.677 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -12.600 5.520 1.921 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -13.475 6.635 2.998 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -14.721 4.495 4.803 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -15.584 5.894 4.121 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -16.204 4.248 3.852 1.00 10.00 H new ATOM 75 N ARG A 6 -15.874 2.956 -0.664 1.00 10.00 N ATOM 76 CA ARG A 6 -16.085 1.502 -0.961 1.00 10.00 C ATOM 77 C ARG A 6 -15.026 0.993 -1.952 1.00 10.00 C ATOM 78 O ARG A 6 -14.729 -0.186 -1.996 1.00 10.00 O ATOM 79 CB ARG A 6 -17.485 1.411 -1.580 1.00 10.00 C ATOM 80 CG ARG A 6 -18.126 0.071 -1.204 1.00 10.00 C ATOM 81 CD ARG A 6 -18.531 -0.683 -2.475 1.00 10.00 C ATOM 82 NE ARG A 6 -17.841 -2.002 -2.381 1.00 10.00 N ATOM 83 CZ ARG A 6 -17.181 -2.470 -3.407 1.00 10.00 C ATOM 84 NH1 ARG A 6 -15.927 -2.139 -3.586 1.00 10.00 N ATOM 85 NH2 ARG A 6 -17.775 -3.274 -4.252 1.00 10.00 N ATOM 0 H ARG A 6 -16.645 3.568 -0.931 1.00 10.00 H new ATOM 0 HA ARG A 6 -15.997 0.890 -0.063 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -18.105 2.235 -1.225 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -17.421 1.504 -2.664 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -17.425 -0.528 -0.622 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -19.000 0.239 -0.575 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -19.612 -0.807 -2.532 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -18.225 -0.141 -3.370 1.00 10.00 H new ATOM 0 HE ARG A 6 -17.884 -2.539 -1.515 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -15.465 -1.515 -2.924 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -15.412 -2.505 -4.387 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -18.751 -3.534 -4.109 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -17.262 -3.641 -5.054 1.00 10.00 H new ATOM 99 N ASP A 7 -14.456 1.872 -2.744 1.00 10.00 N ATOM 100 CA ASP A 7 -13.416 1.444 -3.728 1.00 10.00 C ATOM 101 C ASP A 7 -12.012 1.720 -3.177 1.00 10.00 C ATOM 102 O ASP A 7 -11.083 0.978 -3.434 1.00 10.00 O ATOM 103 CB ASP A 7 -13.677 2.286 -4.980 1.00 10.00 C ATOM 104 CG ASP A 7 -13.001 1.630 -6.187 1.00 10.00 C ATOM 105 OD1 ASP A 7 -11.842 1.923 -6.425 1.00 10.00 O ATOM 106 OD2 ASP A 7 -13.655 0.844 -6.852 1.00 10.00 O ATOM 0 H ASP A 7 -14.669 2.870 -2.749 1.00 10.00 H new ATOM 0 HA ASP A 7 -13.468 0.376 -3.938 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -14.749 2.375 -5.154 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -13.292 3.296 -4.839 1.00 10.00 H new ATOM 111 N ILE A 8 -11.845 2.783 -2.422 1.00 10.00 N ATOM 112 CA ILE A 8 -10.494 3.099 -1.861 1.00 10.00 C ATOM 113 C ILE A 8 -10.128 2.120 -0.732 1.00 10.00 C ATOM 114 O ILE A 8 -8.965 1.875 -0.483 1.00 10.00 O ATOM 115 CB ILE A 8 -10.588 4.545 -1.341 1.00 10.00 C ATOM 116 CG1 ILE A 8 -9.187 5.166 -1.325 1.00 10.00 C ATOM 117 CG2 ILE A 8 -11.173 4.573 0.075 1.00 10.00 C ATOM 118 CD1 ILE A 8 -9.301 6.693 -1.305 1.00 10.00 C ATOM 0 H ILE A 8 -12.583 3.441 -2.172 1.00 10.00 H new ATOM 0 HA ILE A 8 -9.711 3.000 -2.613 1.00 10.00 H new ATOM 0 HB ILE A 8 -11.243 5.115 -2.000 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -8.636 4.821 -0.450 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -8.626 4.845 -2.203 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -11.231 5.604 0.424 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -12.172 4.136 0.065 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -10.533 3.999 0.745 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -8.303 7.132 -1.294 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -9.836 7.030 -2.193 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -9.845 7.006 -0.414 1.00 10.00 H new ATOM 130 N TRP A 9 -11.103 1.558 -0.051 1.00 10.00 N ATOM 131 CA TRP A 9 -10.791 0.598 1.058 1.00 10.00 C ATOM 132 C TRP A 9 -9.991 -0.596 0.520 1.00 10.00 C ATOM 133 O TRP A 9 -8.952 -0.943 1.051 1.00 10.00 O ATOM 134 CB TRP A 9 -12.149 0.140 1.599 1.00 10.00 C ATOM 135 CG TRP A 9 -12.061 -0.036 3.081 1.00 10.00 C ATOM 136 CD1 TRP A 9 -12.325 -1.187 3.745 1.00 10.00 C ATOM 137 CD2 TRP A 9 -11.688 0.943 4.095 1.00 10.00 C ATOM 138 NE1 TRP A 9 -12.136 -0.975 5.098 1.00 10.00 N ATOM 139 CE2 TRP A 9 -11.744 0.322 5.365 1.00 10.00 C ATOM 140 CE3 TRP A 9 -11.310 2.297 4.035 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -11.437 1.019 6.534 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -11.000 3.001 5.209 1.00 10.00 C ATOM 143 CH2 TRP A 9 -11.063 2.364 6.457 1.00 10.00 C ATOM 0 H TRP A 9 -12.096 1.722 -0.215 1.00 10.00 H new ATOM 0 HA TRP A 9 -10.185 1.060 1.837 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.916 0.874 1.354 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.443 -0.798 1.127 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -12.633 -2.118 3.292 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -12.270 -1.690 5.813 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -11.258 2.798 3.080 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -11.488 0.523 7.492 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -10.711 4.040 5.151 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -10.823 2.911 7.357 1.00 10.00 H new ATOM 154 N ASP A 10 -10.460 -1.212 -0.539 1.00 10.00 N ATOM 155 CA ASP A 10 -9.718 -2.374 -1.125 1.00 10.00 C ATOM 156 C ASP A 10 -8.338 -1.907 -1.611 1.00 10.00 C ATOM 157 O ASP A 10 -7.348 -2.598 -1.456 1.00 10.00 O ATOM 158 CB ASP A 10 -10.581 -2.854 -2.300 1.00 10.00 C ATOM 159 CG ASP A 10 -10.409 -4.366 -2.492 1.00 10.00 C ATOM 160 OD1 ASP A 10 -10.665 -5.101 -1.549 1.00 10.00 O ATOM 161 OD2 ASP A 10 -10.028 -4.764 -3.580 1.00 10.00 O ATOM 0 H ASP A 10 -11.323 -0.961 -1.022 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.552 -3.174 -0.404 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.629 -2.620 -2.112 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -10.295 -2.328 -3.211 1.00 10.00 H new ATOM 166 N TRP A 11 -8.269 -0.723 -2.177 1.00 10.00 N ATOM 167 CA TRP A 11 -6.959 -0.184 -2.655 1.00 10.00 C ATOM 168 C TRP A 11 -6.058 0.131 -1.451 1.00 10.00 C ATOM 169 O TRP A 11 -4.872 -0.139 -1.472 1.00 10.00 O ATOM 170 CB TRP A 11 -7.314 1.094 -3.422 1.00 10.00 C ATOM 171 CG TRP A 11 -6.076 1.689 -4.012 1.00 10.00 C ATOM 172 CD1 TRP A 11 -5.517 1.313 -5.184 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.236 2.754 -3.480 1.00 10.00 C ATOM 174 NE1 TRP A 11 -4.389 2.081 -5.408 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.174 2.984 -4.386 1.00 10.00 C ATOM 176 CE3 TRP A 11 -5.293 3.535 -2.313 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -3.202 3.955 -4.142 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -4.316 4.514 -2.064 1.00 10.00 C ATOM 179 CH2 TRP A 11 -3.273 4.723 -2.978 1.00 10.00 C ATOM 0 H TRP A 11 -9.068 -0.107 -2.328 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.416 -0.891 -3.283 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.032 0.869 -4.211 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -7.790 1.811 -2.753 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -5.890 0.539 -5.838 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -3.789 1.991 -6.228 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -6.092 3.382 -1.603 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -2.400 4.111 -4.849 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -4.369 5.109 -1.164 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -2.525 5.477 -2.782 1.00 10.00 H new ATOM 190 N ILE A 12 -6.620 0.683 -0.398 1.00 10.00 N ATOM 191 CA ILE A 12 -5.807 0.996 0.821 1.00 10.00 C ATOM 192 C ILE A 12 -5.135 -0.291 1.325 1.00 10.00 C ATOM 193 O ILE A 12 -3.994 -0.281 1.749 1.00 10.00 O ATOM 194 CB ILE A 12 -6.817 1.541 1.848 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.083 3.024 1.563 1.00 10.00 C ATOM 196 CG2 ILE A 12 -6.262 1.395 3.268 1.00 10.00 C ATOM 197 CD1 ILE A 12 -8.403 3.443 2.215 1.00 10.00 C ATOM 0 H ILE A 12 -7.607 0.930 -0.332 1.00 10.00 H new ATOM 0 HA ILE A 12 -5.013 1.718 0.632 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.744 0.973 1.766 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.265 3.632 1.951 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.126 3.196 0.488 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -6.986 1.784 3.984 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -6.074 0.342 3.479 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.330 1.954 3.354 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.591 4.497 2.012 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.217 2.844 1.806 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.343 3.286 3.292 1.00 10.00 H new ATOM 209 N CYS A 13 -5.835 -1.401 1.258 1.00 10.00 N ATOM 210 CA CYS A 13 -5.244 -2.700 1.706 1.00 10.00 C ATOM 211 C CYS A 13 -4.152 -3.135 0.719 1.00 10.00 C ATOM 212 O CYS A 13 -3.127 -3.665 1.109 1.00 10.00 O ATOM 213 CB CYS A 13 -6.409 -3.692 1.698 1.00 10.00 C ATOM 214 SG CYS A 13 -5.868 -5.269 2.405 1.00 10.00 S ATOM 0 H CYS A 13 -6.792 -1.461 0.911 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.782 -2.634 2.691 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -7.245 -3.292 2.272 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.765 -3.842 0.679 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.859 -6.110 2.399 1.00 10.00 H new ATOM 220 N GLU A 14 -4.358 -2.898 -0.556 1.00 10.00 N ATOM 221 CA GLU A 14 -3.333 -3.277 -1.574 1.00 10.00 C ATOM 222 C GLU A 14 -2.044 -2.488 -1.328 1.00 10.00 C ATOM 223 O GLU A 14 -0.956 -3.035 -1.327 1.00 10.00 O ATOM 224 CB GLU A 14 -3.949 -2.887 -2.921 1.00 10.00 C ATOM 225 CG GLU A 14 -4.510 -4.131 -3.617 1.00 10.00 C ATOM 226 CD GLU A 14 -5.820 -3.780 -4.333 1.00 10.00 C ATOM 227 OE1 GLU A 14 -5.851 -2.772 -5.025 1.00 10.00 O ATOM 228 OE2 GLU A 14 -6.770 -4.530 -4.182 1.00 10.00 O ATOM 0 H GLU A 14 -5.196 -2.456 -0.934 1.00 10.00 H new ATOM 0 HA GLU A 14 -3.078 -4.336 -1.536 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -4.743 -2.155 -2.770 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -3.196 -2.415 -3.552 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -3.785 -4.516 -4.334 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -4.685 -4.920 -2.886 1.00 10.00 H new ATOM 235 N VAL A 15 -2.170 -1.204 -1.107 1.00 10.00 N ATOM 236 CA VAL A 15 -0.967 -0.349 -0.848 1.00 10.00 C ATOM 237 C VAL A 15 -0.257 -0.799 0.440 1.00 10.00 C ATOM 238 O VAL A 15 0.938 -0.633 0.579 1.00 10.00 O ATOM 239 CB VAL A 15 -1.509 1.081 -0.703 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.374 2.031 -0.307 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.106 1.539 -2.037 1.00 10.00 C ATOM 0 H VAL A 15 -3.060 -0.706 -1.094 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.233 -0.421 -1.651 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.278 1.094 0.069 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -0.765 3.043 -0.206 1.00 10.00 H new ATOM 0 HG12 VAL A 15 0.054 1.711 0.643 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.398 2.016 -1.076 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.491 2.554 -1.934 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.334 1.520 -2.807 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -2.918 0.870 -2.321 1.00 10.00 H new ATOM 251 N LEU A 16 -0.982 -1.371 1.376 1.00 10.00 N ATOM 252 CA LEU A 16 -0.341 -1.838 2.645 1.00 10.00 C ATOM 253 C LEU A 16 0.746 -2.879 2.335 1.00 10.00 C ATOM 254 O LEU A 16 1.823 -2.848 2.901 1.00 10.00 O ATOM 255 CB LEU A 16 -1.475 -2.465 3.462 1.00 10.00 C ATOM 256 CG LEU A 16 -0.971 -2.807 4.868 1.00 10.00 C ATOM 257 CD1 LEU A 16 -1.330 -1.674 5.833 1.00 10.00 C ATOM 258 CD2 LEU A 16 -1.628 -4.106 5.343 1.00 10.00 C ATOM 0 H LEU A 16 -1.987 -1.533 1.314 1.00 10.00 H new ATOM 0 HA LEU A 16 0.143 -1.025 3.187 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.316 -1.774 3.525 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.838 -3.365 2.967 1.00 10.00 H new ATOM 0 HG LEU A 16 0.111 -2.932 4.843 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -0.971 -1.920 6.832 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -0.863 -0.748 5.497 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.412 -1.546 5.858 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -1.270 -4.350 6.343 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -2.710 -3.979 5.366 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -1.372 -4.915 4.659 1.00 10.00 H new ATOM 270 N SER A 17 0.476 -3.793 1.429 1.00 10.00 N ATOM 271 CA SER A 17 1.499 -4.824 1.072 1.00 10.00 C ATOM 272 C SER A 17 2.660 -4.165 0.318 1.00 10.00 C ATOM 273 O SER A 17 3.815 -4.483 0.539 1.00 10.00 O ATOM 274 CB SER A 17 0.771 -5.826 0.170 1.00 10.00 C ATOM 275 OG SER A 17 1.615 -6.948 -0.067 1.00 10.00 O ATOM 0 H SER A 17 -0.407 -3.867 0.924 1.00 10.00 H new ATOM 0 HA SER A 17 1.919 -5.310 1.952 1.00 10.00 H new ATOM 0 HB2 SER A 17 -0.158 -6.148 0.641 1.00 10.00 H new ATOM 0 HB3 SER A 17 0.502 -5.353 -0.775 1.00 10.00 H new ATOM 0 HG SER A 17 1.151 -7.591 -0.643 1.00 10.00 H new ATOM 281 N ASP A 18 2.358 -3.240 -0.564 1.00 10.00 N ATOM 282 CA ASP A 18 3.439 -2.548 -1.328 1.00 10.00 C ATOM 283 C ASP A 18 4.206 -1.586 -0.415 1.00 10.00 C ATOM 284 O ASP A 18 5.392 -1.413 -0.569 1.00 10.00 O ATOM 285 CB ASP A 18 2.724 -1.777 -2.445 1.00 10.00 C ATOM 286 CG ASP A 18 3.742 -0.932 -3.222 1.00 10.00 C ATOM 287 OD1 ASP A 18 4.612 -1.512 -3.853 1.00 10.00 O ATOM 288 OD2 ASP A 18 3.635 0.283 -3.171 1.00 10.00 O ATOM 0 H ASP A 18 1.410 -2.937 -0.785 1.00 10.00 H new ATOM 0 HA ASP A 18 4.167 -3.253 -1.729 1.00 10.00 H new ATOM 0 HB2 ASP A 18 2.225 -2.473 -3.119 1.00 10.00 H new ATOM 0 HB3 ASP A 18 1.952 -1.135 -2.021 1.00 10.00 H new ATOM 293 N PHE A 19 3.540 -0.960 0.530 1.00 10.00 N ATOM 294 CA PHE A 19 4.237 -0.005 1.457 1.00 10.00 C ATOM 295 C PHE A 19 5.548 -0.610 1.978 1.00 10.00 C ATOM 296 O PHE A 19 6.570 0.050 2.019 1.00 10.00 O ATOM 297 CB PHE A 19 3.259 0.215 2.616 1.00 10.00 C ATOM 298 CG PHE A 19 3.101 1.696 2.870 1.00 10.00 C ATOM 299 CD1 PHE A 19 4.167 2.433 3.400 1.00 10.00 C ATOM 300 CD2 PHE A 19 1.888 2.330 2.576 1.00 10.00 C ATOM 301 CE1 PHE A 19 4.021 3.805 3.635 1.00 10.00 C ATOM 302 CE2 PHE A 19 1.741 3.703 2.812 1.00 10.00 C ATOM 303 CZ PHE A 19 2.808 4.440 3.341 1.00 10.00 C ATOM 0 H PHE A 19 2.540 -1.070 0.700 1.00 10.00 H new ATOM 0 HA PHE A 19 4.498 0.926 0.954 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.292 -0.229 2.379 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.626 -0.281 3.514 1.00 10.00 H new ATOM 0 HD1 PHE A 19 5.102 1.943 3.628 1.00 10.00 H new ATOM 0 HD2 PHE A 19 1.066 1.761 2.167 1.00 10.00 H new ATOM 0 HE1 PHE A 19 4.844 4.374 4.043 1.00 10.00 H new ATOM 0 HE2 PHE A 19 0.805 4.193 2.586 1.00 10.00 H new ATOM 0 HZ PHE A 19 2.695 5.499 3.522 1.00 10.00 H new ATOM 313 N LYS A 20 5.523 -1.862 2.365 1.00 10.00 N ATOM 314 CA LYS A 20 6.766 -2.521 2.875 1.00 10.00 C ATOM 315 C LYS A 20 7.796 -2.658 1.742 1.00 10.00 C ATOM 316 O LYS A 20 8.973 -2.412 1.931 1.00 10.00 O ATOM 317 CB LYS A 20 6.315 -3.901 3.363 1.00 10.00 C ATOM 318 CG LYS A 20 7.483 -4.610 4.054 1.00 10.00 C ATOM 319 CD LYS A 20 7.127 -6.082 4.282 1.00 10.00 C ATOM 320 CE LYS A 20 7.067 -6.370 5.786 1.00 10.00 C ATOM 321 NZ LYS A 20 5.873 -7.246 5.972 1.00 10.00 N ATOM 0 H LYS A 20 4.694 -2.457 2.350 1.00 10.00 H new ATOM 0 HA LYS A 20 7.242 -1.946 3.669 1.00 10.00 H new ATOM 0 HB2 LYS A 20 5.479 -3.798 4.055 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.961 -4.497 2.522 1.00 10.00 H new ATOM 0 HG2 LYS A 20 8.382 -4.533 3.442 1.00 10.00 H new ATOM 0 HG3 LYS A 20 7.703 -4.127 5.006 1.00 10.00 H new ATOM 0 HD2 LYS A 20 6.167 -6.310 3.819 1.00 10.00 H new ATOM 0 HD3 LYS A 20 7.870 -6.724 3.808 1.00 10.00 H new ATOM 0 HE2 LYS A 20 7.976 -6.866 6.128 1.00 10.00 H new ATOM 0 HE3 LYS A 20 6.972 -5.448 6.360 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 5.770 -7.483 6.979 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 5.021 -6.746 5.645 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 5.994 -8.120 5.421 1.00 10.00 H new ATOM 335 N THR A 21 7.360 -3.046 0.567 1.00 10.00 N ATOM 336 CA THR A 21 8.306 -3.198 -0.584 1.00 10.00 C ATOM 337 C THR A 21 8.694 -1.819 -1.133 1.00 10.00 C ATOM 338 O THR A 21 9.840 -1.574 -1.448 1.00 10.00 O ATOM 339 CB THR A 21 7.539 -4.002 -1.643 1.00 10.00 C ATOM 340 OG1 THR A 21 6.774 -5.024 -1.012 1.00 10.00 O ATOM 341 CG2 THR A 21 8.529 -4.639 -2.621 1.00 10.00 C ATOM 0 H THR A 21 6.386 -3.265 0.355 1.00 10.00 H new ATOM 0 HA THR A 21 9.229 -3.699 -0.291 1.00 10.00 H new ATOM 0 HB THR A 21 6.871 -3.333 -2.185 1.00 10.00 H new ATOM 0 HG1 THR A 21 6.285 -5.533 -1.692 1.00 10.00 H new ATOM 0 HG21 THR A 21 7.983 -5.209 -3.372 1.00 10.00 H new ATOM 0 HG22 THR A 21 9.110 -3.858 -3.111 1.00 10.00 H new ATOM 0 HG23 THR A 21 9.200 -5.304 -2.078 1.00 10.00 H new ATOM 349 N TRP A 22 7.745 -0.924 -1.239 1.00 10.00 N ATOM 350 CA TRP A 22 8.036 0.450 -1.754 1.00 10.00 C ATOM 351 C TRP A 22 9.134 1.099 -0.908 1.00 10.00 C ATOM 352 O TRP A 22 10.103 1.621 -1.426 1.00 10.00 O ATOM 353 CB TRP A 22 6.718 1.212 -1.588 1.00 10.00 C ATOM 354 CG TRP A 22 6.654 2.345 -2.560 1.00 10.00 C ATOM 355 CD1 TRP A 22 6.279 2.240 -3.855 1.00 10.00 C ATOM 356 CD2 TRP A 22 6.959 3.751 -2.333 1.00 10.00 C ATOM 357 NE1 TRP A 22 6.337 3.493 -4.438 1.00 10.00 N ATOM 358 CE2 TRP A 22 6.751 4.458 -3.541 1.00 10.00 C ATOM 359 CE3 TRP A 22 7.394 4.473 -1.208 1.00 10.00 C ATOM 360 CZ2 TRP A 22 6.964 5.833 -3.628 1.00 10.00 C ATOM 361 CZ3 TRP A 22 7.610 5.858 -1.292 1.00 10.00 C ATOM 362 CH2 TRP A 22 7.395 6.537 -2.500 1.00 10.00 C ATOM 0 H TRP A 22 6.770 -1.088 -0.988 1.00 10.00 H new ATOM 0 HA TRP A 22 8.383 0.447 -2.787 1.00 10.00 H new ATOM 0 HB2 TRP A 22 5.877 0.538 -1.748 1.00 10.00 H new ATOM 0 HB3 TRP A 22 6.634 1.591 -0.570 1.00 10.00 H new ATOM 0 HD1 TRP A 22 5.983 1.328 -4.352 1.00 10.00 H new ATOM 0 HE1 TRP A 22 6.102 3.681 -5.413 1.00 10.00 H new ATOM 0 HE3 TRP A 22 7.563 3.959 -0.273 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 6.797 6.351 -4.561 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 7.944 6.403 -0.421 1.00 10.00 H new ATOM 0 HH2 TRP A 22 7.562 7.602 -2.559 1.00 10.00 H new ATOM 373 N LEU A 23 8.982 1.060 0.393 1.00 10.00 N ATOM 374 CA LEU A 23 10.009 1.666 1.297 1.00 10.00 C ATOM 375 C LEU A 23 11.347 0.925 1.165 1.00 10.00 C ATOM 376 O LEU A 23 12.398 1.534 1.179 1.00 10.00 O ATOM 377 CB LEU A 23 9.446 1.505 2.715 1.00 10.00 C ATOM 378 CG LEU A 23 8.513 2.676 3.039 1.00 10.00 C ATOM 379 CD1 LEU A 23 7.697 2.350 4.291 1.00 10.00 C ATOM 380 CD2 LEU A 23 9.343 3.938 3.292 1.00 10.00 C ATOM 0 H LEU A 23 8.188 0.633 0.870 1.00 10.00 H new ATOM 0 HA LEU A 23 10.200 2.710 1.051 1.00 10.00 H new ATOM 0 HB2 LEU A 23 8.904 0.563 2.796 1.00 10.00 H new ATOM 0 HB3 LEU A 23 10.261 1.467 3.438 1.00 10.00 H new ATOM 0 HG LEU A 23 7.840 2.843 2.198 1.00 10.00 H new ATOM 0 HD11 LEU A 23 7.034 3.184 4.520 1.00 10.00 H new ATOM 0 HD12 LEU A 23 7.104 1.452 4.115 1.00 10.00 H new ATOM 0 HD13 LEU A 23 8.371 2.181 5.131 1.00 10.00 H new ATOM 0 HD21 LEU A 23 8.678 4.771 3.522 1.00 10.00 H new ATOM 0 HD22 LEU A 23 10.017 3.768 4.132 1.00 10.00 H new ATOM 0 HD23 LEU A 23 9.926 4.175 2.402 1.00 10.00 H new ATOM 392 N LYS A 24 11.317 -0.381 1.032 1.00 10.00 N ATOM 393 CA LYS A 24 12.594 -1.152 0.894 1.00 10.00 C ATOM 394 C LYS A 24 13.211 -0.910 -0.490 1.00 10.00 C ATOM 395 O LYS A 24 14.407 -0.728 -0.620 1.00 10.00 O ATOM 396 CB LYS A 24 12.195 -2.621 1.054 1.00 10.00 C ATOM 397 CG LYS A 24 13.432 -3.459 1.383 1.00 10.00 C ATOM 398 CD LYS A 24 12.998 -4.778 2.025 1.00 10.00 C ATOM 399 CE LYS A 24 14.227 -5.521 2.557 1.00 10.00 C ATOM 400 NZ LYS A 24 13.700 -6.451 3.597 1.00 10.00 N ATOM 0 H LYS A 24 10.467 -0.944 1.013 1.00 10.00 H new ATOM 0 HA LYS A 24 13.338 -0.851 1.632 1.00 10.00 H new ATOM 0 HB2 LYS A 24 11.454 -2.722 1.847 1.00 10.00 H new ATOM 0 HB3 LYS A 24 11.732 -2.984 0.137 1.00 10.00 H new ATOM 0 HG2 LYS A 24 14.004 -3.655 0.476 1.00 10.00 H new ATOM 0 HG3 LYS A 24 14.086 -2.910 2.060 1.00 10.00 H new ATOM 0 HD2 LYS A 24 12.298 -4.585 2.838 1.00 10.00 H new ATOM 0 HD3 LYS A 24 12.476 -5.395 1.294 1.00 10.00 H new ATOM 0 HE2 LYS A 24 14.733 -6.067 1.760 1.00 10.00 H new ATOM 0 HE3 LYS A 24 14.954 -4.828 2.980 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 14.486 -6.995 4.007 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 13.230 -5.904 4.346 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 13.016 -7.104 3.164 1.00 10.00 H new ATOM 414 N ALA A 25 12.401 -0.904 -1.521 1.00 10.00 N ATOM 415 CA ALA A 25 12.927 -0.671 -2.902 1.00 10.00 C ATOM 416 C ALA A 25 13.519 0.741 -3.026 1.00 10.00 C ATOM 417 O ALA A 25 14.439 0.966 -3.788 1.00 10.00 O ATOM 418 CB ALA A 25 11.713 -0.824 -3.822 1.00 10.00 C ATOM 0 H ALA A 25 11.393 -1.051 -1.464 1.00 10.00 H new ATOM 0 HA ALA A 25 13.725 -1.369 -3.156 1.00 10.00 H new ATOM 0 HB1 ALA A 25 12.018 -0.667 -4.856 1.00 10.00 H new ATOM 0 HB2 ALA A 25 11.299 -1.826 -3.714 1.00 10.00 H new ATOM 0 HB3 ALA A 25 10.956 -0.088 -3.551 1.00 10.00 H new ATOM 424 N LYS A 26 12.999 1.692 -2.286 1.00 10.00 N ATOM 425 CA LYS A 26 13.535 3.086 -2.367 1.00 10.00 C ATOM 426 C LYS A 26 14.637 3.297 -1.321 1.00 10.00 C ATOM 427 O LYS A 26 15.696 3.811 -1.625 1.00 10.00 O ATOM 428 CB LYS A 26 12.338 3.997 -2.079 1.00 10.00 C ATOM 429 CG LYS A 26 11.577 4.267 -3.380 1.00 10.00 C ATOM 430 CD LYS A 26 10.463 5.283 -3.120 1.00 10.00 C ATOM 431 CE LYS A 26 10.905 6.669 -3.604 1.00 10.00 C ATOM 432 NZ LYS A 26 10.218 6.866 -4.914 1.00 10.00 N ATOM 0 H LYS A 26 12.228 1.562 -1.631 1.00 10.00 H new ATOM 0 HA LYS A 26 13.979 3.296 -3.340 1.00 10.00 H new ATOM 0 HB2 LYS A 26 11.678 3.528 -1.350 1.00 10.00 H new ATOM 0 HB3 LYS A 26 12.679 4.936 -1.643 1.00 10.00 H new ATOM 0 HG2 LYS A 26 12.259 4.647 -4.140 1.00 10.00 H new ATOM 0 HG3 LYS A 26 11.154 3.339 -3.766 1.00 10.00 H new ATOM 0 HD2 LYS A 26 9.553 4.980 -3.637 1.00 10.00 H new ATOM 0 HD3 LYS A 26 10.229 5.316 -2.056 1.00 10.00 H new ATOM 0 HE2 LYS A 26 10.622 7.443 -2.891 1.00 10.00 H new ATOM 0 HE3 LYS A 26 11.988 6.720 -3.716 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 10.350 7.848 -5.231 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 10.622 6.217 -5.619 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 9.202 6.671 -4.806 1.00 10.00 H new ATOM 446 N LEU A 27 14.394 2.907 -0.093 1.00 10.00 N ATOM 447 CA LEU A 27 15.427 3.087 0.972 1.00 10.00 C ATOM 448 C LEU A 27 16.316 1.842 1.063 1.00 10.00 C ATOM 449 O LEU A 27 16.046 0.922 1.814 1.00 10.00 O ATOM 450 CB LEU A 27 14.637 3.290 2.265 1.00 10.00 C ATOM 451 CG LEU A 27 15.497 4.043 3.285 1.00 10.00 C ATOM 452 CD1 LEU A 27 14.697 5.214 3.860 1.00 10.00 C ATOM 453 CD2 LEU A 27 15.895 3.093 4.418 1.00 10.00 C ATOM 0 H LEU A 27 13.525 2.472 0.217 1.00 10.00 H new ATOM 0 HA LEU A 27 16.088 3.930 0.769 1.00 10.00 H new ATOM 0 HB2 LEU A 27 13.725 3.850 2.061 1.00 10.00 H new ATOM 0 HB3 LEU A 27 14.334 2.325 2.672 1.00 10.00 H new ATOM 0 HG LEU A 27 16.395 4.421 2.795 1.00 10.00 H new ATOM 0 HD11 LEU A 27 15.308 5.750 4.586 1.00 10.00 H new ATOM 0 HD12 LEU A 27 14.413 5.891 3.054 1.00 10.00 H new ATOM 0 HD13 LEU A 27 13.800 4.836 4.350 1.00 10.00 H new ATOM 0 HD21 LEU A 27 16.507 3.629 5.144 1.00 10.00 H new ATOM 0 HD22 LEU A 27 14.998 2.715 4.908 1.00 10.00 H new ATOM 0 HD23 LEU A 27 16.464 2.258 4.010 1.00 10.00 H new ATOM 465 N MET A 28 17.372 1.816 0.297 1.00 10.00 N ATOM 466 CA MET A 28 18.300 0.644 0.317 1.00 10.00 C ATOM 467 C MET A 28 19.728 1.111 0.641 1.00 10.00 C ATOM 468 O MET A 28 20.413 1.643 -0.215 1.00 10.00 O ATOM 469 CB MET A 28 18.226 0.052 -1.094 1.00 10.00 C ATOM 470 CG MET A 28 17.534 -1.312 -1.044 1.00 10.00 C ATOM 471 SD MET A 28 18.680 -2.551 -0.388 1.00 10.00 S ATOM 472 CE MET A 28 19.565 -2.882 -1.932 1.00 10.00 C ATOM 0 H MET A 28 17.636 2.561 -0.348 1.00 10.00 H new ATOM 0 HA MET A 28 18.028 -0.091 1.075 1.00 10.00 H new ATOM 0 HB2 MET A 28 17.678 0.725 -1.753 1.00 10.00 H new ATOM 0 HB3 MET A 28 19.229 -0.053 -1.508 1.00 10.00 H new ATOM 0 HG2 MET A 28 16.644 -1.257 -0.417 1.00 10.00 H new ATOM 0 HG3 MET A 28 17.203 -1.600 -2.042 1.00 10.00 H new ATOM 0 HE1 MET A 28 19.286 -3.866 -2.308 1.00 10.00 H new ATOM 0 HE2 MET A 28 19.304 -2.124 -2.671 1.00 10.00 H new ATOM 0 HE3 MET A 28 20.639 -2.855 -1.749 1.00 10.00 H new ATOM 482 N PRO A 29 20.132 0.901 1.873 1.00 10.00 N ATOM 483 CA PRO A 29 21.491 1.313 2.310 1.00 10.00 C ATOM 484 C PRO A 29 22.565 0.392 1.720 1.00 10.00 C ATOM 485 O PRO A 29 22.270 -0.607 1.090 1.00 10.00 O ATOM 486 CB PRO A 29 21.439 1.182 3.829 1.00 10.00 C ATOM 487 CG PRO A 29 20.359 0.182 4.099 1.00 10.00 C ATOM 488 CD PRO A 29 19.372 0.271 2.963 1.00 10.00 C ATOM 0 HA PRO A 29 21.750 2.319 1.980 1.00 10.00 H new ATOM 0 HB2 PRO A 29 22.396 0.846 4.228 1.00 10.00 H new ATOM 0 HB3 PRO A 29 21.216 2.140 4.300 1.00 10.00 H new ATOM 0 HG2 PRO A 29 20.775 -0.823 4.169 1.00 10.00 H new ATOM 0 HG3 PRO A 29 19.870 0.392 5.050 1.00 10.00 H new ATOM 0 HD2 PRO A 29 19.006 -0.715 2.675 1.00 10.00 H new ATOM 0 HD3 PRO A 29 18.501 0.867 3.238 1.00 10.00 H new ATOM 496 N GLN A 30 23.812 0.729 1.930 1.00 10.00 N ATOM 497 CA GLN A 30 24.926 -0.111 1.392 1.00 10.00 C ATOM 498 C GLN A 30 25.565 -0.932 2.520 1.00 10.00 C ATOM 499 O GLN A 30 25.334 -0.681 3.689 1.00 10.00 O ATOM 500 CB GLN A 30 25.935 0.887 0.814 1.00 10.00 C ATOM 501 CG GLN A 30 25.351 1.540 -0.445 1.00 10.00 C ATOM 502 CD GLN A 30 26.418 2.412 -1.112 1.00 10.00 C ATOM 503 OE1 GLN A 30 27.174 1.942 -1.938 1.00 10.00 O ATOM 504 NE2 GLN A 30 26.514 3.674 -0.787 1.00 10.00 N ATOM 0 H GLN A 30 24.108 1.553 2.453 1.00 10.00 H new ATOM 0 HA GLN A 30 24.581 -0.821 0.641 1.00 10.00 H new ATOM 0 HB2 GLN A 30 26.172 1.650 1.555 1.00 10.00 H new ATOM 0 HB3 GLN A 30 26.868 0.377 0.572 1.00 10.00 H new ATOM 0 HG2 GLN A 30 25.008 0.773 -1.139 1.00 10.00 H new ATOM 0 HG3 GLN A 30 24.483 2.145 -0.184 1.00 10.00 H new ATOM 0 HE21 GLN A 30 25.880 4.072 -0.094 1.00 10.00 H new ATOM 0 HE22 GLN A 30 27.222 4.261 -1.227 1.00 10.00 H new ATOM 513 N LEU A 31 26.364 -1.912 2.176 1.00 10.00 N ATOM 514 CA LEU A 31 27.022 -2.757 3.224 1.00 10.00 C ATOM 515 C LEU A 31 28.325 -3.377 2.692 1.00 10.00 C ATOM 516 O LEU A 31 29.185 -3.678 3.503 1.00 10.00 O ATOM 517 CB LEU A 31 25.999 -3.850 3.566 1.00 10.00 C ATOM 518 CG LEU A 31 25.608 -4.628 2.302 1.00 10.00 C ATOM 519 CD1 LEU A 31 25.839 -6.123 2.529 1.00 10.00 C ATOM 520 CD2 LEU A 31 24.129 -4.384 1.989 1.00 10.00 C ATOM 521 OXT LEU A 31 28.441 -3.541 1.486 1.00 10.00 O ATOM 0 H LEU A 31 26.590 -2.165 1.214 1.00 10.00 H new ATOM 0 HA LEU A 31 27.297 -2.170 4.100 1.00 10.00 H new ATOM 0 HB2 LEU A 31 26.419 -4.532 4.306 1.00 10.00 H new ATOM 0 HB3 LEU A 31 25.112 -3.401 4.014 1.00 10.00 H new ATOM 0 HG LEU A 31 26.219 -4.289 1.465 1.00 10.00 H new ATOM 0 HD11 LEU A 31 25.561 -6.675 1.631 1.00 10.00 H new ATOM 0 HD12 LEU A 31 26.891 -6.299 2.752 1.00 10.00 H new ATOM 0 HD13 LEU A 31 25.229 -6.462 3.366 1.00 10.00 H new ATOM 0 HD21 LEU A 31 23.851 -4.936 1.091 1.00 10.00 H new ATOM 0 HD22 LEU A 31 23.519 -4.722 2.827 1.00 10.00 H new ATOM 0 HD23 LEU A 31 23.962 -3.319 1.826 1.00 10.00 H new TER 533 LEU A 31