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+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 40:sc= 0.429 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 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 150:sc= -0.25 (180deg=-0.691) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -16.277 1.744 -16.054 1.00 10.00 N ATOM 2 CA SER A 1 -16.988 1.198 -14.858 1.00 10.00 C ATOM 3 C SER A 1 -16.013 1.040 -13.682 1.00 10.00 C ATOM 4 O SER A 1 -14.815 0.931 -13.869 1.00 10.00 O ATOM 5 CB SER A 1 -17.524 -0.167 -15.295 1.00 10.00 C ATOM 6 OG SER A 1 -18.793 -0.386 -14.692 1.00 10.00 O ATOM 0 H1 SER A 1 -16.949 1.845 -16.841 1.00 10.00 H new ATOM 0 H2 SER A 1 -15.872 2.674 -15.823 1.00 10.00 H new ATOM 0 H3 SER A 1 -15.514 1.094 -16.331 1.00 10.00 H new ATOM 0 HA SER A 1 -17.787 1.859 -14.522 1.00 10.00 H new ATOM 0 HB2 SER A 1 -17.612 -0.206 -16.381 1.00 10.00 H new ATOM 0 HB3 SER A 1 -16.829 -0.954 -15.004 1.00 10.00 H new ATOM 0 HG SER A 1 -19.141 -1.259 -14.970 1.00 10.00 H new ATOM 14 N GLY A 2 -16.521 1.026 -12.475 1.00 10.00 N ATOM 15 CA GLY A 2 -15.632 0.876 -11.282 1.00 10.00 C ATOM 16 C GLY A 2 -16.432 1.141 -10.003 1.00 10.00 C ATOM 17 O GLY A 2 -17.387 1.896 -10.004 1.00 10.00 O ATOM 0 H GLY A 2 -17.515 1.112 -12.264 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -15.209 -0.128 -11.256 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -14.796 1.572 -11.350 1.00 10.00 H new ATOM 21 N SER A 3 -16.046 0.529 -8.912 1.00 10.00 N ATOM 22 CA SER A 3 -16.780 0.743 -7.624 1.00 10.00 C ATOM 23 C SER A 3 -16.236 1.983 -6.900 1.00 10.00 C ATOM 24 O SER A 3 -15.243 2.561 -7.299 1.00 10.00 O ATOM 25 CB SER A 3 -16.534 -0.524 -6.794 1.00 10.00 C ATOM 26 OG SER A 3 -15.211 -1.000 -7.019 1.00 10.00 O ATOM 0 H SER A 3 -15.253 -0.111 -8.856 1.00 10.00 H new ATOM 0 HA SER A 3 -17.844 0.914 -7.786 1.00 10.00 H new ATOM 0 HB2 SER A 3 -16.678 -0.309 -5.735 1.00 10.00 H new ATOM 0 HB3 SER A 3 -17.258 -1.293 -7.064 1.00 10.00 H new ATOM 0 HG SER A 3 -14.593 -0.241 -7.062 1.00 10.00 H new ATOM 32 N TRP A 4 -16.889 2.398 -5.841 1.00 10.00 N ATOM 33 CA TRP A 4 -16.422 3.604 -5.089 1.00 10.00 C ATOM 34 C TRP A 4 -16.045 3.221 -3.652 1.00 10.00 C ATOM 35 O TRP A 4 -14.920 3.409 -3.228 1.00 10.00 O ATOM 36 CB TRP A 4 -17.615 4.566 -5.102 1.00 10.00 C ATOM 37 CG TRP A 4 -17.142 5.948 -5.422 1.00 10.00 C ATOM 38 CD1 TRP A 4 -17.088 6.483 -6.664 1.00 10.00 C ATOM 39 CD2 TRP A 4 -16.661 6.977 -4.511 1.00 10.00 C ATOM 40 NE1 TRP A 4 -16.604 7.775 -6.573 1.00 10.00 N ATOM 41 CE2 TRP A 4 -16.325 8.126 -5.265 1.00 10.00 C ATOM 42 CE3 TRP A 4 -16.484 7.024 -3.116 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -15.832 9.281 -4.658 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -15.988 8.186 -2.502 1.00 10.00 C ATOM 45 CH2 TRP A 4 -15.662 9.311 -3.271 1.00 10.00 C ATOM 0 H TRP A 4 -17.726 1.953 -5.465 1.00 10.00 H new ATOM 0 HA TRP A 4 -15.535 4.053 -5.536 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -18.348 4.242 -5.840 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -18.113 4.557 -4.133 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -17.376 5.983 -7.577 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -16.469 8.393 -7.373 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -16.731 6.162 -2.514 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -15.583 10.146 -5.255 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -15.857 8.212 -1.430 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -15.280 10.201 -2.792 1.00 10.00 H new ATOM 56 N LEU A 5 -16.977 2.680 -2.901 1.00 10.00 N ATOM 57 CA LEU A 5 -16.672 2.279 -1.491 1.00 10.00 C ATOM 58 C LEU A 5 -15.642 1.144 -1.479 1.00 10.00 C ATOM 59 O LEU A 5 -14.603 1.250 -0.856 1.00 10.00 O ATOM 60 CB LEU A 5 -18.004 1.807 -0.901 1.00 10.00 C ATOM 61 CG LEU A 5 -18.658 2.952 -0.124 1.00 10.00 C ATOM 62 CD1 LEU A 5 -20.158 2.685 0.019 1.00 10.00 C ATOM 63 CD2 LEU A 5 -18.024 3.054 1.267 1.00 10.00 C ATOM 0 H LEU A 5 -17.934 2.500 -3.204 1.00 10.00 H new ATOM 0 HA LEU A 5 -16.249 3.101 -0.913 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -18.667 1.470 -1.698 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -17.839 0.955 -0.242 1.00 10.00 H new ATOM 0 HG LEU A 5 -18.506 3.887 -0.663 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -20.622 3.501 0.573 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -20.611 2.614 -0.970 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -20.311 1.749 0.556 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -18.490 3.869 1.820 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -18.174 2.118 1.805 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -16.956 3.247 1.167 1.00 10.00 H new ATOM 75 N ARG A 6 -15.920 0.068 -2.178 1.00 10.00 N ATOM 76 CA ARG A 6 -14.953 -1.075 -2.228 1.00 10.00 C ATOM 77 C ARG A 6 -13.610 -0.606 -2.806 1.00 10.00 C ATOM 78 O ARG A 6 -12.558 -1.057 -2.396 1.00 10.00 O ATOM 79 CB ARG A 6 -15.612 -2.110 -3.151 1.00 10.00 C ATOM 80 CG ARG A 6 -14.618 -3.228 -3.481 1.00 10.00 C ATOM 81 CD ARG A 6 -15.338 -4.578 -3.458 1.00 10.00 C ATOM 82 NE ARG A 6 -15.220 -5.055 -2.050 1.00 10.00 N ATOM 83 CZ ARG A 6 -14.864 -6.287 -1.806 1.00 10.00 C ATOM 84 NH1 ARG A 6 -13.598 -6.612 -1.809 1.00 10.00 N ATOM 85 NH2 ARG A 6 -15.775 -7.191 -1.560 1.00 10.00 N ATOM 0 H ARG A 6 -16.776 -0.068 -2.716 1.00 10.00 H new ATOM 0 HA ARG A 6 -14.744 -1.487 -1.241 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -16.495 -2.529 -2.669 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -15.948 -1.628 -4.069 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -14.176 -3.057 -4.462 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -13.802 -3.227 -2.759 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -16.382 -4.473 -3.753 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -14.879 -5.282 -4.153 1.00 10.00 H new ATOM 0 HE ARG A 6 -15.417 -4.419 -1.278 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -12.890 -5.903 -2.002 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -13.318 -7.574 -1.619 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -16.762 -6.933 -1.559 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -15.499 -8.154 -1.369 1.00 10.00 H new ATOM 99 N ASP A 7 -13.646 0.303 -3.752 1.00 10.00 N ATOM 100 CA ASP A 7 -12.382 0.821 -4.365 1.00 10.00 C ATOM 101 C ASP A 7 -11.524 1.524 -3.305 1.00 10.00 C ATOM 102 O ASP A 7 -10.323 1.336 -3.248 1.00 10.00 O ATOM 103 CB ASP A 7 -12.839 1.819 -5.436 1.00 10.00 C ATOM 104 CG ASP A 7 -12.203 1.460 -6.780 1.00 10.00 C ATOM 105 OD1 ASP A 7 -12.684 0.534 -7.412 1.00 10.00 O ATOM 106 OD2 ASP A 7 -11.247 2.117 -7.155 1.00 10.00 O ATOM 0 H ASP A 7 -14.502 0.710 -4.128 1.00 10.00 H new ATOM 0 HA ASP A 7 -11.772 0.022 -4.786 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -13.926 1.804 -5.521 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -12.556 2.831 -5.148 1.00 10.00 H new ATOM 111 N ILE A 8 -12.131 2.328 -2.464 1.00 10.00 N ATOM 112 CA ILE A 8 -11.350 3.042 -1.403 1.00 10.00 C ATOM 113 C ILE A 8 -10.812 2.037 -0.372 1.00 10.00 C ATOM 114 O ILE A 8 -9.638 2.035 -0.054 1.00 10.00 O ATOM 115 CB ILE A 8 -12.346 4.013 -0.750 1.00 10.00 C ATOM 116 CG1 ILE A 8 -12.543 5.231 -1.661 1.00 10.00 C ATOM 117 CG2 ILE A 8 -11.806 4.480 0.609 1.00 10.00 C ATOM 118 CD1 ILE A 8 -13.704 6.084 -1.140 1.00 10.00 C ATOM 0 H ILE A 8 -13.133 2.521 -2.466 1.00 10.00 H new ATOM 0 HA ILE A 8 -10.487 3.567 -1.812 1.00 10.00 H new ATOM 0 HB ILE A 8 -13.298 3.503 -0.604 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -11.629 5.824 -1.693 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -12.748 4.905 -2.681 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -12.517 5.168 1.066 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -11.665 3.618 1.261 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -10.851 4.987 0.467 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -13.841 6.948 -1.790 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -14.617 5.489 -1.131 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -13.481 6.423 -0.128 1.00 10.00 H new ATOM 130 N TRP A 9 -11.664 1.189 0.152 1.00 10.00 N ATOM 131 CA TRP A 9 -11.208 0.184 1.169 1.00 10.00 C ATOM 132 C TRP A 9 -10.135 -0.735 0.571 1.00 10.00 C ATOM 133 O TRP A 9 -9.108 -0.978 1.178 1.00 10.00 O ATOM 134 CB TRP A 9 -12.457 -0.627 1.534 1.00 10.00 C ATOM 135 CG TRP A 9 -13.419 0.230 2.299 1.00 10.00 C ATOM 136 CD1 TRP A 9 -14.741 0.339 2.029 1.00 10.00 C ATOM 137 CD2 TRP A 9 -13.164 1.093 3.448 1.00 10.00 C ATOM 138 NE1 TRP A 9 -15.312 1.213 2.936 1.00 10.00 N ATOM 139 CE2 TRP A 9 -14.383 1.704 3.830 1.00 10.00 C ATOM 140 CE3 TRP A 9 -12.008 1.403 4.186 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -14.450 2.589 4.905 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -12.073 2.294 5.270 1.00 10.00 C ATOM 143 CH2 TRP A 9 -13.292 2.886 5.628 1.00 10.00 C ATOM 0 H TRP A 9 -12.657 1.148 -0.080 1.00 10.00 H new ATOM 0 HA TRP A 9 -10.767 0.666 2.042 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.933 -1.004 0.629 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.176 -1.494 2.131 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -15.264 -0.173 1.235 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -16.301 1.464 2.943 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -11.064 0.953 3.918 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -15.392 3.042 5.177 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -11.179 2.524 5.831 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -13.336 3.571 6.462 1.00 10.00 H new ATOM 154 N ASP A 10 -10.369 -1.244 -0.613 1.00 10.00 N ATOM 155 CA ASP A 10 -9.370 -2.150 -1.259 1.00 10.00 C ATOM 156 C ASP A 10 -8.061 -1.395 -1.531 1.00 10.00 C ATOM 157 O ASP A 10 -6.986 -1.907 -1.286 1.00 10.00 O ATOM 158 CB ASP A 10 -10.022 -2.600 -2.570 1.00 10.00 C ATOM 159 CG ASP A 10 -9.245 -3.783 -3.149 1.00 10.00 C ATOM 160 OD1 ASP A 10 -9.522 -4.903 -2.747 1.00 10.00 O ATOM 161 OD2 ASP A 10 -8.390 -3.550 -3.988 1.00 10.00 O ATOM 0 H ASP A 10 -11.211 -1.071 -1.161 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.115 -2.999 -0.624 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.059 -2.885 -2.393 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -10.035 -1.776 -3.283 1.00 10.00 H new ATOM 166 N TRP A 11 -8.142 -0.181 -2.026 1.00 10.00 N ATOM 167 CA TRP A 11 -6.895 0.602 -2.302 1.00 10.00 C ATOM 168 C TRP A 11 -6.122 0.843 -0.999 1.00 10.00 C ATOM 169 O TRP A 11 -4.907 0.772 -0.972 1.00 10.00 O ATOM 170 CB TRP A 11 -7.362 1.929 -2.907 1.00 10.00 C ATOM 171 CG TRP A 11 -6.169 2.722 -3.339 1.00 10.00 C ATOM 172 CD1 TRP A 11 -5.456 2.502 -4.468 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.535 3.850 -2.669 1.00 10.00 C ATOM 174 NE1 TRP A 11 -4.426 3.424 -4.533 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.434 4.277 -3.448 1.00 10.00 C ATOM 176 CE3 TRP A 11 -5.806 4.537 -1.471 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -3.630 5.349 -3.055 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -5.000 5.616 -1.073 1.00 10.00 C ATOM 179 CH2 TRP A 11 -3.915 6.020 -1.863 1.00 10.00 C ATOM 0 H TRP A 11 -9.014 0.299 -2.250 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.224 0.072 -2.978 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.017 1.743 -3.758 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -7.942 2.492 -2.175 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -5.658 1.733 -5.199 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -3.744 3.468 -5.290 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -6.639 4.233 -0.854 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -2.795 5.657 -3.667 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -5.218 6.138 -0.153 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -3.299 6.850 -1.550 1.00 10.00 H new ATOM 190 N ILE A 12 -6.815 1.112 0.085 1.00 10.00 N ATOM 191 CA ILE A 12 -6.112 1.336 1.388 1.00 10.00 C ATOM 192 C ILE A 12 -5.317 0.072 1.756 1.00 10.00 C ATOM 193 O ILE A 12 -4.215 0.146 2.268 1.00 10.00 O ATOM 194 CB ILE A 12 -7.225 1.610 2.411 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.787 3.018 2.190 1.00 10.00 C ATOM 196 CG2 ILE A 12 -6.665 1.513 3.835 1.00 10.00 C ATOM 197 CD1 ILE A 12 -9.168 3.128 2.843 1.00 10.00 C ATOM 0 H ILE A 12 -7.832 1.185 0.122 1.00 10.00 H new ATOM 0 HA ILE A 12 -5.405 2.165 1.351 1.00 10.00 H new ATOM 0 HB ILE A 12 -8.015 0.870 2.281 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -7.112 3.761 2.615 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.860 3.228 1.123 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.461 1.709 4.553 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -6.264 0.513 4.001 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.871 2.248 3.964 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -9.566 4.130 2.685 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.841 2.396 2.397 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -9.081 2.937 3.913 1.00 10.00 H new ATOM 209 N CYS A 13 -5.869 -1.086 1.474 1.00 10.00 N ATOM 210 CA CYS A 13 -5.153 -2.361 1.778 1.00 10.00 C ATOM 211 C CYS A 13 -3.960 -2.530 0.825 1.00 10.00 C ATOM 212 O CYS A 13 -2.929 -3.058 1.198 1.00 10.00 O ATOM 213 CB CYS A 13 -6.189 -3.466 1.548 1.00 10.00 C ATOM 214 SG CYS A 13 -5.598 -5.012 2.281 1.00 10.00 S ATOM 0 H CYS A 13 -6.787 -1.200 1.045 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.758 -2.384 2.794 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -7.143 -3.182 1.992 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.362 -3.600 0.480 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.479 -5.949 2.087 1.00 10.00 H new ATOM 220 N GLU A 14 -4.092 -2.077 -0.402 1.00 10.00 N ATOM 221 CA GLU A 14 -2.968 -2.199 -1.382 1.00 10.00 C ATOM 222 C GLU A 14 -1.819 -1.264 -0.983 1.00 10.00 C ATOM 223 O GLU A 14 -0.660 -1.631 -1.034 1.00 10.00 O ATOM 224 CB GLU A 14 -3.565 -1.777 -2.729 1.00 10.00 C ATOM 225 CG GLU A 14 -3.440 -2.928 -3.731 1.00 10.00 C ATOM 226 CD GLU A 14 -4.499 -2.769 -4.825 1.00 10.00 C ATOM 227 OE1 GLU A 14 -4.404 -1.817 -5.583 1.00 10.00 O ATOM 228 OE2 GLU A 14 -5.388 -3.603 -4.888 1.00 10.00 O ATOM 0 H GLU A 14 -4.933 -1.628 -0.765 1.00 10.00 H new ATOM 0 HA GLU A 14 -2.559 -3.209 -1.420 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -4.613 -1.503 -2.604 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -3.048 -0.895 -3.107 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -2.443 -2.933 -4.173 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -3.568 -3.883 -3.222 1.00 10.00 H new ATOM 235 N VAL A 15 -2.143 -0.062 -0.579 1.00 10.00 N ATOM 236 CA VAL A 15 -1.086 0.914 -0.161 1.00 10.00 C ATOM 237 C VAL A 15 -0.327 0.379 1.064 1.00 10.00 C ATOM 238 O VAL A 15 0.868 0.560 1.186 1.00 10.00 O ATOM 239 CB VAL A 15 -1.843 2.205 0.190 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.885 3.215 0.832 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.434 2.817 -1.084 1.00 10.00 C ATOM 0 H VAL A 15 -3.099 0.289 -0.520 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.347 1.082 -0.944 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.643 1.966 0.891 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -1.429 4.127 1.078 1.00 10.00 H new ATOM 0 HG12 VAL A 15 -0.462 2.788 1.742 1.00 10.00 H new ATOM 0 HG13 VAL A 15 -0.081 3.449 0.134 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.970 3.732 -0.833 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.630 3.047 -1.784 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.122 2.107 -1.543 1.00 10.00 H new ATOM 251 N LEU A 16 -1.015 -0.282 1.964 1.00 10.00 N ATOM 252 CA LEU A 16 -0.338 -0.835 3.179 1.00 10.00 C ATOM 253 C LEU A 16 0.653 -1.939 2.781 1.00 10.00 C ATOM 254 O LEU A 16 1.790 -1.945 3.214 1.00 10.00 O ATOM 255 CB LEU A 16 -1.470 -1.404 4.043 1.00 10.00 C ATOM 256 CG LEU A 16 -0.910 -1.859 5.396 1.00 10.00 C ATOM 257 CD1 LEU A 16 -1.892 -1.486 6.508 1.00 10.00 C ATOM 258 CD2 LEU A 16 -0.711 -3.378 5.381 1.00 10.00 C ATOM 0 H LEU A 16 -2.017 -0.462 1.909 1.00 10.00 H new ATOM 0 HA LEU A 16 0.236 -0.077 3.713 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.241 -0.648 4.193 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.942 -2.244 3.533 1.00 10.00 H new ATOM 0 HG LEU A 16 0.046 -1.368 5.576 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.493 -1.810 7.469 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -2.035 -0.405 6.520 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.849 -1.977 6.328 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -0.313 -3.702 6.342 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -1.667 -3.868 5.200 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -0.011 -3.645 4.590 1.00 10.00 H new ATOM 270 N SER A 17 0.232 -2.870 1.956 1.00 10.00 N ATOM 271 CA SER A 17 1.154 -3.969 1.526 1.00 10.00 C ATOM 272 C SER A 17 2.271 -3.403 0.640 1.00 10.00 C ATOM 273 O SER A 17 3.422 -3.783 0.760 1.00 10.00 O ATOM 274 CB SER A 17 0.283 -4.948 0.735 1.00 10.00 C ATOM 275 OG SER A 17 0.798 -6.266 0.893 1.00 10.00 O ATOM 0 H SER A 17 -0.708 -2.916 1.563 1.00 10.00 H new ATOM 0 HA SER A 17 1.634 -4.456 2.375 1.00 10.00 H new ATOM 0 HB2 SER A 17 -0.748 -4.903 1.087 1.00 10.00 H new ATOM 0 HB3 SER A 17 0.272 -4.673 -0.320 1.00 10.00 H new ATOM 0 HG SER A 17 0.242 -6.897 0.389 1.00 10.00 H new ATOM 281 N ASP A 18 1.938 -2.489 -0.240 1.00 10.00 N ATOM 282 CA ASP A 18 2.977 -1.886 -1.128 1.00 10.00 C ATOM 283 C ASP A 18 3.939 -1.026 -0.305 1.00 10.00 C ATOM 284 O ASP A 18 5.114 -0.975 -0.590 1.00 10.00 O ATOM 285 CB ASP A 18 2.205 -1.020 -2.129 1.00 10.00 C ATOM 286 CG ASP A 18 3.176 -0.419 -3.149 1.00 10.00 C ATOM 287 OD1 ASP A 18 3.691 0.657 -2.888 1.00 10.00 O ATOM 288 OD2 ASP A 18 3.385 -1.043 -4.177 1.00 10.00 O ATOM 0 H ASP A 18 0.991 -2.136 -0.380 1.00 10.00 H new ATOM 0 HA ASP A 18 3.576 -2.645 -1.631 1.00 10.00 H new ATOM 0 HB2 ASP A 18 1.452 -1.621 -2.639 1.00 10.00 H new ATOM 0 HB3 ASP A 18 1.676 -0.225 -1.604 1.00 10.00 H new ATOM 293 N PHE A 19 3.448 -0.353 0.714 1.00 10.00 N ATOM 294 CA PHE A 19 4.342 0.507 1.559 1.00 10.00 C ATOM 295 C PHE A 19 5.597 -0.272 1.973 1.00 10.00 C ATOM 296 O PHE A 19 6.707 0.209 1.838 1.00 10.00 O ATOM 297 CB PHE A 19 3.511 0.866 2.795 1.00 10.00 C ATOM 298 CG PHE A 19 3.590 2.354 3.044 1.00 10.00 C ATOM 299 CD1 PHE A 19 4.773 2.917 3.539 1.00 10.00 C ATOM 300 CD2 PHE A 19 2.484 3.169 2.779 1.00 10.00 C ATOM 301 CE1 PHE A 19 4.848 4.295 3.770 1.00 10.00 C ATOM 302 CE2 PHE A 19 2.559 4.548 3.011 1.00 10.00 C ATOM 303 CZ PHE A 19 3.741 5.111 3.506 1.00 10.00 C ATOM 0 H PHE A 19 2.468 -0.363 0.996 1.00 10.00 H new ATOM 0 HA PHE A 19 4.677 1.394 1.021 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.473 0.566 2.648 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.880 0.322 3.664 1.00 10.00 H new ATOM 0 HD1 PHE A 19 5.627 2.288 3.742 1.00 10.00 H new ATOM 0 HD2 PHE A 19 1.573 2.735 2.396 1.00 10.00 H new ATOM 0 HE1 PHE A 19 5.760 4.729 4.152 1.00 10.00 H new ATOM 0 HE2 PHE A 19 1.705 5.177 2.808 1.00 10.00 H new ATOM 0 HZ PHE A 19 3.799 6.175 3.684 1.00 10.00 H new ATOM 313 N LYS A 20 5.423 -1.473 2.469 1.00 10.00 N ATOM 314 CA LYS A 20 6.600 -2.295 2.889 1.00 10.00 C ATOM 315 C LYS A 20 7.488 -2.614 1.678 1.00 10.00 C ATOM 316 O LYS A 20 8.699 -2.505 1.743 1.00 10.00 O ATOM 317 CB LYS A 20 6.003 -3.581 3.470 1.00 10.00 C ATOM 318 CG LYS A 20 7.106 -4.405 4.138 1.00 10.00 C ATOM 319 CD LYS A 20 6.501 -5.670 4.752 1.00 10.00 C ATOM 320 CE LYS A 20 5.944 -5.349 6.142 1.00 10.00 C ATOM 321 NZ LYS A 20 5.046 -6.492 6.478 1.00 10.00 N ATOM 0 H LYS A 20 4.516 -1.920 2.601 1.00 10.00 H new ATOM 0 HA LYS A 20 7.227 -1.774 3.613 1.00 10.00 H new ATOM 0 HB2 LYS A 20 5.227 -3.338 4.196 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.529 -4.163 2.680 1.00 10.00 H new ATOM 0 HG2 LYS A 20 7.868 -4.672 3.406 1.00 10.00 H new ATOM 0 HG3 LYS A 20 7.599 -3.814 4.910 1.00 10.00 H new ATOM 0 HD2 LYS A 20 5.708 -6.054 4.111 1.00 10.00 H new ATOM 0 HD3 LYS A 20 7.259 -6.450 4.824 1.00 10.00 H new ATOM 0 HE2 LYS A 20 6.746 -5.250 6.874 1.00 10.00 H new ATOM 0 HE3 LYS A 20 5.397 -4.406 6.139 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 4.628 -6.340 7.418 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 4.288 -6.558 5.769 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 5.595 -7.375 6.481 1.00 10.00 H new ATOM 335 N THR A 21 6.895 -3.005 0.575 1.00 10.00 N ATOM 336 CA THR A 21 7.700 -3.330 -0.645 1.00 10.00 C ATOM 337 C THR A 21 8.302 -2.053 -1.243 1.00 10.00 C ATOM 338 O THR A 21 9.423 -2.056 -1.711 1.00 10.00 O ATOM 339 CB THR A 21 6.709 -3.976 -1.623 1.00 10.00 C ATOM 340 OG1 THR A 21 5.941 -4.960 -0.940 1.00 10.00 O ATOM 341 CG2 THR A 21 7.473 -4.638 -2.772 1.00 10.00 C ATOM 0 H THR A 21 5.887 -3.113 0.467 1.00 10.00 H new ATOM 0 HA THR A 21 8.535 -3.994 -0.421 1.00 10.00 H new ATOM 0 HB THR A 21 6.048 -3.208 -2.023 1.00 10.00 H new ATOM 0 HG1 THR A 21 5.307 -5.371 -1.564 1.00 10.00 H new ATOM 0 HG21 THR A 21 6.765 -5.095 -3.464 1.00 10.00 H new ATOM 0 HG22 THR A 21 8.061 -3.886 -3.299 1.00 10.00 H new ATOM 0 HG23 THR A 21 8.137 -5.405 -2.373 1.00 10.00 H new ATOM 349 N TRP A 22 7.570 -0.964 -1.221 1.00 10.00 N ATOM 350 CA TRP A 22 8.101 0.320 -1.777 1.00 10.00 C ATOM 351 C TRP A 22 9.435 0.657 -1.107 1.00 10.00 C ATOM 352 O TRP A 22 10.417 0.935 -1.766 1.00 10.00 O ATOM 353 CB TRP A 22 7.049 1.375 -1.425 1.00 10.00 C ATOM 354 CG TRP A 22 7.135 2.512 -2.391 1.00 10.00 C ATOM 355 CD1 TRP A 22 6.510 2.562 -3.590 1.00 10.00 C ATOM 356 CD2 TRP A 22 7.877 3.759 -2.263 1.00 10.00 C ATOM 357 NE1 TRP A 22 6.822 3.762 -4.206 1.00 10.00 N ATOM 358 CE2 TRP A 22 7.661 4.534 -3.427 1.00 10.00 C ATOM 359 CE3 TRP A 22 8.709 4.289 -1.259 1.00 10.00 C ATOM 360 CZ2 TRP A 22 8.248 5.790 -3.590 1.00 10.00 C ATOM 361 CZ3 TRP A 22 9.302 5.552 -1.420 1.00 10.00 C ATOM 362 CH2 TRP A 22 9.071 6.300 -2.583 1.00 10.00 C ATOM 0 H TRP A 22 6.625 -0.910 -0.841 1.00 10.00 H new ATOM 0 HA TRP A 22 8.277 0.267 -2.851 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.053 0.934 -1.455 1.00 10.00 H new ATOM 0 HB3 TRP A 22 7.207 1.736 -0.409 1.00 10.00 H new ATOM 0 HD1 TRP A 22 5.872 1.792 -3.999 1.00 10.00 H new ATOM 0 HE1 TRP A 22 6.475 4.042 -5.123 1.00 10.00 H new ATOM 0 HE3 TRP A 22 8.893 3.721 -0.359 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 8.067 6.363 -4.488 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 9.939 5.949 -0.644 1.00 10.00 H new ATOM 0 HH2 TRP A 22 9.529 7.271 -2.700 1.00 10.00 H new ATOM 373 N LEU A 23 9.469 0.622 0.200 1.00 10.00 N ATOM 374 CA LEU A 23 10.737 0.927 0.934 1.00 10.00 C ATOM 375 C LEU A 23 11.802 -0.132 0.621 1.00 10.00 C ATOM 376 O LEU A 23 12.958 0.187 0.417 1.00 10.00 O ATOM 377 CB LEU A 23 10.364 0.893 2.421 1.00 10.00 C ATOM 378 CG LEU A 23 10.127 2.319 2.926 1.00 10.00 C ATOM 379 CD1 LEU A 23 8.676 2.726 2.661 1.00 10.00 C ATOM 380 CD2 LEU A 23 10.402 2.380 4.432 1.00 10.00 C ATOM 0 H LEU A 23 8.671 0.395 0.794 1.00 10.00 H new ATOM 0 HA LEU A 23 11.154 1.891 0.644 1.00 10.00 H new ATOM 0 HB2 LEU A 23 9.467 0.291 2.567 1.00 10.00 H new ATOM 0 HB3 LEU A 23 11.161 0.421 2.995 1.00 10.00 H new ATOM 0 HG LEU A 23 10.797 3.001 2.402 1.00 10.00 H new ATOM 0 HD11 LEU A 23 8.511 3.741 3.022 1.00 10.00 H new ATOM 0 HD12 LEU A 23 8.476 2.684 1.590 1.00 10.00 H new ATOM 0 HD13 LEU A 23 8.005 2.043 3.182 1.00 10.00 H new ATOM 0 HD21 LEU A 23 10.233 3.395 4.792 1.00 10.00 H new ATOM 0 HD22 LEU A 23 9.733 1.695 4.952 1.00 10.00 H new ATOM 0 HD23 LEU A 23 11.436 2.094 4.625 1.00 10.00 H new ATOM 392 N LYS A 24 11.420 -1.390 0.575 1.00 10.00 N ATOM 393 CA LYS A 24 12.412 -2.471 0.269 1.00 10.00 C ATOM 394 C LYS A 24 12.919 -2.337 -1.172 1.00 10.00 C ATOM 395 O LYS A 24 14.103 -2.427 -1.431 1.00 10.00 O ATOM 396 CB LYS A 24 11.645 -3.785 0.445 1.00 10.00 C ATOM 397 CG LYS A 24 11.659 -4.193 1.922 1.00 10.00 C ATOM 398 CD LYS A 24 11.399 -5.698 2.043 1.00 10.00 C ATOM 399 CE LYS A 24 12.729 -6.459 1.985 1.00 10.00 C ATOM 400 NZ LYS A 24 13.226 -6.489 3.393 1.00 10.00 N ATOM 0 H LYS A 24 10.466 -1.712 0.736 1.00 10.00 H new ATOM 0 HA LYS A 24 13.285 -2.419 0.920 1.00 10.00 H new ATOM 0 HB2 LYS A 24 10.618 -3.668 0.099 1.00 10.00 H new ATOM 0 HB3 LYS A 24 12.099 -4.567 -0.163 1.00 10.00 H new ATOM 0 HG2 LYS A 24 12.621 -3.943 2.369 1.00 10.00 H new ATOM 0 HG3 LYS A 24 10.898 -3.637 2.470 1.00 10.00 H new ATOM 0 HD2 LYS A 24 10.886 -5.914 2.980 1.00 10.00 H new ATOM 0 HD3 LYS A 24 10.744 -6.030 1.237 1.00 10.00 H new ATOM 0 HE2 LYS A 24 12.589 -7.467 1.596 1.00 10.00 H new ATOM 0 HE3 LYS A 24 13.440 -5.959 1.327 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 14.134 -6.995 3.430 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 13.358 -5.516 3.735 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 12.533 -6.977 3.995 1.00 10.00 H new ATOM 414 N ALA A 25 12.030 -2.116 -2.109 1.00 10.00 N ATOM 415 CA ALA A 25 12.448 -1.968 -3.538 1.00 10.00 C ATOM 416 C ALA A 25 13.257 -0.677 -3.732 1.00 10.00 C ATOM 417 O ALA A 25 14.149 -0.618 -4.557 1.00 10.00 O ATOM 418 CB ALA A 25 11.142 -1.906 -4.332 1.00 10.00 C ATOM 0 H ALA A 25 11.027 -2.031 -1.944 1.00 10.00 H new ATOM 0 HA ALA A 25 13.085 -2.790 -3.864 1.00 10.00 H new ATOM 0 HB1 ALA A 25 11.366 -1.797 -5.393 1.00 10.00 H new ATOM 0 HB2 ALA A 25 10.576 -2.824 -4.173 1.00 10.00 H new ATOM 0 HB3 ALA A 25 10.552 -1.053 -3.996 1.00 10.00 H new ATOM 424 N LYS A 26 12.950 0.357 -2.980 1.00 10.00 N ATOM 425 CA LYS A 26 13.699 1.647 -3.119 1.00 10.00 C ATOM 426 C LYS A 26 15.196 1.432 -2.857 1.00 10.00 C ATOM 427 O LYS A 26 16.034 1.931 -3.585 1.00 10.00 O ATOM 428 CB LYS A 26 13.098 2.584 -2.065 1.00 10.00 C ATOM 429 CG LYS A 26 12.268 3.671 -2.754 1.00 10.00 C ATOM 430 CD LYS A 26 13.054 4.985 -2.766 1.00 10.00 C ATOM 431 CE LYS A 26 12.407 5.967 -3.750 1.00 10.00 C ATOM 432 NZ LYS A 26 13.082 5.718 -5.058 1.00 10.00 N ATOM 0 H LYS A 26 12.212 0.361 -2.276 1.00 10.00 H new ATOM 0 HA LYS A 26 13.611 2.059 -4.124 1.00 10.00 H new ATOM 0 HB2 LYS A 26 12.472 2.018 -1.375 1.00 10.00 H new ATOM 0 HB3 LYS A 26 13.893 3.039 -1.474 1.00 10.00 H new ATOM 0 HG2 LYS A 26 12.029 3.369 -3.774 1.00 10.00 H new ATOM 0 HG3 LYS A 26 11.321 3.806 -2.231 1.00 10.00 H new ATOM 0 HD2 LYS A 26 13.073 5.417 -1.766 1.00 10.00 H new ATOM 0 HD3 LYS A 26 14.089 4.798 -3.052 1.00 10.00 H new ATOM 0 HE2 LYS A 26 11.333 5.799 -3.824 1.00 10.00 H new ATOM 0 HE3 LYS A 26 12.547 6.998 -3.425 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 12.688 6.356 -5.779 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 14.103 5.893 -4.961 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 12.926 4.731 -5.347 1.00 10.00 H new ATOM 446 N LEU A 27 15.536 0.691 -1.830 1.00 10.00 N ATOM 447 CA LEU A 27 16.982 0.441 -1.531 1.00 10.00 C ATOM 448 C LEU A 27 17.452 -0.867 -2.195 1.00 10.00 C ATOM 449 O LEU A 27 18.624 -1.037 -2.473 1.00 10.00 O ATOM 450 CB LEU A 27 17.077 0.356 0.002 1.00 10.00 C ATOM 451 CG LEU A 27 16.452 -0.949 0.515 1.00 10.00 C ATOM 452 CD1 LEU A 27 17.560 -1.939 0.883 1.00 10.00 C ATOM 453 CD2 LEU A 27 15.601 -0.656 1.755 1.00 10.00 C ATOM 0 H LEU A 27 14.878 0.250 -1.188 1.00 10.00 H new ATOM 0 HA LEU A 27 17.623 1.231 -1.923 1.00 10.00 H new ATOM 0 HB2 LEU A 27 18.121 0.410 0.310 1.00 10.00 H new ATOM 0 HB3 LEU A 27 16.568 1.209 0.450 1.00 10.00 H new ATOM 0 HG LEU A 27 15.824 -1.379 -0.265 1.00 10.00 H new ATOM 0 HD11 LEU A 27 17.115 -2.865 1.247 1.00 10.00 H new ATOM 0 HD12 LEU A 27 18.167 -2.150 0.002 1.00 10.00 H new ATOM 0 HD13 LEU A 27 18.189 -1.508 1.662 1.00 10.00 H new ATOM 0 HD21 LEU A 27 15.157 -1.583 2.119 1.00 10.00 H new ATOM 0 HD22 LEU A 27 16.229 -0.224 2.534 1.00 10.00 H new ATOM 0 HD23 LEU A 27 14.810 0.048 1.495 1.00 10.00 H new ATOM 465 N MET A 28 16.548 -1.786 -2.454 1.00 10.00 N ATOM 466 CA MET A 28 16.938 -3.074 -3.102 1.00 10.00 C ATOM 467 C MET A 28 15.900 -3.461 -4.167 1.00 10.00 C ATOM 468 O MET A 28 15.040 -4.289 -3.926 1.00 10.00 O ATOM 469 CB MET A 28 16.967 -4.102 -1.965 1.00 10.00 C ATOM 470 CG MET A 28 18.416 -4.458 -1.632 1.00 10.00 C ATOM 471 SD MET A 28 18.499 -5.168 0.031 1.00 10.00 S ATOM 472 CE MET A 28 20.017 -4.336 0.559 1.00 10.00 C ATOM 0 H MET A 28 15.554 -1.695 -2.242 1.00 10.00 H new ATOM 0 HA MET A 28 17.901 -3.011 -3.608 1.00 10.00 H new ATOM 0 HB2 MET A 28 16.469 -3.698 -1.083 1.00 10.00 H new ATOM 0 HB3 MET A 28 16.420 -4.998 -2.257 1.00 10.00 H new ATOM 0 HG2 MET A 28 18.803 -5.169 -2.362 1.00 10.00 H new ATOM 0 HG3 MET A 28 19.043 -3.568 -1.690 1.00 10.00 H new ATOM 0 HE1 MET A 28 19.990 -4.180 1.638 1.00 10.00 H new ATOM 0 HE2 MET A 28 20.878 -4.953 0.302 1.00 10.00 H new ATOM 0 HE3 MET A 28 20.098 -3.373 0.055 1.00 10.00 H new ATOM 482 N PRO A 29 16.011 -2.837 -5.319 1.00 10.00 N ATOM 483 CA PRO A 29 15.068 -3.115 -6.434 1.00 10.00 C ATOM 484 C PRO A 29 15.328 -4.496 -7.048 1.00 10.00 C ATOM 485 O PRO A 29 16.220 -5.215 -6.636 1.00 10.00 O ATOM 486 CB PRO A 29 15.367 -2.009 -7.444 1.00 10.00 C ATOM 487 CG PRO A 29 16.774 -1.591 -7.157 1.00 10.00 C ATOM 488 CD PRO A 29 17.014 -1.828 -5.688 1.00 10.00 C ATOM 0 HA PRO A 29 14.027 -3.126 -6.110 1.00 10.00 H new ATOM 0 HB2 PRO A 29 15.264 -2.371 -8.467 1.00 10.00 H new ATOM 0 HB3 PRO A 29 14.676 -1.174 -7.330 1.00 10.00 H new ATOM 0 HG2 PRO A 29 17.477 -2.165 -7.760 1.00 10.00 H new ATOM 0 HG3 PRO A 29 16.923 -0.541 -7.407 1.00 10.00 H new ATOM 0 HD2 PRO A 29 18.027 -2.186 -5.502 1.00 10.00 H new ATOM 0 HD3 PRO A 29 16.889 -0.912 -5.111 1.00 10.00 H new ATOM 496 N GLN A 30 14.549 -4.863 -8.034 1.00 10.00 N ATOM 497 CA GLN A 30 14.731 -6.195 -8.691 1.00 10.00 C ATOM 498 C GLN A 30 14.369 -6.112 -10.184 1.00 10.00 C ATOM 499 O GLN A 30 13.611 -6.914 -10.695 1.00 10.00 O ATOM 500 CB GLN A 30 13.781 -7.148 -7.948 1.00 10.00 C ATOM 501 CG GLN A 30 12.352 -6.586 -7.964 1.00 10.00 C ATOM 502 CD GLN A 30 11.348 -7.739 -8.048 1.00 10.00 C ATOM 503 OE1 GLN A 30 11.101 -8.266 -9.114 1.00 10.00 O ATOM 504 NE2 GLN A 30 10.752 -8.155 -6.964 1.00 10.00 N ATOM 0 H GLN A 30 13.791 -4.296 -8.414 1.00 10.00 H new ATOM 0 HA GLN A 30 15.764 -6.539 -8.640 1.00 10.00 H new ATOM 0 HB2 GLN A 30 13.799 -8.131 -8.418 1.00 10.00 H new ATOM 0 HB3 GLN A 30 14.117 -7.280 -6.919 1.00 10.00 H new ATOM 0 HG2 GLN A 30 12.171 -5.998 -7.064 1.00 10.00 H new ATOM 0 HG3 GLN A 30 12.223 -5.916 -8.814 1.00 10.00 H new ATOM 0 HE21 GLN A 30 10.958 -7.714 -6.068 1.00 10.00 H new ATOM 0 HE22 GLN A 30 10.080 -8.921 -7.013 1.00 10.00 H new ATOM 513 N LEU A 31 14.912 -5.144 -10.884 1.00 10.00 N ATOM 514 CA LEU A 31 14.606 -5.002 -12.342 1.00 10.00 C ATOM 515 C LEU A 31 15.773 -5.535 -13.184 1.00 10.00 C ATOM 516 O LEU A 31 16.899 -5.132 -12.931 1.00 10.00 O ATOM 517 CB LEU A 31 14.418 -3.497 -12.564 1.00 10.00 C ATOM 518 CG LEU A 31 13.783 -3.254 -13.938 1.00 10.00 C ATOM 519 CD1 LEU A 31 12.258 -3.271 -13.808 1.00 10.00 C ATOM 520 CD2 LEU A 31 14.232 -1.891 -14.474 1.00 10.00 C ATOM 521 OXT LEU A 31 15.519 -6.335 -14.069 1.00 10.00 O ATOM 0 H LEU A 31 15.554 -4.446 -10.508 1.00 10.00 H new ATOM 0 HA LEU A 31 13.722 -5.568 -12.637 1.00 10.00 H new ATOM 0 HB2 LEU A 31 13.785 -3.080 -11.781 1.00 10.00 H new ATOM 0 HB3 LEU A 31 15.379 -2.987 -12.501 1.00 10.00 H new ATOM 0 HG LEU A 31 14.098 -4.039 -14.626 1.00 10.00 H new ATOM 0 HD11 LEU A 31 11.808 -3.098 -14.785 1.00 10.00 H new ATOM 0 HD12 LEU A 31 11.936 -4.240 -13.426 1.00 10.00 H new ATOM 0 HD13 LEU A 31 11.943 -2.487 -13.119 1.00 10.00 H new ATOM 0 HD21 LEU A 31 13.781 -1.718 -15.451 1.00 10.00 H new ATOM 0 HD22 LEU A 31 13.917 -1.107 -13.785 1.00 10.00 H new ATOM 0 HD23 LEU A 31 15.318 -1.877 -14.568 1.00 10.00 H new TER 533 LEU A 31