USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=8 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= 0.179 (180deg=0.0295) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0882 USER MOD Single : A 3 SER OG : rot 57:sc= 0.148 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= 0.0265 USER MOD Single : A 24 LYS NZ :NH3+ -117:sc= 0.0103 (180deg=-0.0522) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl -116:sc= -0.305 (180deg=-2.04) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -25.765 -1.791 -8.706 1.00 10.00 N ATOM 2 CA SER A 1 -25.291 -0.392 -8.941 1.00 10.00 C ATOM 3 C SER A 1 -23.757 -0.337 -8.922 1.00 10.00 C ATOM 4 O SER A 1 -23.133 0.009 -9.906 1.00 10.00 O ATOM 5 CB SER A 1 -25.873 0.434 -7.790 1.00 10.00 C ATOM 6 OG SER A 1 -27.267 0.178 -7.684 1.00 10.00 O ATOM 0 H1 SER A 1 -26.744 -1.772 -8.355 1.00 10.00 H new ATOM 0 H2 SER A 1 -25.728 -2.325 -9.598 1.00 10.00 H new ATOM 0 H3 SER A 1 -25.154 -2.251 -8.002 1.00 10.00 H new ATOM 0 HA SER A 1 -25.610 -0.012 -9.912 1.00 10.00 H new ATOM 0 HB2 SER A 1 -25.373 0.179 -6.856 1.00 10.00 H new ATOM 0 HB3 SER A 1 -25.699 1.496 -7.965 1.00 10.00 H new ATOM 0 HG SER A 1 -27.641 0.704 -6.947 1.00 10.00 H new ATOM 14 N GLY A 2 -23.149 -0.674 -7.810 1.00 10.00 N ATOM 15 CA GLY A 2 -21.659 -0.640 -7.724 1.00 10.00 C ATOM 16 C GLY A 2 -21.235 -0.328 -6.286 1.00 10.00 C ATOM 17 O GLY A 2 -21.856 0.468 -5.606 1.00 10.00 O ATOM 0 H GLY A 2 -23.624 -0.971 -6.958 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -21.245 -1.599 -8.036 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -21.262 0.115 -8.403 1.00 10.00 H new ATOM 21 N SER A 3 -20.180 -0.949 -5.819 1.00 10.00 N ATOM 22 CA SER A 3 -19.709 -0.694 -4.423 1.00 10.00 C ATOM 23 C SER A 3 -18.489 0.237 -4.435 1.00 10.00 C ATOM 24 O SER A 3 -17.354 -0.207 -4.430 1.00 10.00 O ATOM 25 CB SER A 3 -19.341 -2.073 -3.860 1.00 10.00 C ATOM 26 OG SER A 3 -18.596 -2.803 -4.829 1.00 10.00 O ATOM 0 H SER A 3 -19.624 -1.623 -6.346 1.00 10.00 H new ATOM 0 HA SER A 3 -20.470 -0.205 -3.815 1.00 10.00 H new ATOM 0 HB2 SER A 3 -18.756 -1.960 -2.947 1.00 10.00 H new ATOM 0 HB3 SER A 3 -20.245 -2.621 -3.594 1.00 10.00 H new ATOM 0 HG SER A 3 -17.805 -2.287 -5.090 1.00 10.00 H new ATOM 32 N TRP A 4 -18.718 1.528 -4.448 1.00 10.00 N ATOM 33 CA TRP A 4 -17.578 2.503 -4.457 1.00 10.00 C ATOM 34 C TRP A 4 -16.740 2.353 -3.179 1.00 10.00 C ATOM 35 O TRP A 4 -15.531 2.488 -3.204 1.00 10.00 O ATOM 36 CB TRP A 4 -18.235 3.886 -4.510 1.00 10.00 C ATOM 37 CG TRP A 4 -17.921 4.543 -5.816 1.00 10.00 C ATOM 38 CD1 TRP A 4 -18.670 4.437 -6.938 1.00 10.00 C ATOM 39 CD2 TRP A 4 -16.795 5.403 -6.156 1.00 10.00 C ATOM 40 NE1 TRP A 4 -18.074 5.176 -7.945 1.00 10.00 N ATOM 41 CE2 TRP A 4 -16.916 5.791 -7.511 1.00 10.00 C ATOM 42 CE3 TRP A 4 -15.691 5.881 -5.427 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -15.977 6.622 -8.121 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -14.742 6.717 -6.038 1.00 10.00 C ATOM 45 CH2 TRP A 4 -14.886 7.088 -7.382 1.00 10.00 C ATOM 0 H TRP A 4 -19.646 1.951 -4.453 1.00 10.00 H new ATOM 0 HA TRP A 4 -16.905 2.341 -5.299 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -19.314 3.791 -4.390 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -17.875 4.502 -3.686 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -19.584 3.869 -7.032 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -18.445 5.257 -8.892 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -15.572 5.603 -4.390 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -16.092 6.904 -9.157 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -13.897 7.076 -5.469 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -14.155 7.733 -7.846 1.00 10.00 H new ATOM 56 N LEU A 5 -17.377 2.068 -2.066 1.00 10.00 N ATOM 57 CA LEU A 5 -16.623 1.897 -0.783 1.00 10.00 C ATOM 58 C LEU A 5 -15.574 0.789 -0.935 1.00 10.00 C ATOM 59 O LEU A 5 -14.430 0.958 -0.562 1.00 10.00 O ATOM 60 CB LEU A 5 -17.676 1.506 0.260 1.00 10.00 C ATOM 61 CG LEU A 5 -18.025 2.725 1.121 1.00 10.00 C ATOM 62 CD1 LEU A 5 -18.884 3.700 0.311 1.00 10.00 C ATOM 63 CD2 LEU A 5 -18.805 2.270 2.357 1.00 10.00 C ATOM 0 H LEU A 5 -18.387 1.947 -1.992 1.00 10.00 H new ATOM 0 HA LEU A 5 -16.091 2.804 -0.494 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -18.571 1.130 -0.236 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -17.298 0.700 0.889 1.00 10.00 H new ATOM 0 HG LEU A 5 -17.106 3.222 1.430 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -19.130 4.565 0.926 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -18.331 4.026 -0.570 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -19.803 3.203 -0.001 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -19.053 3.137 2.970 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -19.723 1.771 2.045 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -18.195 1.578 2.938 1.00 10.00 H new ATOM 75 N ARG A 6 -15.955 -0.336 -1.497 1.00 10.00 N ATOM 76 CA ARG A 6 -14.978 -1.457 -1.693 1.00 10.00 C ATOM 77 C ARG A 6 -13.782 -0.968 -2.521 1.00 10.00 C ATOM 78 O ARG A 6 -12.653 -1.342 -2.270 1.00 10.00 O ATOM 79 CB ARG A 6 -15.751 -2.540 -2.450 1.00 10.00 C ATOM 80 CG ARG A 6 -15.053 -3.892 -2.272 1.00 10.00 C ATOM 81 CD ARG A 6 -15.580 -4.885 -3.313 1.00 10.00 C ATOM 82 NE ARG A 6 -14.430 -5.135 -4.230 1.00 10.00 N ATOM 83 CZ ARG A 6 -13.770 -6.260 -4.164 1.00 10.00 C ATOM 84 NH1 ARG A 6 -12.840 -6.421 -3.258 1.00 10.00 N ATOM 85 NH2 ARG A 6 -14.039 -7.225 -5.004 1.00 10.00 N ATOM 0 H ARG A 6 -16.901 -0.526 -1.828 1.00 10.00 H new ATOM 0 HA ARG A 6 -14.584 -1.832 -0.748 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -16.774 -2.597 -2.079 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -15.809 -2.286 -3.508 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -13.975 -3.773 -2.382 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -15.231 -4.275 -1.267 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -15.916 -5.809 -2.842 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -16.433 -4.474 -3.853 1.00 10.00 H new ATOM 0 HE ARG A 6 -14.158 -4.425 -4.910 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -12.630 -5.668 -2.603 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -12.325 -7.300 -3.207 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -14.764 -7.099 -5.710 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -13.524 -8.104 -4.953 1.00 10.00 H new ATOM 99 N ASP A 7 -14.027 -0.124 -3.497 1.00 10.00 N ATOM 100 CA ASP A 7 -12.911 0.410 -4.338 1.00 10.00 C ATOM 101 C ASP A 7 -11.946 1.226 -3.466 1.00 10.00 C ATOM 102 O ASP A 7 -10.743 1.160 -3.630 1.00 10.00 O ATOM 103 CB ASP A 7 -13.591 1.307 -5.379 1.00 10.00 C ATOM 104 CG ASP A 7 -12.601 1.636 -6.498 1.00 10.00 C ATOM 105 OD1 ASP A 7 -12.430 0.805 -7.373 1.00 10.00 O ATOM 106 OD2 ASP A 7 -12.032 2.715 -6.461 1.00 10.00 O ATOM 0 H ASP A 7 -14.955 0.218 -3.746 1.00 10.00 H new ATOM 0 HA ASP A 7 -12.327 -0.381 -4.808 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -14.467 0.805 -5.790 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -13.942 2.225 -4.909 1.00 10.00 H new ATOM 111 N ILE A 8 -12.468 1.986 -2.533 1.00 10.00 N ATOM 112 CA ILE A 8 -11.587 2.800 -1.637 1.00 10.00 C ATOM 113 C ILE A 8 -10.948 1.898 -0.570 1.00 10.00 C ATOM 114 O ILE A 8 -9.754 1.951 -0.343 1.00 10.00 O ATOM 115 CB ILE A 8 -12.517 3.837 -0.992 1.00 10.00 C ATOM 116 CG1 ILE A 8 -12.812 4.952 -2.001 1.00 10.00 C ATOM 117 CG2 ILE A 8 -11.849 4.441 0.249 1.00 10.00 C ATOM 118 CD1 ILE A 8 -14.323 5.083 -2.195 1.00 10.00 C ATOM 0 H ILE A 8 -13.468 2.078 -2.353 1.00 10.00 H new ATOM 0 HA ILE A 8 -10.770 3.278 -2.179 1.00 10.00 H new ATOM 0 HB ILE A 8 -13.446 3.349 -0.697 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -12.398 5.896 -1.646 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -12.331 4.731 -2.954 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -12.516 5.176 0.700 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -11.639 3.651 0.970 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -10.917 4.926 -0.040 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -14.530 5.877 -2.913 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -14.725 4.141 -2.569 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -14.793 5.325 -1.242 1.00 10.00 H new ATOM 130 N TRP A 9 -11.737 1.073 0.081 1.00 10.00 N ATOM 131 CA TRP A 9 -11.177 0.164 1.135 1.00 10.00 C ATOM 132 C TRP A 9 -10.071 -0.713 0.539 1.00 10.00 C ATOM 133 O TRP A 9 -9.010 -0.863 1.116 1.00 10.00 O ATOM 134 CB TRP A 9 -12.353 -0.703 1.601 1.00 10.00 C ATOM 135 CG TRP A 9 -13.333 0.128 2.372 1.00 10.00 C ATOM 136 CD1 TRP A 9 -14.675 0.096 2.201 1.00 10.00 C ATOM 137 CD2 TRP A 9 -13.080 1.104 3.426 1.00 10.00 C ATOM 138 NE1 TRP A 9 -15.260 0.992 3.077 1.00 10.00 N ATOM 139 CE2 TRP A 9 -14.319 1.636 3.854 1.00 10.00 C ATOM 140 CE3 TRP A 9 -11.908 1.574 4.047 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -14.393 2.601 4.859 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -11.979 2.545 5.058 1.00 10.00 C ATOM 143 CH2 TRP A 9 -13.219 3.057 5.463 1.00 10.00 C ATOM 0 H TRP A 9 -12.742 0.990 -0.072 1.00 10.00 H new ATOM 0 HA TRP A 9 -10.738 0.722 1.962 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.846 -1.154 0.740 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -11.988 -1.520 2.224 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -15.203 -0.528 1.495 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -16.265 1.157 3.141 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -10.947 1.185 3.744 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -15.351 2.993 5.168 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -11.073 2.900 5.526 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -13.267 3.804 6.242 1.00 10.00 H new ATOM 154 N ASP A 10 -10.313 -1.285 -0.616 1.00 10.00 N ATOM 155 CA ASP A 10 -9.280 -2.148 -1.268 1.00 10.00 C ATOM 156 C ASP A 10 -8.035 -1.316 -1.608 1.00 10.00 C ATOM 157 O ASP A 10 -6.918 -1.748 -1.394 1.00 10.00 O ATOM 158 CB ASP A 10 -9.949 -2.674 -2.540 1.00 10.00 C ATOM 159 CG ASP A 10 -9.139 -3.841 -3.103 1.00 10.00 C ATOM 160 OD1 ASP A 10 -9.305 -4.946 -2.609 1.00 10.00 O ATOM 161 OD2 ASP A 10 -8.372 -3.612 -4.021 1.00 10.00 O ATOM 0 H ASP A 10 -11.185 -1.190 -1.136 1.00 10.00 H new ATOM 0 HA ASP A 10 -8.948 -2.960 -0.622 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -10.966 -2.997 -2.320 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -10.021 -1.878 -3.281 1.00 10.00 H new ATOM 166 N TRP A 11 -8.223 -0.124 -2.125 1.00 10.00 N ATOM 167 CA TRP A 11 -7.052 0.748 -2.468 1.00 10.00 C ATOM 168 C TRP A 11 -6.229 1.040 -1.205 1.00 10.00 C ATOM 169 O TRP A 11 -5.013 1.011 -1.228 1.00 10.00 O ATOM 170 CB TRP A 11 -7.670 2.033 -3.033 1.00 10.00 C ATOM 171 CG TRP A 11 -6.594 3.019 -3.366 1.00 10.00 C ATOM 172 CD1 TRP A 11 -5.950 3.095 -4.553 1.00 10.00 C ATOM 173 CD2 TRP A 11 -6.030 4.069 -2.527 1.00 10.00 C ATOM 174 NE1 TRP A 11 -5.029 4.127 -4.497 1.00 10.00 N ATOM 175 CE2 TRP A 11 -5.040 4.756 -3.268 1.00 10.00 C ATOM 176 CE3 TRP A 11 -6.281 4.487 -1.208 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -4.324 5.820 -2.721 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -5.562 5.558 -0.654 1.00 10.00 C ATOM 179 CH2 TRP A 11 -4.585 6.224 -1.408 1.00 10.00 C ATOM 0 H TRP A 11 -9.137 0.283 -2.324 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.374 0.281 -3.182 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.252 1.804 -3.925 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -8.358 2.465 -2.306 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -6.126 2.455 -5.405 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -4.417 4.390 -5.269 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -7.031 3.981 -0.618 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -3.573 6.329 -3.307 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -5.763 5.871 0.360 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -4.035 7.047 -0.976 1.00 10.00 H new ATOM 190 N ILE A 12 -6.888 1.306 -0.100 1.00 10.00 N ATOM 191 CA ILE A 12 -6.148 1.581 1.171 1.00 10.00 C ATOM 192 C ILE A 12 -5.329 0.340 1.565 1.00 10.00 C ATOM 193 O ILE A 12 -4.241 0.447 2.099 1.00 10.00 O ATOM 194 CB ILE A 12 -7.235 1.879 2.216 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.898 3.224 1.895 1.00 10.00 C ATOM 196 CG2 ILE A 12 -6.613 1.946 3.615 1.00 10.00 C ATOM 197 CD1 ILE A 12 -9.276 3.286 2.556 1.00 10.00 C ATOM 0 H ILE A 12 -7.905 1.344 -0.025 1.00 10.00 H new ATOM 0 HA ILE A 12 -5.449 2.413 1.081 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.980 1.084 2.190 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -7.274 4.043 2.253 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.995 3.345 0.816 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.390 2.158 4.349 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -6.142 0.991 3.850 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.863 2.737 3.642 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -9.747 4.242 2.327 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.898 2.475 2.177 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -9.167 3.184 3.636 1.00 10.00 H new ATOM 209 N CYS A 13 -5.845 -0.836 1.287 1.00 10.00 N ATOM 210 CA CYS A 13 -5.102 -2.088 1.625 1.00 10.00 C ATOM 211 C CYS A 13 -3.863 -2.222 0.727 1.00 10.00 C ATOM 212 O CYS A 13 -2.818 -2.664 1.166 1.00 10.00 O ATOM 213 CB CYS A 13 -6.090 -3.227 1.353 1.00 10.00 C ATOM 214 SG CYS A 13 -5.452 -4.764 2.067 1.00 10.00 S ATOM 0 H CYS A 13 -6.750 -0.980 0.840 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.752 -2.095 2.657 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -7.063 -2.990 1.784 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.238 -3.346 0.280 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.291 -5.730 1.838 1.00 10.00 H new ATOM 220 N GLU A 14 -3.974 -1.838 -0.525 1.00 10.00 N ATOM 221 CA GLU A 14 -2.805 -1.933 -1.455 1.00 10.00 C ATOM 222 C GLU A 14 -1.730 -0.914 -1.059 1.00 10.00 C ATOM 223 O GLU A 14 -0.548 -1.200 -1.094 1.00 10.00 O ATOM 224 CB GLU A 14 -3.371 -1.611 -2.842 1.00 10.00 C ATOM 225 CG GLU A 14 -3.337 -2.868 -3.716 1.00 10.00 C ATOM 226 CD GLU A 14 -4.665 -3.619 -3.588 1.00 10.00 C ATOM 227 OE1 GLU A 14 -4.903 -4.190 -2.536 1.00 10.00 O ATOM 228 OE2 GLU A 14 -5.421 -3.609 -4.546 1.00 10.00 O ATOM 0 H GLU A 14 -4.826 -1.463 -0.942 1.00 10.00 H new ATOM 0 HA GLU A 14 -2.334 -2.916 -1.428 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -4.394 -1.246 -2.752 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -2.789 -0.816 -3.308 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -3.161 -2.595 -4.756 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -2.512 -3.513 -3.412 1.00 10.00 H new ATOM 235 N VAL A 15 -2.140 0.266 -0.672 1.00 10.00 N ATOM 236 CA VAL A 15 -1.158 1.319 -0.257 1.00 10.00 C ATOM 237 C VAL A 15 -0.408 0.868 1.006 1.00 10.00 C ATOM 238 O VAL A 15 0.753 1.179 1.192 1.00 10.00 O ATOM 239 CB VAL A 15 -2.006 2.570 0.025 1.00 10.00 C ATOM 240 CG1 VAL A 15 -1.126 3.681 0.604 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.643 3.064 -1.280 1.00 10.00 C ATOM 0 H VAL A 15 -3.119 0.550 -0.624 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.404 1.510 -1.021 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.785 2.314 0.743 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -1.736 4.563 0.800 1.00 10.00 H new ATOM 0 HG12 VAL A 15 -0.673 3.339 1.534 1.00 10.00 H new ATOM 0 HG13 VAL A 15 -0.342 3.934 -0.110 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -3.244 3.951 -1.079 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.860 3.311 -1.996 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.279 2.281 -1.694 1.00 10.00 H new ATOM 251 N LEU A 16 -1.065 0.134 1.871 1.00 10.00 N ATOM 252 CA LEU A 16 -0.395 -0.345 3.119 1.00 10.00 C ATOM 253 C LEU A 16 0.538 -1.521 2.799 1.00 10.00 C ATOM 254 O LEU A 16 1.646 -1.593 3.296 1.00 10.00 O ATOM 255 CB LEU A 16 -1.536 -0.791 4.039 1.00 10.00 C ATOM 256 CG LEU A 16 -1.020 -0.922 5.474 1.00 10.00 C ATOM 257 CD1 LEU A 16 -0.877 0.468 6.097 1.00 10.00 C ATOM 258 CD2 LEU A 16 -2.012 -1.748 6.296 1.00 10.00 C ATOM 0 H LEU A 16 -2.038 -0.154 1.766 1.00 10.00 H new ATOM 0 HA LEU A 16 0.218 0.428 3.583 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.351 -0.068 4.000 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.939 -1.745 3.699 1.00 10.00 H new ATOM 0 HG LEU A 16 -0.049 -1.417 5.467 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -0.510 0.373 7.119 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -0.172 1.058 5.511 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -1.847 0.965 6.105 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -1.647 -1.843 7.319 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -2.982 -1.251 6.302 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -2.114 -2.739 5.854 1.00 10.00 H new ATOM 270 N SER A 17 0.100 -2.437 1.969 1.00 10.00 N ATOM 271 CA SER A 17 0.964 -3.605 1.610 1.00 10.00 C ATOM 272 C SER A 17 2.142 -3.143 0.745 1.00 10.00 C ATOM 273 O SER A 17 3.262 -3.587 0.920 1.00 10.00 O ATOM 274 CB SER A 17 0.062 -4.557 0.821 1.00 10.00 C ATOM 275 OG SER A 17 -0.135 -5.746 1.574 1.00 10.00 O ATOM 0 H SER A 17 -0.818 -2.426 1.525 1.00 10.00 H new ATOM 0 HA SER A 17 1.382 -4.088 2.493 1.00 10.00 H new ATOM 0 HB2 SER A 17 -0.896 -4.081 0.614 1.00 10.00 H new ATOM 0 HB3 SER A 17 0.516 -4.793 -0.142 1.00 10.00 H new ATOM 0 HG SER A 17 -0.714 -6.358 1.073 1.00 10.00 H new ATOM 281 N ASP A 18 1.896 -2.248 -0.183 1.00 10.00 N ATOM 282 CA ASP A 18 3.000 -1.747 -1.059 1.00 10.00 C ATOM 283 C ASP A 18 4.034 -0.983 -0.228 1.00 10.00 C ATOM 284 O ASP A 18 5.205 -0.991 -0.542 1.00 10.00 O ATOM 285 CB ASP A 18 2.332 -0.813 -2.069 1.00 10.00 C ATOM 286 CG ASP A 18 3.381 -0.279 -3.047 1.00 10.00 C ATOM 287 OD1 ASP A 18 3.638 -0.951 -4.033 1.00 10.00 O ATOM 288 OD2 ASP A 18 3.913 0.790 -2.792 1.00 10.00 O ATOM 0 H ASP A 18 0.978 -1.844 -0.370 1.00 10.00 H new ATOM 0 HA ASP A 18 3.527 -2.564 -1.552 1.00 10.00 H new ATOM 0 HB2 ASP A 18 1.552 -1.347 -2.612 1.00 10.00 H new ATOM 0 HB3 ASP A 18 1.849 0.015 -1.550 1.00 10.00 H new ATOM 293 N PHE A 19 3.613 -0.326 0.832 1.00 10.00 N ATOM 294 CA PHE A 19 4.581 0.432 1.688 1.00 10.00 C ATOM 295 C PHE A 19 5.769 -0.466 2.056 1.00 10.00 C ATOM 296 O PHE A 19 6.914 -0.057 1.987 1.00 10.00 O ATOM 297 CB PHE A 19 3.792 0.817 2.944 1.00 10.00 C ATOM 298 CG PHE A 19 4.006 2.281 3.249 1.00 10.00 C ATOM 299 CD1 PHE A 19 5.220 2.710 3.799 1.00 10.00 C ATOM 300 CD2 PHE A 19 2.990 3.208 2.983 1.00 10.00 C ATOM 301 CE1 PHE A 19 5.419 4.067 4.083 1.00 10.00 C ATOM 302 CE2 PHE A 19 3.190 4.565 3.267 1.00 10.00 C ATOM 303 CZ PHE A 19 4.404 4.993 3.816 1.00 10.00 C ATOM 0 H PHE A 19 2.641 -0.284 1.139 1.00 10.00 H new ATOM 0 HA PHE A 19 4.984 1.308 1.179 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.731 0.618 2.794 1.00 10.00 H new ATOM 0 HB3 PHE A 19 4.114 0.208 3.789 1.00 10.00 H new ATOM 0 HD1 PHE A 19 6.003 1.995 4.004 1.00 10.00 H new ATOM 0 HD2 PHE A 19 2.053 2.877 2.559 1.00 10.00 H new ATOM 0 HE1 PHE A 19 6.355 4.399 4.508 1.00 10.00 H new ATOM 0 HE2 PHE A 19 2.408 5.281 3.062 1.00 10.00 H new ATOM 0 HZ PHE A 19 4.558 6.040 4.034 1.00 10.00 H new ATOM 313 N LYS A 20 5.496 -1.694 2.427 1.00 10.00 N ATOM 314 CA LYS A 20 6.599 -2.640 2.787 1.00 10.00 C ATOM 315 C LYS A 20 7.494 -2.890 1.564 1.00 10.00 C ATOM 316 O LYS A 20 8.707 -2.857 1.657 1.00 10.00 O ATOM 317 CB LYS A 20 5.892 -3.932 3.213 1.00 10.00 C ATOM 318 CG LYS A 20 6.920 -4.923 3.767 1.00 10.00 C ATOM 319 CD LYS A 20 6.258 -6.290 3.961 1.00 10.00 C ATOM 320 CE LYS A 20 5.847 -6.459 5.428 1.00 10.00 C ATOM 321 NZ LYS A 20 5.185 -7.794 5.498 1.00 10.00 N ATOM 0 H LYS A 20 4.555 -2.082 2.496 1.00 10.00 H new ATOM 0 HA LYS A 20 7.240 -2.251 3.578 1.00 10.00 H new ATOM 0 HB2 LYS A 20 5.139 -3.713 3.970 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.371 -4.371 2.362 1.00 10.00 H new ATOM 0 HG2 LYS A 20 7.763 -5.009 3.082 1.00 10.00 H new ATOM 0 HG3 LYS A 20 7.316 -4.561 4.716 1.00 10.00 H new ATOM 0 HD2 LYS A 20 5.384 -6.377 3.316 1.00 10.00 H new ATOM 0 HD3 LYS A 20 6.947 -7.083 3.672 1.00 10.00 H new ATOM 0 HE2 LYS A 20 6.714 -6.414 6.087 1.00 10.00 H new ATOM 0 HE3 LYS A 20 5.168 -5.666 5.740 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 4.877 -7.978 6.474 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 4.359 -7.805 4.866 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 5.857 -8.531 5.202 1.00 10.00 H new ATOM 335 N THR A 21 6.902 -3.134 0.418 1.00 10.00 N ATOM 336 CA THR A 21 7.712 -3.381 -0.817 1.00 10.00 C ATOM 337 C THR A 21 8.400 -2.087 -1.267 1.00 10.00 C ATOM 338 O THR A 21 9.529 -2.108 -1.716 1.00 10.00 O ATOM 339 CB THR A 21 6.710 -3.853 -1.881 1.00 10.00 C ATOM 340 OG1 THR A 21 5.748 -4.719 -1.287 1.00 10.00 O ATOM 341 CG2 THR A 21 7.452 -4.600 -2.993 1.00 10.00 C ATOM 0 H THR A 21 5.891 -3.173 0.285 1.00 10.00 H new ATOM 0 HA THR A 21 8.496 -4.119 -0.647 1.00 10.00 H new ATOM 0 HB THR A 21 6.202 -2.986 -2.303 1.00 10.00 H new ATOM 0 HG1 THR A 21 5.110 -5.016 -1.969 1.00 10.00 H new ATOM 0 HG21 THR A 21 6.738 -4.934 -3.746 1.00 10.00 H new ATOM 0 HG22 THR A 21 8.182 -3.935 -3.454 1.00 10.00 H new ATOM 0 HG23 THR A 21 7.965 -5.464 -2.571 1.00 10.00 H new ATOM 349 N TRP A 22 7.729 -0.965 -1.143 1.00 10.00 N ATOM 350 CA TRP A 22 8.342 0.338 -1.552 1.00 10.00 C ATOM 351 C TRP A 22 9.691 0.516 -0.851 1.00 10.00 C ATOM 352 O TRP A 22 10.694 0.802 -1.475 1.00 10.00 O ATOM 353 CB TRP A 22 7.354 1.410 -1.082 1.00 10.00 C ATOM 354 CG TRP A 22 7.585 2.675 -1.844 1.00 10.00 C ATOM 355 CD1 TRP A 22 6.881 3.070 -2.930 1.00 10.00 C ATOM 356 CD2 TRP A 22 8.574 3.714 -1.596 1.00 10.00 C ATOM 357 NE1 TRP A 22 7.378 4.287 -3.365 1.00 10.00 N ATOM 358 CE2 TRP A 22 8.422 4.725 -2.574 1.00 10.00 C ATOM 359 CE3 TRP A 22 9.579 3.875 -0.625 1.00 10.00 C ATOM 360 CZ2 TRP A 22 9.238 5.856 -2.588 1.00 10.00 C ATOM 361 CZ3 TRP A 22 10.403 5.013 -0.638 1.00 10.00 C ATOM 362 CH2 TRP A 22 10.232 6.001 -1.618 1.00 10.00 C ATOM 0 H TRP A 22 6.780 -0.897 -0.775 1.00 10.00 H new ATOM 0 HA TRP A 22 8.521 0.394 -2.626 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.331 1.066 -1.231 1.00 10.00 H new ATOM 0 HB3 TRP A 22 7.478 1.589 -0.014 1.00 10.00 H new ATOM 0 HD1 TRP A 22 6.066 2.526 -3.383 1.00 10.00 H new ATOM 0 HE1 TRP A 22 7.017 4.798 -4.171 1.00 10.00 H new ATOM 0 HE3 TRP A 22 9.718 3.120 0.135 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 9.102 6.615 -3.344 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 11.172 5.127 0.111 1.00 10.00 H new ATOM 0 HH2 TRP A 22 10.869 6.873 -1.623 1.00 10.00 H new ATOM 373 N LEU A 23 9.712 0.332 0.446 1.00 10.00 N ATOM 374 CA LEU A 23 10.990 0.470 1.213 1.00 10.00 C ATOM 375 C LEU A 23 11.973 -0.635 0.802 1.00 10.00 C ATOM 376 O LEU A 23 13.159 -0.400 0.664 1.00 10.00 O ATOM 377 CB LEU A 23 10.597 0.319 2.687 1.00 10.00 C ATOM 378 CG LEU A 23 10.486 1.702 3.336 1.00 10.00 C ATOM 379 CD1 LEU A 23 9.101 2.290 3.058 1.00 10.00 C ATOM 380 CD2 LEU A 23 10.690 1.573 4.847 1.00 10.00 C ATOM 0 H LEU A 23 8.896 0.091 1.009 1.00 10.00 H new ATOM 0 HA LEU A 23 11.482 1.424 1.023 1.00 10.00 H new ATOM 0 HB2 LEU A 23 9.647 -0.209 2.768 1.00 10.00 H new ATOM 0 HB3 LEU A 23 11.340 -0.281 3.212 1.00 10.00 H new ATOM 0 HG LEU A 23 11.249 2.360 2.919 1.00 10.00 H new ATOM 0 HD11 LEU A 23 9.024 3.274 3.521 1.00 10.00 H new ATOM 0 HD12 LEU A 23 8.954 2.382 1.982 1.00 10.00 H new ATOM 0 HD13 LEU A 23 8.337 1.633 3.473 1.00 10.00 H new ATOM 0 HD21 LEU A 23 10.611 2.557 5.310 1.00 10.00 H new ATOM 0 HD22 LEU A 23 9.927 0.914 5.262 1.00 10.00 H new ATOM 0 HD23 LEU A 23 11.677 1.156 5.047 1.00 10.00 H new ATOM 392 N LYS A 24 11.484 -1.837 0.597 1.00 10.00 N ATOM 393 CA LYS A 24 12.383 -2.958 0.183 1.00 10.00 C ATOM 394 C LYS A 24 12.977 -2.669 -1.203 1.00 10.00 C ATOM 395 O LYS A 24 14.147 -2.894 -1.444 1.00 10.00 O ATOM 396 CB LYS A 24 11.483 -4.196 0.136 1.00 10.00 C ATOM 397 CG LYS A 24 12.343 -5.458 0.217 1.00 10.00 C ATOM 398 CD LYS A 24 11.515 -6.671 -0.218 1.00 10.00 C ATOM 399 CE LYS A 24 11.997 -7.920 0.528 1.00 10.00 C ATOM 400 NZ LYS A 24 13.298 -8.281 -0.109 1.00 10.00 N ATOM 0 H LYS A 24 10.501 -2.088 0.699 1.00 10.00 H new ATOM 0 HA LYS A 24 13.220 -3.093 0.868 1.00 10.00 H new ATOM 0 HB2 LYS A 24 10.773 -4.174 0.963 1.00 10.00 H new ATOM 0 HB3 LYS A 24 10.900 -4.199 -0.785 1.00 10.00 H new ATOM 0 HG2 LYS A 24 13.220 -5.355 -0.422 1.00 10.00 H new ATOM 0 HG3 LYS A 24 12.706 -5.599 1.235 1.00 10.00 H new ATOM 0 HD2 LYS A 24 10.459 -6.496 -0.010 1.00 10.00 H new ATOM 0 HD3 LYS A 24 11.608 -6.820 -1.294 1.00 10.00 H new ATOM 0 HE2 LYS A 24 12.122 -7.719 1.592 1.00 10.00 H new ATOM 0 HE3 LYS A 24 11.277 -8.733 0.440 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 13.218 -9.217 -0.555 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 13.539 -7.573 -0.831 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 14.044 -8.305 0.615 1.00 10.00 H new ATOM 414 N ALA A 25 12.173 -2.164 -2.109 1.00 10.00 N ATOM 415 CA ALA A 25 12.677 -1.845 -3.481 1.00 10.00 C ATOM 416 C ALA A 25 13.729 -0.729 -3.420 1.00 10.00 C ATOM 417 O ALA A 25 14.688 -0.733 -4.166 1.00 10.00 O ATOM 418 CB ALA A 25 11.446 -1.378 -4.262 1.00 10.00 C ATOM 0 H ALA A 25 11.186 -1.959 -1.955 1.00 10.00 H new ATOM 0 HA ALA A 25 13.155 -2.705 -3.950 1.00 10.00 H new ATOM 0 HB1 ALA A 25 11.736 -1.125 -5.282 1.00 10.00 H new ATOM 0 HB2 ALA A 25 10.704 -2.176 -4.283 1.00 10.00 H new ATOM 0 HB3 ALA A 25 11.020 -0.500 -3.778 1.00 10.00 H new ATOM 424 N LYS A 26 13.557 0.222 -2.530 1.00 10.00 N ATOM 425 CA LYS A 26 14.552 1.336 -2.414 1.00 10.00 C ATOM 426 C LYS A 26 15.872 0.819 -1.823 1.00 10.00 C ATOM 427 O LYS A 26 16.933 1.337 -2.115 1.00 10.00 O ATOM 428 CB LYS A 26 13.906 2.358 -1.472 1.00 10.00 C ATOM 429 CG LYS A 26 13.133 3.398 -2.291 1.00 10.00 C ATOM 430 CD LYS A 26 13.681 4.799 -1.995 1.00 10.00 C ATOM 431 CE LYS A 26 14.762 5.158 -3.021 1.00 10.00 C ATOM 432 NZ LYS A 26 14.788 6.649 -3.057 1.00 10.00 N ATOM 0 H LYS A 26 12.772 0.274 -1.881 1.00 10.00 H new ATOM 0 HA LYS A 26 14.790 1.771 -3.385 1.00 10.00 H new ATOM 0 HB2 LYS A 26 13.233 1.854 -0.779 1.00 10.00 H new ATOM 0 HB3 LYS A 26 14.672 2.849 -0.872 1.00 10.00 H new ATOM 0 HG2 LYS A 26 13.224 3.178 -3.355 1.00 10.00 H new ATOM 0 HG3 LYS A 26 12.072 3.353 -2.046 1.00 10.00 H new ATOM 0 HD2 LYS A 26 12.874 5.531 -2.031 1.00 10.00 H new ATOM 0 HD3 LYS A 26 14.096 4.832 -0.988 1.00 10.00 H new ATOM 0 HE2 LYS A 26 15.731 4.754 -2.729 1.00 10.00 H new ATOM 0 HE3 LYS A 26 14.527 4.745 -4.002 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 15.506 6.967 -3.739 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 13.855 7.006 -3.345 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 15.022 7.015 -2.112 1.00 10.00 H new ATOM 446 N LEU A 27 15.813 -0.198 -0.996 1.00 10.00 N ATOM 447 CA LEU A 27 17.060 -0.751 -0.386 1.00 10.00 C ATOM 448 C LEU A 27 17.377 -2.130 -0.987 1.00 10.00 C ATOM 449 O LEU A 27 17.647 -3.082 -0.277 1.00 10.00 O ATOM 450 CB LEU A 27 16.743 -0.864 1.108 1.00 10.00 C ATOM 451 CG LEU A 27 17.719 0.003 1.911 1.00 10.00 C ATOM 452 CD1 LEU A 27 16.933 0.960 2.809 1.00 10.00 C ATOM 453 CD2 LEU A 27 18.607 -0.894 2.777 1.00 10.00 C ATOM 0 H LEU A 27 14.952 -0.669 -0.718 1.00 10.00 H new ATOM 0 HA LEU A 27 17.932 -0.124 -0.570 1.00 10.00 H new ATOM 0 HB2 LEU A 27 15.718 -0.545 1.297 1.00 10.00 H new ATOM 0 HB3 LEU A 27 16.817 -1.903 1.428 1.00 10.00 H new ATOM 0 HG LEU A 27 18.342 0.577 1.225 1.00 10.00 H new ATOM 0 HD11 LEU A 27 17.628 1.576 3.380 1.00 10.00 H new ATOM 0 HD12 LEU A 27 16.301 1.600 2.193 1.00 10.00 H new ATOM 0 HD13 LEU A 27 16.309 0.386 3.495 1.00 10.00 H new ATOM 0 HD21 LEU A 27 19.301 -0.277 3.348 1.00 10.00 H new ATOM 0 HD22 LEU A 27 17.985 -1.469 3.462 1.00 10.00 H new ATOM 0 HD23 LEU A 27 19.169 -1.576 2.138 1.00 10.00 H new ATOM 465 N MET A 28 17.347 -2.240 -2.293 1.00 10.00 N ATOM 466 CA MET A 28 17.643 -3.552 -2.949 1.00 10.00 C ATOM 467 C MET A 28 18.783 -3.396 -3.969 1.00 10.00 C ATOM 468 O MET A 28 18.672 -2.621 -4.902 1.00 10.00 O ATOM 469 CB MET A 28 16.342 -3.948 -3.652 1.00 10.00 C ATOM 470 CG MET A 28 16.271 -5.472 -3.784 1.00 10.00 C ATOM 471 SD MET A 28 15.208 -6.146 -2.481 1.00 10.00 S ATOM 472 CE MET A 28 13.619 -5.735 -3.245 1.00 10.00 C ATOM 0 H MET A 28 17.130 -1.477 -2.934 1.00 10.00 H new ATOM 0 HA MET A 28 17.964 -4.307 -2.231 1.00 10.00 H new ATOM 0 HB2 MET A 28 15.485 -3.582 -3.086 1.00 10.00 H new ATOM 0 HB3 MET A 28 16.294 -3.485 -4.638 1.00 10.00 H new ATOM 0 HG2 MET A 28 15.879 -5.744 -4.764 1.00 10.00 H new ATOM 0 HG3 MET A 28 17.270 -5.901 -3.710 1.00 10.00 H new ATOM 0 HE1 MET A 28 13.090 -5.016 -2.620 1.00 10.00 H new ATOM 0 HE2 MET A 28 13.790 -5.302 -4.230 1.00 10.00 H new ATOM 0 HE3 MET A 28 13.019 -6.639 -3.346 1.00 10.00 H new ATOM 482 N PRO A 29 19.845 -4.142 -3.760 1.00 10.00 N ATOM 483 CA PRO A 29 21.011 -4.084 -4.680 1.00 10.00 C ATOM 484 C PRO A 29 20.713 -4.823 -5.991 1.00 10.00 C ATOM 485 O PRO A 29 19.629 -5.341 -6.188 1.00 10.00 O ATOM 486 CB PRO A 29 22.118 -4.788 -3.902 1.00 10.00 C ATOM 487 CG PRO A 29 21.412 -5.698 -2.945 1.00 10.00 C ATOM 488 CD PRO A 29 20.059 -5.094 -2.661 1.00 10.00 C ATOM 0 HA PRO A 29 21.273 -3.065 -4.965 1.00 10.00 H new ATOM 0 HB2 PRO A 29 22.772 -5.350 -4.569 1.00 10.00 H new ATOM 0 HB3 PRO A 29 22.744 -4.070 -3.373 1.00 10.00 H new ATOM 0 HG2 PRO A 29 21.305 -6.695 -3.372 1.00 10.00 H new ATOM 0 HG3 PRO A 29 21.985 -5.805 -2.024 1.00 10.00 H new ATOM 0 HD2 PRO A 29 19.280 -5.856 -2.639 1.00 10.00 H new ATOM 0 HD3 PRO A 29 20.043 -4.593 -1.693 1.00 10.00 H new ATOM 496 N GLN A 30 21.681 -4.870 -6.882 1.00 10.00 N ATOM 497 CA GLN A 30 21.509 -5.567 -8.203 1.00 10.00 C ATOM 498 C GLN A 30 20.542 -4.794 -9.115 1.00 10.00 C ATOM 499 O GLN A 30 20.937 -4.284 -10.146 1.00 10.00 O ATOM 500 CB GLN A 30 20.962 -6.965 -7.879 1.00 10.00 C ATOM 501 CG GLN A 30 21.658 -8.007 -8.760 1.00 10.00 C ATOM 502 CD GLN A 30 22.309 -9.072 -7.874 1.00 10.00 C ATOM 503 OE1 GLN A 30 23.243 -8.788 -7.149 1.00 10.00 O ATOM 504 NE2 GLN A 30 21.856 -10.296 -7.900 1.00 10.00 N ATOM 0 H GLN A 30 22.599 -4.447 -6.746 1.00 10.00 H new ATOM 0 HA GLN A 30 22.454 -5.628 -8.742 1.00 10.00 H new ATOM 0 HB2 GLN A 30 21.127 -7.196 -6.827 1.00 10.00 H new ATOM 0 HB3 GLN A 30 19.885 -6.993 -8.047 1.00 10.00 H new ATOM 0 HG2 GLN A 30 20.936 -8.470 -9.433 1.00 10.00 H new ATOM 0 HG3 GLN A 30 22.412 -7.526 -9.383 1.00 10.00 H new ATOM 0 HE21 GLN A 30 21.073 -10.537 -8.507 1.00 10.00 H new ATOM 0 HE22 GLN A 30 22.285 -11.011 -7.313 1.00 10.00 H new ATOM 513 N LEU A 31 19.281 -4.708 -8.744 1.00 10.00 N ATOM 514 CA LEU A 31 18.275 -3.973 -9.583 1.00 10.00 C ATOM 515 C LEU A 31 18.152 -4.612 -10.980 1.00 10.00 C ATOM 516 O LEU A 31 18.454 -5.790 -11.105 1.00 10.00 O ATOM 517 CB LEU A 31 18.800 -2.533 -9.677 1.00 10.00 C ATOM 518 CG LEU A 31 17.651 -1.551 -9.434 1.00 10.00 C ATOM 519 CD1 LEU A 31 17.476 -1.331 -7.930 1.00 10.00 C ATOM 520 CD2 LEU A 31 17.970 -0.215 -10.109 1.00 10.00 C ATOM 521 OXT LEU A 31 17.747 -3.917 -11.901 1.00 10.00 O ATOM 0 H LEU A 31 18.905 -5.119 -7.890 1.00 10.00 H new ATOM 0 HA LEU A 31 17.278 -4.009 -9.145 1.00 10.00 H new ATOM 0 HB2 LEU A 31 19.589 -2.374 -8.942 1.00 10.00 H new ATOM 0 HB3 LEU A 31 19.239 -2.359 -10.659 1.00 10.00 H new ATOM 0 HG LEU A 31 16.731 -1.960 -9.851 1.00 10.00 H new ATOM 0 HD11 LEU A 31 16.658 -0.632 -7.757 1.00 10.00 H new ATOM 0 HD12 LEU A 31 17.249 -2.282 -7.447 1.00 10.00 H new ATOM 0 HD13 LEU A 31 18.396 -0.923 -7.512 1.00 10.00 H new ATOM 0 HD21 LEU A 31 17.152 0.484 -9.936 1.00 10.00 H new ATOM 0 HD22 LEU A 31 18.891 0.193 -9.692 1.00 10.00 H new ATOM 0 HD23 LEU A 31 18.095 -0.370 -11.181 1.00 10.00 H new TER 533 LEU A 31