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+ -149:sc= 0.159 (180deg=0.02) USER MOD Single : A 1 SER OG : rot 101:sc= 0.481 USER MOD Single : A 3 SER OG : rot 130:sc= -0.169 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 -111:sc= -0.523 (180deg=-2.31!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -16.250 5.490 -9.569 1.00 10.00 N ATOM 2 CA SER A 1 -16.675 4.146 -9.071 1.00 10.00 C ATOM 3 C SER A 1 -18.051 4.236 -8.397 1.00 10.00 C ATOM 4 O SER A 1 -18.512 5.308 -8.050 1.00 10.00 O ATOM 5 CB SER A 1 -15.605 3.739 -8.053 1.00 10.00 C ATOM 6 OG SER A 1 -15.434 4.784 -7.102 1.00 10.00 O ATOM 0 H1 SER A 1 -15.660 5.375 -10.417 1.00 10.00 H new ATOM 0 H2 SER A 1 -17.091 6.054 -9.806 1.00 10.00 H new ATOM 0 H3 SER A 1 -15.703 5.977 -8.830 1.00 10.00 H new ATOM 0 HA SER A 1 -16.765 3.420 -9.879 1.00 10.00 H new ATOM 0 HB2 SER A 1 -15.899 2.818 -7.549 1.00 10.00 H new ATOM 0 HB3 SER A 1 -14.662 3.537 -8.561 1.00 10.00 H new ATOM 0 HG SER A 1 -15.908 4.555 -6.275 1.00 10.00 H new ATOM 14 N GLY A 2 -18.705 3.116 -8.205 1.00 10.00 N ATOM 15 CA GLY A 2 -20.046 3.130 -7.546 1.00 10.00 C ATOM 16 C GLY A 2 -19.866 3.407 -6.052 1.00 10.00 C ATOM 17 O GLY A 2 -20.384 4.372 -5.523 1.00 10.00 O ATOM 0 H GLY A 2 -18.367 2.193 -8.477 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -20.679 3.895 -7.997 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -20.548 2.174 -7.693 1.00 10.00 H new ATOM 21 N SER A 3 -19.117 2.574 -5.373 1.00 10.00 N ATOM 22 CA SER A 3 -18.884 2.793 -3.914 1.00 10.00 C ATOM 23 C SER A 3 -17.772 3.829 -3.713 1.00 10.00 C ATOM 24 O SER A 3 -16.921 4.011 -4.563 1.00 10.00 O ATOM 25 CB SER A 3 -18.454 1.431 -3.363 1.00 10.00 C ATOM 26 OG SER A 3 -18.288 1.526 -1.953 1.00 10.00 O ATOM 0 H SER A 3 -18.658 1.753 -5.766 1.00 10.00 H new ATOM 0 HA SER A 3 -19.772 3.170 -3.407 1.00 10.00 H new ATOM 0 HB2 SER A 3 -19.203 0.676 -3.603 1.00 10.00 H new ATOM 0 HB3 SER A 3 -17.521 1.115 -3.830 1.00 10.00 H new ATOM 0 HG SER A 3 -18.778 0.798 -1.516 1.00 10.00 H new ATOM 32 N TRP A 4 -17.777 4.508 -2.596 1.00 10.00 N ATOM 33 CA TRP A 4 -16.723 5.533 -2.333 1.00 10.00 C ATOM 34 C TRP A 4 -15.795 5.073 -1.201 1.00 10.00 C ATOM 35 O TRP A 4 -14.595 5.247 -1.269 1.00 10.00 O ATOM 36 CB TRP A 4 -17.483 6.799 -1.928 1.00 10.00 C ATOM 37 CG TRP A 4 -16.799 7.992 -2.514 1.00 10.00 C ATOM 38 CD1 TRP A 4 -17.147 8.596 -3.672 1.00 10.00 C ATOM 39 CD2 TRP A 4 -15.654 8.730 -1.995 1.00 10.00 C ATOM 40 NE1 TRP A 4 -16.290 9.658 -3.898 1.00 10.00 N ATOM 41 CE2 TRP A 4 -15.354 9.781 -2.891 1.00 10.00 C ATOM 42 CE3 TRP A 4 -14.858 8.589 -0.845 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -14.299 10.664 -2.654 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -13.795 9.476 -0.603 1.00 10.00 C ATOM 45 CH2 TRP A 4 -13.517 10.511 -1.506 1.00 10.00 C ATOM 0 H TRP A 4 -18.467 4.397 -1.853 1.00 10.00 H new ATOM 0 HA TRP A 4 -16.092 5.701 -3.206 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -18.514 6.747 -2.279 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -17.520 6.883 -0.842 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -17.961 8.298 -4.316 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -16.343 10.274 -4.709 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -15.064 7.794 -0.143 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -14.089 11.460 -3.353 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -13.189 9.359 0.283 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -12.699 11.190 -1.315 1.00 10.00 H new ATOM 56 N LEU A 5 -16.342 4.492 -0.160 1.00 10.00 N ATOM 57 CA LEU A 5 -15.487 4.024 0.976 1.00 10.00 C ATOM 58 C LEU A 5 -14.904 2.640 0.669 1.00 10.00 C ATOM 59 O LEU A 5 -13.705 2.442 0.731 1.00 10.00 O ATOM 60 CB LEU A 5 -16.422 3.960 2.189 1.00 10.00 C ATOM 61 CG LEU A 5 -16.424 5.312 2.908 1.00 10.00 C ATOM 62 CD1 LEU A 5 -17.717 5.462 3.712 1.00 10.00 C ATOM 63 CD2 LEU A 5 -15.224 5.388 3.855 1.00 10.00 C ATOM 0 H LEU A 5 -17.342 4.322 -0.048 1.00 10.00 H new ATOM 0 HA LEU A 5 -14.643 4.690 1.153 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -17.432 3.705 1.869 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -16.096 3.175 2.871 1.00 10.00 H new ATOM 0 HG LEU A 5 -16.359 6.114 2.172 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -17.718 6.425 4.224 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -18.572 5.408 3.039 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -17.783 4.660 4.447 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -15.225 6.350 4.367 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -15.289 4.586 4.590 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -14.302 5.282 3.283 1.00 10.00 H new ATOM 75 N ARG A 6 -15.740 1.685 0.336 1.00 10.00 N ATOM 76 CA ARG A 6 -15.233 0.309 0.022 1.00 10.00 C ATOM 77 C ARG A 6 -14.276 0.347 -1.177 1.00 10.00 C ATOM 78 O ARG A 6 -13.299 -0.376 -1.219 1.00 10.00 O ATOM 79 CB ARG A 6 -16.482 -0.513 -0.315 1.00 10.00 C ATOM 80 CG ARG A 6 -16.173 -2.005 -0.160 1.00 10.00 C ATOM 81 CD ARG A 6 -17.448 -2.822 -0.401 1.00 10.00 C ATOM 82 NE ARG A 6 -17.171 -3.628 -1.625 1.00 10.00 N ATOM 83 CZ ARG A 6 -18.089 -3.760 -2.545 1.00 10.00 C ATOM 84 NH1 ARG A 6 -18.241 -2.831 -3.452 1.00 10.00 N ATOM 85 NH2 ARG A 6 -18.854 -4.821 -2.556 1.00 10.00 N ATOM 0 H ARG A 6 -16.751 1.798 0.268 1.00 10.00 H new ATOM 0 HA ARG A 6 -14.676 -0.118 0.856 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -17.304 -0.231 0.344 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -16.804 -0.302 -1.335 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -15.399 -2.302 -0.868 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -15.785 -2.204 0.839 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -17.671 -3.464 0.451 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -18.311 -2.172 -0.545 1.00 10.00 H new ATOM 0 HE ARG A 6 -16.263 -4.077 -1.744 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -17.643 -2.005 -3.441 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -18.957 -2.933 -4.171 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -18.733 -5.544 -1.847 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -19.571 -4.925 -3.274 1.00 10.00 H new ATOM 99 N ASP A 7 -14.549 1.188 -2.146 1.00 10.00 N ATOM 100 CA ASP A 7 -13.656 1.281 -3.345 1.00 10.00 C ATOM 101 C ASP A 7 -12.261 1.781 -2.941 1.00 10.00 C ATOM 102 O ASP A 7 -11.260 1.283 -3.415 1.00 10.00 O ATOM 103 CB ASP A 7 -14.338 2.284 -4.280 1.00 10.00 C ATOM 104 CG ASP A 7 -13.528 2.412 -5.572 1.00 10.00 C ATOM 105 OD1 ASP A 7 -13.603 1.507 -6.388 1.00 10.00 O ATOM 106 OD2 ASP A 7 -12.847 3.413 -5.724 1.00 10.00 O ATOM 0 H ASP A 7 -15.353 1.815 -2.158 1.00 10.00 H new ATOM 0 HA ASP A 7 -13.515 0.312 -3.823 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -15.352 1.955 -4.506 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -14.419 3.255 -3.792 1.00 10.00 H new ATOM 111 N ILE A 8 -12.188 2.755 -2.069 1.00 10.00 N ATOM 112 CA ILE A 8 -10.852 3.272 -1.638 1.00 10.00 C ATOM 113 C ILE A 8 -10.242 2.340 -0.579 1.00 10.00 C ATOM 114 O ILE A 8 -9.044 2.133 -0.548 1.00 10.00 O ATOM 115 CB ILE A 8 -11.125 4.668 -1.058 1.00 10.00 C ATOM 116 CG1 ILE A 8 -11.439 5.638 -2.204 1.00 10.00 C ATOM 117 CG2 ILE A 8 -9.890 5.169 -0.296 1.00 10.00 C ATOM 118 CD1 ILE A 8 -12.027 6.933 -1.641 1.00 10.00 C ATOM 0 H ILE A 8 -12.991 3.213 -1.638 1.00 10.00 H new ATOM 0 HA ILE A 8 -10.139 3.318 -2.461 1.00 10.00 H new ATOM 0 HB ILE A 8 -11.972 4.614 -0.374 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -10.532 5.855 -2.768 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -12.144 5.180 -2.898 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -10.091 6.159 0.112 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -9.661 4.481 0.518 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -9.040 5.223 -0.976 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -12.248 7.618 -2.459 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -12.945 6.710 -1.097 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -11.308 7.395 -0.965 1.00 10.00 H new ATOM 130 N TRP A 9 -11.059 1.776 0.282 1.00 10.00 N ATOM 131 CA TRP A 9 -10.533 0.855 1.342 1.00 10.00 C ATOM 132 C TRP A 9 -9.747 -0.301 0.709 1.00 10.00 C ATOM 133 O TRP A 9 -8.626 -0.577 1.095 1.00 10.00 O ATOM 134 CB TRP A 9 -11.771 0.327 2.071 1.00 10.00 C ATOM 135 CG TRP A 9 -11.382 -0.140 3.438 1.00 10.00 C ATOM 136 CD1 TRP A 9 -11.519 -1.405 3.897 1.00 10.00 C ATOM 137 CD2 TRP A 9 -10.793 0.630 4.527 1.00 10.00 C ATOM 138 NE1 TRP A 9 -11.053 -1.460 5.197 1.00 10.00 N ATOM 139 CE2 TRP A 9 -10.595 -0.231 5.631 1.00 10.00 C ATOM 140 CE3 TRP A 9 -10.417 1.978 4.661 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -10.044 0.228 6.827 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -9.861 2.444 5.863 1.00 10.00 C ATOM 143 CH2 TRP A 9 -9.675 1.571 6.944 1.00 10.00 C ATOM 0 H TRP A 9 -12.069 1.915 0.296 1.00 10.00 H new ATOM 0 HA TRP A 9 -9.850 1.366 2.021 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -12.525 1.110 2.143 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.216 -0.493 1.508 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -11.926 -2.236 3.339 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -11.048 -2.306 5.767 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -10.557 2.659 3.835 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -9.903 -0.449 7.657 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -9.575 3.481 5.955 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -9.247 1.936 7.866 1.00 10.00 H new ATOM 154 N ASP A 10 -10.322 -0.971 -0.261 1.00 10.00 N ATOM 155 CA ASP A 10 -9.603 -2.104 -0.924 1.00 10.00 C ATOM 156 C ASP A 10 -8.285 -1.600 -1.529 1.00 10.00 C ATOM 157 O ASP A 10 -7.248 -2.217 -1.375 1.00 10.00 O ATOM 158 CB ASP A 10 -10.555 -2.603 -2.022 1.00 10.00 C ATOM 159 CG ASP A 10 -10.631 -4.133 -1.989 1.00 10.00 C ATOM 160 OD1 ASP A 10 -10.902 -4.674 -0.928 1.00 10.00 O ATOM 161 OD2 ASP A 10 -10.421 -4.740 -3.027 1.00 10.00 O ATOM 0 H ASP A 10 -11.257 -0.782 -0.622 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.350 -2.902 -0.226 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.548 -2.177 -1.876 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -10.205 -2.268 -2.999 1.00 10.00 H new ATOM 166 N TRP A 11 -8.320 -0.472 -2.200 1.00 10.00 N ATOM 167 CA TRP A 11 -7.070 0.088 -2.803 1.00 10.00 C ATOM 168 C TRP A 11 -6.039 0.391 -1.706 1.00 10.00 C ATOM 169 O TRP A 11 -4.858 0.153 -1.880 1.00 10.00 O ATOM 170 CB TRP A 11 -7.505 1.375 -3.510 1.00 10.00 C ATOM 171 CG TRP A 11 -6.358 1.927 -4.294 1.00 10.00 C ATOM 172 CD1 TRP A 11 -5.965 1.486 -5.512 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.450 3.009 -3.939 1.00 10.00 C ATOM 174 NE1 TRP A 11 -4.875 2.230 -5.926 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.520 3.182 -4.990 1.00 10.00 C ATOM 176 CE3 TRP A 11 -5.346 3.850 -2.816 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -3.521 4.154 -4.930 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -4.341 4.830 -2.752 1.00 10.00 C ATOM 179 CH2 TRP A 11 -3.432 4.981 -3.807 1.00 10.00 C ATOM 0 H TRP A 11 -9.161 0.084 -2.355 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.598 -0.611 -3.494 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.347 1.172 -4.172 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -7.845 2.108 -2.778 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -6.427 0.684 -6.069 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -4.392 2.093 -6.814 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -6.043 3.742 -1.998 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -2.822 4.266 -5.745 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -4.269 5.470 -1.885 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -2.662 5.737 -3.753 1.00 10.00 H new ATOM 190 N ILE A 12 -6.473 0.902 -0.576 1.00 10.00 N ATOM 191 CA ILE A 12 -5.510 1.199 0.535 1.00 10.00 C ATOM 192 C ILE A 12 -4.799 -0.098 0.945 1.00 10.00 C ATOM 193 O ILE A 12 -3.602 -0.119 1.156 1.00 10.00 O ATOM 194 CB ILE A 12 -6.364 1.748 1.688 1.00 10.00 C ATOM 195 CG1 ILE A 12 -6.827 3.169 1.349 1.00 10.00 C ATOM 196 CG2 ILE A 12 -5.537 1.784 2.979 1.00 10.00 C ATOM 197 CD1 ILE A 12 -8.084 3.506 2.155 1.00 10.00 C ATOM 0 H ILE A 12 -7.448 1.125 -0.376 1.00 10.00 H new ATOM 0 HA ILE A 12 -4.742 1.916 0.245 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.229 1.101 1.830 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.036 3.884 1.575 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.034 3.250 0.282 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -6.149 2.174 3.792 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -5.205 0.776 3.226 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -4.669 2.428 2.837 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -8.412 4.517 1.912 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -8.876 2.799 1.907 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -7.861 3.443 3.220 1.00 10.00 H new ATOM 209 N CYS A 13 -5.533 -1.185 1.030 1.00 10.00 N ATOM 210 CA CYS A 13 -4.910 -2.493 1.396 1.00 10.00 C ATOM 211 C CYS A 13 -3.950 -2.930 0.281 1.00 10.00 C ATOM 212 O CYS A 13 -2.868 -3.424 0.540 1.00 10.00 O ATOM 213 CB CYS A 13 -6.078 -3.475 1.521 1.00 10.00 C ATOM 214 SG CYS A 13 -5.496 -5.018 2.268 1.00 10.00 S ATOM 0 H CYS A 13 -6.538 -1.219 0.861 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.334 -2.440 2.320 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -6.869 -3.039 2.131 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.506 -3.674 0.539 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.489 -5.850 2.375 1.00 10.00 H new ATOM 220 N GLU A 14 -4.335 -2.726 -0.961 1.00 10.00 N ATOM 221 CA GLU A 14 -3.447 -3.101 -2.100 1.00 10.00 C ATOM 222 C GLU A 14 -2.144 -2.299 -2.015 1.00 10.00 C ATOM 223 O GLU A 14 -1.060 -2.840 -2.131 1.00 10.00 O ATOM 224 CB GLU A 14 -4.238 -2.721 -3.355 1.00 10.00 C ATOM 225 CG GLU A 14 -5.122 -3.899 -3.785 1.00 10.00 C ATOM 226 CD GLU A 14 -6.474 -3.381 -4.291 1.00 10.00 C ATOM 227 OE1 GLU A 14 -6.475 -2.538 -5.175 1.00 10.00 O ATOM 228 OE2 GLU A 14 -7.487 -3.840 -3.789 1.00 10.00 O ATOM 0 H GLU A 14 -5.229 -2.315 -1.229 1.00 10.00 H new ATOM 0 HA GLU A 14 -3.177 -4.157 -2.099 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -4.855 -1.844 -3.156 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -3.554 -2.454 -4.161 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -4.625 -4.470 -4.569 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -5.274 -4.576 -2.945 1.00 10.00 H new ATOM 235 N VAL A 15 -2.254 -1.015 -1.787 1.00 10.00 N ATOM 236 CA VAL A 15 -1.035 -0.158 -1.661 1.00 10.00 C ATOM 237 C VAL A 15 -0.268 -0.544 -0.392 1.00 10.00 C ATOM 238 O VAL A 15 0.945 -0.528 -0.368 1.00 10.00 O ATOM 239 CB VAL A 15 -1.550 1.285 -1.561 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.371 2.236 -1.330 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.263 1.671 -2.861 1.00 10.00 C ATOM 0 H VAL A 15 -3.140 -0.520 -1.682 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.356 -0.278 -2.506 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.249 1.358 -0.728 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -0.738 3.260 -1.259 1.00 10.00 H new ATOM 0 HG12 VAL A 15 0.137 1.968 -0.404 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.328 2.158 -2.163 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.627 2.696 -2.786 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.566 1.594 -3.695 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.104 0.998 -3.028 1.00 10.00 H new ATOM 251 N LEU A 16 -0.973 -0.898 0.660 1.00 10.00 N ATOM 252 CA LEU A 16 -0.289 -1.300 1.929 1.00 10.00 C ATOM 253 C LEU A 16 0.642 -2.490 1.662 1.00 10.00 C ATOM 254 O LEU A 16 1.749 -2.544 2.164 1.00 10.00 O ATOM 255 CB LEU A 16 -1.418 -1.702 2.889 1.00 10.00 C ATOM 256 CG LEU A 16 -1.277 -0.946 4.216 1.00 10.00 C ATOM 257 CD1 LEU A 16 0.121 -1.173 4.797 1.00 10.00 C ATOM 258 CD2 LEU A 16 -1.498 0.552 3.983 1.00 10.00 C ATOM 0 H LEU A 16 -1.992 -0.925 0.692 1.00 10.00 H new ATOM 0 HA LEU A 16 0.322 -0.498 2.343 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.385 -1.482 2.437 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.387 -2.777 3.069 1.00 10.00 H new ATOM 0 HG LEU A 16 -2.023 -1.317 4.919 1.00 10.00 H new ATOM 0 HD11 LEU A 16 0.215 -0.634 5.739 1.00 10.00 H new ATOM 0 HD12 LEU A 16 0.274 -2.238 4.972 1.00 10.00 H new ATOM 0 HD13 LEU A 16 0.871 -0.809 4.094 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -1.397 1.086 4.928 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -0.757 0.923 3.275 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -2.498 0.714 3.580 1.00 10.00 H new ATOM 270 N SER A 17 0.205 -3.431 0.857 1.00 10.00 N ATOM 271 CA SER A 17 1.065 -4.609 0.531 1.00 10.00 C ATOM 272 C SER A 17 2.356 -4.129 -0.139 1.00 10.00 C ATOM 273 O SER A 17 3.441 -4.575 0.189 1.00 10.00 O ATOM 274 CB SER A 17 0.236 -5.457 -0.438 1.00 10.00 C ATOM 275 OG SER A 17 0.757 -6.779 -0.471 1.00 10.00 O ATOM 0 H SER A 17 -0.713 -3.432 0.412 1.00 10.00 H new ATOM 0 HA SER A 17 1.349 -5.178 1.416 1.00 10.00 H new ATOM 0 HB2 SER A 17 -0.808 -5.473 -0.124 1.00 10.00 H new ATOM 0 HB3 SER A 17 0.262 -5.019 -1.436 1.00 10.00 H new ATOM 0 HG SER A 17 0.227 -7.324 -1.089 1.00 10.00 H new ATOM 281 N ASP A 18 2.242 -3.203 -1.062 1.00 10.00 N ATOM 282 CA ASP A 18 3.458 -2.666 -1.743 1.00 10.00 C ATOM 283 C ASP A 18 4.204 -1.719 -0.799 1.00 10.00 C ATOM 284 O ASP A 18 5.409 -1.642 -0.833 1.00 10.00 O ATOM 285 CB ASP A 18 2.944 -1.910 -2.973 1.00 10.00 C ATOM 286 CG ASP A 18 4.114 -1.210 -3.676 1.00 10.00 C ATOM 287 OD1 ASP A 18 5.034 -1.898 -4.089 1.00 10.00 O ATOM 288 OD2 ASP A 18 4.070 0.006 -3.787 1.00 10.00 O ATOM 0 H ASP A 18 1.359 -2.798 -1.371 1.00 10.00 H new ATOM 0 HA ASP A 18 4.154 -3.456 -2.026 1.00 10.00 H new ATOM 0 HB2 ASP A 18 2.456 -2.602 -3.659 1.00 10.00 H new ATOM 0 HB3 ASP A 18 2.195 -1.176 -2.674 1.00 10.00 H new ATOM 293 N PHE A 19 3.491 -1.008 0.049 1.00 10.00 N ATOM 294 CA PHE A 19 4.156 -0.068 1.012 1.00 10.00 C ATOM 295 C PHE A 19 5.312 -0.775 1.728 1.00 10.00 C ATOM 296 O PHE A 19 6.378 -0.218 1.906 1.00 10.00 O ATOM 297 CB PHE A 19 3.066 0.311 2.019 1.00 10.00 C ATOM 298 CG PHE A 19 3.232 1.756 2.426 1.00 10.00 C ATOM 299 CD1 PHE A 19 4.096 2.091 3.475 1.00 10.00 C ATOM 300 CD2 PHE A 19 2.523 2.759 1.754 1.00 10.00 C ATOM 301 CE1 PHE A 19 4.250 3.430 3.853 1.00 10.00 C ATOM 302 CE2 PHE A 19 2.679 4.099 2.132 1.00 10.00 C ATOM 303 CZ PHE A 19 3.541 4.434 3.182 1.00 10.00 C ATOM 0 H PHE A 19 2.474 -1.039 0.115 1.00 10.00 H new ATOM 0 HA PHE A 19 4.572 0.805 0.510 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.081 0.158 1.579 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.127 -0.334 2.896 1.00 10.00 H new ATOM 0 HD1 PHE A 19 4.643 1.317 3.992 1.00 10.00 H new ATOM 0 HD2 PHE A 19 1.856 2.500 0.945 1.00 10.00 H new ATOM 0 HE1 PHE A 19 4.916 3.689 4.663 1.00 10.00 H new ATOM 0 HE2 PHE A 19 2.134 4.873 1.613 1.00 10.00 H new ATOM 0 HZ PHE A 19 3.660 5.467 3.475 1.00 10.00 H new ATOM 313 N LYS A 20 5.103 -2.006 2.127 1.00 10.00 N ATOM 314 CA LYS A 20 6.182 -2.776 2.820 1.00 10.00 C ATOM 315 C LYS A 20 7.390 -2.956 1.886 1.00 10.00 C ATOM 316 O LYS A 20 8.529 -2.868 2.307 1.00 10.00 O ATOM 317 CB LYS A 20 5.547 -4.132 3.153 1.00 10.00 C ATOM 318 CG LYS A 20 6.573 -5.031 3.848 1.00 10.00 C ATOM 319 CD LYS A 20 6.837 -6.265 2.983 1.00 10.00 C ATOM 320 CE LYS A 20 7.324 -7.418 3.866 1.00 10.00 C ATOM 321 NZ LYS A 20 8.243 -8.212 3.001 1.00 10.00 N ATOM 0 H LYS A 20 4.227 -2.513 2.002 1.00 10.00 H new ATOM 0 HA LYS A 20 6.547 -2.268 3.712 1.00 10.00 H new ATOM 0 HB2 LYS A 20 4.680 -3.989 3.798 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.190 -4.610 2.241 1.00 10.00 H new ATOM 0 HG2 LYS A 20 7.501 -4.483 4.012 1.00 10.00 H new ATOM 0 HG3 LYS A 20 6.204 -5.333 4.828 1.00 10.00 H new ATOM 0 HD2 LYS A 20 5.927 -6.555 2.458 1.00 10.00 H new ATOM 0 HD3 LYS A 20 7.584 -6.036 2.223 1.00 10.00 H new ATOM 0 HE2 LYS A 20 7.840 -7.045 4.751 1.00 10.00 H new ATOM 0 HE3 LYS A 20 6.489 -8.026 4.216 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 8.616 -9.020 3.540 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 7.723 -8.560 2.170 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 9.032 -7.611 2.689 1.00 10.00 H new ATOM 335 N THR A 21 7.147 -3.200 0.620 1.00 10.00 N ATOM 336 CA THR A 21 8.275 -3.379 -0.349 1.00 10.00 C ATOM 337 C THR A 21 8.763 -2.016 -0.849 1.00 10.00 C ATOM 338 O THR A 21 9.948 -1.796 -0.995 1.00 10.00 O ATOM 339 CB THR A 21 7.694 -4.201 -1.507 1.00 10.00 C ATOM 340 OG1 THR A 21 6.923 -5.277 -0.988 1.00 10.00 O ATOM 341 CG2 THR A 21 8.832 -4.756 -2.367 1.00 10.00 C ATOM 0 H THR A 21 6.214 -3.283 0.215 1.00 10.00 H new ATOM 0 HA THR A 21 9.130 -3.877 0.108 1.00 10.00 H new ATOM 0 HB THR A 21 7.058 -3.561 -2.119 1.00 10.00 H new ATOM 0 HG1 THR A 21 6.551 -5.800 -1.729 1.00 10.00 H new ATOM 0 HG21 THR A 21 8.416 -5.339 -3.188 1.00 10.00 H new ATOM 0 HG22 THR A 21 9.420 -3.931 -2.769 1.00 10.00 H new ATOM 0 HG23 THR A 21 9.472 -5.394 -1.757 1.00 10.00 H new ATOM 349 N TRP A 22 7.859 -1.100 -1.105 1.00 10.00 N ATOM 350 CA TRP A 22 8.267 0.257 -1.585 1.00 10.00 C ATOM 351 C TRP A 22 9.234 0.886 -0.584 1.00 10.00 C ATOM 352 O TRP A 22 10.267 1.411 -0.952 1.00 10.00 O ATOM 353 CB TRP A 22 6.972 1.069 -1.655 1.00 10.00 C ATOM 354 CG TRP A 22 7.115 2.150 -2.676 1.00 10.00 C ATOM 355 CD1 TRP A 22 6.714 2.061 -3.966 1.00 10.00 C ATOM 356 CD2 TRP A 22 7.697 3.477 -2.519 1.00 10.00 C ATOM 357 NE1 TRP A 22 7.014 3.250 -4.609 1.00 10.00 N ATOM 358 CE2 TRP A 22 7.619 4.153 -3.758 1.00 10.00 C ATOM 359 CE3 TRP A 22 8.278 4.152 -1.431 1.00 10.00 C ATOM 360 CZ2 TRP A 22 8.101 5.453 -3.914 1.00 10.00 C ATOM 361 CZ3 TRP A 22 8.764 5.461 -1.583 1.00 10.00 C ATOM 362 CH2 TRP A 22 8.676 6.110 -2.823 1.00 10.00 C ATOM 0 H TRP A 22 6.853 -1.235 -1.001 1.00 10.00 H new ATOM 0 HA TRP A 22 8.771 0.220 -2.551 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.136 0.419 -1.913 1.00 10.00 H new ATOM 0 HB3 TRP A 22 6.749 1.502 -0.680 1.00 10.00 H new ATOM 0 HD1 TRP A 22 6.238 1.204 -4.419 1.00 10.00 H new ATOM 0 HE1 TRP A 22 6.813 3.436 -5.591 1.00 10.00 H new ATOM 0 HE3 TRP A 22 8.351 3.661 -0.472 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 8.030 5.948 -4.871 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 9.208 5.970 -0.740 1.00 10.00 H new ATOM 0 HH2 TRP A 22 9.052 7.116 -2.935 1.00 10.00 H new ATOM 373 N LEU A 23 8.907 0.821 0.684 1.00 10.00 N ATOM 374 CA LEU A 23 9.809 1.401 1.728 1.00 10.00 C ATOM 375 C LEU A 23 11.166 0.684 1.699 1.00 10.00 C ATOM 376 O LEU A 23 12.207 1.309 1.783 1.00 10.00 O ATOM 377 CB LEU A 23 9.097 1.162 3.066 1.00 10.00 C ATOM 378 CG LEU A 23 8.346 2.429 3.498 1.00 10.00 C ATOM 379 CD1 LEU A 23 9.338 3.578 3.696 1.00 10.00 C ATOM 380 CD2 LEU A 23 7.322 2.820 2.426 1.00 10.00 C ATOM 0 H LEU A 23 8.054 0.391 1.041 1.00 10.00 H new ATOM 0 HA LEU A 23 10.001 2.462 1.565 1.00 10.00 H new ATOM 0 HB2 LEU A 23 8.399 0.330 2.972 1.00 10.00 H new ATOM 0 HB3 LEU A 23 9.824 0.883 3.829 1.00 10.00 H new ATOM 0 HG LEU A 23 7.829 2.230 4.437 1.00 10.00 H new ATOM 0 HD11 LEU A 23 8.800 4.475 4.003 1.00 10.00 H new ATOM 0 HD12 LEU A 23 10.060 3.307 4.467 1.00 10.00 H new ATOM 0 HD13 LEU A 23 9.862 3.772 2.760 1.00 10.00 H new ATOM 0 HD21 LEU A 23 6.793 3.720 2.739 1.00 10.00 H new ATOM 0 HD22 LEU A 23 7.836 3.011 1.484 1.00 10.00 H new ATOM 0 HD23 LEU A 23 6.608 2.008 2.291 1.00 10.00 H new ATOM 392 N LYS A 24 11.162 -0.624 1.562 1.00 10.00 N ATOM 393 CA LYS A 24 12.451 -1.382 1.507 1.00 10.00 C ATOM 394 C LYS A 24 13.198 -1.039 0.212 1.00 10.00 C ATOM 395 O LYS A 24 14.410 -0.933 0.196 1.00 10.00 O ATOM 396 CB LYS A 24 12.055 -2.862 1.522 1.00 10.00 C ATOM 397 CG LYS A 24 11.908 -3.341 2.969 1.00 10.00 C ATOM 398 CD LYS A 24 11.323 -4.757 2.985 1.00 10.00 C ATOM 399 CE LYS A 24 12.397 -5.767 2.559 1.00 10.00 C ATOM 400 NZ LYS A 24 13.108 -6.138 3.818 1.00 10.00 N ATOM 0 H LYS A 24 10.321 -1.196 1.486 1.00 10.00 H new ATOM 0 HA LYS A 24 13.111 -1.136 2.339 1.00 10.00 H new ATOM 0 HB2 LYS A 24 11.117 -3.003 0.985 1.00 10.00 H new ATOM 0 HB3 LYS A 24 12.810 -3.456 1.007 1.00 10.00 H new ATOM 0 HG2 LYS A 24 12.878 -3.332 3.466 1.00 10.00 H new ATOM 0 HG3 LYS A 24 11.259 -2.662 3.523 1.00 10.00 H new ATOM 0 HD2 LYS A 24 10.959 -4.999 3.983 1.00 10.00 H new ATOM 0 HD3 LYS A 24 10.468 -4.815 2.311 1.00 10.00 H new ATOM 0 HE2 LYS A 24 11.950 -6.642 2.087 1.00 10.00 H new ATOM 0 HE3 LYS A 24 13.083 -5.330 1.834 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 13.857 -6.827 3.604 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 13.530 -5.287 4.242 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 12.432 -6.559 4.487 1.00 10.00 H new ATOM 414 N ALA A 25 12.478 -0.858 -0.871 1.00 10.00 N ATOM 415 CA ALA A 25 13.132 -0.511 -2.171 1.00 10.00 C ATOM 416 C ALA A 25 13.748 0.894 -2.101 1.00 10.00 C ATOM 417 O ALA A 25 14.802 1.142 -2.655 1.00 10.00 O ATOM 418 CB ALA A 25 12.008 -0.552 -3.210 1.00 10.00 C ATOM 0 H ALA A 25 11.462 -0.936 -0.909 1.00 10.00 H new ATOM 0 HA ALA A 25 13.940 -1.199 -2.419 1.00 10.00 H new ATOM 0 HB1 ALA A 25 12.412 -0.307 -4.192 1.00 10.00 H new ATOM 0 HB2 ALA A 25 11.572 -1.551 -3.235 1.00 10.00 H new ATOM 0 HB3 ALA A 25 11.239 0.173 -2.943 1.00 10.00 H new ATOM 424 N LYS A 26 13.101 1.814 -1.421 1.00 10.00 N ATOM 425 CA LYS A 26 13.657 3.201 -1.311 1.00 10.00 C ATOM 426 C LYS A 26 14.930 3.202 -0.449 1.00 10.00 C ATOM 427 O LYS A 26 15.820 4.004 -0.652 1.00 10.00 O ATOM 428 CB LYS A 26 12.552 4.028 -0.643 1.00 10.00 C ATOM 429 CG LYS A 26 12.582 5.459 -1.187 1.00 10.00 C ATOM 430 CD LYS A 26 12.038 6.422 -0.129 1.00 10.00 C ATOM 431 CE LYS A 26 12.314 7.866 -0.563 1.00 10.00 C ATOM 432 NZ LYS A 26 11.589 8.717 0.425 1.00 10.00 N ATOM 0 H LYS A 26 12.215 1.664 -0.939 1.00 10.00 H new ATOM 0 HA LYS A 26 13.935 3.607 -2.283 1.00 10.00 H new ATOM 0 HB2 LYS A 26 11.579 3.576 -0.835 1.00 10.00 H new ATOM 0 HB3 LYS A 26 12.693 4.036 0.438 1.00 10.00 H new ATOM 0 HG2 LYS A 26 13.602 5.736 -1.455 1.00 10.00 H new ATOM 0 HG3 LYS A 26 11.984 5.526 -2.096 1.00 10.00 H new ATOM 0 HD2 LYS A 26 10.967 6.269 0.002 1.00 10.00 H new ATOM 0 HD3 LYS A 26 12.508 6.224 0.834 1.00 10.00 H new ATOM 0 HE2 LYS A 26 13.383 8.081 -0.559 1.00 10.00 H new ATOM 0 HE3 LYS A 26 11.956 8.048 -1.577 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 11.733 9.720 0.191 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 10.573 8.496 0.394 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 11.955 8.529 1.380 1.00 10.00 H new ATOM 446 N LEU A 27 15.020 2.310 0.510 1.00 10.00 N ATOM 447 CA LEU A 27 16.235 2.259 1.383 1.00 10.00 C ATOM 448 C LEU A 27 17.325 1.395 0.731 1.00 10.00 C ATOM 449 O LEU A 27 18.454 1.822 0.578 1.00 10.00 O ATOM 450 CB LEU A 27 15.759 1.628 2.700 1.00 10.00 C ATOM 451 CG LEU A 27 16.485 2.271 3.890 1.00 10.00 C ATOM 452 CD1 LEU A 27 18.002 2.172 3.696 1.00 10.00 C ATOM 453 CD2 LEU A 27 16.080 3.744 4.005 1.00 10.00 C ATOM 0 H LEU A 27 14.304 1.616 0.725 1.00 10.00 H new ATOM 0 HA LEU A 27 16.668 3.247 1.541 1.00 10.00 H new ATOM 0 HB2 LEU A 27 14.682 1.761 2.807 1.00 10.00 H new ATOM 0 HB3 LEU A 27 15.948 0.555 2.686 1.00 10.00 H new ATOM 0 HG LEU A 27 16.206 1.743 4.802 1.00 10.00 H new ATOM 0 HD11 LEU A 27 18.508 2.631 4.545 1.00 10.00 H new ATOM 0 HD12 LEU A 27 18.292 1.124 3.624 1.00 10.00 H new ATOM 0 HD13 LEU A 27 18.286 2.691 2.781 1.00 10.00 H new ATOM 0 HD21 LEU A 27 16.597 4.198 4.850 1.00 10.00 H new ATOM 0 HD22 LEU A 27 16.352 4.269 3.089 1.00 10.00 H new ATOM 0 HD23 LEU A 27 15.003 3.814 4.157 1.00 10.00 H new ATOM 465 N MET A 28 16.994 0.186 0.346 1.00 10.00 N ATOM 466 CA MET A 28 18.007 -0.708 -0.294 1.00 10.00 C ATOM 467 C MET A 28 17.885 -0.639 -1.824 1.00 10.00 C ATOM 468 O MET A 28 16.867 -1.011 -2.377 1.00 10.00 O ATOM 469 CB MET A 28 17.673 -2.114 0.213 1.00 10.00 C ATOM 470 CG MET A 28 18.804 -3.078 -0.155 1.00 10.00 C ATOM 471 SD MET A 28 20.208 -2.819 0.960 1.00 10.00 S ATOM 472 CE MET A 28 21.510 -2.881 -0.295 1.00 10.00 C ATOM 0 H MET A 28 16.064 -0.220 0.448 1.00 10.00 H new ATOM 0 HA MET A 28 19.029 -0.420 -0.046 1.00 10.00 H new ATOM 0 HB2 MET A 28 17.534 -2.098 1.294 1.00 10.00 H new ATOM 0 HB3 MET A 28 16.735 -2.455 -0.224 1.00 10.00 H new ATOM 0 HG2 MET A 28 18.455 -4.108 -0.084 1.00 10.00 H new ATOM 0 HG3 MET A 28 19.112 -2.916 -1.188 1.00 10.00 H new ATOM 0 HE1 MET A 28 22.101 -3.787 -0.161 1.00 10.00 H new ATOM 0 HE2 MET A 28 21.059 -2.885 -1.287 1.00 10.00 H new ATOM 0 HE3 MET A 28 22.155 -2.008 -0.193 1.00 10.00 H new ATOM 482 N PRO A 29 18.932 -0.163 -2.459 1.00 10.00 N ATOM 483 CA PRO A 29 18.940 -0.046 -3.942 1.00 10.00 C ATOM 484 C PRO A 29 19.089 -1.422 -4.607 1.00 10.00 C ATOM 485 O PRO A 29 19.120 -2.445 -3.947 1.00 10.00 O ATOM 486 CB PRO A 29 20.160 0.826 -4.229 1.00 10.00 C ATOM 487 CG PRO A 29 21.064 0.634 -3.052 1.00 10.00 C ATOM 488 CD PRO A 29 20.192 0.310 -1.866 1.00 10.00 C ATOM 0 HA PRO A 29 18.013 0.374 -4.333 1.00 10.00 H new ATOM 0 HB2 PRO A 29 20.650 0.525 -5.155 1.00 10.00 H new ATOM 0 HB3 PRO A 29 19.878 1.873 -4.343 1.00 10.00 H new ATOM 0 HG2 PRO A 29 21.773 -0.172 -3.239 1.00 10.00 H new ATOM 0 HG3 PRO A 29 21.648 1.535 -2.865 1.00 10.00 H new ATOM 0 HD2 PRO A 29 20.646 -0.454 -1.235 1.00 10.00 H new ATOM 0 HD3 PRO A 29 20.032 1.187 -1.239 1.00 10.00 H new ATOM 496 N GLN A 30 19.182 -1.447 -5.913 1.00 10.00 N ATOM 497 CA GLN A 30 19.330 -2.747 -6.637 1.00 10.00 C ATOM 498 C GLN A 30 20.468 -2.662 -7.663 1.00 10.00 C ATOM 499 O GLN A 30 20.664 -1.645 -8.303 1.00 10.00 O ATOM 500 CB GLN A 30 17.986 -2.963 -7.338 1.00 10.00 C ATOM 501 CG GLN A 30 17.845 -4.433 -7.740 1.00 10.00 C ATOM 502 CD GLN A 30 16.488 -4.651 -8.412 1.00 10.00 C ATOM 503 OE1 GLN A 30 15.587 -5.209 -7.820 1.00 10.00 O ATOM 504 NE2 GLN A 30 16.300 -4.228 -9.633 1.00 10.00 N ATOM 0 H GLN A 30 19.162 -0.621 -6.511 1.00 10.00 H new ATOM 0 HA GLN A 30 19.576 -3.568 -5.964 1.00 10.00 H new ATOM 0 HB2 GLN A 30 17.169 -2.677 -6.675 1.00 10.00 H new ATOM 0 HB3 GLN A 30 17.918 -2.326 -8.220 1.00 10.00 H new ATOM 0 HG2 GLN A 30 18.649 -4.714 -8.421 1.00 10.00 H new ATOM 0 HG3 GLN A 30 17.934 -5.071 -6.861 1.00 10.00 H new ATOM 0 HE21 GLN A 30 17.056 -3.759 -10.132 1.00 10.00 H new ATOM 0 HE22 GLN A 30 15.397 -4.367 -10.087 1.00 10.00 H new ATOM 513 N LEU A 31 21.217 -3.726 -7.820 1.00 10.00 N ATOM 514 CA LEU A 31 22.346 -3.719 -8.801 1.00 10.00 C ATOM 515 C LEU A 31 22.465 -5.086 -9.490 1.00 10.00 C ATOM 516 O LEU A 31 22.628 -5.103 -10.699 1.00 10.00 O ATOM 517 CB LEU A 31 23.596 -3.425 -7.966 1.00 10.00 C ATOM 518 CG LEU A 31 24.699 -2.864 -8.869 1.00 10.00 C ATOM 519 CD1 LEU A 31 25.354 -1.660 -8.190 1.00 10.00 C ATOM 520 CD2 LEU A 31 25.754 -3.946 -9.117 1.00 10.00 C ATOM 521 OXT LEU A 31 22.394 -6.090 -8.798 1.00 10.00 O ATOM 0 H LEU A 31 21.095 -4.601 -7.310 1.00 10.00 H new ATOM 0 HA LEU A 31 22.200 -2.981 -9.590 1.00 10.00 H new ATOM 0 HB2 LEU A 31 23.359 -2.710 -7.178 1.00 10.00 H new ATOM 0 HB3 LEU A 31 23.941 -4.336 -7.477 1.00 10.00 H new ATOM 0 HG LEU A 31 24.266 -2.552 -9.819 1.00 10.00 H new ATOM 0 HD11 LEU A 31 26.139 -1.262 -8.833 1.00 10.00 H new ATOM 0 HD12 LEU A 31 24.604 -0.889 -8.013 1.00 10.00 H new ATOM 0 HD13 LEU A 31 25.787 -1.970 -7.239 1.00 10.00 H new ATOM 0 HD21 LEU A 31 26.539 -3.548 -9.759 1.00 10.00 H new ATOM 0 HD22 LEU A 31 26.186 -4.258 -8.166 1.00 10.00 H new ATOM 0 HD23 LEU A 31 25.288 -4.804 -9.602 1.00 10.00 H new TER 533 LEU A 31