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+ 166:sc= 0.1 (180deg=0.0119) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0509 USER MOD Single : A 3 SER OG : rot 180:sc= 0.0252 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 10:sc= -0.537 USER MOD Single : A 24 LYS NZ :NH3+ -144:sc= -0.151 (180deg=-1.58!) USER MOD Single : A 26 LYS NZ :NH3+ -96:sc= -0.0636 (180deg=-0.282) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 1.16 K(o=1.2,f=-0.031) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -25.879 6.992 -7.938 1.00 10.00 N ATOM 2 CA SER A 1 -25.736 5.996 -6.832 1.00 10.00 C ATOM 3 C SER A 1 -24.569 6.382 -5.914 1.00 10.00 C ATOM 4 O SER A 1 -24.739 6.538 -4.720 1.00 10.00 O ATOM 5 CB SER A 1 -25.460 4.657 -7.522 1.00 10.00 C ATOM 6 OG SER A 1 -26.470 4.410 -8.492 1.00 10.00 O ATOM 0 H1 SER A 1 -26.502 6.605 -8.675 1.00 10.00 H new ATOM 0 H2 SER A 1 -26.290 7.871 -7.563 1.00 10.00 H new ATOM 0 H3 SER A 1 -24.944 7.194 -8.346 1.00 10.00 H new ATOM 0 HA SER A 1 -26.628 5.950 -6.207 1.00 10.00 H new ATOM 0 HB2 SER A 1 -24.480 4.676 -7.998 1.00 10.00 H new ATOM 0 HB3 SER A 1 -25.442 3.853 -6.786 1.00 10.00 H new ATOM 0 HG SER A 1 -26.295 3.554 -8.936 1.00 10.00 H new ATOM 14 N GLY A 2 -23.387 6.539 -6.462 1.00 10.00 N ATOM 15 CA GLY A 2 -22.211 6.914 -5.622 1.00 10.00 C ATOM 16 C GLY A 2 -21.469 5.650 -5.185 1.00 10.00 C ATOM 17 O GLY A 2 -21.580 5.216 -4.054 1.00 10.00 O ATOM 0 H GLY A 2 -23.189 6.423 -7.456 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -21.542 7.564 -6.185 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -22.540 7.475 -4.748 1.00 10.00 H new ATOM 21 N SER A 3 -20.710 5.056 -6.073 1.00 10.00 N ATOM 22 CA SER A 3 -19.954 3.817 -5.715 1.00 10.00 C ATOM 23 C SER A 3 -18.448 4.113 -5.656 1.00 10.00 C ATOM 24 O SER A 3 -17.645 3.433 -6.268 1.00 10.00 O ATOM 25 CB SER A 3 -20.272 2.816 -6.834 1.00 10.00 C ATOM 26 OG SER A 3 -20.158 3.461 -8.099 1.00 10.00 O ATOM 0 H SER A 3 -20.582 5.377 -7.033 1.00 10.00 H new ATOM 0 HA SER A 3 -20.236 3.428 -4.736 1.00 10.00 H new ATOM 0 HB2 SER A 3 -19.588 1.969 -6.783 1.00 10.00 H new ATOM 0 HB3 SER A 3 -21.279 2.420 -6.706 1.00 10.00 H new ATOM 0 HG SER A 3 -20.360 2.820 -8.812 1.00 10.00 H new ATOM 32 N TRP A 4 -18.062 5.126 -4.917 1.00 10.00 N ATOM 33 CA TRP A 4 -16.611 5.473 -4.812 1.00 10.00 C ATOM 34 C TRP A 4 -16.085 5.167 -3.401 1.00 10.00 C ATOM 35 O TRP A 4 -15.277 5.897 -2.855 1.00 10.00 O ATOM 36 CB TRP A 4 -16.545 6.974 -5.107 1.00 10.00 C ATOM 37 CG TRP A 4 -15.670 7.210 -6.297 1.00 10.00 C ATOM 38 CD1 TRP A 4 -16.114 7.445 -7.552 1.00 10.00 C ATOM 39 CD2 TRP A 4 -14.216 7.232 -6.364 1.00 10.00 C ATOM 40 NE1 TRP A 4 -15.024 7.613 -8.387 1.00 10.00 N ATOM 41 CE2 TRP A 4 -13.831 7.491 -7.701 1.00 10.00 C ATOM 42 CE3 TRP A 4 -13.203 7.057 -5.406 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -12.489 7.572 -8.073 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -11.851 7.138 -5.776 1.00 10.00 C ATOM 45 CH2 TRP A 4 -11.496 7.395 -7.106 1.00 10.00 C ATOM 0 H TRP A 4 -18.690 5.727 -4.383 1.00 10.00 H new ATOM 0 HA TRP A 4 -15.996 4.895 -5.502 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -17.546 7.363 -5.295 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -16.153 7.509 -4.242 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -17.150 7.494 -7.853 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -15.093 7.804 -9.387 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -13.466 6.859 -4.378 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -12.220 7.770 -9.100 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -11.081 7.001 -5.031 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -10.454 7.456 -7.384 1.00 10.00 H new ATOM 56 N LEU A 5 -16.535 4.087 -2.809 1.00 10.00 N ATOM 57 CA LEU A 5 -16.063 3.722 -1.437 1.00 10.00 C ATOM 58 C LEU A 5 -15.405 2.335 -1.448 1.00 10.00 C ATOM 59 O LEU A 5 -14.343 2.143 -0.885 1.00 10.00 O ATOM 60 CB LEU A 5 -17.327 3.715 -0.571 1.00 10.00 C ATOM 61 CG LEU A 5 -16.984 4.194 0.843 1.00 10.00 C ATOM 62 CD1 LEU A 5 -18.202 4.884 1.460 1.00 10.00 C ATOM 63 CD2 LEU A 5 -16.588 2.994 1.708 1.00 10.00 C ATOM 0 H LEU A 5 -17.210 3.441 -3.218 1.00 10.00 H new ATOM 0 HA LEU A 5 -15.315 4.420 -1.060 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -18.085 4.363 -1.011 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -17.749 2.711 -0.533 1.00 10.00 H new ATOM 0 HG LEU A 5 -16.153 4.898 0.794 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -17.957 5.224 2.466 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -18.485 5.739 0.847 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -19.033 4.181 1.508 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -16.344 3.335 2.714 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -17.419 2.290 1.755 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -15.719 2.502 1.271 1.00 10.00 H new ATOM 75 N ARG A 6 -16.029 1.369 -2.085 1.00 10.00 N ATOM 76 CA ARG A 6 -15.443 -0.010 -2.137 1.00 10.00 C ATOM 77 C ARG A 6 -14.070 0.014 -2.824 1.00 10.00 C ATOM 78 O ARG A 6 -13.155 -0.677 -2.418 1.00 10.00 O ATOM 79 CB ARG A 6 -16.439 -0.838 -2.958 1.00 10.00 C ATOM 80 CG ARG A 6 -16.267 -2.325 -2.635 1.00 10.00 C ATOM 81 CD ARG A 6 -15.427 -2.998 -3.727 1.00 10.00 C ATOM 82 NE ARG A 6 -15.157 -4.372 -3.215 1.00 10.00 N ATOM 83 CZ ARG A 6 -13.926 -4.769 -3.022 1.00 10.00 C ATOM 84 NH1 ARG A 6 -13.189 -4.191 -2.111 1.00 10.00 N ATOM 85 NH2 ARG A 6 -13.432 -5.746 -3.738 1.00 10.00 N ATOM 0 H ARG A 6 -16.919 1.477 -2.571 1.00 10.00 H new ATOM 0 HA ARG A 6 -15.289 -0.425 -1.141 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -17.458 -0.523 -2.735 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -16.278 -0.667 -4.022 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -15.782 -2.443 -1.666 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -17.242 -2.807 -2.564 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -15.964 -3.029 -4.675 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -14.499 -2.453 -3.903 1.00 10.00 H new ATOM 0 HE ARG A 6 -15.933 -5.003 -3.015 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -13.574 -3.431 -1.551 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -12.229 -4.500 -1.960 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -14.007 -6.199 -4.448 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -12.472 -6.054 -3.586 1.00 10.00 H new ATOM 99 N ASP A 7 -13.922 0.806 -3.859 1.00 10.00 N ATOM 100 CA ASP A 7 -12.607 0.880 -4.574 1.00 10.00 C ATOM 101 C ASP A 7 -11.539 1.541 -3.684 1.00 10.00 C ATOM 102 O ASP A 7 -10.365 1.245 -3.800 1.00 10.00 O ATOM 103 CB ASP A 7 -12.870 1.718 -5.836 1.00 10.00 C ATOM 104 CG ASP A 7 -13.251 3.152 -5.457 1.00 10.00 C ATOM 105 OD1 ASP A 7 -14.405 3.370 -5.131 1.00 10.00 O ATOM 106 OD2 ASP A 7 -12.384 4.007 -5.505 1.00 10.00 O ATOM 0 H ASP A 7 -14.655 1.405 -4.240 1.00 10.00 H new ATOM 0 HA ASP A 7 -12.227 -0.110 -4.825 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -11.981 1.726 -6.466 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -13.671 1.265 -6.420 1.00 10.00 H new ATOM 111 N ILE A 8 -11.934 2.426 -2.797 1.00 10.00 N ATOM 112 CA ILE A 8 -10.932 3.095 -1.905 1.00 10.00 C ATOM 113 C ILE A 8 -10.513 2.148 -0.769 1.00 10.00 C ATOM 114 O ILE A 8 -9.348 2.060 -0.430 1.00 10.00 O ATOM 115 CB ILE A 8 -11.647 4.333 -1.340 1.00 10.00 C ATOM 116 CG1 ILE A 8 -11.754 5.406 -2.432 1.00 10.00 C ATOM 117 CG2 ILE A 8 -10.851 4.893 -0.154 1.00 10.00 C ATOM 118 CD1 ILE A 8 -12.486 6.633 -1.882 1.00 10.00 C ATOM 0 H ILE A 8 -12.902 2.713 -2.653 1.00 10.00 H new ATOM 0 HA ILE A 8 -10.024 3.366 -2.444 1.00 10.00 H new ATOM 0 HB ILE A 8 -12.645 4.050 -1.006 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -10.759 5.688 -2.776 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -12.289 5.008 -3.295 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -11.360 5.770 0.244 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -10.775 4.133 0.624 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -9.852 5.173 -0.487 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -12.560 7.392 -2.661 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -13.487 6.345 -1.560 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -11.933 7.036 -1.033 1.00 10.00 H new ATOM 130 N TRP A 9 -11.453 1.449 -0.177 1.00 10.00 N ATOM 131 CA TRP A 9 -11.115 0.513 0.944 1.00 10.00 C ATOM 132 C TRP A 9 -10.054 -0.506 0.501 1.00 10.00 C ATOM 133 O TRP A 9 -9.023 -0.650 1.132 1.00 10.00 O ATOM 134 CB TRP A 9 -12.433 -0.190 1.289 1.00 10.00 C ATOM 135 CG TRP A 9 -12.179 -1.269 2.296 1.00 10.00 C ATOM 136 CD1 TRP A 9 -12.271 -2.595 2.052 1.00 10.00 C ATOM 137 CD2 TRP A 9 -11.790 -1.136 3.696 1.00 10.00 C ATOM 138 NE1 TRP A 9 -11.965 -3.286 3.211 1.00 10.00 N ATOM 139 CE2 TRP A 9 -11.663 -2.430 4.252 1.00 10.00 C ATOM 140 CE3 TRP A 9 -11.540 -0.028 4.528 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -11.299 -2.620 5.585 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -11.173 -0.217 5.870 1.00 10.00 C ATOM 143 CH2 TRP A 9 -11.054 -1.510 6.398 1.00 10.00 C ATOM 0 H TRP A 9 -12.442 1.486 -0.422 1.00 10.00 H new ATOM 0 HA TRP A 9 -10.697 1.039 1.802 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -13.148 0.531 1.686 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.876 -0.616 0.389 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -12.540 -3.042 1.106 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -11.963 -4.303 3.287 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -11.631 0.973 4.132 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -11.207 -3.618 5.986 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -10.981 0.639 6.499 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -10.773 -1.648 7.432 1.00 10.00 H new ATOM 154 N ASP A 10 -10.302 -1.213 -0.577 1.00 10.00 N ATOM 155 CA ASP A 10 -9.307 -2.223 -1.061 1.00 10.00 C ATOM 156 C ASP A 10 -7.969 -1.540 -1.372 1.00 10.00 C ATOM 157 O ASP A 10 -6.915 -2.071 -1.078 1.00 10.00 O ATOM 158 CB ASP A 10 -9.916 -2.824 -2.334 1.00 10.00 C ATOM 159 CG ASP A 10 -9.617 -4.328 -2.393 1.00 10.00 C ATOM 160 OD1 ASP A 10 -8.454 -4.689 -2.312 1.00 10.00 O ATOM 161 OD2 ASP A 10 -10.561 -5.092 -2.523 1.00 10.00 O ATOM 0 H ASP A 10 -11.148 -1.134 -1.141 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.108 -2.990 -0.313 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -10.993 -2.657 -2.347 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -9.506 -2.328 -3.214 1.00 10.00 H new ATOM 166 N TRP A 11 -8.004 -0.362 -1.952 1.00 10.00 N ATOM 167 CA TRP A 11 -6.732 0.363 -2.269 1.00 10.00 C ATOM 168 C TRP A 11 -5.948 0.633 -0.977 1.00 10.00 C ATOM 169 O TRP A 11 -4.745 0.457 -0.928 1.00 10.00 O ATOM 170 CB TRP A 11 -7.171 1.677 -2.927 1.00 10.00 C ATOM 171 CG TRP A 11 -5.978 2.548 -3.162 1.00 10.00 C ATOM 172 CD1 TRP A 11 -5.083 2.388 -4.165 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.531 3.705 -2.396 1.00 10.00 C ATOM 174 NE1 TRP A 11 -4.117 3.373 -4.062 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.350 4.209 -2.989 1.00 10.00 C ATOM 176 CE3 TRP A 11 -6.032 4.358 -1.256 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -3.689 5.322 -2.469 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -5.370 5.479 -0.730 1.00 10.00 C ATOM 179 CH2 TRP A 11 -4.201 5.960 -1.336 1.00 10.00 C ATOM 0 H TRP A 11 -8.858 0.128 -2.219 1.00 10.00 H new ATOM 0 HA TRP A 11 -6.077 -0.212 -2.923 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -7.674 1.471 -3.872 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -7.889 2.192 -2.289 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -5.117 1.618 -4.921 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -3.328 3.470 -4.702 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -6.932 3.995 -0.782 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -2.788 5.688 -2.939 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -5.763 5.973 0.146 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -3.696 6.823 -0.928 1.00 10.00 H new ATOM 190 N ILE A 12 -6.625 1.041 0.071 1.00 10.00 N ATOM 191 CA ILE A 12 -5.925 1.304 1.369 1.00 10.00 C ATOM 192 C ILE A 12 -5.216 0.022 1.835 1.00 10.00 C ATOM 193 O ILE A 12 -4.120 0.064 2.365 1.00 10.00 O ATOM 194 CB ILE A 12 -7.033 1.713 2.351 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.566 3.099 1.975 1.00 10.00 C ATOM 196 CG2 ILE A 12 -6.475 1.760 3.778 1.00 10.00 C ATOM 197 CD1 ILE A 12 -8.975 3.277 2.542 1.00 10.00 C ATOM 0 H ILE A 12 -7.632 1.203 0.083 1.00 10.00 H new ATOM 0 HA ILE A 12 -5.165 2.081 1.290 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.839 0.981 2.301 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -6.905 3.872 2.366 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.582 3.212 0.891 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -7.266 2.051 4.469 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -6.097 0.776 4.053 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -5.665 2.487 3.828 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -9.353 4.264 2.274 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -9.633 2.512 2.129 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -8.945 3.183 3.627 1.00 10.00 H new ATOM 209 N CYS A 13 -5.832 -1.118 1.621 1.00 10.00 N ATOM 210 CA CYS A 13 -5.197 -2.408 2.028 1.00 10.00 C ATOM 211 C CYS A 13 -3.986 -2.700 1.130 1.00 10.00 C ATOM 212 O CYS A 13 -2.963 -3.171 1.591 1.00 10.00 O ATOM 213 CB CYS A 13 -6.284 -3.469 1.830 1.00 10.00 C ATOM 214 SG CYS A 13 -5.865 -4.948 2.786 1.00 10.00 S ATOM 0 H CYS A 13 -6.748 -1.208 1.181 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.836 -2.388 3.056 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -7.251 -3.079 2.149 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.374 -3.720 0.773 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.788 -5.848 2.620 1.00 10.00 H new ATOM 220 N GLU A 14 -4.096 -2.413 -0.150 1.00 10.00 N ATOM 221 CA GLU A 14 -2.952 -2.661 -1.082 1.00 10.00 C ATOM 222 C GLU A 14 -1.772 -1.749 -0.725 1.00 10.00 C ATOM 223 O GLU A 14 -0.629 -2.166 -0.743 1.00 10.00 O ATOM 224 CB GLU A 14 -3.493 -2.331 -2.478 1.00 10.00 C ATOM 225 CG GLU A 14 -3.611 -3.619 -3.302 1.00 10.00 C ATOM 226 CD GLU A 14 -4.973 -4.272 -3.049 1.00 10.00 C ATOM 227 OE1 GLU A 14 -5.171 -4.783 -1.958 1.00 10.00 O ATOM 228 OE2 GLU A 14 -5.793 -4.254 -3.955 1.00 10.00 O ATOM 0 H GLU A 14 -4.930 -2.018 -0.586 1.00 10.00 H new ATOM 0 HA GLU A 14 -2.586 -3.686 -1.024 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -4.467 -1.849 -2.397 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -2.829 -1.626 -2.979 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -3.496 -3.395 -4.363 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -2.811 -4.309 -3.033 1.00 10.00 H new ATOM 235 N VAL A 15 -2.049 -0.514 -0.389 1.00 10.00 N ATOM 236 CA VAL A 15 -0.951 0.435 -0.013 1.00 10.00 C ATOM 237 C VAL A 15 -0.249 -0.063 1.258 1.00 10.00 C ATOM 238 O VAL A 15 0.955 0.050 1.395 1.00 10.00 O ATOM 239 CB VAL A 15 -1.643 1.782 0.236 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.633 2.789 0.797 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.210 2.320 -1.082 1.00 10.00 C ATOM 0 H VAL A 15 -2.989 -0.119 -0.358 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.190 0.519 -0.789 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.451 1.639 0.953 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -1.130 3.743 0.972 1.00 10.00 H new ATOM 0 HG12 VAL A 15 -0.228 2.413 1.737 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.178 2.928 0.082 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.701 3.277 -0.903 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.400 2.456 -1.798 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -2.933 1.610 -1.484 1.00 10.00 H new ATOM 251 N LEU A 16 -0.995 -0.625 2.183 1.00 10.00 N ATOM 252 CA LEU A 16 -0.376 -1.148 3.440 1.00 10.00 C ATOM 253 C LEU A 16 0.593 -2.291 3.102 1.00 10.00 C ATOM 254 O LEU A 16 1.675 -2.381 3.650 1.00 10.00 O ATOM 255 CB LEU A 16 -1.548 -1.660 4.282 1.00 10.00 C ATOM 256 CG LEU A 16 -1.063 -1.988 5.698 1.00 10.00 C ATOM 257 CD1 LEU A 16 -1.855 -1.165 6.716 1.00 10.00 C ATOM 258 CD2 LEU A 16 -1.274 -3.479 5.978 1.00 10.00 C ATOM 0 H LEU A 16 -2.006 -0.743 2.119 1.00 10.00 H new ATOM 0 HA LEU A 16 0.196 -0.388 3.972 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.335 -0.907 4.322 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.979 -2.548 3.820 1.00 10.00 H new ATOM 0 HG LEU A 16 -0.003 -1.747 5.781 1.00 10.00 H new ATOM 0 HD11 LEU A 16 -1.508 -1.400 7.722 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -1.707 -0.103 6.520 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -2.915 -1.405 6.632 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -0.929 -3.712 6.985 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -2.334 -3.719 5.893 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -0.709 -4.068 5.255 1.00 10.00 H new ATOM 270 N SER A 17 0.214 -3.154 2.189 1.00 10.00 N ATOM 271 CA SER A 17 1.113 -4.283 1.796 1.00 10.00 C ATOM 272 C SER A 17 2.235 -3.758 0.891 1.00 10.00 C ATOM 273 O SER A 17 3.378 -4.161 1.009 1.00 10.00 O ATOM 274 CB SER A 17 0.219 -5.264 1.030 1.00 10.00 C ATOM 275 OG SER A 17 0.906 -6.499 0.859 1.00 10.00 O ATOM 0 H SER A 17 -0.680 -3.124 1.699 1.00 10.00 H new ATOM 0 HA SER A 17 1.584 -4.758 2.656 1.00 10.00 H new ATOM 0 HB2 SER A 17 -0.711 -5.426 1.574 1.00 10.00 H new ATOM 0 HB3 SER A 17 -0.048 -4.847 0.059 1.00 10.00 H new ATOM 0 HG SER A 17 0.334 -7.127 0.371 1.00 10.00 H new ATOM 281 N ASP A 18 1.913 -2.855 -0.006 1.00 10.00 N ATOM 282 CA ASP A 18 2.953 -2.291 -0.921 1.00 10.00 C ATOM 283 C ASP A 18 3.952 -1.434 -0.136 1.00 10.00 C ATOM 284 O ASP A 18 5.101 -1.343 -0.502 1.00 10.00 O ATOM 285 CB ASP A 18 2.186 -1.432 -1.931 1.00 10.00 C ATOM 286 CG ASP A 18 3.065 -1.180 -3.160 1.00 10.00 C ATOM 287 OD1 ASP A 18 3.342 -2.133 -3.871 1.00 10.00 O ATOM 288 OD2 ASP A 18 3.442 -0.039 -3.370 1.00 10.00 O ATOM 0 H ASP A 18 0.972 -2.485 -0.143 1.00 10.00 H new ATOM 0 HA ASP A 18 3.528 -3.076 -1.412 1.00 10.00 H new ATOM 0 HB2 ASP A 18 1.265 -1.935 -2.226 1.00 10.00 H new ATOM 0 HB3 ASP A 18 1.900 -0.484 -1.475 1.00 10.00 H new ATOM 293 N PHE A 19 3.527 -0.814 0.941 1.00 10.00 N ATOM 294 CA PHE A 19 4.465 0.028 1.752 1.00 10.00 C ATOM 295 C PHE A 19 5.756 -0.751 2.048 1.00 10.00 C ATOM 296 O PHE A 19 6.842 -0.206 2.006 1.00 10.00 O ATOM 297 CB PHE A 19 3.713 0.323 3.054 1.00 10.00 C ATOM 298 CG PHE A 19 3.714 1.810 3.320 1.00 10.00 C ATOM 299 CD1 PHE A 19 2.804 2.641 2.655 1.00 10.00 C ATOM 300 CD2 PHE A 19 4.623 2.358 4.233 1.00 10.00 C ATOM 301 CE1 PHE A 19 2.803 4.019 2.903 1.00 10.00 C ATOM 302 CE2 PHE A 19 4.623 3.735 4.481 1.00 10.00 C ATOM 303 CZ PHE A 19 3.712 4.566 3.816 1.00 10.00 C ATOM 0 H PHE A 19 2.571 -0.855 1.293 1.00 10.00 H new ATOM 0 HA PHE A 19 4.753 0.941 1.230 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.688 -0.042 2.984 1.00 10.00 H new ATOM 0 HB3 PHE A 19 4.183 -0.204 3.884 1.00 10.00 H new ATOM 0 HD1 PHE A 19 2.103 2.219 1.951 1.00 10.00 H new ATOM 0 HD2 PHE A 19 5.325 1.717 4.746 1.00 10.00 H new ATOM 0 HE1 PHE A 19 2.101 4.660 2.390 1.00 10.00 H new ATOM 0 HE2 PHE A 19 5.325 4.157 5.185 1.00 10.00 H new ATOM 0 HZ PHE A 19 3.711 5.629 4.008 1.00 10.00 H new ATOM 313 N LYS A 20 5.637 -2.024 2.339 1.00 10.00 N ATOM 314 CA LYS A 20 6.850 -2.850 2.633 1.00 10.00 C ATOM 315 C LYS A 20 7.720 -2.992 1.376 1.00 10.00 C ATOM 316 O LYS A 20 8.925 -2.829 1.430 1.00 10.00 O ATOM 317 CB LYS A 20 6.309 -4.215 3.072 1.00 10.00 C ATOM 318 CG LYS A 20 7.467 -5.097 3.554 1.00 10.00 C ATOM 319 CD LYS A 20 7.200 -5.561 4.989 1.00 10.00 C ATOM 320 CE LYS A 20 6.442 -6.892 4.967 1.00 10.00 C ATOM 321 NZ LYS A 20 5.799 -6.999 6.309 1.00 10.00 N ATOM 0 H LYS A 20 4.751 -2.527 2.386 1.00 10.00 H new ATOM 0 HA LYS A 20 7.478 -2.396 3.400 1.00 10.00 H new ATOM 0 HB2 LYS A 20 5.578 -4.088 3.871 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.793 -4.697 2.242 1.00 10.00 H new ATOM 0 HG2 LYS A 20 7.577 -5.960 2.897 1.00 10.00 H new ATOM 0 HG3 LYS A 20 8.403 -4.541 3.510 1.00 10.00 H new ATOM 0 HD2 LYS A 20 8.142 -5.676 5.526 1.00 10.00 H new ATOM 0 HD3 LYS A 20 6.619 -4.809 5.523 1.00 10.00 H new ATOM 0 HE2 LYS A 20 5.697 -6.908 4.171 1.00 10.00 H new ATOM 0 HE3 LYS A 20 7.119 -7.727 4.787 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 5.262 -7.888 6.367 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 6.532 -6.989 7.047 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 5.155 -6.195 6.450 1.00 10.00 H new ATOM 335 N THR A 21 7.121 -3.290 0.248 1.00 10.00 N ATOM 336 CA THR A 21 7.918 -3.438 -1.012 1.00 10.00 C ATOM 337 C THR A 21 8.327 -2.061 -1.546 1.00 10.00 C ATOM 338 O THR A 21 9.452 -1.866 -1.966 1.00 10.00 O ATOM 339 CB THR A 21 6.992 -4.157 -2.006 1.00 10.00 C ATOM 340 OG1 THR A 21 5.693 -3.577 -1.958 1.00 10.00 O ATOM 341 CG2 THR A 21 6.903 -5.641 -1.642 1.00 10.00 C ATOM 0 H THR A 21 6.117 -3.437 0.145 1.00 10.00 H new ATOM 0 HA THR A 21 8.838 -3.999 -0.849 1.00 10.00 H new ATOM 0 HB THR A 21 7.396 -4.054 -3.013 1.00 10.00 H new ATOM 0 HG1 THR A 21 5.722 -2.753 -1.429 1.00 10.00 H new ATOM 0 HG21 THR A 21 6.246 -6.150 -2.347 1.00 10.00 H new ATOM 0 HG22 THR A 21 7.897 -6.087 -1.685 1.00 10.00 H new ATOM 0 HG23 THR A 21 6.503 -5.745 -0.634 1.00 10.00 H new ATOM 349 N TRP A 22 7.426 -1.109 -1.522 1.00 10.00 N ATOM 350 CA TRP A 22 7.752 0.267 -2.015 1.00 10.00 C ATOM 351 C TRP A 22 8.992 0.800 -1.291 1.00 10.00 C ATOM 352 O TRP A 22 9.957 1.204 -1.911 1.00 10.00 O ATOM 353 CB TRP A 22 6.525 1.112 -1.663 1.00 10.00 C ATOM 354 CG TRP A 22 6.555 2.389 -2.441 1.00 10.00 C ATOM 355 CD1 TRP A 22 6.034 2.561 -3.678 1.00 10.00 C ATOM 356 CD2 TRP A 22 7.124 3.673 -2.055 1.00 10.00 C ATOM 357 NE1 TRP A 22 6.250 3.868 -4.076 1.00 10.00 N ATOM 358 CE2 TRP A 22 6.919 4.593 -3.109 1.00 10.00 C ATOM 359 CE3 TRP A 22 7.794 4.123 -0.903 1.00 10.00 C ATOM 360 CZ2 TRP A 22 7.361 5.914 -3.024 1.00 10.00 C ATOM 361 CZ3 TRP A 22 8.241 5.451 -0.813 1.00 10.00 C ATOM 362 CH2 TRP A 22 8.025 6.344 -1.872 1.00 10.00 C ATOM 0 H TRP A 22 6.472 -1.227 -1.180 1.00 10.00 H new ATOM 0 HA TRP A 22 7.969 0.287 -3.083 1.00 10.00 H new ATOM 0 HB2 TRP A 22 5.613 0.559 -1.888 1.00 10.00 H new ATOM 0 HB3 TRP A 22 6.513 1.326 -0.594 1.00 10.00 H new ATOM 0 HD1 TRP A 22 5.532 1.802 -4.259 1.00 10.00 H new ATOM 0 HE1 TRP A 22 5.952 4.250 -4.974 1.00 10.00 H new ATOM 0 HE3 TRP A 22 7.966 3.442 -0.082 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 7.191 6.598 -3.842 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 8.754 5.786 0.076 1.00 10.00 H new ATOM 0 HH2 TRP A 22 8.372 7.364 -1.797 1.00 10.00 H new ATOM 373 N LEU A 23 8.966 0.797 0.019 1.00 10.00 N ATOM 374 CA LEU A 23 10.141 1.295 0.802 1.00 10.00 C ATOM 375 C LEU A 23 11.347 0.364 0.613 1.00 10.00 C ATOM 376 O LEU A 23 12.480 0.803 0.636 1.00 10.00 O ATOM 377 CB LEU A 23 9.686 1.300 2.266 1.00 10.00 C ATOM 378 CG LEU A 23 9.096 2.670 2.617 1.00 10.00 C ATOM 379 CD1 LEU A 23 7.579 2.645 2.412 1.00 10.00 C ATOM 380 CD2 LEU A 23 9.405 3.001 4.080 1.00 10.00 C ATOM 0 H LEU A 23 8.180 0.471 0.582 1.00 10.00 H new ATOM 0 HA LEU A 23 10.455 2.286 0.475 1.00 10.00 H new ATOM 0 HB2 LEU A 23 8.942 0.520 2.429 1.00 10.00 H new ATOM 0 HB3 LEU A 23 10.529 1.078 2.920 1.00 10.00 H new ATOM 0 HG LEU A 23 9.537 3.428 1.970 1.00 10.00 H new ATOM 0 HD11 LEU A 23 7.162 3.620 2.662 1.00 10.00 H new ATOM 0 HD12 LEU A 23 7.356 2.411 1.371 1.00 10.00 H new ATOM 0 HD13 LEU A 23 7.137 1.885 3.057 1.00 10.00 H new ATOM 0 HD21 LEU A 23 8.985 3.976 4.329 1.00 10.00 H new ATOM 0 HD22 LEU A 23 8.965 2.241 4.726 1.00 10.00 H new ATOM 0 HD23 LEU A 23 10.485 3.023 4.228 1.00 10.00 H new ATOM 392 N LYS A 24 11.117 -0.915 0.414 1.00 10.00 N ATOM 393 CA LYS A 24 12.262 -1.855 0.210 1.00 10.00 C ATOM 394 C LYS A 24 12.929 -1.582 -1.146 1.00 10.00 C ATOM 395 O LYS A 24 14.129 -1.722 -1.292 1.00 10.00 O ATOM 396 CB LYS A 24 11.644 -3.259 0.241 1.00 10.00 C ATOM 397 CG LYS A 24 12.720 -4.313 -0.049 1.00 10.00 C ATOM 398 CD LYS A 24 13.450 -4.687 1.248 1.00 10.00 C ATOM 399 CE LYS A 24 14.638 -3.742 1.479 1.00 10.00 C ATOM 400 NZ LYS A 24 15.582 -3.996 0.349 1.00 10.00 N ATOM 0 H LYS A 24 10.192 -1.343 0.385 1.00 10.00 H new ATOM 0 HA LYS A 24 13.033 -1.741 0.972 1.00 10.00 H new ATOM 0 HB2 LYS A 24 11.194 -3.446 1.216 1.00 10.00 H new ATOM 0 HB3 LYS A 24 10.845 -3.330 -0.497 1.00 10.00 H new ATOM 0 HG2 LYS A 24 12.263 -5.200 -0.488 1.00 10.00 H new ATOM 0 HG3 LYS A 24 13.432 -3.927 -0.779 1.00 10.00 H new ATOM 0 HD2 LYS A 24 12.761 -4.630 2.091 1.00 10.00 H new ATOM 0 HD3 LYS A 24 13.801 -5.717 1.192 1.00 10.00 H new ATOM 0 HE2 LYS A 24 14.314 -2.701 1.492 1.00 10.00 H new ATOM 0 HE3 LYS A 24 15.114 -3.939 2.439 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 16.561 -3.917 0.690 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 15.423 -4.952 -0.028 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 15.420 -3.296 -0.403 1.00 10.00 H new ATOM 414 N ALA A 25 12.159 -1.188 -2.133 1.00 10.00 N ATOM 415 CA ALA A 25 12.741 -0.899 -3.479 1.00 10.00 C ATOM 416 C ALA A 25 13.513 0.428 -3.451 1.00 10.00 C ATOM 417 O ALA A 25 14.621 0.516 -3.944 1.00 10.00 O ATOM 418 CB ALA A 25 11.540 -0.803 -4.423 1.00 10.00 C ATOM 0 H ALA A 25 11.150 -1.054 -2.062 1.00 10.00 H new ATOM 0 HA ALA A 25 13.445 -1.668 -3.796 1.00 10.00 H new ATOM 0 HB1 ALA A 25 11.888 -0.592 -5.434 1.00 10.00 H new ATOM 0 HB2 ALA A 25 10.996 -1.747 -4.416 1.00 10.00 H new ATOM 0 HB3 ALA A 25 10.880 -0.001 -4.092 1.00 10.00 H new ATOM 424 N LYS A 26 12.936 1.458 -2.875 1.00 10.00 N ATOM 425 CA LYS A 26 13.642 2.778 -2.813 1.00 10.00 C ATOM 426 C LYS A 26 14.832 2.704 -1.840 1.00 10.00 C ATOM 427 O LYS A 26 15.813 3.407 -1.998 1.00 10.00 O ATOM 428 CB LYS A 26 12.583 3.787 -2.334 1.00 10.00 C ATOM 429 CG LYS A 26 12.428 3.726 -0.809 1.00 10.00 C ATOM 430 CD LYS A 26 11.380 4.749 -0.358 1.00 10.00 C ATOM 431 CE LYS A 26 12.076 5.960 0.277 1.00 10.00 C ATOM 432 NZ LYS A 26 12.317 6.912 -0.847 1.00 10.00 N ATOM 0 H LYS A 26 12.010 1.441 -2.447 1.00 10.00 H new ATOM 0 HA LYS A 26 14.055 3.071 -3.778 1.00 10.00 H new ATOM 0 HB2 LYS A 26 12.870 4.794 -2.635 1.00 10.00 H new ATOM 0 HB3 LYS A 26 11.627 3.572 -2.811 1.00 10.00 H new ATOM 0 HG2 LYS A 26 12.128 2.724 -0.504 1.00 10.00 H new ATOM 0 HG3 LYS A 26 13.384 3.933 -0.328 1.00 10.00 H new ATOM 0 HD2 LYS A 26 10.780 5.068 -1.210 1.00 10.00 H new ATOM 0 HD3 LYS A 26 10.698 4.293 0.359 1.00 10.00 H new ATOM 0 HE2 LYS A 26 11.452 6.412 1.048 1.00 10.00 H new ATOM 0 HE3 LYS A 26 13.012 5.670 0.754 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 13.285 6.786 -1.207 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 11.636 6.726 -1.611 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 12.198 7.888 -0.507 1.00 10.00 H new ATOM 446 N LEU A 27 14.756 1.849 -0.845 1.00 10.00 N ATOM 447 CA LEU A 27 15.882 1.715 0.130 1.00 10.00 C ATOM 448 C LEU A 27 16.595 0.374 -0.087 1.00 10.00 C ATOM 449 O LEU A 27 16.643 -0.471 0.789 1.00 10.00 O ATOM 450 CB LEU A 27 15.222 1.769 1.509 1.00 10.00 C ATOM 451 CG LEU A 27 16.232 2.267 2.548 1.00 10.00 C ATOM 452 CD1 LEU A 27 15.955 3.737 2.870 1.00 10.00 C ATOM 453 CD2 LEU A 27 16.103 1.434 3.828 1.00 10.00 C ATOM 0 H LEU A 27 13.959 1.238 -0.668 1.00 10.00 H new ATOM 0 HA LEU A 27 16.633 2.497 0.017 1.00 10.00 H new ATOM 0 HB2 LEU A 27 14.357 2.431 1.483 1.00 10.00 H new ATOM 0 HB3 LEU A 27 14.858 0.780 1.787 1.00 10.00 H new ATOM 0 HG LEU A 27 17.241 2.166 2.147 1.00 10.00 H new ATOM 0 HD11 LEU A 27 16.674 4.089 3.609 1.00 10.00 H new ATOM 0 HD12 LEU A 27 16.047 4.332 1.961 1.00 10.00 H new ATOM 0 HD13 LEU A 27 14.946 3.838 3.269 1.00 10.00 H new ATOM 0 HD21 LEU A 27 16.822 1.789 4.567 1.00 10.00 H new ATOM 0 HD22 LEU A 27 15.093 1.534 4.227 1.00 10.00 H new ATOM 0 HD23 LEU A 27 16.302 0.386 3.602 1.00 10.00 H new ATOM 465 N MET A 28 17.144 0.178 -1.257 1.00 10.00 N ATOM 466 CA MET A 28 17.857 -1.102 -1.554 1.00 10.00 C ATOM 467 C MET A 28 19.337 -0.825 -1.857 1.00 10.00 C ATOM 468 O MET A 28 19.651 -0.130 -2.805 1.00 10.00 O ATOM 469 CB MET A 28 17.149 -1.672 -2.789 1.00 10.00 C ATOM 470 CG MET A 28 17.394 -3.181 -2.870 1.00 10.00 C ATOM 471 SD MET A 28 15.830 -4.030 -3.208 1.00 10.00 S ATOM 472 CE MET A 28 16.021 -4.159 -5.002 1.00 10.00 C ATOM 0 H MET A 28 17.130 0.851 -2.023 1.00 10.00 H new ATOM 0 HA MET A 28 17.831 -1.796 -0.714 1.00 10.00 H new ATOM 0 HB2 MET A 28 16.079 -1.469 -2.733 1.00 10.00 H new ATOM 0 HB3 MET A 28 17.519 -1.184 -3.691 1.00 10.00 H new ATOM 0 HG2 MET A 28 18.117 -3.401 -3.656 1.00 10.00 H new ATOM 0 HG3 MET A 28 17.821 -3.542 -1.934 1.00 10.00 H new ATOM 0 HE1 MET A 28 15.151 -4.661 -5.425 1.00 10.00 H new ATOM 0 HE2 MET A 28 16.109 -3.161 -5.431 1.00 10.00 H new ATOM 0 HE3 MET A 28 16.919 -4.733 -5.232 1.00 10.00 H new ATOM 482 N PRO A 29 20.201 -1.380 -1.037 1.00 10.00 N ATOM 483 CA PRO A 29 21.662 -1.188 -1.226 1.00 10.00 C ATOM 484 C PRO A 29 22.175 -2.016 -2.411 1.00 10.00 C ATOM 485 O PRO A 29 21.420 -2.698 -3.081 1.00 10.00 O ATOM 486 CB PRO A 29 22.265 -1.689 0.082 1.00 10.00 C ATOM 487 CG PRO A 29 21.260 -2.651 0.635 1.00 10.00 C ATOM 488 CD PRO A 29 19.905 -2.225 0.129 1.00 10.00 C ATOM 0 HA PRO A 29 21.925 -0.153 -1.446 1.00 10.00 H new ATOM 0 HB2 PRO A 29 23.225 -2.177 -0.088 1.00 10.00 H new ATOM 0 HB3 PRO A 29 22.444 -0.866 0.774 1.00 10.00 H new ATOM 0 HG2 PRO A 29 21.487 -3.669 0.317 1.00 10.00 H new ATOM 0 HG3 PRO A 29 21.282 -2.646 1.725 1.00 10.00 H new ATOM 0 HD2 PRO A 29 19.295 -3.085 -0.148 1.00 10.00 H new ATOM 0 HD3 PRO A 29 19.352 -1.674 0.889 1.00 10.00 H new ATOM 496 N GLN A 30 23.456 -1.958 -2.666 1.00 10.00 N ATOM 497 CA GLN A 30 24.038 -2.737 -3.800 1.00 10.00 C ATOM 498 C GLN A 30 25.179 -3.634 -3.296 1.00 10.00 C ATOM 499 O GLN A 30 26.191 -3.790 -3.954 1.00 10.00 O ATOM 500 CB GLN A 30 24.562 -1.677 -4.773 1.00 10.00 C ATOM 501 CG GLN A 30 24.683 -2.277 -6.178 1.00 10.00 C ATOM 502 CD GLN A 30 26.071 -1.972 -6.749 1.00 10.00 C ATOM 503 OE1 GLN A 30 26.194 -1.256 -7.721 1.00 10.00 O ATOM 504 NE2 GLN A 30 27.127 -2.489 -6.183 1.00 10.00 N ATOM 0 H GLN A 30 24.127 -1.402 -2.136 1.00 10.00 H new ATOM 0 HA GLN A 30 23.310 -3.396 -4.273 1.00 10.00 H new ATOM 0 HB2 GLN A 30 23.888 -0.821 -4.790 1.00 10.00 H new ATOM 0 HB3 GLN A 30 25.533 -1.312 -4.439 1.00 10.00 H new ATOM 0 HG2 GLN A 30 24.523 -3.355 -6.139 1.00 10.00 H new ATOM 0 HG3 GLN A 30 23.912 -1.864 -6.829 1.00 10.00 H new ATOM 0 HE21 GLN A 30 27.025 -3.091 -5.366 1.00 10.00 H new ATOM 0 HE22 GLN A 30 28.055 -2.291 -6.558 1.00 10.00 H new ATOM 513 N LEU A 31 25.017 -4.223 -2.131 1.00 10.00 N ATOM 514 CA LEU A 31 26.080 -5.115 -1.560 1.00 10.00 C ATOM 515 C LEU A 31 27.437 -4.383 -1.523 1.00 10.00 C ATOM 516 O LEU A 31 27.471 -3.271 -1.020 1.00 10.00 O ATOM 517 CB LEU A 31 26.125 -6.338 -2.491 1.00 10.00 C ATOM 518 CG LEU A 31 24.915 -7.238 -2.221 1.00 10.00 C ATOM 519 CD1 LEU A 31 24.752 -8.234 -3.371 1.00 10.00 C ATOM 520 CD2 LEU A 31 25.129 -8.004 -0.913 1.00 10.00 C ATOM 521 OXT LEU A 31 28.418 -4.944 -1.990 1.00 10.00 O ATOM 0 H LEU A 31 24.187 -4.122 -1.547 1.00 10.00 H new ATOM 0 HA LEU A 31 25.866 -5.407 -0.532 1.00 10.00 H new ATOM 0 HB2 LEU A 31 26.125 -6.015 -3.532 1.00 10.00 H new ATOM 0 HB3 LEU A 31 27.048 -6.895 -2.331 1.00 10.00 H new ATOM 0 HG LEU A 31 24.018 -6.624 -2.141 1.00 10.00 H new ATOM 0 HD11 LEU A 31 23.891 -8.874 -3.179 1.00 10.00 H new ATOM 0 HD12 LEU A 31 24.599 -7.691 -4.304 1.00 10.00 H new ATOM 0 HD13 LEU A 31 25.649 -8.847 -3.451 1.00 10.00 H new ATOM 0 HD21 LEU A 31 24.268 -8.644 -0.721 1.00 10.00 H new ATOM 0 HD22 LEU A 31 26.026 -8.617 -0.993 1.00 10.00 H new ATOM 0 HD23 LEU A 31 25.245 -7.297 -0.092 1.00 10.00 H new TER 533 LEU A 31