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+ -153:sc= 0.182 (180deg=0.0348) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0952 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 77:sc= 1.25 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 159:sc= -0.0485 (180deg=-0.547) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -26.306 2.261 7.999 1.00 10.00 N ATOM 2 CA SER A 1 -26.057 1.179 6.996 1.00 10.00 C ATOM 3 C SER A 1 -25.428 1.762 5.722 1.00 10.00 C ATOM 4 O SER A 1 -25.386 2.964 5.535 1.00 10.00 O ATOM 5 CB SER A 1 -27.437 0.585 6.692 1.00 10.00 C ATOM 6 OG SER A 1 -28.348 1.633 6.381 1.00 10.00 O ATOM 0 H1 SER A 1 -26.285 1.857 8.957 1.00 10.00 H new ATOM 0 H2 SER A 1 -25.569 2.989 7.914 1.00 10.00 H new ATOM 0 H3 SER A 1 -27.237 2.689 7.824 1.00 10.00 H new ATOM 0 HA SER A 1 -25.365 0.426 7.373 1.00 10.00 H new ATOM 0 HB2 SER A 1 -27.369 -0.111 5.856 1.00 10.00 H new ATOM 0 HB3 SER A 1 -27.798 0.018 7.550 1.00 10.00 H new ATOM 0 HG SER A 1 -29.230 1.253 6.185 1.00 10.00 H new ATOM 14 N GLY A 2 -24.941 0.915 4.848 1.00 10.00 N ATOM 15 CA GLY A 2 -24.313 1.412 3.585 1.00 10.00 C ATOM 16 C GLY A 2 -23.748 0.230 2.789 1.00 10.00 C ATOM 17 O GLY A 2 -24.278 -0.864 2.827 1.00 10.00 O ATOM 0 H GLY A 2 -24.952 -0.099 4.955 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -25.051 1.946 2.987 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -23.517 2.120 3.817 1.00 10.00 H new ATOM 21 N SER A 3 -22.672 0.445 2.070 1.00 10.00 N ATOM 22 CA SER A 3 -22.066 -0.663 1.269 1.00 10.00 C ATOM 23 C SER A 3 -20.842 -1.241 1.992 1.00 10.00 C ATOM 24 O SER A 3 -20.704 -2.443 2.114 1.00 10.00 O ATOM 25 CB SER A 3 -21.652 -0.023 -0.058 1.00 10.00 C ATOM 26 OG SER A 3 -22.546 -0.445 -1.081 1.00 10.00 O ATOM 0 H SER A 3 -22.188 1.340 2.004 1.00 10.00 H new ATOM 0 HA SER A 3 -22.764 -1.487 1.122 1.00 10.00 H new ATOM 0 HB2 SER A 3 -21.667 1.063 0.029 1.00 10.00 H new ATOM 0 HB3 SER A 3 -20.631 -0.309 -0.310 1.00 10.00 H new ATOM 0 HG SER A 3 -22.285 -0.036 -1.932 1.00 10.00 H new ATOM 32 N TRP A 4 -19.954 -0.389 2.464 1.00 10.00 N ATOM 33 CA TRP A 4 -18.724 -0.863 3.179 1.00 10.00 C ATOM 34 C TRP A 4 -17.862 -1.738 2.259 1.00 10.00 C ATOM 35 O TRP A 4 -18.175 -1.920 1.098 1.00 10.00 O ATOM 36 CB TRP A 4 -19.222 -1.663 4.393 1.00 10.00 C ATOM 37 CG TRP A 4 -19.213 -0.791 5.611 1.00 10.00 C ATOM 38 CD1 TRP A 4 -20.265 -0.609 6.443 1.00 10.00 C ATOM 39 CD2 TRP A 4 -18.123 0.016 6.150 1.00 10.00 C ATOM 40 NE1 TRP A 4 -19.892 0.255 7.456 1.00 10.00 N ATOM 41 CE2 TRP A 4 -18.581 0.668 7.319 1.00 10.00 C ATOM 42 CE3 TRP A 4 -16.795 0.242 5.741 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -17.752 1.514 8.058 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -15.959 1.094 6.482 1.00 10.00 C ATOM 45 CH2 TRP A 4 -16.436 1.728 7.638 1.00 10.00 C ATOM 0 H TRP A 4 -20.033 0.625 2.382 1.00 10.00 H new ATOM 0 HA TRP A 4 -18.096 -0.028 3.488 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -20.230 -2.034 4.207 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -18.586 -2.534 4.553 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -21.238 -1.065 6.333 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -20.509 0.551 8.212 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -16.417 -0.242 4.853 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -18.125 2.000 8.948 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -14.942 1.262 6.159 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -15.787 2.381 8.203 1.00 10.00 H new ATOM 56 N LEU A 5 -16.773 -2.259 2.777 1.00 10.00 N ATOM 57 CA LEU A 5 -15.842 -3.119 1.965 1.00 10.00 C ATOM 58 C LEU A 5 -15.223 -2.291 0.833 1.00 10.00 C ATOM 59 O LEU A 5 -14.068 -1.921 0.895 1.00 10.00 O ATOM 60 CB LEU A 5 -16.685 -4.280 1.413 1.00 10.00 C ATOM 61 CG LEU A 5 -17.240 -5.111 2.573 1.00 10.00 C ATOM 62 CD1 LEU A 5 -18.757 -5.242 2.425 1.00 10.00 C ATOM 63 CD2 LEU A 5 -16.605 -6.504 2.553 1.00 10.00 C ATOM 0 H LEU A 5 -16.483 -2.123 3.745 1.00 10.00 H new ATOM 0 HA LEU A 5 -15.019 -3.503 2.567 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -17.503 -3.892 0.807 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -16.076 -4.907 0.762 1.00 10.00 H new ATOM 0 HG LEU A 5 -17.007 -4.618 3.517 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -19.153 -5.833 3.250 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -19.211 -4.251 2.438 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -18.989 -5.735 1.481 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -17.000 -7.096 3.379 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -16.838 -6.997 1.609 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -15.524 -6.413 2.657 1.00 10.00 H new ATOM 75 N ARG A 6 -15.988 -1.963 -0.179 1.00 10.00 N ATOM 76 CA ARG A 6 -15.443 -1.120 -1.288 1.00 10.00 C ATOM 77 C ARG A 6 -14.983 0.230 -0.718 1.00 10.00 C ATOM 78 O ARG A 6 -14.146 0.904 -1.289 1.00 10.00 O ATOM 79 CB ARG A 6 -16.610 -0.925 -2.263 1.00 10.00 C ATOM 80 CG ARG A 6 -16.908 -2.244 -2.986 1.00 10.00 C ATOM 81 CD ARG A 6 -18.215 -2.842 -2.449 1.00 10.00 C ATOM 82 NE ARG A 6 -19.126 -2.905 -3.629 1.00 10.00 N ATOM 83 CZ ARG A 6 -19.497 -4.063 -4.114 1.00 10.00 C ATOM 84 NH1 ARG A 6 -18.613 -4.858 -4.656 1.00 10.00 N ATOM 85 NH2 ARG A 6 -20.754 -4.420 -4.056 1.00 10.00 N ATOM 0 H ARG A 6 -16.963 -2.242 -0.285 1.00 10.00 H new ATOM 0 HA ARG A 6 -14.587 -1.579 -1.782 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -17.495 -0.588 -1.723 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -16.364 -0.149 -2.988 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -16.989 -2.072 -4.059 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -16.087 -2.946 -2.837 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -18.050 -3.832 -2.024 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -18.637 -2.222 -1.658 1.00 10.00 H new ATOM 0 HE ARG A 6 -19.461 -2.043 -4.059 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -17.634 -4.576 -4.701 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -18.902 -5.760 -5.034 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -21.442 -3.797 -3.634 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -21.046 -5.322 -4.433 1.00 10.00 H new ATOM 99 N ASP A 7 -15.524 0.614 0.416 1.00 10.00 N ATOM 100 CA ASP A 7 -15.134 1.903 1.059 1.00 10.00 C ATOM 101 C ASP A 7 -14.111 1.654 2.182 1.00 10.00 C ATOM 102 O ASP A 7 -13.443 2.567 2.627 1.00 10.00 O ATOM 103 CB ASP A 7 -16.434 2.472 1.646 1.00 10.00 C ATOM 104 CG ASP A 7 -17.530 2.499 0.575 1.00 10.00 C ATOM 105 OD1 ASP A 7 -17.472 3.364 -0.282 1.00 10.00 O ATOM 106 OD2 ASP A 7 -18.410 1.654 0.635 1.00 10.00 O ATOM 0 H ASP A 7 -16.227 0.080 0.926 1.00 10.00 H new ATOM 0 HA ASP A 7 -14.671 2.587 0.348 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -16.756 1.864 2.492 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -16.260 3.479 2.025 1.00 10.00 H new ATOM 111 N ILE A 8 -13.988 0.429 2.650 1.00 10.00 N ATOM 112 CA ILE A 8 -13.013 0.137 3.749 1.00 10.00 C ATOM 113 C ILE A 8 -11.632 -0.223 3.180 1.00 10.00 C ATOM 114 O ILE A 8 -10.622 -0.037 3.835 1.00 10.00 O ATOM 115 CB ILE A 8 -13.615 -1.047 4.527 1.00 10.00 C ATOM 116 CG1 ILE A 8 -13.119 -0.992 5.972 1.00 10.00 C ATOM 117 CG2 ILE A 8 -13.194 -2.382 3.903 1.00 10.00 C ATOM 118 CD1 ILE A 8 -13.930 -1.964 6.833 1.00 10.00 C ATOM 0 H ILE A 8 -14.520 -0.376 2.318 1.00 10.00 H new ATOM 0 HA ILE A 8 -12.859 1.004 4.391 1.00 10.00 H new ATOM 0 HB ILE A 8 -14.702 -0.975 4.491 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -12.061 -1.250 6.014 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -13.215 0.021 6.361 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -13.632 -3.203 4.471 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -13.543 -2.427 2.871 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -12.107 -2.466 3.923 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -13.574 -1.922 7.862 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -14.983 -1.686 6.802 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -13.811 -2.977 6.449 1.00 10.00 H new ATOM 130 N TRP A 9 -11.577 -0.741 1.976 1.00 10.00 N ATOM 131 CA TRP A 9 -10.253 -1.114 1.385 1.00 10.00 C ATOM 132 C TRP A 9 -9.433 0.150 1.103 1.00 10.00 C ATOM 133 O TRP A 9 -8.244 0.189 1.353 1.00 10.00 O ATOM 134 CB TRP A 9 -10.562 -1.852 0.075 1.00 10.00 C ATOM 135 CG TRP A 9 -11.407 -3.065 0.338 1.00 10.00 C ATOM 136 CD1 TRP A 9 -11.445 -3.761 1.501 1.00 10.00 C ATOM 137 CD2 TRP A 9 -12.335 -3.733 -0.566 1.00 10.00 C ATOM 138 NE1 TRP A 9 -12.345 -4.804 1.368 1.00 10.00 N ATOM 139 CE2 TRP A 9 -12.917 -4.831 0.112 1.00 10.00 C ATOM 140 CE3 TRP A 9 -12.729 -3.493 -1.895 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -13.852 -5.660 -0.506 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -13.670 -4.327 -2.520 1.00 10.00 C ATOM 143 CH2 TRP A 9 -14.231 -5.408 -1.827 1.00 10.00 C ATOM 0 H TRP A 9 -12.386 -0.921 1.381 1.00 10.00 H new ATOM 0 HA TRP A 9 -9.672 -1.739 2.063 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -11.080 -1.183 -0.612 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -9.632 -2.148 -0.410 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -10.868 -3.538 2.386 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -12.560 -5.472 2.108 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -12.305 -2.662 -2.438 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -14.281 -6.492 0.033 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -13.963 -4.134 -3.541 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -14.955 -6.045 -2.313 1.00 10.00 H new ATOM 154 N ASP A 10 -10.063 1.184 0.592 1.00 10.00 N ATOM 155 CA ASP A 10 -9.323 2.453 0.304 1.00 10.00 C ATOM 156 C ASP A 10 -8.610 2.942 1.571 1.00 10.00 C ATOM 157 O ASP A 10 -7.479 3.390 1.521 1.00 10.00 O ATOM 158 CB ASP A 10 -10.393 3.457 -0.140 1.00 10.00 C ATOM 159 CG ASP A 10 -9.746 4.821 -0.397 1.00 10.00 C ATOM 160 OD1 ASP A 10 -8.841 4.885 -1.213 1.00 10.00 O ATOM 161 OD2 ASP A 10 -10.169 5.779 0.228 1.00 10.00 O ATOM 0 H ASP A 10 -11.057 1.202 0.363 1.00 10.00 H new ATOM 0 HA ASP A 10 -8.559 2.321 -0.462 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -10.886 3.101 -1.045 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -11.162 3.547 0.628 1.00 10.00 H new ATOM 166 N TRP A 11 -9.261 2.837 2.708 1.00 10.00 N ATOM 167 CA TRP A 11 -8.623 3.271 3.990 1.00 10.00 C ATOM 168 C TRP A 11 -7.315 2.494 4.190 1.00 10.00 C ATOM 169 O TRP A 11 -6.267 3.070 4.421 1.00 10.00 O ATOM 170 CB TRP A 11 -9.669 2.940 5.085 1.00 10.00 C ATOM 171 CG TRP A 11 -9.026 2.369 6.325 1.00 10.00 C ATOM 172 CD1 TRP A 11 -7.859 2.783 6.867 1.00 10.00 C ATOM 173 CD2 TRP A 11 -9.505 1.292 7.181 1.00 10.00 C ATOM 174 NE1 TRP A 11 -7.589 2.030 7.992 1.00 10.00 N ATOM 175 CE2 TRP A 11 -8.575 1.100 8.231 1.00 10.00 C ATOM 176 CE3 TRP A 11 -10.642 0.471 7.149 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -8.768 0.128 9.213 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -10.840 -0.509 8.137 1.00 10.00 C ATOM 179 CH2 TRP A 11 -9.905 -0.679 9.165 1.00 10.00 C ATOM 0 H TRP A 11 -10.208 2.469 2.801 1.00 10.00 H new ATOM 0 HA TRP A 11 -8.362 4.329 4.011 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -10.220 3.844 5.345 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -10.394 2.227 4.691 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -7.237 3.577 6.481 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -6.760 2.148 8.575 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -11.370 0.593 6.360 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -8.043 0.001 10.004 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -11.719 -1.135 8.103 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -10.064 -1.434 9.920 1.00 10.00 H new ATOM 190 N ILE A 12 -7.375 1.191 4.101 1.00 10.00 N ATOM 191 CA ILE A 12 -6.146 0.364 4.287 1.00 10.00 C ATOM 192 C ILE A 12 -5.177 0.568 3.116 1.00 10.00 C ATOM 193 O ILE A 12 -3.979 0.432 3.271 1.00 10.00 O ATOM 194 CB ILE A 12 -6.656 -1.079 4.342 1.00 10.00 C ATOM 195 CG1 ILE A 12 -7.462 -1.277 5.632 1.00 10.00 C ATOM 196 CG2 ILE A 12 -5.475 -2.057 4.316 1.00 10.00 C ATOM 197 CD1 ILE A 12 -6.555 -1.065 6.846 1.00 10.00 C ATOM 0 H ILE A 12 -8.225 0.662 3.907 1.00 10.00 H new ATOM 0 HA ILE A 12 -5.593 0.633 5.187 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.290 -1.272 3.477 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -8.296 -0.576 5.662 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -7.888 -2.280 5.655 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -5.849 -3.080 4.356 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -4.905 -1.914 3.398 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -4.831 -1.873 5.176 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -7.132 -1.207 7.760 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -5.736 -1.784 6.818 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -6.150 -0.053 6.825 1.00 10.00 H new ATOM 209 N CYS A 13 -5.679 0.900 1.952 1.00 10.00 N ATOM 210 CA CYS A 13 -4.776 1.116 0.783 1.00 10.00 C ATOM 211 C CYS A 13 -3.852 2.315 1.042 1.00 10.00 C ATOM 212 O CYS A 13 -2.687 2.294 0.692 1.00 10.00 O ATOM 213 CB CYS A 13 -5.702 1.392 -0.404 1.00 10.00 C ATOM 214 SG CYS A 13 -4.796 1.134 -1.950 1.00 10.00 S ATOM 0 H CYS A 13 -6.673 1.030 1.763 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.134 0.255 0.597 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -6.569 0.732 -0.364 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.077 2.414 -0.356 1.00 10.00 H new ATOM 0 HG CYS A 13 -5.583 1.366 -2.958 1.00 10.00 H new ATOM 220 N GLU A 14 -4.360 3.353 1.663 1.00 10.00 N ATOM 221 CA GLU A 14 -3.509 4.546 1.959 1.00 10.00 C ATOM 222 C GLU A 14 -2.525 4.212 3.087 1.00 10.00 C ATOM 223 O GLU A 14 -1.353 4.531 3.012 1.00 10.00 O ATOM 224 CB GLU A 14 -4.486 5.641 2.401 1.00 10.00 C ATOM 225 CG GLU A 14 -3.825 7.016 2.243 1.00 10.00 C ATOM 226 CD GLU A 14 -3.713 7.695 3.610 1.00 10.00 C ATOM 227 OE1 GLU A 14 -2.764 7.402 4.319 1.00 10.00 O ATOM 228 OE2 GLU A 14 -4.577 8.497 3.925 1.00 10.00 O ATOM 0 H GLU A 14 -5.328 3.424 1.977 1.00 10.00 H new ATOM 0 HA GLU A 14 -2.920 4.860 1.098 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -5.396 5.593 1.803 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -4.778 5.484 3.439 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -2.836 6.906 1.799 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -4.411 7.636 1.565 1.00 10.00 H new ATOM 235 N VAL A 15 -2.995 3.562 4.126 1.00 10.00 N ATOM 236 CA VAL A 15 -2.093 3.193 5.264 1.00 10.00 C ATOM 237 C VAL A 15 -1.027 2.188 4.793 1.00 10.00 C ATOM 238 O VAL A 15 0.096 2.203 5.261 1.00 10.00 O ATOM 239 CB VAL A 15 -3.012 2.560 6.320 1.00 10.00 C ATOM 240 CG1 VAL A 15 -2.178 2.057 7.504 1.00 10.00 C ATOM 241 CG2 VAL A 15 -4.014 3.608 6.822 1.00 10.00 C ATOM 0 H VAL A 15 -3.966 3.271 4.235 1.00 10.00 H new ATOM 0 HA VAL A 15 -1.558 4.055 5.662 1.00 10.00 H new ATOM 0 HB VAL A 15 -3.546 1.723 5.870 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -2.836 1.610 8.249 1.00 10.00 H new ATOM 0 HG12 VAL A 15 -1.464 1.311 7.155 1.00 10.00 H new ATOM 0 HG13 VAL A 15 -1.640 2.893 7.951 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -4.666 3.159 7.571 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -3.474 4.444 7.266 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -4.615 3.966 5.986 1.00 10.00 H new ATOM 251 N LEU A 16 -1.368 1.323 3.868 1.00 10.00 N ATOM 252 CA LEU A 16 -0.370 0.326 3.366 1.00 10.00 C ATOM 253 C LEU A 16 0.690 1.017 2.493 1.00 10.00 C ATOM 254 O LEU A 16 1.811 0.556 2.399 1.00 10.00 O ATOM 255 CB LEU A 16 -1.177 -0.679 2.538 1.00 10.00 C ATOM 256 CG LEU A 16 -0.376 -1.975 2.375 1.00 10.00 C ATOM 257 CD1 LEU A 16 -0.567 -2.859 3.611 1.00 10.00 C ATOM 258 CD2 LEU A 16 -0.866 -2.725 1.134 1.00 10.00 C ATOM 0 H LEU A 16 -2.292 1.264 3.440 1.00 10.00 H new ATOM 0 HA LEU A 16 0.163 -0.160 4.184 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.128 -0.887 3.027 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.407 -0.257 1.560 1.00 10.00 H new ATOM 0 HG LEU A 16 0.681 -1.733 2.263 1.00 10.00 H new ATOM 0 HD11 LEU A 16 0.004 -3.780 3.492 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -0.217 -2.327 4.496 1.00 10.00 H new ATOM 0 HD13 LEU A 16 -1.624 -3.100 3.726 1.00 10.00 H new ATOM 0 HD21 LEU A 16 -0.296 -3.647 1.018 1.00 10.00 H new ATOM 0 HD22 LEU A 16 -1.924 -2.964 1.247 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -0.727 -2.099 0.252 1.00 10.00 H new ATOM 270 N SER A 17 0.347 2.115 1.855 1.00 10.00 N ATOM 271 CA SER A 17 1.341 2.829 0.990 1.00 10.00 C ATOM 272 C SER A 17 2.602 3.164 1.792 1.00 10.00 C ATOM 273 O SER A 17 3.696 2.809 1.400 1.00 10.00 O ATOM 274 CB SER A 17 0.638 4.106 0.524 1.00 10.00 C ATOM 275 OG SER A 17 1.278 4.592 -0.651 1.00 10.00 O ATOM 0 H SER A 17 -0.577 2.545 1.897 1.00 10.00 H new ATOM 0 HA SER A 17 1.658 2.217 0.145 1.00 10.00 H new ATOM 0 HB2 SER A 17 -0.414 3.903 0.322 1.00 10.00 H new ATOM 0 HB3 SER A 17 0.672 4.861 1.309 1.00 10.00 H new ATOM 0 HG SER A 17 0.829 5.409 -0.954 1.00 10.00 H new ATOM 281 N ASP A 18 2.463 3.826 2.919 1.00 10.00 N ATOM 282 CA ASP A 18 3.670 4.159 3.743 1.00 10.00 C ATOM 283 C ASP A 18 4.421 2.870 4.101 1.00 10.00 C ATOM 284 O ASP A 18 5.635 2.818 4.056 1.00 10.00 O ATOM 285 CB ASP A 18 3.135 4.840 5.007 1.00 10.00 C ATOM 286 CG ASP A 18 3.145 6.360 4.815 1.00 10.00 C ATOM 287 OD1 ASP A 18 2.428 6.832 3.946 1.00 10.00 O ATOM 288 OD2 ASP A 18 3.869 7.026 5.539 1.00 10.00 O ATOM 0 H ASP A 18 1.573 4.147 3.301 1.00 10.00 H new ATOM 0 HA ASP A 18 4.367 4.806 3.210 1.00 10.00 H new ATOM 0 HB2 ASP A 18 2.122 4.496 5.216 1.00 10.00 H new ATOM 0 HB3 ASP A 18 3.748 4.568 5.866 1.00 10.00 H new ATOM 293 N PHE A 19 3.699 1.823 4.436 1.00 10.00 N ATOM 294 CA PHE A 19 4.360 0.525 4.777 1.00 10.00 C ATOM 295 C PHE A 19 5.010 -0.094 3.527 1.00 10.00 C ATOM 296 O PHE A 19 5.887 -0.929 3.628 1.00 10.00 O ATOM 297 CB PHE A 19 3.238 -0.376 5.302 1.00 10.00 C ATOM 298 CG PHE A 19 3.841 -1.541 6.053 1.00 10.00 C ATOM 299 CD1 PHE A 19 4.164 -1.407 7.408 1.00 10.00 C ATOM 300 CD2 PHE A 19 4.078 -2.752 5.392 1.00 10.00 C ATOM 301 CE1 PHE A 19 4.726 -2.486 8.103 1.00 10.00 C ATOM 302 CE2 PHE A 19 4.639 -3.829 6.087 1.00 10.00 C ATOM 303 CZ PHE A 19 4.963 -3.697 7.442 1.00 10.00 C ATOM 0 H PHE A 19 2.680 1.814 4.487 1.00 10.00 H new ATOM 0 HA PHE A 19 5.153 0.655 5.513 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.578 0.191 5.958 1.00 10.00 H new ATOM 0 HB3 PHE A 19 2.630 -0.739 4.473 1.00 10.00 H new ATOM 0 HD1 PHE A 19 3.980 -0.473 7.918 1.00 10.00 H new ATOM 0 HD2 PHE A 19 3.828 -2.855 4.346 1.00 10.00 H new ATOM 0 HE1 PHE A 19 4.976 -2.383 9.149 1.00 10.00 H new ATOM 0 HE2 PHE A 19 4.822 -4.763 5.577 1.00 10.00 H new ATOM 0 HZ PHE A 19 5.396 -4.529 7.978 1.00 10.00 H new ATOM 313 N LYS A 20 4.593 0.316 2.351 1.00 10.00 N ATOM 314 CA LYS A 20 5.197 -0.236 1.102 1.00 10.00 C ATOM 315 C LYS A 20 6.170 0.785 0.485 1.00 10.00 C ATOM 316 O LYS A 20 6.667 0.591 -0.609 1.00 10.00 O ATOM 317 CB LYS A 20 4.010 -0.486 0.162 1.00 10.00 C ATOM 318 CG LYS A 20 4.209 -1.816 -0.575 1.00 10.00 C ATOM 319 CD LYS A 20 4.643 -1.549 -2.020 1.00 10.00 C ATOM 320 CE LYS A 20 3.419 -1.184 -2.870 1.00 10.00 C ATOM 321 NZ LYS A 20 3.292 -2.283 -3.871 1.00 10.00 N ATOM 0 H LYS A 20 3.860 1.010 2.206 1.00 10.00 H new ATOM 0 HA LYS A 20 5.768 -1.146 1.287 1.00 10.00 H new ATOM 0 HB2 LYS A 20 3.081 -0.510 0.731 1.00 10.00 H new ATOM 0 HB3 LYS A 20 3.923 0.330 -0.556 1.00 10.00 H new ATOM 0 HG2 LYS A 20 4.962 -2.416 -0.064 1.00 10.00 H new ATOM 0 HG3 LYS A 20 3.283 -2.390 -0.564 1.00 10.00 H new ATOM 0 HD2 LYS A 20 5.371 -0.738 -2.047 1.00 10.00 H new ATOM 0 HD3 LYS A 20 5.133 -2.431 -2.431 1.00 10.00 H new ATOM 0 HE2 LYS A 20 2.522 -1.107 -2.255 1.00 10.00 H new ATOM 0 HE3 LYS A 20 3.554 -0.220 -3.360 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 2.474 -2.099 -4.487 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 4.156 -2.329 -4.448 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 3.157 -3.188 -3.377 1.00 10.00 H new ATOM 335 N THR A 21 6.449 1.867 1.179 1.00 10.00 N ATOM 336 CA THR A 21 7.389 2.894 0.635 1.00 10.00 C ATOM 337 C THR A 21 8.766 2.751 1.296 1.00 10.00 C ATOM 338 O THR A 21 9.785 2.849 0.637 1.00 10.00 O ATOM 339 CB THR A 21 6.750 4.247 0.981 1.00 10.00 C ATOM 340 OG1 THR A 21 5.561 4.420 0.219 1.00 10.00 O ATOM 341 CG2 THR A 21 7.726 5.385 0.661 1.00 10.00 C ATOM 0 H THR A 21 6.064 2.080 2.099 1.00 10.00 H new ATOM 0 HA THR A 21 7.544 2.788 -0.439 1.00 10.00 H new ATOM 0 HB THR A 21 6.512 4.266 2.045 1.00 10.00 H new ATOM 0 HG1 THR A 21 4.844 3.874 0.604 1.00 10.00 H new ATOM 0 HG21 THR A 21 7.265 6.341 0.909 1.00 10.00 H new ATOM 0 HG22 THR A 21 8.637 5.259 1.246 1.00 10.00 H new ATOM 0 HG23 THR A 21 7.972 5.366 -0.401 1.00 10.00 H new ATOM 349 N TRP A 22 8.808 2.520 2.591 1.00 10.00 N ATOM 350 CA TRP A 22 10.126 2.373 3.279 1.00 10.00 C ATOM 351 C TRP A 22 10.872 1.131 2.771 1.00 10.00 C ATOM 352 O TRP A 22 12.086 1.086 2.789 1.00 10.00 O ATOM 353 CB TRP A 22 9.816 2.285 4.785 1.00 10.00 C ATOM 354 CG TRP A 22 9.113 1.006 5.147 1.00 10.00 C ATOM 355 CD1 TRP A 22 7.784 0.892 5.377 1.00 10.00 C ATOM 356 CD2 TRP A 22 9.676 -0.326 5.362 1.00 10.00 C ATOM 357 NE1 TRP A 22 7.496 -0.418 5.712 1.00 10.00 N ATOM 358 CE2 TRP A 22 8.627 -1.207 5.714 1.00 10.00 C ATOM 359 CE3 TRP A 22 10.978 -0.850 5.281 1.00 10.00 C ATOM 360 CZ2 TRP A 22 8.861 -2.556 5.980 1.00 10.00 C ATOM 361 CZ3 TRP A 22 11.217 -2.208 5.548 1.00 10.00 C ATOM 362 CH2 TRP A 22 10.161 -3.058 5.897 1.00 10.00 C ATOM 0 H TRP A 22 7.990 2.428 3.194 1.00 10.00 H new ATOM 0 HA TRP A 22 10.784 3.218 3.074 1.00 10.00 H new ATOM 0 HB2 TRP A 22 10.745 2.359 5.350 1.00 10.00 H new ATOM 0 HB3 TRP A 22 9.197 3.133 5.077 1.00 10.00 H new ATOM 0 HD1 TRP A 22 7.065 1.695 5.310 1.00 10.00 H new ATOM 0 HE1 TRP A 22 6.560 -0.760 5.931 1.00 10.00 H new ATOM 0 HE3 TRP A 22 11.800 -0.204 5.012 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 8.042 -3.207 6.248 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 12.222 -2.599 5.484 1.00 10.00 H new ATOM 0 HH2 TRP A 22 10.352 -4.101 6.102 1.00 10.00 H new ATOM 373 N LEU A 23 10.160 0.134 2.296 1.00 10.00 N ATOM 374 CA LEU A 23 10.844 -1.088 1.765 1.00 10.00 C ATOM 375 C LEU A 23 11.643 -0.730 0.508 1.00 10.00 C ATOM 376 O LEU A 23 12.738 -1.221 0.300 1.00 10.00 O ATOM 377 CB LEU A 23 9.724 -2.072 1.430 1.00 10.00 C ATOM 378 CG LEU A 23 9.439 -2.942 2.652 1.00 10.00 C ATOM 379 CD1 LEU A 23 7.932 -3.099 2.829 1.00 10.00 C ATOM 380 CD2 LEU A 23 10.079 -4.320 2.464 1.00 10.00 C ATOM 0 H LEU A 23 9.141 0.114 2.254 1.00 10.00 H new ATOM 0 HA LEU A 23 11.545 -1.513 2.484 1.00 10.00 H new ATOM 0 HB2 LEU A 23 8.824 -1.531 1.136 1.00 10.00 H new ATOM 0 HB3 LEU A 23 10.012 -2.696 0.584 1.00 10.00 H new ATOM 0 HG LEU A 23 9.860 -2.466 3.538 1.00 10.00 H new ATOM 0 HD11 LEU A 23 7.731 -3.720 3.702 1.00 10.00 H new ATOM 0 HD12 LEU A 23 7.478 -2.118 2.970 1.00 10.00 H new ATOM 0 HD13 LEU A 23 7.509 -3.571 1.942 1.00 10.00 H new ATOM 0 HD21 LEU A 23 9.874 -4.939 3.338 1.00 10.00 H new ATOM 0 HD22 LEU A 23 9.663 -4.796 1.576 1.00 10.00 H new ATOM 0 HD23 LEU A 23 11.157 -4.207 2.344 1.00 10.00 H new ATOM 392 N LYS A 24 11.107 0.134 -0.323 1.00 10.00 N ATOM 393 CA LYS A 24 11.837 0.547 -1.561 1.00 10.00 C ATOM 394 C LYS A 24 13.114 1.309 -1.185 1.00 10.00 C ATOM 395 O LYS A 24 14.113 1.225 -1.870 1.00 10.00 O ATOM 396 CB LYS A 24 10.870 1.459 -2.320 1.00 10.00 C ATOM 397 CG LYS A 24 11.337 1.609 -3.771 1.00 10.00 C ATOM 398 CD LYS A 24 10.742 2.885 -4.373 1.00 10.00 C ATOM 399 CE LYS A 24 9.700 2.514 -5.432 1.00 10.00 C ATOM 400 NZ LYS A 24 9.069 3.806 -5.828 1.00 10.00 N ATOM 0 H LYS A 24 10.194 0.570 -0.195 1.00 10.00 H new ATOM 0 HA LYS A 24 12.138 -0.308 -2.166 1.00 10.00 H new ATOM 0 HB2 LYS A 24 9.863 1.042 -2.293 1.00 10.00 H new ATOM 0 HB3 LYS A 24 10.823 2.436 -1.840 1.00 10.00 H new ATOM 0 HG2 LYS A 24 12.426 1.649 -3.811 1.00 10.00 H new ATOM 0 HG3 LYS A 24 11.029 0.741 -4.354 1.00 10.00 H new ATOM 0 HD2 LYS A 24 10.282 3.488 -3.591 1.00 10.00 H new ATOM 0 HD3 LYS A 24 11.530 3.491 -4.820 1.00 10.00 H new ATOM 0 HE2 LYS A 24 10.165 2.024 -6.288 1.00 10.00 H new ATOM 0 HE3 LYS A 24 8.960 1.821 -5.031 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 8.343 3.630 -6.552 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 8.628 4.246 -4.996 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 9.795 4.443 -6.213 1.00 10.00 H new ATOM 414 N ALA A 25 13.092 2.042 -0.094 1.00 10.00 N ATOM 415 CA ALA A 25 14.315 2.792 0.335 1.00 10.00 C ATOM 416 C ALA A 25 15.459 1.807 0.606 1.00 10.00 C ATOM 417 O ALA A 25 16.614 2.104 0.369 1.00 10.00 O ATOM 418 CB ALA A 25 13.912 3.520 1.620 1.00 10.00 C ATOM 0 H ALA A 25 12.281 2.152 0.515 1.00 10.00 H new ATOM 0 HA ALA A 25 14.664 3.489 -0.427 1.00 10.00 H new ATOM 0 HB1 ALA A 25 14.760 4.093 1.995 1.00 10.00 H new ATOM 0 HB2 ALA A 25 13.082 4.195 1.411 1.00 10.00 H new ATOM 0 HB3 ALA A 25 13.606 2.791 2.371 1.00 10.00 H new ATOM 424 N LYS A 26 15.139 0.628 1.088 1.00 10.00 N ATOM 425 CA LYS A 26 16.195 -0.394 1.360 1.00 10.00 C ATOM 426 C LYS A 26 16.443 -1.237 0.098 1.00 10.00 C ATOM 427 O LYS A 26 17.535 -1.726 -0.124 1.00 10.00 O ATOM 428 CB LYS A 26 15.623 -1.261 2.491 1.00 10.00 C ATOM 429 CG LYS A 26 16.567 -2.432 2.788 1.00 10.00 C ATOM 430 CD LYS A 26 16.077 -3.687 2.055 1.00 10.00 C ATOM 431 CE LYS A 26 15.930 -4.846 3.048 1.00 10.00 C ATOM 432 NZ LYS A 26 14.557 -4.706 3.618 1.00 10.00 N ATOM 0 H LYS A 26 14.187 0.331 1.305 1.00 10.00 H new ATOM 0 HA LYS A 26 17.150 0.052 1.637 1.00 10.00 H new ATOM 0 HB2 LYS A 26 15.486 -0.658 3.388 1.00 10.00 H new ATOM 0 HB3 LYS A 26 14.640 -1.639 2.208 1.00 10.00 H new ATOM 0 HG2 LYS A 26 17.580 -2.185 2.470 1.00 10.00 H new ATOM 0 HG3 LYS A 26 16.606 -2.618 3.861 1.00 10.00 H new ATOM 0 HD2 LYS A 26 15.121 -3.487 1.572 1.00 10.00 H new ATOM 0 HD3 LYS A 26 16.781 -3.958 1.268 1.00 10.00 H new ATOM 0 HE2 LYS A 26 16.053 -5.808 2.550 1.00 10.00 H new ATOM 0 HE3 LYS A 26 16.688 -4.792 3.830 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 14.388 -5.467 4.306 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 14.470 -3.785 4.092 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 13.855 -4.769 2.853 1.00 10.00 H new ATOM 446 N LEU A 27 15.435 -1.414 -0.727 1.00 10.00 N ATOM 447 CA LEU A 27 15.605 -2.230 -1.970 1.00 10.00 C ATOM 448 C LEU A 27 16.222 -1.387 -3.098 1.00 10.00 C ATOM 449 O LEU A 27 17.292 -1.691 -3.590 1.00 10.00 O ATOM 450 CB LEU A 27 14.184 -2.681 -2.346 1.00 10.00 C ATOM 451 CG LEU A 27 14.220 -4.083 -2.970 1.00 10.00 C ATOM 452 CD1 LEU A 27 15.085 -4.067 -4.234 1.00 10.00 C ATOM 453 CD2 LEU A 27 14.801 -5.082 -1.963 1.00 10.00 C ATOM 0 H LEU A 27 14.501 -1.027 -0.591 1.00 10.00 H new ATOM 0 HA LEU A 27 16.277 -3.074 -1.814 1.00 10.00 H new ATOM 0 HB2 LEU A 27 13.550 -2.686 -1.460 1.00 10.00 H new ATOM 0 HB3 LEU A 27 13.744 -1.973 -3.049 1.00 10.00 H new ATOM 0 HG LEU A 27 13.206 -4.383 -3.233 1.00 10.00 H new ATOM 0 HD11 LEU A 27 15.107 -5.065 -4.673 1.00 10.00 H new ATOM 0 HD12 LEU A 27 14.665 -3.364 -4.953 1.00 10.00 H new ATOM 0 HD13 LEU A 27 16.099 -3.761 -3.977 1.00 10.00 H new ATOM 0 HD21 LEU A 27 14.825 -6.076 -2.409 1.00 10.00 H new ATOM 0 HD22 LEU A 27 15.813 -4.780 -1.694 1.00 10.00 H new ATOM 0 HD23 LEU A 27 14.178 -5.101 -1.069 1.00 10.00 H new ATOM 465 N MET A 28 15.554 -0.336 -3.511 1.00 10.00 N ATOM 466 CA MET A 28 16.099 0.520 -4.611 1.00 10.00 C ATOM 467 C MET A 28 16.853 1.725 -4.029 1.00 10.00 C ATOM 468 O MET A 28 16.274 2.540 -3.337 1.00 10.00 O ATOM 469 CB MET A 28 14.870 0.985 -5.400 1.00 10.00 C ATOM 470 CG MET A 28 15.307 1.504 -6.773 1.00 10.00 C ATOM 471 SD MET A 28 15.645 0.103 -7.869 1.00 10.00 S ATOM 472 CE MET A 28 16.447 1.038 -9.194 1.00 10.00 C ATOM 0 H MET A 28 14.656 -0.035 -3.134 1.00 10.00 H new ATOM 0 HA MET A 28 16.807 -0.021 -5.239 1.00 10.00 H new ATOM 0 HB2 MET A 28 14.168 0.160 -5.519 1.00 10.00 H new ATOM 0 HB3 MET A 28 14.349 1.770 -4.852 1.00 10.00 H new ATOM 0 HG2 MET A 28 14.527 2.134 -7.201 1.00 10.00 H new ATOM 0 HG3 MET A 28 16.198 2.124 -6.673 1.00 10.00 H new ATOM 0 HE1 MET A 28 17.061 0.366 -9.793 1.00 10.00 H new ATOM 0 HE2 MET A 28 15.687 1.497 -9.827 1.00 10.00 H new ATOM 0 HE3 MET A 28 17.076 1.816 -8.761 1.00 10.00 H new ATOM 482 N PRO A 29 18.129 1.799 -4.336 1.00 10.00 N ATOM 483 CA PRO A 29 18.970 2.919 -3.839 1.00 10.00 C ATOM 484 C PRO A 29 18.664 4.210 -4.615 1.00 10.00 C ATOM 485 O PRO A 29 17.786 4.246 -5.458 1.00 10.00 O ATOM 486 CB PRO A 29 20.395 2.444 -4.114 1.00 10.00 C ATOM 487 CG PRO A 29 20.274 1.467 -5.241 1.00 10.00 C ATOM 488 CD PRO A 29 18.899 0.856 -5.159 1.00 10.00 C ATOM 0 HA PRO A 29 18.797 3.151 -2.788 1.00 10.00 H new ATOM 0 HB2 PRO A 29 21.043 3.278 -4.384 1.00 10.00 H new ATOM 0 HB3 PRO A 29 20.831 1.975 -3.232 1.00 10.00 H new ATOM 0 HG2 PRO A 29 20.416 1.966 -6.199 1.00 10.00 H new ATOM 0 HG3 PRO A 29 21.042 0.697 -5.166 1.00 10.00 H new ATOM 0 HD2 PRO A 29 18.457 0.739 -6.148 1.00 10.00 H new ATOM 0 HD3 PRO A 29 18.931 -0.134 -4.705 1.00 10.00 H new ATOM 496 N GLN A 30 19.389 5.267 -4.337 1.00 10.00 N ATOM 497 CA GLN A 30 19.151 6.557 -5.059 1.00 10.00 C ATOM 498 C GLN A 30 19.376 6.367 -6.564 1.00 10.00 C ATOM 499 O GLN A 30 20.385 5.831 -6.986 1.00 10.00 O ATOM 500 CB GLN A 30 20.171 7.543 -4.480 1.00 10.00 C ATOM 501 CG GLN A 30 19.502 8.902 -4.255 1.00 10.00 C ATOM 502 CD GLN A 30 19.741 9.799 -5.471 1.00 10.00 C ATOM 503 OE1 GLN A 30 18.971 9.787 -6.409 1.00 10.00 O ATOM 504 NE2 GLN A 30 20.786 10.582 -5.496 1.00 10.00 N ATOM 0 H GLN A 30 20.135 5.292 -3.642 1.00 10.00 H new ATOM 0 HA GLN A 30 18.130 6.916 -4.931 1.00 10.00 H new ATOM 0 HB2 GLN A 30 20.567 7.161 -3.539 1.00 10.00 H new ATOM 0 HB3 GLN A 30 21.015 7.650 -5.161 1.00 10.00 H new ATOM 0 HG2 GLN A 30 18.432 8.770 -4.093 1.00 10.00 H new ATOM 0 HG3 GLN A 30 19.905 9.373 -3.358 1.00 10.00 H new ATOM 0 HE21 GLN A 30 21.434 10.593 -4.708 1.00 10.00 H new ATOM 0 HE22 GLN A 30 20.954 11.182 -6.303 1.00 10.00 H new ATOM 513 N LEU A 31 18.440 6.796 -7.372 1.00 10.00 N ATOM 514 CA LEU A 31 18.586 6.639 -8.854 1.00 10.00 C ATOM 515 C LEU A 31 18.106 7.902 -9.590 1.00 10.00 C ATOM 516 O LEU A 31 17.454 8.725 -8.968 1.00 10.00 O ATOM 517 CB LEU A 31 17.710 5.430 -9.213 1.00 10.00 C ATOM 518 CG LEU A 31 16.232 5.755 -8.961 1.00 10.00 C ATOM 519 CD1 LEU A 31 15.510 5.929 -10.299 1.00 10.00 C ATOM 520 CD2 LEU A 31 15.583 4.611 -8.178 1.00 10.00 C ATOM 521 OXT LEU A 31 18.402 8.019 -10.768 1.00 10.00 O ATOM 0 H LEU A 31 17.578 7.250 -7.070 1.00 10.00 H new ATOM 0 HA LEU A 31 19.625 6.492 -9.148 1.00 10.00 H new ATOM 0 HB2 LEU A 31 17.858 5.162 -10.259 1.00 10.00 H new ATOM 0 HB3 LEU A 31 18.007 4.567 -8.618 1.00 10.00 H new ATOM 0 HG LEU A 31 16.158 6.678 -8.386 1.00 10.00 H new ATOM 0 HD11 LEU A 31 14.460 6.160 -10.119 1.00 10.00 H new ATOM 0 HD12 LEU A 31 15.970 6.744 -10.857 1.00 10.00 H new ATOM 0 HD13 LEU A 31 15.585 5.007 -10.875 1.00 10.00 H new ATOM 0 HD21 LEU A 31 14.533 4.842 -7.999 1.00 10.00 H new ATOM 0 HD22 LEU A 31 15.658 3.688 -8.753 1.00 10.00 H new ATOM 0 HD23 LEU A 31 16.095 4.487 -7.224 1.00 10.00 H new TER 533 LEU A 31