USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 266 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= -0.127 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 56:sc= 1.35 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 -175:sc= -0.837 (180deg=-0.908) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -19.492 8.461 -8.891 1.00 10.00 N ATOM 2 CA SER A 1 -18.823 7.740 -7.765 1.00 10.00 C ATOM 3 C SER A 1 -19.785 7.591 -6.577 1.00 10.00 C ATOM 4 O SER A 1 -20.026 6.496 -6.104 1.00 10.00 O ATOM 5 CB SER A 1 -17.621 8.610 -7.383 1.00 10.00 C ATOM 6 OG SER A 1 -16.656 7.809 -6.715 1.00 10.00 O ATOM 0 H1 SER A 1 -18.829 8.554 -9.687 1.00 10.00 H new ATOM 0 H2 SER A 1 -20.328 7.925 -9.198 1.00 10.00 H new ATOM 0 H3 SER A 1 -19.785 9.407 -8.572 1.00 10.00 H new ATOM 0 HA SER A 1 -18.517 6.733 -8.050 1.00 10.00 H new ATOM 0 HB2 SER A 1 -17.184 9.058 -8.275 1.00 10.00 H new ATOM 0 HB3 SER A 1 -17.940 9.429 -6.738 1.00 10.00 H new ATOM 0 HG SER A 1 -15.885 8.362 -6.470 1.00 10.00 H new ATOM 14 N GLY A 2 -20.336 8.680 -6.094 1.00 10.00 N ATOM 15 CA GLY A 2 -21.283 8.601 -4.940 1.00 10.00 C ATOM 16 C GLY A 2 -20.516 8.246 -3.664 1.00 10.00 C ATOM 17 O GLY A 2 -19.601 8.942 -3.267 1.00 10.00 O ATOM 0 H GLY A 2 -20.169 9.621 -6.451 1.00 10.00 H new ATOM 0 HA2 GLY A 2 -21.797 9.554 -4.813 1.00 10.00 H new ATOM 0 HA3 GLY A 2 -22.048 7.850 -5.136 1.00 10.00 H new ATOM 21 N SER A 3 -20.884 7.166 -3.019 1.00 10.00 N ATOM 22 CA SER A 3 -20.179 6.757 -1.764 1.00 10.00 C ATOM 23 C SER A 3 -19.116 5.695 -2.079 1.00 10.00 C ATOM 24 O SER A 3 -19.267 4.530 -1.753 1.00 10.00 O ATOM 25 CB SER A 3 -21.275 6.191 -0.856 1.00 10.00 C ATOM 26 OG SER A 3 -21.040 6.613 0.481 1.00 10.00 O ATOM 0 H SER A 3 -21.643 6.549 -3.308 1.00 10.00 H new ATOM 0 HA SER A 3 -19.658 7.588 -1.288 1.00 10.00 H new ATOM 0 HB2 SER A 3 -22.254 6.533 -1.191 1.00 10.00 H new ATOM 0 HB3 SER A 3 -21.282 5.102 -0.910 1.00 10.00 H new ATOM 0 HG SER A 3 -21.740 6.254 1.065 1.00 10.00 H new ATOM 32 N TRP A 4 -18.040 6.093 -2.710 1.00 10.00 N ATOM 33 CA TRP A 4 -16.958 5.117 -3.051 1.00 10.00 C ATOM 34 C TRP A 4 -15.828 5.170 -2.006 1.00 10.00 C ATOM 35 O TRP A 4 -14.697 4.818 -2.291 1.00 10.00 O ATOM 36 CB TRP A 4 -16.451 5.560 -4.429 1.00 10.00 C ATOM 37 CG TRP A 4 -16.285 4.366 -5.315 1.00 10.00 C ATOM 38 CD1 TRP A 4 -17.272 3.501 -5.651 1.00 10.00 C ATOM 39 CD2 TRP A 4 -15.081 3.892 -5.984 1.00 10.00 C ATOM 40 NE1 TRP A 4 -16.748 2.526 -6.479 1.00 10.00 N ATOM 41 CE2 TRP A 4 -15.402 2.724 -6.715 1.00 10.00 C ATOM 42 CE3 TRP A 4 -13.755 4.358 -6.027 1.00 10.00 C ATOM 43 CZ2 TRP A 4 -14.440 2.041 -7.460 1.00 10.00 C ATOM 44 CZ3 TRP A 4 -12.785 3.674 -6.777 1.00 10.00 C ATOM 45 CH2 TRP A 4 -13.127 2.518 -7.493 1.00 10.00 C ATOM 0 H TRP A 4 -17.863 7.053 -3.005 1.00 10.00 H new ATOM 0 HA TRP A 4 -17.318 4.088 -3.059 1.00 10.00 H new ATOM 0 HB2 TRP A 4 -17.154 6.262 -4.877 1.00 10.00 H new ATOM 0 HB3 TRP A 4 -15.500 6.083 -4.326 1.00 10.00 H new ATOM 0 HD1 TRP A 4 -18.300 3.563 -5.325 1.00 10.00 H new ATOM 0 HE1 TRP A 4 -17.290 1.754 -6.868 1.00 10.00 H new ATOM 0 HE3 TRP A 4 -13.481 5.248 -5.480 1.00 10.00 H new ATOM 0 HZ2 TRP A 4 -14.708 1.150 -8.007 1.00 10.00 H new ATOM 0 HZ3 TRP A 4 -11.769 4.040 -6.803 1.00 10.00 H new ATOM 0 HH2 TRP A 4 -12.377 1.997 -8.069 1.00 10.00 H new ATOM 56 N LEU A 5 -16.126 5.595 -0.800 1.00 10.00 N ATOM 57 CA LEU A 5 -15.073 5.661 0.264 1.00 10.00 C ATOM 58 C LEU A 5 -14.624 4.245 0.645 1.00 10.00 C ATOM 59 O LEU A 5 -13.443 3.963 0.745 1.00 10.00 O ATOM 60 CB LEU A 5 -15.748 6.354 1.452 1.00 10.00 C ATOM 61 CG LEU A 5 -14.683 6.896 2.409 1.00 10.00 C ATOM 62 CD1 LEU A 5 -14.043 8.151 1.812 1.00 10.00 C ATOM 63 CD2 LEU A 5 -15.336 7.247 3.749 1.00 10.00 C ATOM 0 H LEU A 5 -17.054 5.899 -0.507 1.00 10.00 H new ATOM 0 HA LEU A 5 -14.184 6.199 -0.064 1.00 10.00 H new ATOM 0 HB2 LEU A 5 -16.381 7.168 1.098 1.00 10.00 H new ATOM 0 HB3 LEU A 5 -16.396 5.651 1.975 1.00 10.00 H new ATOM 0 HG LEU A 5 -13.915 6.137 2.562 1.00 10.00 H new ATOM 0 HD11 LEU A 5 -13.286 8.534 2.496 1.00 10.00 H new ATOM 0 HD12 LEU A 5 -13.578 7.904 0.858 1.00 10.00 H new ATOM 0 HD13 LEU A 5 -14.809 8.911 1.656 1.00 10.00 H new ATOM 0 HD21 LEU A 5 -14.580 7.633 4.432 1.00 10.00 H new ATOM 0 HD22 LEU A 5 -16.104 8.004 3.592 1.00 10.00 H new ATOM 0 HD23 LEU A 5 -15.790 6.354 4.178 1.00 10.00 H new ATOM 75 N ARG A 6 -15.563 3.350 0.847 1.00 10.00 N ATOM 76 CA ARG A 6 -15.206 1.944 1.208 1.00 10.00 C ATOM 77 C ARG A 6 -14.473 1.282 0.034 1.00 10.00 C ATOM 78 O ARG A 6 -13.561 0.501 0.226 1.00 10.00 O ATOM 79 CB ARG A 6 -16.544 1.246 1.477 1.00 10.00 C ATOM 80 CG ARG A 6 -16.667 0.920 2.969 1.00 10.00 C ATOM 81 CD ARG A 6 -18.094 1.218 3.444 1.00 10.00 C ATOM 82 NE ARG A 6 -17.974 2.429 4.308 1.00 10.00 N ATOM 83 CZ ARG A 6 -18.494 2.434 5.507 1.00 10.00 C ATOM 84 NH1 ARG A 6 -17.891 1.807 6.483 1.00 10.00 N ATOM 85 NH2 ARG A 6 -19.617 3.066 5.726 1.00 10.00 N ATOM 0 H ARG A 6 -16.564 3.535 0.777 1.00 10.00 H new ATOM 0 HA ARG A 6 -14.546 1.888 2.074 1.00 10.00 H new ATOM 0 HB2 ARG A 6 -17.369 1.888 1.166 1.00 10.00 H new ATOM 0 HB3 ARG A 6 -16.612 0.331 0.888 1.00 10.00 H new ATOM 0 HG2 ARG A 6 -16.426 -0.129 3.144 1.00 10.00 H new ATOM 0 HG3 ARG A 6 -15.952 1.511 3.541 1.00 10.00 H new ATOM 0 HD2 ARG A 6 -18.760 1.401 2.600 1.00 10.00 H new ATOM 0 HD3 ARG A 6 -18.508 0.377 4.000 1.00 10.00 H new ATOM 0 HE ARG A 6 -17.485 3.255 3.962 1.00 10.00 H new ATOM 0 HH11 ARG A 6 -17.015 1.314 6.308 1.00 10.00 H new ATOM 0 HH12 ARG A 6 -18.296 1.811 7.419 1.00 10.00 H new ATOM 0 HH21 ARG A 6 -20.085 3.554 4.962 1.00 10.00 H new ATOM 0 HH22 ARG A 6 -20.025 3.072 6.661 1.00 10.00 H new ATOM 99 N ASP A 7 -14.860 1.603 -1.180 1.00 10.00 N ATOM 100 CA ASP A 7 -14.186 1.015 -2.375 1.00 10.00 C ATOM 101 C ASP A 7 -12.697 1.391 -2.375 1.00 10.00 C ATOM 102 O ASP A 7 -11.846 0.591 -2.712 1.00 10.00 O ATOM 103 CB ASP A 7 -14.899 1.645 -3.575 1.00 10.00 C ATOM 104 CG ASP A 7 -16.118 0.802 -3.955 1.00 10.00 C ATOM 105 OD1 ASP A 7 -17.181 1.053 -3.410 1.00 10.00 O ATOM 106 OD2 ASP A 7 -15.970 -0.078 -4.788 1.00 10.00 O ATOM 0 H ASP A 7 -15.619 2.251 -1.391 1.00 10.00 H new ATOM 0 HA ASP A 7 -14.240 -0.074 -2.393 1.00 10.00 H new ATOM 0 HB2 ASP A 7 -15.210 2.661 -3.333 1.00 10.00 H new ATOM 0 HB3 ASP A 7 -14.215 1.714 -4.421 1.00 10.00 H new ATOM 111 N ILE A 8 -12.381 2.605 -1.990 1.00 10.00 N ATOM 112 CA ILE A 8 -10.950 3.039 -1.955 1.00 10.00 C ATOM 113 C ILE A 8 -10.194 2.280 -0.853 1.00 10.00 C ATOM 114 O ILE A 8 -9.042 1.930 -1.019 1.00 10.00 O ATOM 115 CB ILE A 8 -10.991 4.545 -1.654 1.00 10.00 C ATOM 116 CG1 ILE A 8 -11.559 5.299 -2.866 1.00 10.00 C ATOM 117 CG2 ILE A 8 -9.577 5.056 -1.354 1.00 10.00 C ATOM 118 CD1 ILE A 8 -10.676 5.062 -4.096 1.00 10.00 C ATOM 0 H ILE A 8 -13.054 3.314 -1.698 1.00 10.00 H new ATOM 0 HA ILE A 8 -10.432 2.832 -2.892 1.00 10.00 H new ATOM 0 HB ILE A 8 -11.628 4.717 -0.786 1.00 10.00 H new ATOM 0 HG12 ILE A 8 -12.576 4.963 -3.069 1.00 10.00 H new ATOM 0 HG13 ILE A 8 -11.613 6.366 -2.648 1.00 10.00 H new ATOM 0 HG21 ILE A 8 -9.614 6.124 -1.142 1.00 10.00 H new ATOM 0 HG22 ILE A 8 -9.175 4.528 -0.489 1.00 10.00 H new ATOM 0 HG23 ILE A 8 -8.936 4.880 -2.217 1.00 10.00 H new ATOM 0 HD11 ILE A 8 -11.088 5.601 -4.949 1.00 10.00 H new ATOM 0 HD12 ILE A 8 -9.667 5.420 -3.894 1.00 10.00 H new ATOM 0 HD13 ILE A 8 -10.644 3.996 -4.321 1.00 10.00 H new ATOM 130 N TRP A 9 -10.837 2.018 0.266 1.00 10.00 N ATOM 131 CA TRP A 9 -10.153 1.274 1.373 1.00 10.00 C ATOM 132 C TRP A 9 -9.614 -0.070 0.861 1.00 10.00 C ATOM 133 O TRP A 9 -8.526 -0.482 1.218 1.00 10.00 O ATOM 134 CB TRP A 9 -11.229 1.055 2.443 1.00 10.00 C ATOM 135 CG TRP A 9 -10.623 0.386 3.637 1.00 10.00 C ATOM 136 CD1 TRP A 9 -11.120 -0.715 4.247 1.00 10.00 C ATOM 137 CD2 TRP A 9 -9.415 0.748 4.371 1.00 10.00 C ATOM 138 NE1 TRP A 9 -10.297 -1.051 5.307 1.00 10.00 N ATOM 139 CE2 TRP A 9 -9.233 -0.178 5.424 1.00 10.00 C ATOM 140 CE3 TRP A 9 -8.471 1.781 4.228 1.00 10.00 C ATOM 141 CZ2 TRP A 9 -8.153 -0.085 6.302 1.00 10.00 C ATOM 142 CZ3 TRP A 9 -7.384 1.879 5.110 1.00 10.00 C ATOM 143 CH2 TRP A 9 -7.225 0.947 6.145 1.00 10.00 C ATOM 0 H TRP A 9 -11.802 2.287 0.458 1.00 10.00 H new ATOM 0 HA TRP A 9 -9.300 1.825 1.768 1.00 10.00 H new ATOM 0 HB2 TRP A 9 -11.668 2.010 2.733 1.00 10.00 H new ATOM 0 HB3 TRP A 9 -12.036 0.442 2.041 1.00 10.00 H new ATOM 0 HD1 TRP A 9 -12.014 -1.245 3.954 1.00 10.00 H new ATOM 0 HE1 TRP A 9 -10.456 -1.846 5.926 1.00 10.00 H new ATOM 0 HE3 TRP A 9 -8.584 2.504 3.434 1.00 10.00 H new ATOM 0 HZ2 TRP A 9 -8.035 -0.806 7.098 1.00 10.00 H new ATOM 0 HZ3 TRP A 9 -6.666 2.677 4.991 1.00 10.00 H new ATOM 0 HH2 TRP A 9 -6.386 1.027 6.820 1.00 10.00 H new ATOM 154 N ASP A 10 -10.358 -0.746 0.016 1.00 10.00 N ATOM 155 CA ASP A 10 -9.876 -2.050 -0.533 1.00 10.00 C ATOM 156 C ASP A 10 -8.621 -1.810 -1.380 1.00 10.00 C ATOM 157 O ASP A 10 -7.627 -2.497 -1.235 1.00 10.00 O ATOM 158 CB ASP A 10 -11.025 -2.577 -1.396 1.00 10.00 C ATOM 159 CG ASP A 10 -10.708 -3.999 -1.863 1.00 10.00 C ATOM 160 OD1 ASP A 10 -10.742 -4.897 -1.036 1.00 10.00 O ATOM 161 OD2 ASP A 10 -10.439 -4.166 -3.041 1.00 10.00 O ATOM 0 H ASP A 10 -11.276 -0.450 -0.315 1.00 10.00 H new ATOM 0 HA ASP A 10 -9.611 -2.763 0.247 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -11.954 -2.570 -0.826 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -11.174 -1.926 -2.257 1.00 10.00 H new ATOM 166 N TRP A 11 -8.651 -0.820 -2.241 1.00 10.00 N ATOM 167 CA TRP A 11 -7.449 -0.515 -3.075 1.00 10.00 C ATOM 168 C TRP A 11 -6.284 -0.117 -2.160 1.00 10.00 C ATOM 169 O TRP A 11 -5.146 -0.464 -2.411 1.00 10.00 O ATOM 170 CB TRP A 11 -7.854 0.654 -3.977 1.00 10.00 C ATOM 171 CG TRP A 11 -6.714 0.994 -4.883 1.00 10.00 C ATOM 172 CD1 TRP A 11 -6.300 0.240 -5.927 1.00 10.00 C ATOM 173 CD2 TRP A 11 -5.829 2.151 -4.836 1.00 10.00 C ATOM 174 NE1 TRP A 11 -5.219 0.862 -6.526 1.00 10.00 N ATOM 175 CE2 TRP A 11 -4.893 2.045 -5.891 1.00 10.00 C ATOM 176 CE3 TRP A 11 -5.752 3.272 -3.990 1.00 10.00 C ATOM 177 CZ2 TRP A 11 -3.913 3.015 -6.100 1.00 10.00 C ATOM 178 CZ3 TRP A 11 -4.767 4.252 -4.197 1.00 10.00 C ATOM 179 CH2 TRP A 11 -3.850 4.124 -5.250 1.00 10.00 C ATOM 0 H TRP A 11 -9.455 -0.213 -2.401 1.00 10.00 H new ATOM 0 HA TRP A 11 -7.125 -1.372 -3.666 1.00 10.00 H new ATOM 0 HB2 TRP A 11 -8.734 0.389 -4.564 1.00 10.00 H new ATOM 0 HB3 TRP A 11 -8.124 1.519 -3.372 1.00 10.00 H new ATOM 0 HD1 TRP A 11 -6.741 -0.694 -6.241 1.00 10.00 H new ATOM 0 HE1 TRP A 11 -4.723 0.492 -7.337 1.00 10.00 H new ATOM 0 HE3 TRP A 11 -6.454 3.380 -3.177 1.00 10.00 H new ATOM 0 HZ2 TRP A 11 -3.208 2.911 -6.912 1.00 10.00 H new ATOM 0 HZ3 TRP A 11 -4.716 5.109 -3.541 1.00 10.00 H new ATOM 0 HH2 TRP A 11 -3.096 4.881 -5.405 1.00 10.00 H new ATOM 190 N ILE A 12 -6.568 0.589 -1.085 1.00 10.00 N ATOM 191 CA ILE A 12 -5.480 0.980 -0.136 1.00 10.00 C ATOM 192 C ILE A 12 -4.796 -0.292 0.388 1.00 10.00 C ATOM 193 O ILE A 12 -3.597 -0.321 0.594 1.00 10.00 O ATOM 194 CB ILE A 12 -6.183 1.747 0.997 1.00 10.00 C ATOM 195 CG1 ILE A 12 -6.415 3.197 0.560 1.00 10.00 C ATOM 196 CG2 ILE A 12 -5.314 1.733 2.261 1.00 10.00 C ATOM 197 CD1 ILE A 12 -7.348 3.892 1.554 1.00 10.00 C ATOM 0 H ILE A 12 -7.502 0.908 -0.829 1.00 10.00 H new ATOM 0 HA ILE A 12 -4.709 1.596 -0.598 1.00 10.00 H new ATOM 0 HB ILE A 12 -7.137 1.267 1.213 1.00 10.00 H new ATOM 0 HG12 ILE A 12 -5.464 3.727 0.507 1.00 10.00 H new ATOM 0 HG13 ILE A 12 -6.850 3.221 -0.439 1.00 10.00 H new ATOM 0 HG21 ILE A 12 -5.821 2.279 3.057 1.00 10.00 H new ATOM 0 HG22 ILE A 12 -5.147 0.703 2.576 1.00 10.00 H new ATOM 0 HG23 ILE A 12 -4.356 2.207 2.049 1.00 10.00 H new ATOM 0 HD11 ILE A 12 -7.511 4.923 1.240 1.00 10.00 H new ATOM 0 HD12 ILE A 12 -8.303 3.367 1.585 1.00 10.00 H new ATOM 0 HD13 ILE A 12 -6.896 3.882 2.546 1.00 10.00 H new ATOM 209 N CYS A 13 -5.555 -1.349 0.576 1.00 10.00 N ATOM 210 CA CYS A 13 -4.958 -2.632 1.055 1.00 10.00 C ATOM 211 C CYS A 13 -3.998 -3.178 -0.010 1.00 10.00 C ATOM 212 O CYS A 13 -2.943 -3.696 0.303 1.00 10.00 O ATOM 213 CB CYS A 13 -6.147 -3.578 1.256 1.00 10.00 C ATOM 214 SG CYS A 13 -5.571 -5.128 1.993 1.00 10.00 S ATOM 0 H CYS A 13 -6.562 -1.375 0.417 1.00 10.00 H new ATOM 0 HA CYS A 13 -4.386 -2.513 1.975 1.00 10.00 H new ATOM 0 HB2 CYS A 13 -6.891 -3.111 1.901 1.00 10.00 H new ATOM 0 HB3 CYS A 13 -6.633 -3.776 0.301 1.00 10.00 H new ATOM 0 HG CYS A 13 -6.581 -5.928 2.165 1.00 10.00 H new ATOM 220 N GLU A 14 -4.349 -3.041 -1.272 1.00 10.00 N ATOM 221 CA GLU A 14 -3.450 -3.525 -2.362 1.00 10.00 C ATOM 222 C GLU A 14 -2.148 -2.723 -2.342 1.00 10.00 C ATOM 223 O GLU A 14 -1.064 -3.271 -2.408 1.00 10.00 O ATOM 224 CB GLU A 14 -4.220 -3.265 -3.658 1.00 10.00 C ATOM 225 CG GLU A 14 -5.133 -4.454 -3.967 1.00 10.00 C ATOM 226 CD GLU A 14 -6.400 -3.955 -4.667 1.00 10.00 C ATOM 227 OE1 GLU A 14 -6.347 -3.743 -5.866 1.00 10.00 O ATOM 228 OE2 GLU A 14 -7.400 -3.791 -3.989 1.00 10.00 O ATOM 0 H GLU A 14 -5.220 -2.614 -1.588 1.00 10.00 H new ATOM 0 HA GLU A 14 -3.188 -4.577 -2.254 1.00 10.00 H new ATOM 0 HB2 GLU A 14 -4.812 -2.355 -3.563 1.00 10.00 H new ATOM 0 HB3 GLU A 14 -3.523 -3.107 -4.481 1.00 10.00 H new ATOM 0 HG2 GLU A 14 -4.612 -5.171 -4.602 1.00 10.00 H new ATOM 0 HG3 GLU A 14 -5.394 -4.975 -3.046 1.00 10.00 H new ATOM 235 N VAL A 15 -2.258 -1.424 -2.228 1.00 10.00 N ATOM 236 CA VAL A 15 -1.039 -0.557 -2.178 1.00 10.00 C ATOM 237 C VAL A 15 -0.210 -0.899 -0.929 1.00 10.00 C ATOM 238 O VAL A 15 0.999 -0.768 -0.926 1.00 10.00 O ATOM 239 CB VAL A 15 -1.564 0.885 -2.107 1.00 10.00 C ATOM 240 CG1 VAL A 15 -0.389 1.858 -1.967 1.00 10.00 C ATOM 241 CG2 VAL A 15 -2.340 1.217 -3.386 1.00 10.00 C ATOM 0 H VAL A 15 -3.144 -0.923 -2.167 1.00 10.00 H new ATOM 0 HA VAL A 15 -0.392 -0.701 -3.043 1.00 10.00 H new ATOM 0 HB VAL A 15 -2.223 0.980 -1.244 1.00 10.00 H new ATOM 0 HG11 VAL A 15 -0.766 2.879 -1.917 1.00 10.00 H new ATOM 0 HG12 VAL A 15 0.165 1.631 -1.056 1.00 10.00 H new ATOM 0 HG13 VAL A 15 0.272 1.757 -2.828 1.00 10.00 H new ATOM 0 HG21 VAL A 15 -2.711 2.241 -3.331 1.00 10.00 H new ATOM 0 HG22 VAL A 15 -1.681 1.115 -4.248 1.00 10.00 H new ATOM 0 HG23 VAL A 15 -3.181 0.532 -3.489 1.00 10.00 H new ATOM 251 N LEU A 16 -0.858 -1.347 0.125 1.00 10.00 N ATOM 252 CA LEU A 16 -0.121 -1.717 1.373 1.00 10.00 C ATOM 253 C LEU A 16 0.887 -2.836 1.073 1.00 10.00 C ATOM 254 O LEU A 16 2.004 -2.817 1.557 1.00 10.00 O ATOM 255 CB LEU A 16 -1.207 -2.202 2.348 1.00 10.00 C ATOM 256 CG LEU A 16 -0.736 -2.047 3.803 1.00 10.00 C ATOM 257 CD1 LEU A 16 0.363 -3.068 4.107 1.00 10.00 C ATOM 258 CD2 LEU A 16 -0.195 -0.630 4.032 1.00 10.00 C ATOM 0 H LEU A 16 -1.869 -1.471 0.171 1.00 10.00 H new ATOM 0 HA LEU A 16 0.446 -0.884 1.787 1.00 10.00 H new ATOM 0 HB2 LEU A 16 -2.123 -1.631 2.194 1.00 10.00 H new ATOM 0 HB3 LEU A 16 -1.444 -3.247 2.146 1.00 10.00 H new ATOM 0 HG LEU A 16 -1.583 -2.220 4.467 1.00 10.00 H new ATOM 0 HD11 LEU A 16 0.692 -2.952 5.140 1.00 10.00 H new ATOM 0 HD12 LEU A 16 -0.026 -4.076 3.961 1.00 10.00 H new ATOM 0 HD13 LEU A 16 1.207 -2.904 3.437 1.00 10.00 H new ATOM 0 HD21 LEU A 16 0.136 -0.530 5.066 1.00 10.00 H new ATOM 0 HD22 LEU A 16 0.646 -0.449 3.362 1.00 10.00 H new ATOM 0 HD23 LEU A 16 -0.982 0.097 3.831 1.00 10.00 H new ATOM 270 N SER A 17 0.507 -3.800 0.263 1.00 10.00 N ATOM 271 CA SER A 17 1.453 -4.906 -0.087 1.00 10.00 C ATOM 272 C SER A 17 2.699 -4.319 -0.757 1.00 10.00 C ATOM 273 O SER A 17 3.817 -4.659 -0.415 1.00 10.00 O ATOM 274 CB SER A 17 0.691 -5.808 -1.061 1.00 10.00 C ATOM 275 OG SER A 17 0.347 -7.021 -0.403 1.00 10.00 O ATOM 0 H SER A 17 -0.415 -3.866 -0.168 1.00 10.00 H new ATOM 0 HA SER A 17 1.783 -5.462 0.790 1.00 10.00 H new ATOM 0 HB2 SER A 17 -0.209 -5.304 -1.414 1.00 10.00 H new ATOM 0 HB3 SER A 17 1.304 -6.017 -1.938 1.00 10.00 H new ATOM 0 HG SER A 17 -0.143 -7.602 -1.022 1.00 10.00 H new ATOM 281 N ASP A 18 2.509 -3.418 -1.694 1.00 10.00 N ATOM 282 CA ASP A 18 3.676 -2.779 -2.372 1.00 10.00 C ATOM 283 C ASP A 18 4.354 -1.801 -1.411 1.00 10.00 C ATOM 284 O ASP A 18 5.557 -1.642 -1.432 1.00 10.00 O ATOM 285 CB ASP A 18 3.096 -2.034 -3.579 1.00 10.00 C ATOM 286 CG ASP A 18 4.230 -1.341 -4.343 1.00 10.00 C ATOM 287 OD1 ASP A 18 5.090 -2.042 -4.849 1.00 10.00 O ATOM 288 OD2 ASP A 18 4.220 -0.122 -4.405 1.00 10.00 O ATOM 0 H ASP A 18 1.595 -3.100 -2.016 1.00 10.00 H new ATOM 0 HA ASP A 18 4.425 -3.508 -2.680 1.00 10.00 H new ATOM 0 HB2 ASP A 18 2.574 -2.731 -4.234 1.00 10.00 H new ATOM 0 HB3 ASP A 18 2.363 -1.298 -3.248 1.00 10.00 H new ATOM 293 N PHE A 19 3.589 -1.159 -0.554 1.00 10.00 N ATOM 294 CA PHE A 19 4.189 -0.207 0.431 1.00 10.00 C ATOM 295 C PHE A 19 5.262 -0.933 1.248 1.00 10.00 C ATOM 296 O PHE A 19 6.276 -0.363 1.601 1.00 10.00 O ATOM 297 CB PHE A 19 3.027 0.226 1.332 1.00 10.00 C ATOM 298 CG PHE A 19 2.793 1.713 1.190 1.00 10.00 C ATOM 299 CD1 PHE A 19 2.481 2.259 -0.062 1.00 10.00 C ATOM 300 CD2 PHE A 19 2.886 2.546 2.312 1.00 10.00 C ATOM 301 CE1 PHE A 19 2.263 3.636 -0.190 1.00 10.00 C ATOM 302 CE2 PHE A 19 2.666 3.922 2.184 1.00 10.00 C ATOM 303 CZ PHE A 19 2.355 4.467 0.932 1.00 10.00 C ATOM 0 H PHE A 19 2.575 -1.256 -0.497 1.00 10.00 H new ATOM 0 HA PHE A 19 4.664 0.650 -0.048 1.00 10.00 H new ATOM 0 HB2 PHE A 19 2.123 -0.321 1.063 1.00 10.00 H new ATOM 0 HB3 PHE A 19 3.250 -0.018 2.371 1.00 10.00 H new ATOM 0 HD1 PHE A 19 2.409 1.618 -0.928 1.00 10.00 H new ATOM 0 HD2 PHE A 19 3.128 2.126 3.277 1.00 10.00 H new ATOM 0 HE1 PHE A 19 2.024 4.057 -1.155 1.00 10.00 H new ATOM 0 HE2 PHE A 19 2.736 4.563 3.050 1.00 10.00 H new ATOM 0 HZ PHE A 19 2.186 5.529 0.832 1.00 10.00 H new ATOM 313 N LYS A 20 5.048 -2.199 1.529 1.00 10.00 N ATOM 314 CA LYS A 20 6.054 -2.990 2.299 1.00 10.00 C ATOM 315 C LYS A 20 7.384 -3.008 1.536 1.00 10.00 C ATOM 316 O LYS A 20 8.441 -2.836 2.113 1.00 10.00 O ATOM 317 CB LYS A 20 5.458 -4.396 2.391 1.00 10.00 C ATOM 318 CG LYS A 20 6.346 -5.282 3.268 1.00 10.00 C ATOM 319 CD LYS A 20 5.600 -6.575 3.609 1.00 10.00 C ATOM 320 CE LYS A 20 5.304 -7.358 2.323 1.00 10.00 C ATOM 321 NZ LYS A 20 5.810 -8.736 2.580 1.00 10.00 N ATOM 0 H LYS A 20 4.214 -2.718 1.255 1.00 10.00 H new ATOM 0 HA LYS A 20 6.257 -2.575 3.286 1.00 10.00 H new ATOM 0 HB2 LYS A 20 4.452 -4.347 2.809 1.00 10.00 H new ATOM 0 HB3 LYS A 20 5.369 -4.829 1.394 1.00 10.00 H new ATOM 0 HG2 LYS A 20 7.275 -5.512 2.747 1.00 10.00 H new ATOM 0 HG3 LYS A 20 6.616 -4.753 4.182 1.00 10.00 H new ATOM 0 HD2 LYS A 20 6.199 -7.183 4.287 1.00 10.00 H new ATOM 0 HD3 LYS A 20 4.669 -6.343 4.127 1.00 10.00 H new ATOM 0 HE2 LYS A 20 4.236 -7.365 2.103 1.00 10.00 H new ATOM 0 HE3 LYS A 20 5.803 -6.909 1.465 1.00 10.00 H new ATOM 0 HZ1 LYS A 20 5.642 -9.329 1.743 1.00 10.00 H new ATOM 0 HZ2 LYS A 20 6.830 -8.700 2.779 1.00 10.00 H new ATOM 0 HZ3 LYS A 20 5.312 -9.142 3.398 1.00 10.00 H new ATOM 335 N THR A 21 7.333 -3.198 0.237 1.00 10.00 N ATOM 336 CA THR A 21 8.590 -3.203 -0.576 1.00 10.00 C ATOM 337 C THR A 21 9.027 -1.760 -0.845 1.00 10.00 C ATOM 338 O THR A 21 10.201 -1.448 -0.816 1.00 10.00 O ATOM 339 CB THR A 21 8.248 -3.920 -1.895 1.00 10.00 C ATOM 340 OG1 THR A 21 6.845 -3.880 -2.131 1.00 10.00 O ATOM 341 CG2 THR A 21 8.707 -5.375 -1.819 1.00 10.00 C ATOM 0 H THR A 21 6.475 -3.350 -0.293 1.00 10.00 H new ATOM 0 HA THR A 21 9.407 -3.708 -0.061 1.00 10.00 H new ATOM 0 HB THR A 21 8.760 -3.413 -2.713 1.00 10.00 H new ATOM 0 HG1 THR A 21 6.539 -2.949 -2.127 1.00 10.00 H new ATOM 0 HG21 THR A 21 8.465 -5.882 -2.753 1.00 10.00 H new ATOM 0 HG22 THR A 21 9.784 -5.409 -1.657 1.00 10.00 H new ATOM 0 HG23 THR A 21 8.200 -5.874 -0.993 1.00 10.00 H new ATOM 349 N TRP A 22 8.085 -0.878 -1.088 1.00 10.00 N ATOM 350 CA TRP A 22 8.433 0.553 -1.339 1.00 10.00 C ATOM 351 C TRP A 22 9.195 1.114 -0.135 1.00 10.00 C ATOM 352 O TRP A 22 10.250 1.701 -0.275 1.00 10.00 O ATOM 353 CB TRP A 22 7.088 1.266 -1.499 1.00 10.00 C ATOM 354 CG TRP A 22 7.272 2.511 -2.305 1.00 10.00 C ATOM 355 CD1 TRP A 22 7.039 2.619 -3.633 1.00 10.00 C ATOM 356 CD2 TRP A 22 7.720 3.824 -1.861 1.00 10.00 C ATOM 357 NE1 TRP A 22 7.317 3.915 -4.032 1.00 10.00 N ATOM 358 CE2 TRP A 22 7.740 4.695 -2.975 1.00 10.00 C ATOM 359 CE3 TRP A 22 8.107 4.338 -0.610 1.00 10.00 C ATOM 360 CZ2 TRP A 22 8.131 6.029 -2.853 1.00 10.00 C ATOM 361 CZ3 TRP A 22 8.502 5.680 -0.483 1.00 10.00 C ATOM 362 CH2 TRP A 22 8.512 6.523 -1.603 1.00 10.00 C ATOM 0 H TRP A 22 7.088 -1.091 -1.123 1.00 10.00 H new ATOM 0 HA TRP A 22 9.067 0.683 -2.216 1.00 10.00 H new ATOM 0 HB2 TRP A 22 6.372 0.606 -1.989 1.00 10.00 H new ATOM 0 HB3 TRP A 22 6.677 1.512 -0.520 1.00 10.00 H new ATOM 0 HD1 TRP A 22 6.693 1.824 -4.277 1.00 10.00 H new ATOM 0 HE1 TRP A 22 7.221 4.252 -4.990 1.00 10.00 H new ATOM 0 HE3 TRP A 22 8.100 3.696 0.259 1.00 10.00 H new ATOM 0 HZ2 TRP A 22 8.139 6.675 -3.719 1.00 10.00 H new ATOM 0 HZ3 TRP A 22 8.799 6.064 0.482 1.00 10.00 H new ATOM 0 HH2 TRP A 22 8.814 7.555 -1.500 1.00 10.00 H new ATOM 373 N LEU A 23 8.661 0.922 1.047 1.00 10.00 N ATOM 374 CA LEU A 23 9.343 1.426 2.282 1.00 10.00 C ATOM 375 C LEU A 23 10.691 0.717 2.471 1.00 10.00 C ATOM 376 O LEU A 23 11.651 1.316 2.916 1.00 10.00 O ATOM 377 CB LEU A 23 8.395 1.094 3.439 1.00 10.00 C ATOM 378 CG LEU A 23 7.513 2.311 3.747 1.00 10.00 C ATOM 379 CD1 LEU A 23 6.052 1.869 3.871 1.00 10.00 C ATOM 380 CD2 LEU A 23 7.965 2.947 5.065 1.00 10.00 C ATOM 0 H LEU A 23 7.779 0.436 1.211 1.00 10.00 H new ATOM 0 HA LEU A 23 9.549 2.495 2.225 1.00 10.00 H new ATOM 0 HB2 LEU A 23 7.773 0.238 3.178 1.00 10.00 H new ATOM 0 HB3 LEU A 23 8.968 0.814 4.323 1.00 10.00 H new ATOM 0 HG LEU A 23 7.605 3.038 2.940 1.00 10.00 H new ATOM 0 HD11 LEU A 23 5.427 2.735 4.090 1.00 10.00 H new ATOM 0 HD12 LEU A 23 5.728 1.415 2.934 1.00 10.00 H new ATOM 0 HD13 LEU A 23 5.959 1.142 4.677 1.00 10.00 H new ATOM 0 HD21 LEU A 23 7.339 3.812 5.285 1.00 10.00 H new ATOM 0 HD22 LEU A 23 7.874 2.219 5.871 1.00 10.00 H new ATOM 0 HD23 LEU A 23 9.004 3.264 4.978 1.00 10.00 H new ATOM 392 N LYS A 24 10.775 -0.552 2.134 1.00 10.00 N ATOM 393 CA LYS A 24 12.070 -1.287 2.292 1.00 10.00 C ATOM 394 C LYS A 24 13.130 -0.700 1.348 1.00 10.00 C ATOM 395 O LYS A 24 14.283 -0.562 1.710 1.00 10.00 O ATOM 396 CB LYS A 24 11.763 -2.742 1.924 1.00 10.00 C ATOM 397 CG LYS A 24 11.331 -3.506 3.179 1.00 10.00 C ATOM 398 CD LYS A 24 11.187 -4.995 2.855 1.00 10.00 C ATOM 399 CE LYS A 24 11.166 -5.802 4.159 1.00 10.00 C ATOM 400 NZ LYS A 24 11.045 -7.230 3.739 1.00 10.00 N ATOM 0 H LYS A 24 10.005 -1.106 1.758 1.00 10.00 H new ATOM 0 HA LYS A 24 12.466 -1.206 3.304 1.00 10.00 H new ATOM 0 HB2 LYS A 24 10.974 -2.780 1.173 1.00 10.00 H new ATOM 0 HB3 LYS A 24 12.644 -3.211 1.485 1.00 10.00 H new ATOM 0 HG2 LYS A 24 12.066 -3.366 3.972 1.00 10.00 H new ATOM 0 HG3 LYS A 24 10.384 -3.111 3.548 1.00 10.00 H new ATOM 0 HD2 LYS A 24 10.270 -5.169 2.292 1.00 10.00 H new ATOM 0 HD3 LYS A 24 12.014 -5.323 2.225 1.00 10.00 H new ATOM 0 HE2 LYS A 24 12.075 -5.638 4.737 1.00 10.00 H new ATOM 0 HE3 LYS A 24 10.329 -5.506 4.791 1.00 10.00 H new ATOM 0 HZ1 LYS A 24 11.025 -7.839 4.582 1.00 10.00 H new ATOM 0 HZ2 LYS A 24 10.167 -7.359 3.197 1.00 10.00 H new ATOM 0 HZ3 LYS A 24 11.859 -7.487 3.145 1.00 10.00 H new ATOM 414 N ALA A 25 12.741 -0.342 0.146 1.00 10.00 N ATOM 415 CA ALA A 25 13.717 0.251 -0.823 1.00 10.00 C ATOM 416 C ALA A 25 14.204 1.617 -0.316 1.00 10.00 C ATOM 417 O ALA A 25 15.363 1.959 -0.450 1.00 10.00 O ATOM 418 CB ALA A 25 12.939 0.410 -2.131 1.00 10.00 C ATOM 0 H ALA A 25 11.788 -0.435 -0.205 1.00 10.00 H new ATOM 0 HA ALA A 25 14.600 -0.375 -0.951 1.00 10.00 H new ATOM 0 HB1 ALA A 25 13.590 0.840 -2.892 1.00 10.00 H new ATOM 0 HB2 ALA A 25 12.586 -0.566 -2.465 1.00 10.00 H new ATOM 0 HB3 ALA A 25 12.086 1.069 -1.969 1.00 10.00 H new ATOM 424 N LYS A 26 13.325 2.394 0.272 1.00 10.00 N ATOM 425 CA LYS A 26 13.733 3.733 0.799 1.00 10.00 C ATOM 426 C LYS A 26 14.546 3.573 2.096 1.00 10.00 C ATOM 427 O LYS A 26 15.328 4.436 2.453 1.00 10.00 O ATOM 428 CB LYS A 26 12.417 4.471 1.072 1.00 10.00 C ATOM 429 CG LYS A 26 12.681 5.977 1.167 1.00 10.00 C ATOM 430 CD LYS A 26 12.812 6.570 -0.240 1.00 10.00 C ATOM 431 CE LYS A 26 12.938 8.096 -0.148 1.00 10.00 C ATOM 432 NZ LYS A 26 14.403 8.378 -0.204 1.00 10.00 N ATOM 0 H LYS A 26 12.342 2.157 0.409 1.00 10.00 H new ATOM 0 HA LYS A 26 14.366 4.277 0.097 1.00 10.00 H new ATOM 0 HB2 LYS A 26 11.702 4.267 0.275 1.00 10.00 H new ATOM 0 HB3 LYS A 26 11.972 4.111 2.000 1.00 10.00 H new ATOM 0 HG2 LYS A 26 11.867 6.465 1.703 1.00 10.00 H new ATOM 0 HG3 LYS A 26 13.593 6.161 1.736 1.00 10.00 H new ATOM 0 HD2 LYS A 26 13.686 6.153 -0.741 1.00 10.00 H new ATOM 0 HD3 LYS A 26 11.942 6.303 -0.840 1.00 10.00 H new ATOM 0 HE2 LYS A 26 12.413 8.584 -0.969 1.00 10.00 H new ATOM 0 HE3 LYS A 26 12.501 8.471 0.777 1.00 10.00 H new ATOM 0 HZ1 LYS A 26 14.561 9.404 -0.146 1.00 10.00 H new ATOM 0 HZ2 LYS A 26 14.878 7.909 0.594 1.00 10.00 H new ATOM 0 HZ3 LYS A 26 14.792 8.018 -1.099 1.00 10.00 H new ATOM 446 N LEU A 27 14.364 2.476 2.797 1.00 10.00 N ATOM 447 CA LEU A 27 15.121 2.249 4.072 1.00 10.00 C ATOM 448 C LEU A 27 16.635 2.271 3.818 1.00 10.00 C ATOM 449 O LEU A 27 17.392 2.808 4.605 1.00 10.00 O ATOM 450 CB LEU A 27 14.678 0.863 4.554 1.00 10.00 C ATOM 451 CG LEU A 27 14.504 0.878 6.075 1.00 10.00 C ATOM 452 CD1 LEU A 27 13.346 -0.043 6.466 1.00 10.00 C ATOM 453 CD2 LEU A 27 15.792 0.387 6.740 1.00 10.00 C ATOM 0 H LEU A 27 13.722 1.726 2.540 1.00 10.00 H new ATOM 0 HA LEU A 27 14.919 3.026 4.809 1.00 10.00 H new ATOM 0 HB2 LEU A 27 13.741 0.583 4.074 1.00 10.00 H new ATOM 0 HB3 LEU A 27 15.418 0.115 4.270 1.00 10.00 H new ATOM 0 HG LEU A 27 14.288 1.894 6.406 1.00 10.00 H new ATOM 0 HD11 LEU A 27 13.222 -0.032 7.549 1.00 10.00 H new ATOM 0 HD12 LEU A 27 12.428 0.305 5.992 1.00 10.00 H new ATOM 0 HD13 LEU A 27 13.562 -1.059 6.136 1.00 10.00 H new ATOM 0 HD21 LEU A 27 15.669 0.397 7.823 1.00 10.00 H new ATOM 0 HD22 LEU A 27 16.008 -0.629 6.409 1.00 10.00 H new ATOM 0 HD23 LEU A 27 16.618 1.042 6.462 1.00 10.00 H new ATOM 465 N MET A 28 17.080 1.695 2.724 1.00 10.00 N ATOM 466 CA MET A 28 18.546 1.690 2.420 1.00 10.00 C ATOM 467 C MET A 28 19.033 3.125 2.170 1.00 10.00 C ATOM 468 O MET A 28 18.546 3.794 1.278 1.00 10.00 O ATOM 469 CB MET A 28 18.694 0.842 1.151 1.00 10.00 C ATOM 470 CG MET A 28 20.179 0.656 0.825 1.00 10.00 C ATOM 471 SD MET A 28 20.671 -1.049 1.183 1.00 10.00 S ATOM 472 CE MET A 28 21.043 -0.818 2.939 1.00 10.00 C ATOM 0 H MET A 28 16.492 1.230 2.032 1.00 10.00 H new ATOM 0 HA MET A 28 19.137 1.288 3.243 1.00 10.00 H new ATOM 0 HB2 MET A 28 18.219 -0.129 1.293 1.00 10.00 H new ATOM 0 HB3 MET A 28 18.187 1.327 0.317 1.00 10.00 H new ATOM 0 HG2 MET A 28 20.363 0.885 -0.225 1.00 10.00 H new ATOM 0 HG3 MET A 28 20.780 1.350 1.413 1.00 10.00 H new ATOM 0 HE1 MET A 28 21.456 -1.740 3.348 1.00 10.00 H new ATOM 0 HE2 MET A 28 21.769 -0.013 3.054 1.00 10.00 H new ATOM 0 HE3 MET A 28 20.129 -0.562 3.474 1.00 10.00 H new ATOM 482 N PRO A 29 19.981 3.557 2.973 1.00 10.00 N ATOM 483 CA PRO A 29 20.531 4.931 2.832 1.00 10.00 C ATOM 484 C PRO A 29 21.384 5.058 1.564 1.00 10.00 C ATOM 485 O PRO A 29 21.576 4.107 0.829 1.00 10.00 O ATOM 486 CB PRO A 29 21.386 5.108 4.084 1.00 10.00 C ATOM 487 CG PRO A 29 21.750 3.719 4.503 1.00 10.00 C ATOM 488 CD PRO A 29 20.623 2.819 4.070 1.00 10.00 C ATOM 0 HA PRO A 29 19.752 5.688 2.740 1.00 10.00 H new ATOM 0 HB2 PRO A 29 22.275 5.703 3.874 1.00 10.00 H new ATOM 0 HB3 PRO A 29 20.834 5.625 4.869 1.00 10.00 H new ATOM 0 HG2 PRO A 29 22.689 3.411 4.042 1.00 10.00 H new ATOM 0 HG3 PRO A 29 21.892 3.667 5.582 1.00 10.00 H new ATOM 0 HD2 PRO A 29 20.992 1.849 3.736 1.00 10.00 H new ATOM 0 HD3 PRO A 29 19.926 2.631 4.887 1.00 10.00 H new ATOM 496 N GLN A 30 21.897 6.236 1.312 1.00 10.00 N ATOM 497 CA GLN A 30 22.742 6.450 0.096 1.00 10.00 C ATOM 498 C GLN A 30 23.759 7.574 0.348 1.00 10.00 C ATOM 499 O GLN A 30 23.597 8.691 -0.111 1.00 10.00 O ATOM 500 CB GLN A 30 21.757 6.828 -1.025 1.00 10.00 C ATOM 501 CG GLN A 30 20.869 8.003 -0.589 1.00 10.00 C ATOM 502 CD GLN A 30 19.393 7.625 -0.755 1.00 10.00 C ATOM 503 OE1 GLN A 30 18.692 7.432 0.217 1.00 10.00 O ATOM 504 NE2 GLN A 30 18.889 7.514 -1.955 1.00 10.00 N ATOM 0 H GLN A 30 21.767 7.061 1.897 1.00 10.00 H new ATOM 0 HA GLN A 30 23.319 5.564 -0.168 1.00 10.00 H new ATOM 0 HB2 GLN A 30 22.308 7.096 -1.926 1.00 10.00 H new ATOM 0 HB3 GLN A 30 21.135 5.968 -1.276 1.00 10.00 H new ATOM 0 HG2 GLN A 30 21.074 8.260 0.450 1.00 10.00 H new ATOM 0 HG3 GLN A 30 21.098 8.885 -1.187 1.00 10.00 H new ATOM 0 HE21 GLN A 30 19.477 7.676 -2.772 1.00 10.00 H new ATOM 0 HE22 GLN A 30 17.907 7.265 -2.075 1.00 10.00 H new ATOM 513 N LEU A 31 24.809 7.283 1.077 1.00 10.00 N ATOM 514 CA LEU A 31 25.844 8.323 1.367 1.00 10.00 C ATOM 515 C LEU A 31 27.197 7.907 0.776 1.00 10.00 C ATOM 516 O LEU A 31 27.618 6.788 1.028 1.00 10.00 O ATOM 517 CB LEU A 31 25.922 8.396 2.899 1.00 10.00 C ATOM 518 CG LEU A 31 25.290 9.701 3.401 1.00 10.00 C ATOM 519 CD1 LEU A 31 26.012 10.901 2.780 1.00 10.00 C ATOM 520 CD2 LEU A 31 23.808 9.740 3.015 1.00 10.00 C ATOM 521 OXT LEU A 31 27.790 8.717 0.083 1.00 10.00 O ATOM 0 H LEU A 31 24.994 6.367 1.485 1.00 10.00 H new ATOM 0 HA LEU A 31 25.591 9.288 0.928 1.00 10.00 H new ATOM 0 HB2 LEU A 31 25.406 7.542 3.338 1.00 10.00 H new ATOM 0 HB3 LEU A 31 26.962 8.340 3.220 1.00 10.00 H new ATOM 0 HG LEU A 31 25.383 9.747 4.486 1.00 10.00 H new ATOM 0 HD11 LEU A 31 25.559 11.825 3.140 1.00 10.00 H new ATOM 0 HD12 LEU A 31 27.064 10.879 3.063 1.00 10.00 H new ATOM 0 HD13 LEU A 31 25.927 10.855 1.694 1.00 10.00 H new ATOM 0 HD21 LEU A 31 23.363 10.668 3.373 1.00 10.00 H new ATOM 0 HD22 LEU A 31 23.713 9.687 1.930 1.00 10.00 H new ATOM 0 HD23 LEU A 31 23.292 8.892 3.466 1.00 10.00 H new TER 533 LEU A 31