USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 265 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 NoAdj-H: A 26 HIS HE2 : A 26 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 154:sc=0.000386 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -169:sc= 1.14 (180deg=0.925) USER MOD Single : A 16 LYS NZ :NH3+ 159:sc= 0.994 (180deg=0.643) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0.862 K(o=0.86,f=-0.0068) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.667 -19.081 -6.552 1.00 0.00 N ATOM 2 CA GLY A 1 -12.539 -18.633 -5.444 1.00 0.00 C ATOM 3 C GLY A 1 -13.586 -17.641 -5.930 1.00 0.00 C ATOM 4 O GLY A 1 -13.276 -16.747 -6.719 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.745 -19.374 -6.171 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.111 -19.885 -7.040 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.531 -18.300 -7.225 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.033 -19.495 -4.996 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.932 -18.172 -4.665 1.00 0.00 H new ATOM 10 N SER A 2 -14.832 -17.784 -5.468 1.00 0.00 N ATOM 11 CA SER A 2 -15.992 -16.997 -5.941 1.00 0.00 C ATOM 12 C SER A 2 -16.117 -15.595 -5.317 1.00 0.00 C ATOM 13 O SER A 2 -16.881 -14.765 -5.819 1.00 0.00 O ATOM 14 CB SER A 2 -17.289 -17.778 -5.683 1.00 0.00 C ATOM 15 OG SER A 2 -17.222 -19.073 -6.267 1.00 0.00 O ATOM 0 H SER A 2 -15.075 -18.459 -4.743 1.00 0.00 H new ATOM 0 HA SER A 2 -15.823 -16.842 -7.007 1.00 0.00 H new ATOM 0 HB2 SER A 2 -17.459 -17.866 -4.610 1.00 0.00 H new ATOM 0 HB3 SER A 2 -18.137 -17.231 -6.096 1.00 0.00 H new ATOM 0 HG SER A 2 -18.057 -19.555 -6.090 1.00 0.00 H new ATOM 21 N SER A 3 -15.392 -15.312 -4.229 1.00 0.00 N ATOM 22 CA SER A 3 -15.474 -14.050 -3.474 1.00 0.00 C ATOM 23 C SER A 3 -14.934 -12.841 -4.255 1.00 0.00 C ATOM 24 O SER A 3 -13.900 -12.926 -4.923 1.00 0.00 O ATOM 25 CB SER A 3 -14.714 -14.170 -2.146 1.00 0.00 C ATOM 26 OG SER A 3 -15.200 -15.270 -1.388 1.00 0.00 O ATOM 0 H SER A 3 -14.715 -15.967 -3.837 1.00 0.00 H new ATOM 0 HA SER A 3 -16.534 -13.875 -3.291 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.649 -14.298 -2.341 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.825 -13.249 -1.573 1.00 0.00 H new ATOM 0 HG SER A 3 -14.703 -15.332 -0.546 1.00 0.00 H new ATOM 32 N GLY A 4 -15.615 -11.695 -4.137 1.00 0.00 N ATOM 33 CA GLY A 4 -15.176 -10.406 -4.692 1.00 0.00 C ATOM 34 C GLY A 4 -14.075 -9.721 -3.867 1.00 0.00 C ATOM 35 O GLY A 4 -13.766 -10.132 -2.743 1.00 0.00 O ATOM 0 H GLY A 4 -16.505 -11.635 -3.643 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.812 -10.563 -5.708 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -16.035 -9.738 -4.760 1.00 0.00 H new ATOM 39 N SER A 5 -13.487 -8.656 -4.423 1.00 0.00 N ATOM 40 CA SER A 5 -12.460 -7.824 -3.770 1.00 0.00 C ATOM 41 C SER A 5 -12.502 -6.368 -4.263 1.00 0.00 C ATOM 42 O SER A 5 -12.876 -6.098 -5.409 1.00 0.00 O ATOM 43 CB SER A 5 -11.072 -8.426 -4.016 1.00 0.00 C ATOM 44 OG SER A 5 -10.098 -7.771 -3.217 1.00 0.00 O ATOM 0 H SER A 5 -13.716 -8.337 -5.365 1.00 0.00 H new ATOM 0 HA SER A 5 -12.670 -7.812 -2.701 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.085 -9.491 -3.784 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.810 -8.332 -5.070 1.00 0.00 H new ATOM 0 HG SER A 5 -9.218 -8.168 -3.384 1.00 0.00 H new ATOM 50 N SER A 6 -12.117 -5.425 -3.398 1.00 0.00 N ATOM 51 CA SER A 6 -11.998 -3.986 -3.684 1.00 0.00 C ATOM 52 C SER A 6 -10.978 -3.329 -2.743 1.00 0.00 C ATOM 53 O SER A 6 -10.775 -3.799 -1.619 1.00 0.00 O ATOM 54 CB SER A 6 -13.367 -3.308 -3.544 1.00 0.00 C ATOM 55 OG SER A 6 -13.307 -1.968 -4.010 1.00 0.00 O ATOM 0 H SER A 6 -11.868 -5.651 -2.435 1.00 0.00 H new ATOM 0 HA SER A 6 -11.646 -3.863 -4.708 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.114 -3.863 -4.111 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.682 -3.323 -2.501 1.00 0.00 H new ATOM 0 HG SER A 6 -14.188 -1.549 -3.916 1.00 0.00 H new ATOM 61 N GLY A 7 -10.335 -2.240 -3.174 1.00 0.00 N ATOM 62 CA GLY A 7 -9.206 -1.614 -2.473 1.00 0.00 C ATOM 63 C GLY A 7 -7.856 -2.295 -2.750 1.00 0.00 C ATOM 64 O GLY A 7 -7.725 -3.092 -3.686 1.00 0.00 O ATOM 0 H GLY A 7 -10.588 -1.758 -4.037 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.142 -0.566 -2.767 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.400 -1.633 -1.400 1.00 0.00 H new ATOM 68 N TYR A 8 -6.849 -1.964 -1.939 1.00 0.00 N ATOM 69 CA TYR A 8 -5.444 -2.358 -2.133 1.00 0.00 C ATOM 70 C TYR A 8 -4.860 -2.993 -0.865 1.00 0.00 C ATOM 71 O TYR A 8 -5.287 -2.663 0.241 1.00 0.00 O ATOM 72 CB TYR A 8 -4.632 -1.129 -2.575 1.00 0.00 C ATOM 73 CG TYR A 8 -5.164 -0.468 -3.835 1.00 0.00 C ATOM 74 CD1 TYR A 8 -6.194 0.492 -3.744 1.00 0.00 C ATOM 75 CD2 TYR A 8 -4.674 -0.852 -5.098 1.00 0.00 C ATOM 76 CE1 TYR A 8 -6.739 1.061 -4.911 1.00 0.00 C ATOM 77 CE2 TYR A 8 -5.211 -0.279 -6.267 1.00 0.00 C ATOM 78 CZ TYR A 8 -6.245 0.678 -6.178 1.00 0.00 C ATOM 79 OH TYR A 8 -6.765 1.219 -7.314 1.00 0.00 O ATOM 0 H TYR A 8 -6.989 -1.397 -1.103 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.391 -3.117 -2.913 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.626 -0.398 -1.766 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.597 -1.429 -2.741 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.566 0.792 -2.775 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.886 -1.587 -5.170 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.533 1.789 -4.838 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -4.831 -0.573 -7.234 1.00 0.00 H new ATOM 0 HH TYR A 8 -6.307 0.843 -8.095 1.00 0.00 H new ATOM 89 N VAL A 9 -3.892 -3.907 -1.000 1.00 0.00 N ATOM 90 CA VAL A 9 -3.250 -4.607 0.129 1.00 0.00 C ATOM 91 C VAL A 9 -1.724 -4.628 -0.026 1.00 0.00 C ATOM 92 O VAL A 9 -1.210 -4.853 -1.124 1.00 0.00 O ATOM 93 CB VAL A 9 -3.811 -6.035 0.298 1.00 0.00 C ATOM 94 CG1 VAL A 9 -3.209 -6.724 1.529 1.00 0.00 C ATOM 95 CG2 VAL A 9 -5.337 -6.053 0.478 1.00 0.00 C ATOM 0 H VAL A 9 -3.524 -4.188 -1.909 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.485 -4.050 1.036 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.543 -6.560 -0.619 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.623 -7.728 1.623 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.126 -6.786 1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.449 -6.148 2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.678 -7.082 0.592 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.605 -5.481 1.366 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.812 -5.609 -0.397 1.00 0.00 H new ATOM 105 N CYS A 10 -1.004 -4.431 1.082 1.00 0.00 N ATOM 106 CA CYS A 10 0.453 -4.504 1.163 1.00 0.00 C ATOM 107 C CYS A 10 0.975 -5.910 0.830 1.00 0.00 C ATOM 108 O CYS A 10 0.602 -6.899 1.465 1.00 0.00 O ATOM 109 CB CYS A 10 0.855 -4.041 2.568 1.00 0.00 C ATOM 110 SG CYS A 10 2.661 -3.882 2.748 1.00 0.00 S ATOM 0 H CYS A 10 -1.438 -4.208 1.978 1.00 0.00 H new ATOM 0 HA CYS A 10 0.910 -3.853 0.418 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.384 -3.081 2.781 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.479 -4.751 3.304 1.00 0.00 H new ATOM 115 N ALA A 11 1.882 -5.999 -0.144 1.00 0.00 N ATOM 116 CA ALA A 11 2.520 -7.257 -0.538 1.00 0.00 C ATOM 117 C ALA A 11 3.537 -7.776 0.506 1.00 0.00 C ATOM 118 O ALA A 11 4.071 -8.878 0.349 1.00 0.00 O ATOM 119 CB ALA A 11 3.153 -7.054 -1.923 1.00 0.00 C ATOM 0 H ALA A 11 2.197 -5.194 -0.686 1.00 0.00 H new ATOM 0 HA ALA A 11 1.763 -8.040 -0.589 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.636 -7.978 -2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.379 -6.784 -2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.894 -6.256 -1.871 1.00 0.00 H new ATOM 125 N LEU A 12 3.817 -6.992 1.558 1.00 0.00 N ATOM 126 CA LEU A 12 4.843 -7.268 2.565 1.00 0.00 C ATOM 127 C LEU A 12 4.226 -7.653 3.923 1.00 0.00 C ATOM 128 O LEU A 12 4.541 -8.719 4.458 1.00 0.00 O ATOM 129 CB LEU A 12 5.781 -6.055 2.706 1.00 0.00 C ATOM 130 CG LEU A 12 6.523 -5.603 1.429 1.00 0.00 C ATOM 131 CD1 LEU A 12 5.711 -4.686 0.502 1.00 0.00 C ATOM 132 CD2 LEU A 12 7.726 -4.777 1.864 1.00 0.00 C ATOM 0 H LEU A 12 3.317 -6.121 1.734 1.00 0.00 H new ATOM 0 HA LEU A 12 5.425 -8.126 2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.196 -5.213 3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.525 -6.286 3.469 1.00 0.00 H new ATOM 0 HG LEU A 12 6.759 -6.515 0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.314 -4.421 -0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.810 -5.205 0.174 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.432 -3.780 1.040 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.274 -4.441 0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.387 -3.911 2.433 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.380 -5.387 2.487 1.00 0.00 H new ATOM 144 N CYS A 13 3.342 -6.798 4.457 1.00 0.00 N ATOM 145 CA CYS A 13 2.657 -6.992 5.754 1.00 0.00 C ATOM 146 C CYS A 13 1.153 -7.363 5.679 1.00 0.00 C ATOM 147 O CYS A 13 0.523 -7.596 6.716 1.00 0.00 O ATOM 148 CB CYS A 13 2.953 -5.829 6.713 1.00 0.00 C ATOM 149 SG CYS A 13 2.131 -4.282 6.242 1.00 0.00 S ATOM 0 H CYS A 13 3.074 -5.931 3.992 1.00 0.00 H new ATOM 0 HA CYS A 13 3.095 -7.898 6.174 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.638 -6.108 7.719 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.030 -5.663 6.750 1.00 0.00 H new ATOM 154 N LEU A 14 0.579 -7.466 4.471 1.00 0.00 N ATOM 155 CA LEU A 14 -0.810 -7.880 4.199 1.00 0.00 C ATOM 156 C LEU A 14 -1.899 -6.976 4.828 1.00 0.00 C ATOM 157 O LEU A 14 -3.061 -7.373 4.953 1.00 0.00 O ATOM 158 CB LEU A 14 -0.993 -9.401 4.441 1.00 0.00 C ATOM 159 CG LEU A 14 -0.375 -10.371 3.408 1.00 0.00 C ATOM 160 CD1 LEU A 14 -1.014 -10.230 2.023 1.00 0.00 C ATOM 161 CD2 LEU A 14 1.144 -10.262 3.254 1.00 0.00 C ATOM 0 H LEU A 14 1.093 -7.254 3.616 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.982 -7.714 3.135 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.572 -9.638 5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.062 -9.606 4.496 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.593 -11.354 3.826 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.546 -10.932 1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.081 -10.444 2.091 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.871 -9.213 1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.487 -10.980 2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.406 -9.254 2.933 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.623 -10.475 4.210 1.00 0.00 H new ATOM 173 N LYS A 15 -1.551 -5.729 5.174 1.00 0.00 N ATOM 174 CA LYS A 15 -2.492 -4.669 5.582 1.00 0.00 C ATOM 175 C LYS A 15 -3.308 -4.134 4.397 1.00 0.00 C ATOM 176 O LYS A 15 -2.746 -3.896 3.328 1.00 0.00 O ATOM 177 CB LYS A 15 -1.691 -3.517 6.200 1.00 0.00 C ATOM 178 CG LYS A 15 -2.619 -2.383 6.655 1.00 0.00 C ATOM 179 CD LYS A 15 -1.886 -1.255 7.375 1.00 0.00 C ATOM 180 CE LYS A 15 -2.873 -0.154 7.787 1.00 0.00 C ATOM 181 NZ LYS A 15 -3.587 0.457 6.629 1.00 0.00 N ATOM 0 H LYS A 15 -0.580 -5.418 5.179 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.192 -5.094 6.301 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.116 -3.884 7.050 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.975 -3.136 5.472 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.135 -1.975 5.786 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.383 -2.791 7.317 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.379 -1.647 8.257 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.117 -0.838 6.724 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.605 -0.571 8.478 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.334 0.625 8.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.093 1.309 6.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -2.898 0.715 5.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.268 -0.227 6.241 1.00 0.00 H new ATOM 195 N LYS A 16 -4.597 -3.849 4.612 1.00 0.00 N ATOM 196 CA LYS A 16 -5.516 -3.251 3.622 1.00 0.00 C ATOM 197 C LYS A 16 -5.540 -1.710 3.646 1.00 0.00 C ATOM 198 O LYS A 16 -5.295 -1.084 4.682 1.00 0.00 O ATOM 199 CB LYS A 16 -6.901 -3.891 3.811 1.00 0.00 C ATOM 200 CG LYS A 16 -7.836 -3.674 2.610 1.00 0.00 C ATOM 201 CD LYS A 16 -9.067 -4.583 2.719 1.00 0.00 C ATOM 202 CE LYS A 16 -9.868 -4.608 1.414 1.00 0.00 C ATOM 203 NZ LYS A 16 -10.586 -3.332 1.158 1.00 0.00 N ATOM 0 H LYS A 16 -5.050 -4.032 5.508 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.151 -3.473 2.619 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.780 -4.961 3.981 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.367 -3.477 4.705 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.149 -2.631 2.569 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.302 -3.884 1.683 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.751 -5.595 2.972 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.705 -4.236 3.532 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.194 -4.814 0.583 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.589 -5.425 1.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -10.808 -3.256 0.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -11.468 -3.314 1.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.985 -2.532 1.441 1.00 0.00 H new ATOM 217 N PHE A 17 -5.846 -1.117 2.491 1.00 0.00 N ATOM 218 CA PHE A 17 -5.850 0.324 2.199 1.00 0.00 C ATOM 219 C PHE A 17 -7.012 0.747 1.282 1.00 0.00 C ATOM 220 O PHE A 17 -7.484 -0.025 0.441 1.00 0.00 O ATOM 221 CB PHE A 17 -4.521 0.713 1.527 1.00 0.00 C ATOM 222 CG PHE A 17 -3.321 0.615 2.441 1.00 0.00 C ATOM 223 CD1 PHE A 17 -2.617 -0.597 2.547 1.00 0.00 C ATOM 224 CD2 PHE A 17 -2.925 1.727 3.204 1.00 0.00 C ATOM 225 CE1 PHE A 17 -1.535 -0.699 3.433 1.00 0.00 C ATOM 226 CE2 PHE A 17 -1.817 1.636 4.062 1.00 0.00 C ATOM 227 CZ PHE A 17 -1.132 0.417 4.185 1.00 0.00 C ATOM 0 H PHE A 17 -6.117 -1.666 1.675 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.977 0.841 3.150 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.360 0.069 0.662 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.599 1.734 1.154 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.909 -1.447 1.948 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.474 2.654 3.130 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.010 -1.637 3.537 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.494 2.499 4.624 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.293 0.337 4.860 1.00 0.00 H new ATOM 237 N VAL A 18 -7.422 2.015 1.410 1.00 0.00 N ATOM 238 CA VAL A 18 -8.484 2.657 0.609 1.00 0.00 C ATOM 239 C VAL A 18 -8.037 3.024 -0.818 1.00 0.00 C ATOM 240 O VAL A 18 -8.847 2.995 -1.744 1.00 0.00 O ATOM 241 CB VAL A 18 -9.043 3.882 1.375 1.00 0.00 C ATOM 242 CG1 VAL A 18 -7.999 4.984 1.633 1.00 0.00 C ATOM 243 CG2 VAL A 18 -10.259 4.505 0.684 1.00 0.00 C ATOM 0 H VAL A 18 -7.012 2.648 2.097 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.281 1.926 0.474 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.346 3.471 2.338 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.465 5.808 2.173 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.180 4.578 2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.611 5.348 0.681 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.609 5.359 1.264 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.979 4.836 -0.316 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -11.055 3.764 0.612 1.00 0.00 H new ATOM 253 N SER A 19 -6.752 3.341 -1.011 1.00 0.00 N ATOM 254 CA SER A 19 -6.175 3.771 -2.295 1.00 0.00 C ATOM 255 C SER A 19 -4.719 3.316 -2.431 1.00 0.00 C ATOM 256 O SER A 19 -4.010 3.159 -1.432 1.00 0.00 O ATOM 257 CB SER A 19 -6.291 5.296 -2.424 1.00 0.00 C ATOM 258 OG SER A 19 -5.651 5.770 -3.597 1.00 0.00 O ATOM 0 H SER A 19 -6.063 3.305 -0.259 1.00 0.00 H new ATOM 0 HA SER A 19 -6.734 3.303 -3.105 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.343 5.581 -2.442 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.847 5.771 -1.549 1.00 0.00 H new ATOM 0 HG SER A 19 -5.745 6.744 -3.650 1.00 0.00 H new ATOM 264 N SER A 20 -4.251 3.130 -3.666 1.00 0.00 N ATOM 265 CA SER A 20 -2.870 2.736 -3.968 1.00 0.00 C ATOM 266 C SER A 20 -1.848 3.771 -3.497 1.00 0.00 C ATOM 267 O SER A 20 -0.760 3.389 -3.078 1.00 0.00 O ATOM 268 CB SER A 20 -2.711 2.471 -5.469 1.00 0.00 C ATOM 269 OG SER A 20 -3.106 3.602 -6.230 1.00 0.00 O ATOM 0 H SER A 20 -4.828 3.250 -4.499 1.00 0.00 H new ATOM 0 HA SER A 20 -2.669 1.818 -3.415 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.673 2.224 -5.690 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.312 1.608 -5.755 1.00 0.00 H new ATOM 0 HG SER A 20 -2.994 3.409 -7.184 1.00 0.00 H new ATOM 275 N ILE A 21 -2.191 5.066 -3.463 1.00 0.00 N ATOM 276 CA ILE A 21 -1.302 6.131 -2.963 1.00 0.00 C ATOM 277 C ILE A 21 -1.008 5.938 -1.465 1.00 0.00 C ATOM 278 O ILE A 21 0.145 6.052 -1.039 1.00 0.00 O ATOM 279 CB ILE A 21 -1.896 7.529 -3.277 1.00 0.00 C ATOM 280 CG1 ILE A 21 -1.747 7.944 -4.762 1.00 0.00 C ATOM 281 CG2 ILE A 21 -1.204 8.627 -2.447 1.00 0.00 C ATOM 282 CD1 ILE A 21 -2.460 7.057 -5.788 1.00 0.00 C ATOM 0 H ILE A 21 -3.097 5.409 -3.783 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.346 6.066 -3.483 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.954 7.439 -3.029 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.120 8.962 -4.872 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.685 7.965 -5.007 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.641 9.596 -2.689 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.341 8.421 -1.385 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.139 8.642 -2.679 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -2.284 7.446 -6.791 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.074 6.040 -5.721 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.531 7.053 -5.584 1.00 0.00 H new ATOM 294 N ARG A 22 -2.029 5.579 -0.669 1.00 0.00 N ATOM 295 CA ARG A 22 -1.895 5.301 0.774 1.00 0.00 C ATOM 296 C ARG A 22 -0.927 4.141 1.023 1.00 0.00 C ATOM 297 O ARG A 22 -0.066 4.225 1.899 1.00 0.00 O ATOM 298 CB ARG A 22 -3.272 4.978 1.392 1.00 0.00 C ATOM 299 CG ARG A 22 -4.370 6.037 1.204 1.00 0.00 C ATOM 300 CD ARG A 22 -4.092 7.393 1.861 1.00 0.00 C ATOM 301 NE ARG A 22 -3.884 7.289 3.321 1.00 0.00 N ATOM 302 CZ ARG A 22 -4.809 7.288 4.266 1.00 0.00 C ATOM 303 NH1 ARG A 22 -6.082 7.386 3.999 1.00 0.00 N ATOM 304 NH2 ARG A 22 -4.468 7.185 5.519 1.00 0.00 N ATOM 0 H ARG A 22 -2.983 5.472 -1.012 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.492 6.195 1.250 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.626 4.039 0.966 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.137 4.812 2.461 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.522 6.194 0.136 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.304 5.643 1.604 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.209 7.839 1.403 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.927 8.065 1.664 1.00 0.00 H new ATOM 0 HE ARG A 22 -2.917 7.209 3.635 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.395 7.467 3.032 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.764 7.381 4.757 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.484 7.105 5.775 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.185 7.185 6.244 1.00 0.00 H new ATOM 318 N LEU A 23 -1.028 3.092 0.202 1.00 0.00 N ATOM 319 CA LEU A 23 -0.164 1.919 0.240 1.00 0.00 C ATOM 320 C LEU A 23 1.270 2.234 -0.230 1.00 0.00 C ATOM 321 O LEU A 23 2.229 1.870 0.448 1.00 0.00 O ATOM 322 CB LEU A 23 -0.844 0.815 -0.592 1.00 0.00 C ATOM 323 CG LEU A 23 0.044 -0.404 -0.875 1.00 0.00 C ATOM 324 CD1 LEU A 23 0.568 -1.073 0.394 1.00 0.00 C ATOM 325 CD2 LEU A 23 -0.743 -1.438 -1.679 1.00 0.00 C ATOM 0 H LEU A 23 -1.737 3.039 -0.529 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.041 1.574 1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.740 0.482 -0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.169 1.241 -1.541 1.00 0.00 H new ATOM 0 HG LEU A 23 0.904 -0.037 -1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.189 -1.928 0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.162 -0.358 0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.272 -1.411 1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.110 -2.303 -1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.618 -1.752 -1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.064 -0.998 -2.623 1.00 0.00 H new ATOM 337 N ARG A 24 1.441 2.940 -1.354 1.00 0.00 N ATOM 338 CA ARG A 24 2.760 3.253 -1.943 1.00 0.00 C ATOM 339 C ARG A 24 3.672 3.963 -0.953 1.00 0.00 C ATOM 340 O ARG A 24 4.842 3.599 -0.840 1.00 0.00 O ATOM 341 CB ARG A 24 2.569 4.144 -3.179 1.00 0.00 C ATOM 342 CG ARG A 24 2.124 3.343 -4.413 1.00 0.00 C ATOM 343 CD ARG A 24 1.557 4.283 -5.482 1.00 0.00 C ATOM 344 NE ARG A 24 1.051 3.535 -6.648 1.00 0.00 N ATOM 345 CZ ARG A 24 0.433 4.041 -7.702 1.00 0.00 C ATOM 346 NH1 ARG A 24 0.227 5.321 -7.837 1.00 0.00 N ATOM 347 NH2 ARG A 24 0.010 3.262 -8.655 1.00 0.00 N ATOM 0 H ARG A 24 0.661 3.317 -1.891 1.00 0.00 H new ATOM 0 HA ARG A 24 3.232 2.310 -2.219 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.827 4.911 -2.960 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.504 4.659 -3.401 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.970 2.788 -4.819 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.370 2.610 -4.127 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.751 4.879 -5.053 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.332 4.979 -5.804 1.00 0.00 H new ATOM 0 HE ARG A 24 1.192 2.525 -6.641 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.546 5.968 -7.116 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.253 5.676 -8.664 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.154 2.254 -8.592 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.466 3.659 -9.465 1.00 0.00 H new ATOM 361 N SER A 25 3.129 4.934 -0.225 1.00 0.00 N ATOM 362 CA SER A 25 3.847 5.701 0.798 1.00 0.00 C ATOM 363 C SER A 25 4.021 4.939 2.122 1.00 0.00 C ATOM 364 O SER A 25 5.068 5.076 2.758 1.00 0.00 O ATOM 365 CB SER A 25 3.114 7.025 1.019 1.00 0.00 C ATOM 366 OG SER A 25 3.295 7.867 -0.112 1.00 0.00 O ATOM 0 H SER A 25 2.155 5.219 -0.329 1.00 0.00 H new ATOM 0 HA SER A 25 4.858 5.882 0.434 1.00 0.00 H new ATOM 0 HB2 SER A 25 2.052 6.841 1.181 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.493 7.517 1.915 1.00 0.00 H new ATOM 0 HG SER A 25 2.823 8.714 0.032 1.00 0.00 H new ATOM 372 N HIS A 26 3.076 4.069 2.509 1.00 0.00 N ATOM 373 CA HIS A 26 3.228 3.165 3.662 1.00 0.00 C ATOM 374 C HIS A 26 4.492 2.304 3.547 1.00 0.00 C ATOM 375 O HIS A 26 5.234 2.168 4.521 1.00 0.00 O ATOM 376 CB HIS A 26 1.980 2.272 3.810 1.00 0.00 C ATOM 377 CG HIS A 26 2.220 0.953 4.516 1.00 0.00 C ATOM 378 ND1 HIS A 26 2.126 0.725 5.868 1.00 0.00 N ATOM 379 CD2 HIS A 26 2.545 -0.244 3.930 1.00 0.00 C ATOM 380 CE1 HIS A 26 2.373 -0.573 6.099 1.00 0.00 C ATOM 381 NE2 HIS A 26 2.639 -1.224 4.940 1.00 0.00 N ATOM 0 H HIS A 26 2.181 3.971 2.030 1.00 0.00 H new ATOM 0 HA HIS A 26 3.332 3.782 4.554 1.00 0.00 H new ATOM 0 HB2 HIS A 26 1.217 2.826 4.356 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.577 2.068 2.818 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.906 1.425 6.576 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.702 -0.408 2.874 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.362 -1.036 7.075 1.00 0.00 H new ATOM 389 N ILE A 27 4.778 1.752 2.361 1.00 0.00 N ATOM 390 CA ILE A 27 5.951 0.887 2.165 1.00 0.00 C ATOM 391 C ILE A 27 7.245 1.663 2.451 1.00 0.00 C ATOM 392 O ILE A 27 8.166 1.118 3.054 1.00 0.00 O ATOM 393 CB ILE A 27 5.958 0.261 0.751 1.00 0.00 C ATOM 394 CG1 ILE A 27 4.674 -0.547 0.448 1.00 0.00 C ATOM 395 CG2 ILE A 27 7.167 -0.675 0.586 1.00 0.00 C ATOM 396 CD1 ILE A 27 4.522 -0.881 -1.039 1.00 0.00 C ATOM 0 H ILE A 27 4.214 1.888 1.522 1.00 0.00 H new ATOM 0 HA ILE A 27 5.892 0.063 2.876 1.00 0.00 H new ATOM 0 HB ILE A 27 6.013 1.094 0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.688 -1.472 1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.805 0.022 0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.158 -1.108 -0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 27 8.088 -0.109 0.728 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.113 -1.473 1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.604 -1.448 -1.192 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.479 0.042 -1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.375 -1.475 -1.368 1.00 0.00 H new ATOM 408 N ARG A 28 7.322 2.946 2.087 1.00 0.00 N ATOM 409 CA ARG A 28 8.541 3.759 2.273 1.00 0.00 C ATOM 410 C ARG A 28 8.751 4.146 3.739 1.00 0.00 C ATOM 411 O ARG A 28 9.882 4.160 4.216 1.00 0.00 O ATOM 412 CB ARG A 28 8.520 5.009 1.376 1.00 0.00 C ATOM 413 CG ARG A 28 7.880 4.830 -0.013 1.00 0.00 C ATOM 414 CD ARG A 28 8.426 3.667 -0.854 1.00 0.00 C ATOM 415 NE ARG A 28 7.483 3.325 -1.932 1.00 0.00 N ATOM 416 CZ ARG A 28 7.741 2.713 -3.075 1.00 0.00 C ATOM 417 NH1 ARG A 28 8.932 2.304 -3.403 1.00 0.00 N ATOM 418 NH2 ARG A 28 6.778 2.494 -3.923 1.00 0.00 N ATOM 0 H ARG A 28 6.549 3.454 1.657 1.00 0.00 H new ATOM 0 HA ARG A 28 9.386 3.139 1.973 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.986 5.800 1.901 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.546 5.352 1.240 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.807 4.687 0.117 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.013 5.754 -0.575 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.391 3.940 -1.280 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.592 2.797 -0.218 1.00 0.00 H new ATOM 0 HE ARG A 28 6.511 3.593 -1.778 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.715 2.451 -2.766 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.082 1.836 -4.297 1.00 0.00 H new ATOM 0 HH21 ARG A 28 5.828 2.794 -3.705 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.973 2.022 -4.806 1.00 0.00 H new ATOM 432 N GLU A 29 7.661 4.407 4.461 1.00 0.00 N ATOM 433 CA GLU A 29 7.679 4.784 5.881 1.00 0.00 C ATOM 434 C GLU A 29 7.873 3.587 6.830 1.00 0.00 C ATOM 435 O GLU A 29 8.509 3.737 7.876 1.00 0.00 O ATOM 436 CB GLU A 29 6.370 5.518 6.228 1.00 0.00 C ATOM 437 CG GLU A 29 6.229 6.894 5.560 1.00 0.00 C ATOM 438 CD GLU A 29 7.245 7.914 6.112 1.00 0.00 C ATOM 439 OE1 GLU A 29 6.991 8.506 7.191 1.00 0.00 O ATOM 440 OE2 GLU A 29 8.300 8.138 5.471 1.00 0.00 O ATOM 0 H GLU A 29 6.720 4.362 4.070 1.00 0.00 H new ATOM 0 HA GLU A 29 8.540 5.436 6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.526 4.894 5.933 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.311 5.643 7.309 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.369 6.790 4.484 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.218 7.270 5.715 1.00 0.00 H new ATOM 447 N VAL A 30 7.340 2.407 6.483 1.00 0.00 N ATOM 448 CA VAL A 30 7.262 1.233 7.381 1.00 0.00 C ATOM 449 C VAL A 30 8.208 0.099 6.972 1.00 0.00 C ATOM 450 O VAL A 30 8.748 -0.587 7.843 1.00 0.00 O ATOM 451 CB VAL A 30 5.803 0.733 7.490 1.00 0.00 C ATOM 452 CG1 VAL A 30 5.641 -0.404 8.509 1.00 0.00 C ATOM 453 CG2 VAL A 30 4.862 1.865 7.930 1.00 0.00 C ATOM 0 H VAL A 30 6.944 2.233 5.559 1.00 0.00 H new ATOM 0 HA VAL A 30 7.597 1.564 8.364 1.00 0.00 H new ATOM 0 HB VAL A 30 5.548 0.371 6.494 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.597 -0.715 8.544 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.262 -1.249 8.213 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.949 -0.056 9.495 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.843 1.485 7.998 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.175 2.241 8.904 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.900 2.674 7.200 1.00 0.00 H new ATOM 463 N HIS A 31 8.449 -0.089 5.671 1.00 0.00 N ATOM 464 CA HIS A 31 9.288 -1.173 5.133 1.00 0.00 C ATOM 465 C HIS A 31 10.590 -0.678 4.468 1.00 0.00 C ATOM 466 O HIS A 31 11.487 -1.476 4.186 1.00 0.00 O ATOM 467 CB HIS A 31 8.450 -2.033 4.176 1.00 0.00 C ATOM 468 CG HIS A 31 7.149 -2.539 4.759 1.00 0.00 C ATOM 469 ND1 HIS A 31 6.991 -3.217 5.944 1.00 0.00 N ATOM 470 CD2 HIS A 31 5.914 -2.466 4.175 1.00 0.00 C ATOM 471 CE1 HIS A 31 5.697 -3.546 6.076 1.00 0.00 C ATOM 472 NE2 HIS A 31 4.980 -3.099 5.017 1.00 0.00 N ATOM 0 H HIS A 31 8.062 0.516 4.947 1.00 0.00 H new ATOM 0 HA HIS A 31 9.620 -1.780 5.975 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.230 -1.449 3.282 1.00 0.00 H new ATOM 0 HB3 HIS A 31 9.048 -2.888 3.859 1.00 0.00 H new ATOM 0 HD1 HIS A 31 7.732 -3.433 6.610 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.692 -2.000 3.226 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.284 -4.092 6.911 1.00 0.00 H new ATOM 480 N GLY A 32 10.721 0.634 4.245 1.00 0.00 N ATOM 481 CA GLY A 32 11.946 1.296 3.794 1.00 0.00 C ATOM 482 C GLY A 32 12.353 1.058 2.337 1.00 0.00 C ATOM 483 O GLY A 32 13.545 1.141 2.024 1.00 0.00 O ATOM 0 H GLY A 32 9.948 1.286 4.379 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.830 2.369 3.945 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.766 0.971 4.435 1.00 0.00 H new ATOM 487 N ALA A 33 11.405 0.781 1.434 1.00 0.00 N ATOM 488 CA ALA A 33 11.662 0.551 0.002 1.00 0.00 C ATOM 489 C ALA A 33 11.919 1.850 -0.796 1.00 0.00 C ATOM 490 O ALA A 33 11.216 2.188 -1.752 1.00 0.00 O ATOM 491 CB ALA A 33 10.530 -0.285 -0.585 1.00 0.00 C ATOM 0 H ALA A 33 10.418 0.708 1.680 1.00 0.00 H new ATOM 0 HA ALA A 33 12.595 -0.006 -0.086 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.717 -0.457 -1.645 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.477 -1.242 -0.066 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.586 0.246 -0.465 1.00 0.00 H new ATOM 497 N ALA A 34 12.926 2.592 -0.359 1.00 0.00 N ATOM 498 CA ALA A 34 13.369 3.890 -0.884 1.00 0.00 C ATOM 499 C ALA A 34 14.906 3.968 -1.083 1.00 0.00 C ATOM 500 O ALA A 34 15.480 5.058 -1.177 1.00 0.00 O ATOM 501 CB ALA A 34 12.839 4.974 0.062 1.00 0.00 C ATOM 0 H ALA A 34 13.500 2.288 0.427 1.00 0.00 H new ATOM 0 HA ALA A 34 12.963 4.040 -1.885 1.00 0.00 H new ATOM 0 HB1 ALA A 34 13.150 5.955 -0.298 1.00 0.00 H new ATOM 0 HB2 ALA A 34 11.750 4.928 0.095 1.00 0.00 H new ATOM 0 HB3 ALA A 34 13.239 4.811 1.063 1.00 0.00 H new ATOM 507 N GLN A 35 15.572 2.805 -1.107 1.00 0.00 N ATOM 508 CA GLN A 35 17.035 2.641 -1.189 1.00 0.00 C ATOM 509 C GLN A 35 17.611 3.053 -2.558 1.00 0.00 C ATOM 510 O GLN A 35 17.027 2.683 -3.604 1.00 0.00 O ATOM 511 CB GLN A 35 17.426 1.190 -0.837 1.00 0.00 C ATOM 512 CG GLN A 35 16.865 0.672 0.503 1.00 0.00 C ATOM 513 CD GLN A 35 17.241 1.530 1.717 1.00 0.00 C ATOM 514 OE1 GLN A 35 18.384 1.925 1.918 1.00 0.00 O ATOM 515 NE2 GLN A 35 16.303 1.841 2.588 1.00 0.00 N ATOM 516 OXT GLN A 35 18.662 3.734 -2.578 1.00 0.00 O ATOM 0 H GLN A 35 15.085 1.910 -1.068 1.00 0.00 H new ATOM 0 HA GLN A 35 17.476 3.319 -0.459 1.00 0.00 H new ATOM 0 HB2 GLN A 35 17.083 0.533 -1.636 1.00 0.00 H new ATOM 0 HB3 GLN A 35 18.513 1.119 -0.811 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.779 0.619 0.433 1.00 0.00 H new ATOM 0 HG3 GLN A 35 17.224 -0.344 0.666 1.00 0.00 H new ATOM 0 HE21 GLN A 35 15.345 1.523 2.441 1.00 0.00 H new ATOM 0 HE22 GLN A 35 16.535 2.400 3.409 1.00 0.00 H new TER 525 GLN A 35 HETATM 526 ZN ZN A 101 3.087 -3.071 4.718 1.00 0.00 ZN