USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=9 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+ -104:sc= 0.0385 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00155 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0.623 (180deg=0.623) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0223 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= 0.348 K(o=0.35,f=-0.62) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.849 -11.251 5.344 1.00 0.00 N ATOM 2 CA GLY A 1 -18.845 -11.985 4.542 1.00 0.00 C ATOM 3 C GLY A 1 -17.444 -11.848 5.126 1.00 0.00 C ATOM 4 O GLY A 1 -17.136 -10.858 5.793 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.400 -11.926 5.913 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.366 -10.580 5.975 1.00 0.00 H new ATOM 0 H3 GLY A 1 -20.488 -10.731 4.709 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -19.118 -13.039 4.495 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.851 -11.608 3.519 1.00 0.00 H new ATOM 10 N SER A 2 -16.577 -12.833 4.872 1.00 0.00 N ATOM 11 CA SER A 2 -15.188 -12.886 5.374 1.00 0.00 C ATOM 12 C SER A 2 -14.185 -12.026 4.581 1.00 0.00 C ATOM 13 O SER A 2 -13.086 -11.749 5.068 1.00 0.00 O ATOM 14 CB SER A 2 -14.718 -14.347 5.402 1.00 0.00 C ATOM 15 OG SER A 2 -14.829 -14.934 4.112 1.00 0.00 O ATOM 0 H SER A 2 -16.822 -13.639 4.297 1.00 0.00 H new ATOM 0 HA SER A 2 -15.209 -12.457 6.376 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.683 -14.395 5.741 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.315 -14.913 6.117 1.00 0.00 H new ATOM 0 HG SER A 2 -14.523 -15.864 4.149 1.00 0.00 H new ATOM 21 N SER A 3 -14.558 -11.584 3.374 1.00 0.00 N ATOM 22 CA SER A 3 -13.773 -10.709 2.488 1.00 0.00 C ATOM 23 C SER A 3 -14.690 -9.791 1.657 1.00 0.00 C ATOM 24 O SER A 3 -15.915 -9.964 1.652 1.00 0.00 O ATOM 25 CB SER A 3 -12.886 -11.575 1.581 1.00 0.00 C ATOM 26 OG SER A 3 -11.907 -10.779 0.929 1.00 0.00 O ATOM 0 H SER A 3 -15.458 -11.838 2.967 1.00 0.00 H new ATOM 0 HA SER A 3 -13.139 -10.062 3.095 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.397 -12.349 2.173 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.502 -12.083 0.839 1.00 0.00 H new ATOM 0 HG SER A 3 -11.351 -11.348 0.357 1.00 0.00 H new ATOM 32 N GLY A 4 -14.116 -8.809 0.957 1.00 0.00 N ATOM 33 CA GLY A 4 -14.847 -7.844 0.124 1.00 0.00 C ATOM 34 C GLY A 4 -13.985 -7.163 -0.945 1.00 0.00 C ATOM 35 O GLY A 4 -12.772 -6.995 -0.778 1.00 0.00 O ATOM 0 H GLY A 4 -13.107 -8.657 0.952 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.676 -8.356 -0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.280 -7.079 0.768 1.00 0.00 H new ATOM 39 N SER A 5 -14.626 -6.773 -2.049 1.00 0.00 N ATOM 40 CA SER A 5 -14.007 -6.174 -3.244 1.00 0.00 C ATOM 41 C SER A 5 -13.468 -4.749 -3.019 1.00 0.00 C ATOM 42 O SER A 5 -13.784 -4.100 -2.016 1.00 0.00 O ATOM 43 CB SER A 5 -15.028 -6.161 -4.395 1.00 0.00 C ATOM 44 OG SER A 5 -15.528 -7.470 -4.639 1.00 0.00 O ATOM 0 H SER A 5 -15.637 -6.869 -2.143 1.00 0.00 H new ATOM 0 HA SER A 5 -13.145 -6.794 -3.490 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.852 -5.492 -4.149 1.00 0.00 H new ATOM 0 HB3 SER A 5 -14.560 -5.771 -5.299 1.00 0.00 H new ATOM 0 HG SER A 5 -16.177 -7.441 -5.373 1.00 0.00 H new ATOM 50 N SER A 6 -12.685 -4.255 -3.989 1.00 0.00 N ATOM 51 CA SER A 6 -12.032 -2.929 -4.005 1.00 0.00 C ATOM 52 C SER A 6 -10.996 -2.707 -2.884 1.00 0.00 C ATOM 53 O SER A 6 -10.846 -3.526 -1.972 1.00 0.00 O ATOM 54 CB SER A 6 -13.076 -1.797 -4.065 1.00 0.00 C ATOM 55 OG SER A 6 -13.985 -1.986 -5.144 1.00 0.00 O ATOM 0 H SER A 6 -12.476 -4.794 -4.829 1.00 0.00 H new ATOM 0 HA SER A 6 -11.444 -2.905 -4.923 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.627 -1.758 -3.125 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.570 -0.838 -4.177 1.00 0.00 H new ATOM 0 HG SER A 6 -14.636 -1.254 -5.155 1.00 0.00 H new ATOM 61 N GLY A 7 -10.238 -1.609 -2.970 1.00 0.00 N ATOM 62 CA GLY A 7 -9.083 -1.327 -2.106 1.00 0.00 C ATOM 63 C GLY A 7 -7.808 -2.083 -2.515 1.00 0.00 C ATOM 64 O GLY A 7 -7.802 -2.866 -3.470 1.00 0.00 O ATOM 0 H GLY A 7 -10.413 -0.875 -3.656 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.881 -0.256 -2.122 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.336 -1.588 -1.079 1.00 0.00 H new ATOM 68 N TYR A 8 -6.716 -1.826 -1.791 1.00 0.00 N ATOM 69 CA TYR A 8 -5.352 -2.279 -2.118 1.00 0.00 C ATOM 70 C TYR A 8 -4.669 -2.888 -0.885 1.00 0.00 C ATOM 71 O TYR A 8 -4.934 -2.447 0.230 1.00 0.00 O ATOM 72 CB TYR A 8 -4.539 -1.089 -2.658 1.00 0.00 C ATOM 73 CG TYR A 8 -5.165 -0.387 -3.851 1.00 0.00 C ATOM 74 CD1 TYR A 8 -6.161 0.589 -3.651 1.00 0.00 C ATOM 75 CD2 TYR A 8 -4.772 -0.730 -5.161 1.00 0.00 C ATOM 76 CE1 TYR A 8 -6.774 1.213 -4.753 1.00 0.00 C ATOM 77 CE2 TYR A 8 -5.374 -0.098 -6.267 1.00 0.00 C ATOM 78 CZ TYR A 8 -6.379 0.875 -6.065 1.00 0.00 C ATOM 79 OH TYR A 8 -6.975 1.486 -7.126 1.00 0.00 O ATOM 0 H TYR A 8 -6.753 -1.279 -0.931 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.406 -3.054 -2.882 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.404 -0.364 -1.856 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.547 -1.441 -2.940 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.455 0.859 -2.648 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.009 -1.478 -5.317 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.547 1.951 -4.595 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -5.067 -0.357 -7.270 1.00 0.00 H new ATOM 0 HH TYR A 8 -6.590 1.143 -7.959 1.00 0.00 H new ATOM 89 N VAL A 9 -3.789 -3.883 -1.053 1.00 0.00 N ATOM 90 CA VAL A 9 -3.148 -4.602 0.066 1.00 0.00 C ATOM 91 C VAL A 9 -1.622 -4.646 -0.076 1.00 0.00 C ATOM 92 O VAL A 9 -1.098 -4.882 -1.167 1.00 0.00 O ATOM 93 CB VAL A 9 -3.722 -6.027 0.230 1.00 0.00 C ATOM 94 CG1 VAL A 9 -3.171 -6.702 1.493 1.00 0.00 C ATOM 95 CG2 VAL A 9 -5.251 -6.039 0.357 1.00 0.00 C ATOM 0 H VAL A 9 -3.497 -4.217 -1.972 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.378 -4.038 0.970 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.422 -6.562 -0.671 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.592 -7.703 1.583 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.085 -6.769 1.425 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.444 -6.113 2.369 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.599 -7.066 0.470 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.548 -5.457 1.230 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.694 -5.602 -0.538 1.00 0.00 H new ATOM 105 N CYS A 10 -0.920 -4.458 1.043 1.00 0.00 N ATOM 106 CA CYS A 10 0.531 -4.564 1.161 1.00 0.00 C ATOM 107 C CYS A 10 1.020 -5.992 0.884 1.00 0.00 C ATOM 108 O CYS A 10 0.649 -6.942 1.576 1.00 0.00 O ATOM 109 CB CYS A 10 0.895 -4.063 2.564 1.00 0.00 C ATOM 110 SG CYS A 10 2.695 -3.967 2.801 1.00 0.00 S ATOM 0 H CYS A 10 -1.368 -4.218 1.927 1.00 0.00 H new ATOM 0 HA CYS A 10 1.034 -3.954 0.411 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.454 -3.079 2.724 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.465 -4.730 3.311 1.00 0.00 H new ATOM 115 N ALA A 11 1.894 -6.150 -0.113 1.00 0.00 N ATOM 116 CA ALA A 11 2.500 -7.439 -0.449 1.00 0.00 C ATOM 117 C ALA A 11 3.537 -7.915 0.596 1.00 0.00 C ATOM 118 O ALA A 11 4.043 -9.037 0.498 1.00 0.00 O ATOM 119 CB ALA A 11 3.093 -7.334 -1.862 1.00 0.00 C ATOM 0 H ALA A 11 2.202 -5.384 -0.712 1.00 0.00 H new ATOM 0 HA ALA A 11 1.729 -8.209 -0.431 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.551 -8.284 -2.136 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.301 -7.095 -2.572 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.848 -6.548 -1.882 1.00 0.00 H new ATOM 125 N LEU A 12 3.863 -7.070 1.586 1.00 0.00 N ATOM 126 CA LEU A 12 4.898 -7.308 2.592 1.00 0.00 C ATOM 127 C LEU A 12 4.289 -7.707 3.948 1.00 0.00 C ATOM 128 O LEU A 12 4.680 -8.727 4.520 1.00 0.00 O ATOM 129 CB LEU A 12 5.786 -6.057 2.735 1.00 0.00 C ATOM 130 CG LEU A 12 6.542 -5.589 1.474 1.00 0.00 C ATOM 131 CD1 LEU A 12 5.695 -4.852 0.427 1.00 0.00 C ATOM 132 CD2 LEU A 12 7.609 -4.594 1.912 1.00 0.00 C ATOM 0 H LEU A 12 3.394 -6.172 1.708 1.00 0.00 H new ATOM 0 HA LEU A 12 5.513 -8.143 2.258 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.160 -5.234 3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.519 -6.249 3.518 1.00 0.00 H new ATOM 0 HG LEU A 12 6.917 -6.501 1.009 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.325 -4.568 -0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.896 -5.507 0.079 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.262 -3.957 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.161 -4.245 1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.135 -3.745 2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.296 -5.079 2.606 1.00 0.00 H new ATOM 144 N CYS A 13 3.327 -6.911 4.437 1.00 0.00 N ATOM 145 CA CYS A 13 2.631 -7.119 5.729 1.00 0.00 C ATOM 146 C CYS A 13 1.119 -7.467 5.654 1.00 0.00 C ATOM 147 O CYS A 13 0.486 -7.688 6.691 1.00 0.00 O ATOM 148 CB CYS A 13 2.947 -5.982 6.711 1.00 0.00 C ATOM 149 SG CYS A 13 2.126 -4.423 6.281 1.00 0.00 S ATOM 0 H CYS A 13 2.999 -6.084 3.939 1.00 0.00 H new ATOM 0 HA CYS A 13 3.051 -8.044 6.124 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.643 -6.281 7.714 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.025 -5.823 6.739 1.00 0.00 H new ATOM 154 N LEU A 14 0.542 -7.572 4.449 1.00 0.00 N ATOM 155 CA LEU A 14 -0.850 -7.989 4.178 1.00 0.00 C ATOM 156 C LEU A 14 -1.941 -7.072 4.791 1.00 0.00 C ATOM 157 O LEU A 14 -3.097 -7.474 4.951 1.00 0.00 O ATOM 158 CB LEU A 14 -1.040 -9.505 4.439 1.00 0.00 C ATOM 159 CG LEU A 14 -0.382 -10.493 3.448 1.00 0.00 C ATOM 160 CD1 LEU A 14 -0.933 -10.347 2.027 1.00 0.00 C ATOM 161 CD2 LEU A 14 1.145 -10.419 3.384 1.00 0.00 C ATOM 0 H LEU A 14 1.054 -7.359 3.593 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.016 -7.839 3.111 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.657 -9.724 5.436 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.110 -9.711 4.457 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.647 -11.468 3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.439 -11.063 1.370 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.006 -10.539 2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.747 -9.335 1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.515 -11.148 2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.448 -9.418 3.076 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.561 -10.638 4.367 1.00 0.00 H new ATOM 173 N LYS A 15 -1.592 -5.814 5.087 1.00 0.00 N ATOM 174 CA LYS A 15 -2.506 -4.740 5.521 1.00 0.00 C ATOM 175 C LYS A 15 -3.261 -4.108 4.344 1.00 0.00 C ATOM 176 O LYS A 15 -2.653 -3.848 3.304 1.00 0.00 O ATOM 177 CB LYS A 15 -1.664 -3.682 6.239 1.00 0.00 C ATOM 178 CG LYS A 15 -2.512 -2.552 6.844 1.00 0.00 C ATOM 179 CD LYS A 15 -1.687 -1.656 7.776 1.00 0.00 C ATOM 180 CE LYS A 15 -2.558 -0.492 8.266 1.00 0.00 C ATOM 181 NZ LYS A 15 -1.840 0.363 9.248 1.00 0.00 N ATOM 0 H LYS A 15 -0.624 -5.499 5.029 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.263 -5.159 6.183 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.087 -4.160 7.031 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.948 -3.256 5.536 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.938 -1.948 6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.347 -2.981 7.398 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.322 -2.234 8.625 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.812 -1.274 7.250 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.866 0.114 7.414 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.466 -0.885 8.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.463 1.138 9.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.568 -0.209 10.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.987 0.759 8.805 1.00 0.00 H new ATOM 195 N LYS A 16 -4.556 -3.815 4.517 1.00 0.00 N ATOM 196 CA LYS A 16 -5.429 -3.210 3.491 1.00 0.00 C ATOM 197 C LYS A 16 -5.543 -1.679 3.613 1.00 0.00 C ATOM 198 O LYS A 16 -5.503 -1.130 4.715 1.00 0.00 O ATOM 199 CB LYS A 16 -6.793 -3.925 3.491 1.00 0.00 C ATOM 200 CG LYS A 16 -7.633 -3.569 2.253 1.00 0.00 C ATOM 201 CD LYS A 16 -8.845 -4.492 2.085 1.00 0.00 C ATOM 202 CE LYS A 16 -9.502 -4.172 0.739 1.00 0.00 C ATOM 203 NZ LYS A 16 -10.722 -4.980 0.485 1.00 0.00 N ATOM 0 H LYS A 16 -5.042 -3.995 5.395 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.965 -3.361 2.516 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.637 -5.003 3.525 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.344 -3.655 4.392 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.974 -2.537 2.333 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.007 -3.630 1.363 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.536 -5.537 2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.553 -4.343 2.900 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.761 -3.114 0.709 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.783 -4.347 -0.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.124 -4.721 -0.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.475 -5.990 0.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.423 -4.795 1.231 1.00 0.00 H new ATOM 217 N PHE A 17 -5.710 -1.013 2.469 1.00 0.00 N ATOM 218 CA PHE A 17 -5.726 0.442 2.281 1.00 0.00 C ATOM 219 C PHE A 17 -6.834 0.902 1.320 1.00 0.00 C ATOM 220 O PHE A 17 -7.244 0.177 0.408 1.00 0.00 O ATOM 221 CB PHE A 17 -4.359 0.903 1.742 1.00 0.00 C ATOM 222 CG PHE A 17 -3.223 0.704 2.721 1.00 0.00 C ATOM 223 CD1 PHE A 17 -2.940 1.700 3.675 1.00 0.00 C ATOM 224 CD2 PHE A 17 -2.482 -0.493 2.712 1.00 0.00 C ATOM 225 CE1 PHE A 17 -1.930 1.492 4.628 1.00 0.00 C ATOM 226 CE2 PHE A 17 -1.476 -0.699 3.668 1.00 0.00 C ATOM 227 CZ PHE A 17 -1.208 0.288 4.629 1.00 0.00 C ATOM 0 H PHE A 17 -5.847 -1.508 1.588 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.930 0.893 3.252 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.137 0.357 0.825 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.419 1.959 1.478 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.500 2.624 3.674 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.688 -1.251 1.971 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.709 2.256 5.358 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.908 -1.617 3.664 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.443 0.121 5.373 1.00 0.00 H new ATOM 237 N VAL A 18 -7.270 2.154 1.498 1.00 0.00 N ATOM 238 CA VAL A 18 -8.303 2.833 0.690 1.00 0.00 C ATOM 239 C VAL A 18 -7.850 3.160 -0.743 1.00 0.00 C ATOM 240 O VAL A 18 -8.672 3.214 -1.659 1.00 0.00 O ATOM 241 CB VAL A 18 -8.771 4.102 1.445 1.00 0.00 C ATOM 242 CG1 VAL A 18 -7.668 5.164 1.607 1.00 0.00 C ATOM 243 CG2 VAL A 18 -9.987 4.770 0.799 1.00 0.00 C ATOM 0 H VAL A 18 -6.901 2.751 2.238 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.138 2.143 0.566 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.045 3.726 2.431 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.067 6.024 2.144 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.835 4.741 2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.320 5.480 0.624 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.266 5.653 1.375 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.741 5.065 -0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.821 4.069 0.783 1.00 0.00 H new ATOM 253 N SER A 19 -6.546 3.368 -0.949 1.00 0.00 N ATOM 254 CA SER A 19 -5.949 3.829 -2.210 1.00 0.00 C ATOM 255 C SER A 19 -4.526 3.295 -2.381 1.00 0.00 C ATOM 256 O SER A 19 -3.800 3.095 -1.402 1.00 0.00 O ATOM 257 CB SER A 19 -5.958 5.362 -2.235 1.00 0.00 C ATOM 258 OG SER A 19 -5.200 5.882 -3.315 1.00 0.00 O ATOM 0 H SER A 19 -5.851 3.215 -0.218 1.00 0.00 H new ATOM 0 HA SER A 19 -6.539 3.445 -3.042 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.986 5.717 -2.310 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.557 5.742 -1.295 1.00 0.00 H new ATOM 0 HG SER A 19 -5.233 6.861 -3.296 1.00 0.00 H new ATOM 264 N SER A 20 -4.101 3.116 -3.633 1.00 0.00 N ATOM 265 CA SER A 20 -2.732 2.736 -3.990 1.00 0.00 C ATOM 266 C SER A 20 -1.702 3.768 -3.524 1.00 0.00 C ATOM 267 O SER A 20 -0.598 3.385 -3.150 1.00 0.00 O ATOM 268 CB SER A 20 -2.621 2.517 -5.503 1.00 0.00 C ATOM 269 OG SER A 20 -3.046 3.669 -6.216 1.00 0.00 O ATOM 0 H SER A 20 -4.710 3.233 -4.443 1.00 0.00 H new ATOM 0 HA SER A 20 -2.509 1.803 -3.472 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.589 2.282 -5.765 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.227 1.660 -5.795 1.00 0.00 H new ATOM 0 HG SER A 20 -2.965 3.506 -7.179 1.00 0.00 H new ATOM 275 N ILE A 21 -2.053 5.059 -3.444 1.00 0.00 N ATOM 276 CA ILE A 21 -1.162 6.118 -2.934 1.00 0.00 C ATOM 277 C ILE A 21 -0.863 5.898 -1.443 1.00 0.00 C ATOM 278 O ILE A 21 0.296 5.935 -1.026 1.00 0.00 O ATOM 279 CB ILE A 21 -1.765 7.520 -3.213 1.00 0.00 C ATOM 280 CG1 ILE A 21 -1.562 7.985 -4.674 1.00 0.00 C ATOM 281 CG2 ILE A 21 -1.147 8.600 -2.306 1.00 0.00 C ATOM 282 CD1 ILE A 21 -2.200 7.104 -5.754 1.00 0.00 C ATOM 0 H ILE A 21 -2.969 5.403 -3.733 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.211 6.067 -3.464 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.830 7.406 -3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -1.963 8.994 -4.772 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.491 8.047 -4.869 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.596 9.567 -2.533 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.334 8.349 -1.262 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.072 8.650 -2.480 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.993 7.526 -6.737 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.784 6.098 -5.696 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -3.278 7.060 -5.598 1.00 0.00 H new ATOM 294 N ARG A 22 -1.902 5.619 -0.641 1.00 0.00 N ATOM 295 CA ARG A 22 -1.771 5.363 0.805 1.00 0.00 C ATOM 296 C ARG A 22 -0.946 4.100 1.071 1.00 0.00 C ATOM 297 O ARG A 22 -0.107 4.099 1.971 1.00 0.00 O ATOM 298 CB ARG A 22 -3.166 5.287 1.457 1.00 0.00 C ATOM 299 CG ARG A 22 -3.750 6.658 1.844 1.00 0.00 C ATOM 300 CD ARG A 22 -4.018 7.623 0.684 1.00 0.00 C ATOM 301 NE ARG A 22 -4.621 8.881 1.166 1.00 0.00 N ATOM 302 CZ ARG A 22 -4.970 9.927 0.437 1.00 0.00 C ATOM 303 NH1 ARG A 22 -4.819 9.954 -0.858 1.00 0.00 N ATOM 304 NH2 ARG A 22 -5.486 10.980 1.002 1.00 0.00 N ATOM 0 H ARG A 22 -2.863 5.564 -0.978 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.231 6.193 1.261 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.851 4.792 0.769 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.106 4.664 2.349 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.686 6.495 2.379 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.064 7.140 2.541 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.085 7.840 0.164 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.683 7.151 -0.039 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.786 8.951 2.170 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -4.420 9.150 -1.342 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.100 10.779 -1.387 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.623 11.001 2.013 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.753 11.784 0.434 1.00 0.00 H new ATOM 318 N LEU A 23 -1.105 3.071 0.234 1.00 0.00 N ATOM 319 CA LEU A 23 -0.289 1.861 0.268 1.00 0.00 C ATOM 320 C LEU A 23 1.175 2.139 -0.132 1.00 0.00 C ATOM 321 O LEU A 23 2.090 1.712 0.570 1.00 0.00 O ATOM 322 CB LEU A 23 -0.962 0.806 -0.630 1.00 0.00 C ATOM 323 CG LEU A 23 -0.083 -0.422 -0.911 1.00 0.00 C ATOM 324 CD1 LEU A 23 0.349 -1.149 0.359 1.00 0.00 C ATOM 325 CD2 LEU A 23 -0.830 -1.411 -1.802 1.00 0.00 C ATOM 0 H LEU A 23 -1.817 3.058 -0.497 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.234 1.479 1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.888 0.478 -0.157 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.235 1.270 -1.578 1.00 0.00 H new ATOM 0 HG LEU A 23 0.812 -0.048 -1.407 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.967 -2.007 0.095 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.922 -0.470 0.990 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.533 -1.491 0.901 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.197 -2.277 -1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.744 -1.733 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.084 -0.930 -2.747 1.00 0.00 H new ATOM 337 N ARG A 24 1.423 2.875 -1.223 1.00 0.00 N ATOM 338 CA ARG A 24 2.785 3.169 -1.712 1.00 0.00 C ATOM 339 C ARG A 24 3.619 3.852 -0.637 1.00 0.00 C ATOM 340 O ARG A 24 4.716 3.385 -0.320 1.00 0.00 O ATOM 341 CB ARG A 24 2.712 4.056 -2.965 1.00 0.00 C ATOM 342 CG ARG A 24 2.358 3.249 -4.225 1.00 0.00 C ATOM 343 CD ARG A 24 1.872 4.168 -5.351 1.00 0.00 C ATOM 344 NE ARG A 24 1.433 3.394 -6.529 1.00 0.00 N ATOM 345 CZ ARG A 24 0.823 3.867 -7.601 1.00 0.00 C ATOM 346 NH1 ARG A 24 0.569 5.137 -7.751 1.00 0.00 N ATOM 347 NH2 ARG A 24 0.455 3.065 -8.558 1.00 0.00 N ATOM 0 H ARG A 24 0.686 3.286 -1.796 1.00 0.00 H new ATOM 0 HA ARG A 24 3.267 2.225 -1.966 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.966 4.836 -2.813 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.670 4.555 -3.112 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.232 2.690 -4.560 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.584 2.519 -3.988 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.047 4.783 -4.990 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.674 4.848 -5.639 1.00 0.00 H new ATOM 0 HE ARG A 24 1.620 2.391 -6.514 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.843 5.801 -7.027 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.096 5.467 -8.592 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.637 2.064 -8.483 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.016 3.437 -9.383 1.00 0.00 H new ATOM 361 N SER A 25 3.067 4.903 -0.039 1.00 0.00 N ATOM 362 CA SER A 25 3.705 5.674 1.030 1.00 0.00 C ATOM 363 C SER A 25 3.864 4.872 2.329 1.00 0.00 C ATOM 364 O SER A 25 4.913 4.981 2.962 1.00 0.00 O ATOM 365 CB SER A 25 2.895 6.948 1.266 1.00 0.00 C ATOM 366 OG SER A 25 3.094 7.848 0.185 1.00 0.00 O ATOM 0 H SER A 25 2.142 5.253 -0.288 1.00 0.00 H new ATOM 0 HA SER A 25 4.717 5.927 0.712 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.836 6.705 1.360 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.199 7.416 2.202 1.00 0.00 H new ATOM 0 HG SER A 25 2.572 8.663 0.338 1.00 0.00 H new ATOM 372 N HIS A 26 2.912 3.989 2.675 1.00 0.00 N ATOM 373 CA HIS A 26 3.078 3.021 3.771 1.00 0.00 C ATOM 374 C HIS A 26 4.339 2.170 3.573 1.00 0.00 C ATOM 375 O HIS A 26 5.131 2.020 4.505 1.00 0.00 O ATOM 376 CB HIS A 26 1.836 2.120 3.904 1.00 0.00 C ATOM 377 CG HIS A 26 2.103 0.803 4.600 1.00 0.00 C ATOM 378 ND1 HIS A 26 2.080 0.583 5.956 1.00 0.00 N ATOM 379 CD2 HIS A 26 2.455 -0.383 4.005 1.00 0.00 C ATOM 380 CE1 HIS A 26 2.385 -0.703 6.185 1.00 0.00 C ATOM 381 NE2 HIS A 26 2.624 -1.353 5.018 1.00 0.00 N ATOM 0 H HIS A 26 2.009 3.927 2.204 1.00 0.00 H new ATOM 0 HA HIS A 26 3.192 3.587 4.696 1.00 0.00 H new ATOM 0 HB2 HIS A 26 1.065 2.660 4.454 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.437 1.919 2.910 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.867 1.281 6.669 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.581 -0.546 2.945 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.434 -1.158 7.163 1.00 0.00 H new ATOM 389 N ILE A 27 4.567 1.642 2.365 1.00 0.00 N ATOM 390 CA ILE A 27 5.758 0.829 2.093 1.00 0.00 C ATOM 391 C ILE A 27 7.031 1.663 2.291 1.00 0.00 C ATOM 392 O ILE A 27 7.988 1.175 2.893 1.00 0.00 O ATOM 393 CB ILE A 27 5.701 0.174 0.692 1.00 0.00 C ATOM 394 CG1 ILE A 27 4.469 -0.742 0.515 1.00 0.00 C ATOM 395 CG2 ILE A 27 6.973 -0.654 0.457 1.00 0.00 C ATOM 396 CD1 ILE A 27 4.224 -1.143 -0.944 1.00 0.00 C ATOM 0 H ILE A 27 3.947 1.762 1.564 1.00 0.00 H new ATOM 0 HA ILE A 27 5.781 0.009 2.811 1.00 0.00 H new ATOM 0 HB ILE A 27 5.624 0.982 -0.035 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.603 -1.642 1.115 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.586 -0.231 0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.930 -1.114 -0.530 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.846 -0.004 0.517 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.046 -1.432 1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.346 -1.786 -1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.059 -0.248 -1.545 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.093 -1.681 -1.324 1.00 0.00 H new ATOM 408 N ARG A 28 7.052 2.928 1.857 1.00 0.00 N ATOM 409 CA ARG A 28 8.249 3.775 1.996 1.00 0.00 C ATOM 410 C ARG A 28 8.555 4.142 3.451 1.00 0.00 C ATOM 411 O ARG A 28 9.721 4.153 3.837 1.00 0.00 O ATOM 412 CB ARG A 28 8.140 5.053 1.151 1.00 0.00 C ATOM 413 CG ARG A 28 7.758 4.883 -0.331 1.00 0.00 C ATOM 414 CD ARG A 28 8.408 3.684 -1.028 1.00 0.00 C ATOM 415 NE ARG A 28 8.219 3.732 -2.492 1.00 0.00 N ATOM 416 CZ ARG A 28 7.280 3.129 -3.202 1.00 0.00 C ATOM 417 NH1 ARG A 28 6.249 2.550 -2.658 1.00 0.00 N ATOM 418 NH2 ARG A 28 7.367 3.097 -4.501 1.00 0.00 N ATOM 0 H ARG A 28 6.260 3.389 1.409 1.00 0.00 H new ATOM 0 HA ARG A 28 9.078 3.173 1.625 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.402 5.705 1.618 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.098 5.571 1.196 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.675 4.784 -0.404 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.032 5.791 -0.869 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.474 3.665 -0.800 1.00 0.00 H new ATOM 0 HD3 ARG A 28 7.981 2.761 -0.636 1.00 0.00 H new ATOM 0 HE ARG A 28 8.890 4.295 -3.016 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.141 2.549 -1.644 1.00 0.00 H new ATOM 0 HH12 ARG A 28 5.549 2.097 -3.246 1.00 0.00 H new ATOM 0 HH21 ARG A 28 8.159 3.537 -4.970 1.00 0.00 H new ATOM 0 HH22 ARG A 28 6.643 2.632 -5.049 1.00 0.00 H new ATOM 432 N GLU A 29 7.535 4.419 4.266 1.00 0.00 N ATOM 433 CA GLU A 29 7.726 4.867 5.657 1.00 0.00 C ATOM 434 C GLU A 29 7.852 3.725 6.680 1.00 0.00 C ATOM 435 O GLU A 29 8.547 3.882 7.687 1.00 0.00 O ATOM 436 CB GLU A 29 6.639 5.882 6.046 1.00 0.00 C ATOM 437 CG GLU A 29 5.261 5.301 6.379 1.00 0.00 C ATOM 438 CD GLU A 29 4.212 6.419 6.547 1.00 0.00 C ATOM 439 OE1 GLU A 29 4.222 7.109 7.597 1.00 0.00 O ATOM 440 OE2 GLU A 29 3.361 6.611 5.644 1.00 0.00 O ATOM 0 H GLU A 29 6.557 4.341 3.988 1.00 0.00 H new ATOM 0 HA GLU A 29 8.696 5.363 5.690 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.991 6.447 6.909 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.523 6.591 5.227 1.00 0.00 H new ATOM 0 HG2 GLU A 29 4.948 4.621 5.586 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.322 4.715 7.296 1.00 0.00 H new ATOM 447 N VAL A 30 7.215 2.578 6.422 1.00 0.00 N ATOM 448 CA VAL A 30 7.185 1.417 7.341 1.00 0.00 C ATOM 449 C VAL A 30 8.156 0.309 6.932 1.00 0.00 C ATOM 450 O VAL A 30 8.785 -0.298 7.802 1.00 0.00 O ATOM 451 CB VAL A 30 5.751 0.860 7.512 1.00 0.00 C ATOM 452 CG1 VAL A 30 5.678 -0.220 8.600 1.00 0.00 C ATOM 453 CG2 VAL A 30 4.759 1.964 7.904 1.00 0.00 C ATOM 0 H VAL A 30 6.696 2.420 5.558 1.00 0.00 H new ATOM 0 HA VAL A 30 7.522 1.791 8.308 1.00 0.00 H new ATOM 0 HB VAL A 30 5.487 0.434 6.544 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.653 -0.582 8.685 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.335 -1.049 8.335 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.994 0.202 9.554 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.763 1.535 8.015 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.068 2.413 8.848 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.740 2.729 7.128 1.00 0.00 H new ATOM 463 N HIS A 31 8.318 0.055 5.630 1.00 0.00 N ATOM 464 CA HIS A 31 9.170 -1.029 5.116 1.00 0.00 C ATOM 465 C HIS A 31 10.470 -0.527 4.456 1.00 0.00 C ATOM 466 O HIS A 31 11.400 -1.311 4.254 1.00 0.00 O ATOM 467 CB HIS A 31 8.345 -1.910 4.168 1.00 0.00 C ATOM 468 CG HIS A 31 7.101 -2.508 4.789 1.00 0.00 C ATOM 469 ND1 HIS A 31 7.038 -3.293 5.917 1.00 0.00 N ATOM 470 CD2 HIS A 31 5.836 -2.453 4.273 1.00 0.00 C ATOM 471 CE1 HIS A 31 5.771 -3.704 6.079 1.00 0.00 C ATOM 472 NE2 HIS A 31 4.979 -3.207 5.097 1.00 0.00 N ATOM 0 H HIS A 31 7.861 0.597 4.897 1.00 0.00 H new ATOM 0 HA HIS A 31 9.504 -1.625 5.966 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.054 -1.316 3.302 1.00 0.00 H new ATOM 0 HB3 HIS A 31 8.977 -2.719 3.802 1.00 0.00 H new ATOM 0 HD1 HIS A 31 7.822 -3.524 6.527 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.543 -1.919 3.381 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.429 -4.342 6.880 1.00 0.00 H new ATOM 480 N GLY A 32 10.562 0.772 4.144 1.00 0.00 N ATOM 481 CA GLY A 32 11.774 1.424 3.635 1.00 0.00 C ATOM 482 C GLY A 32 12.277 0.924 2.274 1.00 0.00 C ATOM 483 O GLY A 32 13.484 0.947 2.028 1.00 0.00 O ATOM 0 H GLY A 32 9.776 1.414 4.241 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.584 2.495 3.561 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.571 1.291 4.367 1.00 0.00 H new ATOM 487 N ALA A 33 11.380 0.465 1.396 1.00 0.00 N ATOM 488 CA ALA A 33 11.740 -0.181 0.127 1.00 0.00 C ATOM 489 C ALA A 33 12.431 0.748 -0.901 1.00 0.00 C ATOM 490 O ALA A 33 13.158 0.265 -1.774 1.00 0.00 O ATOM 491 CB ALA A 33 10.464 -0.785 -0.467 1.00 0.00 C ATOM 0 H ALA A 33 10.373 0.531 1.546 1.00 0.00 H new ATOM 0 HA ALA A 33 12.487 -0.944 0.349 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.699 -1.273 -1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.051 -1.517 0.227 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.733 0.005 -0.638 1.00 0.00 H new ATOM 497 N ALA A 34 12.210 2.065 -0.811 1.00 0.00 N ATOM 498 CA ALA A 34 12.808 3.101 -1.639 1.00 0.00 C ATOM 499 C ALA A 34 12.739 4.450 -0.898 1.00 0.00 C ATOM 500 O ALA A 34 11.832 4.698 -0.094 1.00 0.00 O ATOM 501 CB ALA A 34 12.075 3.172 -2.986 1.00 0.00 C ATOM 0 H ALA A 34 11.571 2.451 -0.116 1.00 0.00 H new ATOM 0 HA ALA A 34 13.855 2.866 -1.833 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.525 3.949 -3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.155 2.211 -3.495 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.024 3.406 -2.816 1.00 0.00 H new ATOM 507 N GLN A 35 13.710 5.310 -1.191 1.00 0.00 N ATOM 508 CA GLN A 35 13.906 6.665 -0.644 1.00 0.00 C ATOM 509 C GLN A 35 14.062 7.709 -1.765 1.00 0.00 C ATOM 510 O GLN A 35 13.369 8.750 -1.705 1.00 0.00 O ATOM 511 CB GLN A 35 15.121 6.693 0.307 1.00 0.00 C ATOM 512 CG GLN A 35 14.920 5.926 1.629 1.00 0.00 C ATOM 513 CD GLN A 35 14.993 4.394 1.527 1.00 0.00 C ATOM 514 OE1 GLN A 35 15.619 3.803 0.655 1.00 0.00 O ATOM 515 NE2 GLN A 35 14.366 3.681 2.438 1.00 0.00 N ATOM 516 OXT GLN A 35 14.866 7.484 -2.700 1.00 0.00 O ATOM 0 H GLN A 35 14.437 5.069 -1.865 1.00 0.00 H new ATOM 0 HA GLN A 35 13.015 6.928 -0.075 1.00 0.00 H new ATOM 0 HB2 GLN A 35 15.982 6.274 -0.213 1.00 0.00 H new ATOM 0 HB3 GLN A 35 15.361 7.731 0.537 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.675 6.261 2.341 1.00 0.00 H new ATOM 0 HG3 GLN A 35 13.949 6.199 2.042 1.00 0.00 H new ATOM 0 HE21 GLN A 35 13.837 4.147 3.175 1.00 0.00 H new ATOM 0 HE22 GLN A 35 14.409 2.662 2.407 1.00 0.00 H new TER 525 GLN A 35 HETATM 526 ZN ZN A 101 3.093 -3.188 4.788 1.00 0.00 ZN