USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=10 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+ 137:sc= 0.0108 (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+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 163:sc= 1.14 (180deg=0.922) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -130:sc= 0.705 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.351 -10.460 0.506 1.00 0.00 N ATOM 2 CA GLY A 1 -21.427 -9.343 0.798 1.00 0.00 C ATOM 3 C GLY A 1 -21.484 -8.278 -0.288 1.00 0.00 C ATOM 4 O GLY A 1 -21.545 -8.602 -1.476 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.878 -11.364 0.708 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.200 -10.373 1.101 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.626 -10.430 -0.496 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.683 -8.898 1.760 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.409 -9.723 0.884 1.00 0.00 H new ATOM 10 N SER A 2 -21.472 -7.001 0.104 1.00 0.00 N ATOM 11 CA SER A 2 -21.579 -5.845 -0.809 1.00 0.00 C ATOM 12 C SER A 2 -20.311 -5.616 -1.649 1.00 0.00 C ATOM 13 O SER A 2 -19.191 -5.871 -1.199 1.00 0.00 O ATOM 14 CB SER A 2 -21.907 -4.573 -0.017 1.00 0.00 C ATOM 15 OG SER A 2 -23.101 -4.745 0.734 1.00 0.00 O ATOM 0 H SER A 2 -21.386 -6.730 1.083 1.00 0.00 H new ATOM 0 HA SER A 2 -22.386 -6.076 -1.504 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.081 -4.332 0.653 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.019 -3.731 -0.700 1.00 0.00 H new ATOM 0 HG SER A 2 -23.294 -3.925 1.234 1.00 0.00 H new ATOM 21 N SER A 3 -20.477 -5.080 -2.862 1.00 0.00 N ATOM 22 CA SER A 3 -19.382 -4.846 -3.827 1.00 0.00 C ATOM 23 C SER A 3 -18.427 -3.702 -3.440 1.00 0.00 C ATOM 24 O SER A 3 -17.314 -3.623 -3.964 1.00 0.00 O ATOM 25 CB SER A 3 -19.965 -4.565 -5.219 1.00 0.00 C ATOM 26 OG SER A 3 -20.849 -5.605 -5.617 1.00 0.00 O ATOM 0 H SER A 3 -21.389 -4.789 -3.213 1.00 0.00 H new ATOM 0 HA SER A 3 -18.787 -5.759 -3.824 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.497 -3.614 -5.210 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.157 -4.471 -5.944 1.00 0.00 H new ATOM 0 HG SER A 3 -21.210 -5.405 -6.506 1.00 0.00 H new ATOM 32 N GLY A 4 -18.831 -2.823 -2.514 1.00 0.00 N ATOM 33 CA GLY A 4 -18.049 -1.664 -2.048 1.00 0.00 C ATOM 34 C GLY A 4 -16.838 -1.989 -1.157 1.00 0.00 C ATOM 35 O GLY A 4 -16.084 -1.081 -0.801 1.00 0.00 O ATOM 0 H GLY A 4 -19.738 -2.898 -2.053 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -17.697 -1.113 -2.920 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -18.714 -0.999 -1.497 1.00 0.00 H new ATOM 39 N SER A 5 -16.625 -3.262 -0.801 1.00 0.00 N ATOM 40 CA SER A 5 -15.535 -3.735 0.075 1.00 0.00 C ATOM 41 C SER A 5 -14.160 -3.865 -0.614 1.00 0.00 C ATOM 42 O SER A 5 -13.226 -4.427 -0.034 1.00 0.00 O ATOM 43 CB SER A 5 -15.938 -5.059 0.741 1.00 0.00 C ATOM 44 OG SER A 5 -17.135 -4.899 1.490 1.00 0.00 O ATOM 0 H SER A 5 -17.225 -4.021 -1.124 1.00 0.00 H new ATOM 0 HA SER A 5 -15.399 -2.958 0.827 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.079 -5.827 -0.020 1.00 0.00 H new ATOM 0 HB3 SER A 5 -15.136 -5.402 1.395 1.00 0.00 H new ATOM 0 HG SER A 5 -17.377 -5.753 1.906 1.00 0.00 H new ATOM 50 N SER A 6 -14.006 -3.366 -1.843 1.00 0.00 N ATOM 51 CA SER A 6 -12.740 -3.354 -2.594 1.00 0.00 C ATOM 52 C SER A 6 -11.680 -2.408 -1.995 1.00 0.00 C ATOM 53 O SER A 6 -11.990 -1.482 -1.240 1.00 0.00 O ATOM 54 CB SER A 6 -13.013 -3.017 -4.068 1.00 0.00 C ATOM 55 OG SER A 6 -13.675 -1.767 -4.198 1.00 0.00 O ATOM 0 H SER A 6 -14.778 -2.946 -2.361 1.00 0.00 H new ATOM 0 HA SER A 6 -12.315 -4.355 -2.520 1.00 0.00 H new ATOM 0 HB2 SER A 6 -12.072 -2.991 -4.618 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.622 -3.802 -4.516 1.00 0.00 H new ATOM 0 HG SER A 6 -13.834 -1.578 -5.146 1.00 0.00 H new ATOM 61 N GLY A 7 -10.405 -2.653 -2.320 1.00 0.00 N ATOM 62 CA GLY A 7 -9.254 -1.868 -1.852 1.00 0.00 C ATOM 63 C GLY A 7 -7.907 -2.449 -2.303 1.00 0.00 C ATOM 64 O GLY A 7 -7.857 -3.398 -3.090 1.00 0.00 O ATOM 0 H GLY A 7 -10.137 -3.423 -2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.344 -0.846 -2.221 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.275 -1.817 -0.763 1.00 0.00 H new ATOM 68 N TYR A 8 -6.816 -1.883 -1.784 1.00 0.00 N ATOM 69 CA TYR A 8 -5.427 -2.279 -2.071 1.00 0.00 C ATOM 70 C TYR A 8 -4.772 -2.888 -0.826 1.00 0.00 C ATOM 71 O TYR A 8 -5.099 -2.489 0.290 1.00 0.00 O ATOM 72 CB TYR A 8 -4.641 -1.060 -2.578 1.00 0.00 C ATOM 73 CG TYR A 8 -5.183 -0.471 -3.868 1.00 0.00 C ATOM 74 CD1 TYR A 8 -6.269 0.426 -3.831 1.00 0.00 C ATOM 75 CD2 TYR A 8 -4.623 -0.844 -5.107 1.00 0.00 C ATOM 76 CE1 TYR A 8 -6.795 0.949 -5.027 1.00 0.00 C ATOM 77 CE2 TYR A 8 -5.146 -0.321 -6.305 1.00 0.00 C ATOM 78 CZ TYR A 8 -6.235 0.580 -6.269 1.00 0.00 C ATOM 79 OH TYR A 8 -6.748 1.094 -7.420 1.00 0.00 O ATOM 0 H TYR A 8 -6.873 -1.106 -1.126 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.422 -3.043 -2.849 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.648 -0.289 -1.807 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.601 -1.349 -2.731 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.699 0.713 -2.883 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.791 -1.532 -5.137 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.629 1.634 -4.994 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -4.715 -0.608 -7.253 1.00 0.00 H new ATOM 0 HH TYR A 8 -6.250 0.741 -8.187 1.00 0.00 H new ATOM 89 N VAL A 9 -3.855 -3.849 -0.984 1.00 0.00 N ATOM 90 CA VAL A 9 -3.217 -4.558 0.140 1.00 0.00 C ATOM 91 C VAL A 9 -1.697 -4.654 -0.037 1.00 0.00 C ATOM 92 O VAL A 9 -1.207 -4.926 -1.134 1.00 0.00 O ATOM 93 CB VAL A 9 -3.838 -5.956 0.351 1.00 0.00 C ATOM 94 CG1 VAL A 9 -3.322 -6.581 1.648 1.00 0.00 C ATOM 95 CG2 VAL A 9 -5.368 -5.926 0.468 1.00 0.00 C ATOM 0 H VAL A 9 -3.530 -4.161 -1.899 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.406 -3.969 1.037 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.551 -6.532 -0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.770 -7.566 1.781 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.238 -6.679 1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.590 -5.944 2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.742 -6.939 0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.656 -5.306 1.317 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.795 -5.511 -0.445 1.00 0.00 H new ATOM 105 N CYS A 10 -0.963 -4.460 1.062 1.00 0.00 N ATOM 106 CA CYS A 10 0.489 -4.572 1.144 1.00 0.00 C ATOM 107 C CYS A 10 0.976 -5.990 0.807 1.00 0.00 C ATOM 108 O CYS A 10 0.589 -6.970 1.447 1.00 0.00 O ATOM 109 CB CYS A 10 0.895 -4.119 2.552 1.00 0.00 C ATOM 110 SG CYS A 10 2.702 -4.011 2.731 1.00 0.00 S ATOM 0 H CYS A 10 -1.386 -4.210 1.956 1.00 0.00 H new ATOM 0 HA CYS A 10 0.968 -3.935 0.401 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.450 -3.147 2.764 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.498 -4.818 3.288 1.00 0.00 H new ATOM 115 N ALA A 11 1.872 -6.098 -0.176 1.00 0.00 N ATOM 116 CA ALA A 11 2.493 -7.364 -0.567 1.00 0.00 C ATOM 117 C ALA A 11 3.521 -7.878 0.468 1.00 0.00 C ATOM 118 O ALA A 11 4.030 -8.993 0.329 1.00 0.00 O ATOM 119 CB ALA A 11 3.109 -7.180 -1.960 1.00 0.00 C ATOM 0 H ALA A 11 2.190 -5.301 -0.728 1.00 0.00 H new ATOM 0 HA ALA A 11 1.729 -8.141 -0.601 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.579 -8.111 -2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.328 -6.909 -2.670 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.858 -6.389 -1.925 1.00 0.00 H new ATOM 125 N LEU A 12 3.838 -7.073 1.495 1.00 0.00 N ATOM 126 CA LEU A 12 4.870 -7.349 2.494 1.00 0.00 C ATOM 127 C LEU A 12 4.261 -7.751 3.850 1.00 0.00 C ATOM 128 O LEU A 12 4.617 -8.798 4.395 1.00 0.00 O ATOM 129 CB LEU A 12 5.795 -6.126 2.646 1.00 0.00 C ATOM 130 CG LEU A 12 6.522 -5.632 1.375 1.00 0.00 C ATOM 131 CD1 LEU A 12 5.678 -4.756 0.437 1.00 0.00 C ATOM 132 CD2 LEU A 12 7.682 -4.753 1.820 1.00 0.00 C ATOM 0 H LEU A 12 3.364 -6.184 1.653 1.00 0.00 H new ATOM 0 HA LEU A 12 5.459 -8.197 2.146 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.202 -5.300 3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.549 -6.363 3.397 1.00 0.00 H new ATOM 0 HG LEU A 12 6.802 -6.532 0.827 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.278 -4.461 -0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.809 -5.319 0.098 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.347 -3.865 0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.218 -4.387 0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.299 -3.907 2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.361 -5.335 2.444 1.00 0.00 H new ATOM 144 N CYS A 13 3.336 -6.929 4.368 1.00 0.00 N ATOM 145 CA CYS A 13 2.654 -7.134 5.666 1.00 0.00 C ATOM 146 C CYS A 13 1.135 -7.443 5.608 1.00 0.00 C ATOM 147 O CYS A 13 0.506 -7.649 6.652 1.00 0.00 O ATOM 148 CB CYS A 13 3.005 -6.008 6.652 1.00 0.00 C ATOM 149 SG CYS A 13 2.228 -4.423 6.231 1.00 0.00 S ATOM 0 H CYS A 13 3.030 -6.082 3.889 1.00 0.00 H new ATOM 0 HA CYS A 13 3.059 -8.072 6.047 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.696 -6.302 7.655 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.087 -5.880 6.677 1.00 0.00 H new ATOM 154 N LEU A 14 0.543 -7.528 4.408 1.00 0.00 N ATOM 155 CA LEU A 14 -0.867 -7.892 4.159 1.00 0.00 C ATOM 156 C LEU A 14 -1.909 -6.941 4.805 1.00 0.00 C ATOM 157 O LEU A 14 -3.069 -7.309 5.015 1.00 0.00 O ATOM 158 CB LEU A 14 -1.106 -9.403 4.406 1.00 0.00 C ATOM 159 CG LEU A 14 -0.529 -10.398 3.371 1.00 0.00 C ATOM 160 CD1 LEU A 14 -1.159 -10.229 1.986 1.00 0.00 C ATOM 161 CD2 LEU A 14 0.994 -10.354 3.218 1.00 0.00 C ATOM 0 H LEU A 14 1.052 -7.338 3.545 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.050 -7.727 3.097 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.690 -9.654 5.382 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.182 -9.567 4.467 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.790 -11.370 3.788 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.720 -10.950 1.296 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.234 -10.398 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.972 -9.219 1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.306 -11.085 2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.299 -9.357 2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.463 -10.588 4.174 1.00 0.00 H new ATOM 173 N LYS A 15 -1.512 -5.692 5.079 1.00 0.00 N ATOM 174 CA LYS A 15 -2.372 -4.589 5.548 1.00 0.00 C ATOM 175 C LYS A 15 -3.155 -3.937 4.402 1.00 0.00 C ATOM 176 O LYS A 15 -2.596 -3.721 3.327 1.00 0.00 O ATOM 177 CB LYS A 15 -1.467 -3.560 6.229 1.00 0.00 C ATOM 178 CG LYS A 15 -2.255 -2.434 6.924 1.00 0.00 C ATOM 179 CD LYS A 15 -1.386 -1.561 7.843 1.00 0.00 C ATOM 180 CE LYS A 15 -0.928 -2.332 9.091 1.00 0.00 C ATOM 181 NZ LYS A 15 -0.253 -1.444 10.074 1.00 0.00 N ATOM 0 H LYS A 15 -0.538 -5.406 4.976 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.115 -4.981 6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.840 -4.065 6.964 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.799 -3.124 5.487 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.718 -1.802 6.166 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.063 -2.873 7.509 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.514 -1.209 7.292 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.949 -0.679 8.146 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -1.789 -2.806 9.561 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.247 -3.130 8.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 0.041 -2.002 10.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 0.584 -1.011 9.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.911 -0.697 10.376 1.00 0.00 H new ATOM 195 N LYS A 16 -4.428 -3.592 4.634 1.00 0.00 N ATOM 196 CA LYS A 16 -5.358 -3.043 3.627 1.00 0.00 C ATOM 197 C LYS A 16 -5.472 -1.510 3.662 1.00 0.00 C ATOM 198 O LYS A 16 -5.365 -0.892 4.723 1.00 0.00 O ATOM 199 CB LYS A 16 -6.713 -3.752 3.776 1.00 0.00 C ATOM 200 CG LYS A 16 -7.682 -3.465 2.618 1.00 0.00 C ATOM 201 CD LYS A 16 -8.893 -4.397 2.711 1.00 0.00 C ATOM 202 CE LYS A 16 -9.802 -4.220 1.493 1.00 0.00 C ATOM 203 NZ LYS A 16 -11.013 -5.074 1.603 1.00 0.00 N ATOM 0 H LYS A 16 -4.857 -3.688 5.555 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.954 -3.246 2.635 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.547 -4.827 3.843 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.176 -3.442 4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.008 -2.426 2.654 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.175 -3.607 1.664 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.558 -5.432 2.775 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.452 -4.186 3.623 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.097 -3.174 1.404 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.254 -4.475 0.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.737 -4.738 0.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.765 -6.058 1.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.386 -5.025 2.573 1.00 0.00 H new ATOM 217 N PHE A 17 -5.716 -0.915 2.492 1.00 0.00 N ATOM 218 CA PHE A 17 -5.717 0.525 2.214 1.00 0.00 C ATOM 219 C PHE A 17 -6.832 0.943 1.237 1.00 0.00 C ATOM 220 O PHE A 17 -7.251 0.175 0.367 1.00 0.00 O ATOM 221 CB PHE A 17 -4.345 0.932 1.646 1.00 0.00 C ATOM 222 CG PHE A 17 -3.211 0.766 2.635 1.00 0.00 C ATOM 223 CD1 PHE A 17 -2.973 1.767 3.595 1.00 0.00 C ATOM 224 CD2 PHE A 17 -2.435 -0.410 2.642 1.00 0.00 C ATOM 225 CE1 PHE A 17 -1.972 1.591 4.565 1.00 0.00 C ATOM 226 CE2 PHE A 17 -1.434 -0.584 3.611 1.00 0.00 C ATOM 227 CZ PHE A 17 -1.211 0.410 4.577 1.00 0.00 C ATOM 0 H PHE A 17 -5.932 -1.461 1.658 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.911 1.041 3.154 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.135 0.333 0.760 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.387 1.973 1.325 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.561 2.673 3.586 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.610 -1.177 1.902 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.788 2.361 5.299 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.835 -1.483 3.613 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.452 0.266 5.332 1.00 0.00 H new ATOM 237 N VAL A 18 -7.277 2.199 1.362 1.00 0.00 N ATOM 238 CA VAL A 18 -8.371 2.806 0.574 1.00 0.00 C ATOM 239 C VAL A 18 -7.999 3.082 -0.893 1.00 0.00 C ATOM 240 O VAL A 18 -8.851 3.002 -1.778 1.00 0.00 O ATOM 241 CB VAL A 18 -8.865 4.083 1.292 1.00 0.00 C ATOM 242 CG1 VAL A 18 -7.807 5.196 1.371 1.00 0.00 C ATOM 243 CG2 VAL A 18 -10.132 4.669 0.664 1.00 0.00 C ATOM 0 H VAL A 18 -6.875 2.849 2.037 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.181 2.078 0.520 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.086 3.739 2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.225 6.060 1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.937 4.833 1.918 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.508 5.486 0.364 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.429 5.563 1.212 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.936 4.929 -0.376 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.934 3.933 0.709 1.00 0.00 H new ATOM 253 N SER A 19 -6.725 3.382 -1.162 1.00 0.00 N ATOM 254 CA SER A 19 -6.181 3.691 -2.493 1.00 0.00 C ATOM 255 C SER A 19 -4.707 3.284 -2.570 1.00 0.00 C ATOM 256 O SER A 19 -4.020 3.249 -1.543 1.00 0.00 O ATOM 257 CB SER A 19 -6.344 5.188 -2.786 1.00 0.00 C ATOM 258 OG SER A 19 -5.789 5.524 -4.047 1.00 0.00 O ATOM 0 H SER A 19 -6.014 3.418 -0.431 1.00 0.00 H new ATOM 0 HA SER A 19 -6.732 3.125 -3.244 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.401 5.452 -2.768 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.857 5.770 -2.004 1.00 0.00 H new ATOM 0 HG SER A 19 -5.907 6.483 -4.211 1.00 0.00 H new ATOM 264 N SER A 20 -4.195 3.011 -3.775 1.00 0.00 N ATOM 265 CA SER A 20 -2.794 2.612 -3.968 1.00 0.00 C ATOM 266 C SER A 20 -1.809 3.670 -3.463 1.00 0.00 C ATOM 267 O SER A 20 -0.748 3.316 -2.967 1.00 0.00 O ATOM 268 CB SER A 20 -2.498 2.249 -5.428 1.00 0.00 C ATOM 269 OG SER A 20 -2.350 3.397 -6.253 1.00 0.00 O ATOM 0 H SER A 20 -4.735 3.059 -4.639 1.00 0.00 H new ATOM 0 HA SER A 20 -2.650 1.717 -3.363 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.587 1.652 -5.474 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.305 1.628 -5.816 1.00 0.00 H new ATOM 0 HG SER A 20 -2.910 3.300 -7.051 1.00 0.00 H new ATOM 275 N ILE A 21 -2.170 4.959 -3.491 1.00 0.00 N ATOM 276 CA ILE A 21 -1.350 6.058 -2.950 1.00 0.00 C ATOM 277 C ILE A 21 -1.033 5.858 -1.460 1.00 0.00 C ATOM 278 O ILE A 21 0.114 6.023 -1.037 1.00 0.00 O ATOM 279 CB ILE A 21 -2.068 7.409 -3.185 1.00 0.00 C ATOM 280 CG1 ILE A 21 -2.296 7.722 -4.682 1.00 0.00 C ATOM 281 CG2 ILE A 21 -1.312 8.558 -2.496 1.00 0.00 C ATOM 282 CD1 ILE A 21 -1.034 7.773 -5.557 1.00 0.00 C ATOM 0 H ILE A 21 -3.051 5.276 -3.895 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.397 6.061 -3.478 1.00 0.00 H new ATOM 0 HB ILE A 21 -3.056 7.315 -2.734 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.969 6.969 -5.092 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.807 8.682 -4.759 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.836 9.497 -2.675 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -1.262 8.369 -1.424 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -0.302 8.623 -2.900 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.314 8.000 -6.586 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.364 8.547 -5.184 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.528 6.808 -5.523 1.00 0.00 H new ATOM 294 N ARG A 22 -2.036 5.463 -0.665 1.00 0.00 N ATOM 295 CA ARG A 22 -1.889 5.249 0.784 1.00 0.00 C ATOM 296 C ARG A 22 -1.016 4.023 1.072 1.00 0.00 C ATOM 297 O ARG A 22 -0.202 4.054 1.994 1.00 0.00 O ATOM 298 CB ARG A 22 -3.275 5.145 1.452 1.00 0.00 C ATOM 299 CG ARG A 22 -3.979 6.499 1.663 1.00 0.00 C ATOM 300 CD ARG A 22 -4.450 7.194 0.380 1.00 0.00 C ATOM 301 NE ARG A 22 -5.280 8.381 0.673 1.00 0.00 N ATOM 302 CZ ARG A 22 -4.865 9.611 0.931 1.00 0.00 C ATOM 303 NH1 ARG A 22 -3.602 9.929 0.981 1.00 0.00 N ATOM 304 NH2 ARG A 22 -5.729 10.561 1.149 1.00 0.00 N ATOM 0 H ARG A 22 -2.979 5.281 -1.009 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.378 6.109 1.217 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.914 4.508 0.840 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.164 4.652 2.418 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.841 6.345 2.312 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -3.298 7.167 2.190 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.584 7.493 -0.211 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.022 6.491 -0.226 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.290 8.236 0.677 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -2.890 9.217 0.818 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.326 10.890 1.183 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.728 10.358 1.121 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.406 11.508 1.348 1.00 0.00 H new ATOM 318 N LEU A 23 -1.107 2.994 0.226 1.00 0.00 N ATOM 319 CA LEU A 23 -0.238 1.822 0.263 1.00 0.00 C ATOM 320 C LEU A 23 1.211 2.153 -0.150 1.00 0.00 C ATOM 321 O LEU A 23 2.143 1.753 0.547 1.00 0.00 O ATOM 322 CB LEU A 23 -0.878 0.726 -0.610 1.00 0.00 C ATOM 323 CG LEU A 23 0.038 -0.476 -0.876 1.00 0.00 C ATOM 324 CD1 LEU A 23 0.507 -1.163 0.406 1.00 0.00 C ATOM 325 CD2 LEU A 23 -0.689 -1.506 -1.738 1.00 0.00 C ATOM 0 H LEU A 23 -1.803 2.954 -0.519 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.153 1.458 1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.789 0.375 -0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.173 1.163 -1.564 1.00 0.00 H new ATOM 0 HG LEU A 23 0.917 -0.085 -1.390 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.151 -2.005 0.153 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.063 -0.452 1.017 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.358 -1.523 0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.031 -2.356 -1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.586 -1.846 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.970 -1.052 -2.688 1.00 0.00 H new ATOM 337 N ARG A 24 1.429 2.903 -1.239 1.00 0.00 N ATOM 338 CA ARG A 24 2.774 3.245 -1.751 1.00 0.00 C ATOM 339 C ARG A 24 3.613 3.906 -0.661 1.00 0.00 C ATOM 340 O ARG A 24 4.701 3.430 -0.342 1.00 0.00 O ATOM 341 CB ARG A 24 2.655 4.180 -2.966 1.00 0.00 C ATOM 342 CG ARG A 24 2.176 3.457 -4.239 1.00 0.00 C ATOM 343 CD ARG A 24 1.667 4.459 -5.288 1.00 0.00 C ATOM 344 NE ARG A 24 0.684 3.853 -6.208 1.00 0.00 N ATOM 345 CZ ARG A 24 0.909 3.214 -7.340 1.00 0.00 C ATOM 346 NH1 ARG A 24 2.106 3.000 -7.805 1.00 0.00 N ATOM 347 NH2 ARG A 24 -0.104 2.773 -8.027 1.00 0.00 N ATOM 0 H ARG A 24 0.672 3.296 -1.799 1.00 0.00 H new ATOM 0 HA ARG A 24 3.270 2.325 -2.058 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.961 4.986 -2.730 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.624 4.640 -3.159 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.995 2.872 -4.658 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.381 2.756 -3.985 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.212 5.311 -4.783 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.511 4.842 -5.862 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.294 3.939 -5.933 1.00 0.00 H new ATOM 0 HH11 ARG A 24 2.921 3.332 -7.289 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.229 2.501 -8.686 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.054 2.923 -7.688 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.052 2.277 -8.904 1.00 0.00 H new ATOM 361 N SER A 25 3.064 4.947 -0.040 1.00 0.00 N ATOM 362 CA SER A 25 3.721 5.695 1.034 1.00 0.00 C ATOM 363 C SER A 25 3.867 4.892 2.333 1.00 0.00 C ATOM 364 O SER A 25 4.890 5.032 3.001 1.00 0.00 O ATOM 365 CB SER A 25 2.949 6.993 1.280 1.00 0.00 C ATOM 366 OG SER A 25 3.100 7.861 0.168 1.00 0.00 O ATOM 0 H SER A 25 2.136 5.302 -0.271 1.00 0.00 H new ATOM 0 HA SER A 25 4.738 5.915 0.709 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.893 6.774 1.441 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.315 7.479 2.184 1.00 0.00 H new ATOM 0 HG SER A 25 2.602 8.690 0.330 1.00 0.00 H new ATOM 372 N HIS A 26 2.932 3.987 2.663 1.00 0.00 N ATOM 373 CA HIS A 26 3.101 3.037 3.773 1.00 0.00 C ATOM 374 C HIS A 26 4.386 2.213 3.614 1.00 0.00 C ATOM 375 O HIS A 26 5.172 2.118 4.558 1.00 0.00 O ATOM 376 CB HIS A 26 1.871 2.113 3.889 1.00 0.00 C ATOM 377 CG HIS A 26 2.142 0.783 4.560 1.00 0.00 C ATOM 378 ND1 HIS A 26 2.108 0.536 5.911 1.00 0.00 N ATOM 379 CD2 HIS A 26 2.487 -0.393 3.945 1.00 0.00 C ATOM 380 CE1 HIS A 26 2.397 -0.757 6.113 1.00 0.00 C ATOM 381 NE2 HIS A 26 2.648 -1.384 4.937 1.00 0.00 N ATOM 0 H HIS A 26 2.043 3.894 2.171 1.00 0.00 H new ATOM 0 HA HIS A 26 3.189 3.613 4.694 1.00 0.00 H new ATOM 0 HB2 HIS A 26 1.093 2.634 4.447 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.477 1.927 2.890 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.898 1.221 6.637 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.614 -0.537 2.882 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.426 -1.235 7.081 1.00 0.00 H new ATOM 389 N ILE A 27 4.636 1.659 2.420 1.00 0.00 N ATOM 390 CA ILE A 27 5.826 0.833 2.175 1.00 0.00 C ATOM 391 C ILE A 27 7.096 1.652 2.421 1.00 0.00 C ATOM 392 O ILE A 27 8.015 1.167 3.082 1.00 0.00 O ATOM 393 CB ILE A 27 5.818 0.206 0.758 1.00 0.00 C ATOM 394 CG1 ILE A 27 4.568 -0.664 0.497 1.00 0.00 C ATOM 395 CG2 ILE A 27 7.072 -0.663 0.559 1.00 0.00 C ATOM 396 CD1 ILE A 27 4.386 -1.006 -0.987 1.00 0.00 C ATOM 0 H ILE A 27 4.029 1.768 1.608 1.00 0.00 H new ATOM 0 HA ILE A 27 5.809 0.002 2.880 1.00 0.00 H new ATOM 0 HB ILE A 27 5.805 1.036 0.051 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.646 -1.587 1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.683 -0.139 0.856 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.057 -1.099 -0.440 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.964 -0.046 0.673 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.084 -1.460 1.303 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.493 -1.618 -1.112 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.279 -0.086 -1.562 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.257 -1.557 -1.343 1.00 0.00 H new ATOM 408 N ARG A 28 7.145 2.907 1.966 1.00 0.00 N ATOM 409 CA ARG A 28 8.325 3.762 2.172 1.00 0.00 C ATOM 410 C ARG A 28 8.535 4.120 3.646 1.00 0.00 C ATOM 411 O ARG A 28 9.670 4.138 4.119 1.00 0.00 O ATOM 412 CB ARG A 28 8.223 5.059 1.360 1.00 0.00 C ATOM 413 CG ARG A 28 7.801 4.942 -0.114 1.00 0.00 C ATOM 414 CD ARG A 28 8.531 3.842 -0.886 1.00 0.00 C ATOM 415 NE ARG A 28 8.252 3.904 -2.336 1.00 0.00 N ATOM 416 CZ ARG A 28 8.712 3.055 -3.238 1.00 0.00 C ATOM 417 NH1 ARG A 28 9.485 2.067 -2.909 1.00 0.00 N ATOM 418 NH2 ARG A 28 8.430 3.176 -4.501 1.00 0.00 N ATOM 0 H ARG A 28 6.386 3.356 1.454 1.00 0.00 H new ATOM 0 HA ARG A 28 9.180 3.179 1.829 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.512 5.715 1.862 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.193 5.554 1.394 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.728 4.753 -0.160 1.00 0.00 H new ATOM 0 HG3 ARG A 28 7.978 5.897 -0.609 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.604 3.933 -0.719 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.230 2.868 -0.500 1.00 0.00 H new ATOM 0 HE ARG A 28 7.657 4.663 -2.667 1.00 0.00 H new ATOM 0 HH11 ARG A 28 9.752 1.931 -1.934 1.00 0.00 H new ATOM 0 HH12 ARG A 28 9.826 1.426 -3.625 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.838 3.943 -4.820 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.801 2.504 -5.173 1.00 0.00 H new ATOM 432 N GLU A 29 7.451 4.387 4.374 1.00 0.00 N ATOM 433 CA GLU A 29 7.493 4.822 5.775 1.00 0.00 C ATOM 434 C GLU A 29 7.888 3.704 6.749 1.00 0.00 C ATOM 435 O GLU A 29 8.630 3.978 7.697 1.00 0.00 O ATOM 436 CB GLU A 29 6.132 5.415 6.182 1.00 0.00 C ATOM 437 CG GLU A 29 5.875 6.816 5.609 1.00 0.00 C ATOM 438 CD GLU A 29 6.743 7.890 6.297 1.00 0.00 C ATOM 439 OE1 GLU A 29 6.348 8.393 7.377 1.00 0.00 O ATOM 440 OE2 GLU A 29 7.821 8.243 5.763 1.00 0.00 O ATOM 0 H GLU A 29 6.504 4.307 4.004 1.00 0.00 H new ATOM 0 HA GLU A 29 8.272 5.582 5.841 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.339 4.745 5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.076 5.461 7.270 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.082 6.814 4.539 1.00 0.00 H new ATOM 0 HG3 GLU A 29 4.822 7.069 5.729 1.00 0.00 H new ATOM 447 N VAL A 30 7.432 2.459 6.534 1.00 0.00 N ATOM 448 CA VAL A 30 7.646 1.357 7.499 1.00 0.00 C ATOM 449 C VAL A 30 8.502 0.198 6.996 1.00 0.00 C ATOM 450 O VAL A 30 9.189 -0.436 7.798 1.00 0.00 O ATOM 451 CB VAL A 30 6.334 0.819 8.086 1.00 0.00 C ATOM 452 CG1 VAL A 30 5.389 1.939 8.535 1.00 0.00 C ATOM 453 CG2 VAL A 30 5.546 -0.143 7.193 1.00 0.00 C ATOM 0 H VAL A 30 6.912 2.186 5.700 1.00 0.00 H new ATOM 0 HA VAL A 30 8.224 1.839 8.288 1.00 0.00 H new ATOM 0 HB VAL A 30 6.686 0.243 8.942 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.476 1.504 8.942 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.877 2.541 9.301 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.141 2.570 7.681 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.639 -0.458 7.709 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.278 0.360 6.264 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.159 -1.016 6.970 1.00 0.00 H new ATOM 463 N HIS A 31 8.488 -0.082 5.690 1.00 0.00 N ATOM 464 CA HIS A 31 9.304 -1.152 5.091 1.00 0.00 C ATOM 465 C HIS A 31 10.589 -0.604 4.442 1.00 0.00 C ATOM 466 O HIS A 31 11.520 -1.364 4.168 1.00 0.00 O ATOM 467 CB HIS A 31 8.463 -1.981 4.109 1.00 0.00 C ATOM 468 CG HIS A 31 7.199 -2.572 4.695 1.00 0.00 C ATOM 469 ND1 HIS A 31 7.106 -3.376 5.805 1.00 0.00 N ATOM 470 CD2 HIS A 31 5.941 -2.491 4.161 1.00 0.00 C ATOM 471 CE1 HIS A 31 5.827 -3.759 5.947 1.00 0.00 C ATOM 472 NE2 HIS A 31 5.056 -3.233 4.966 1.00 0.00 N ATOM 0 H HIS A 31 7.913 0.423 5.016 1.00 0.00 H new ATOM 0 HA HIS A 31 9.631 -1.816 5.891 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.193 -1.350 3.262 1.00 0.00 H new ATOM 0 HB3 HIS A 31 9.079 -2.791 3.720 1.00 0.00 H new ATOM 0 HD1 HIS A 31 7.878 -3.638 6.418 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.672 -1.947 3.268 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.463 -4.400 6.736 1.00 0.00 H new ATOM 480 N GLY A 32 10.659 0.717 4.227 1.00 0.00 N ATOM 481 CA GLY A 32 11.854 1.430 3.759 1.00 0.00 C ATOM 482 C GLY A 32 12.366 1.043 2.363 1.00 0.00 C ATOM 483 O GLY A 32 13.553 1.219 2.078 1.00 0.00 O ATOM 0 H GLY A 32 9.863 1.336 4.378 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.640 2.499 3.762 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.657 1.264 4.478 1.00 0.00 H new ATOM 487 N ALA A 33 11.502 0.507 1.496 1.00 0.00 N ATOM 488 CA ALA A 33 11.838 0.104 0.135 1.00 0.00 C ATOM 489 C ALA A 33 12.237 1.325 -0.709 1.00 0.00 C ATOM 490 O ALA A 33 11.440 2.244 -0.908 1.00 0.00 O ATOM 491 CB ALA A 33 10.641 -0.637 -0.471 1.00 0.00 C ATOM 0 H ALA A 33 10.524 0.339 1.732 1.00 0.00 H new ATOM 0 HA ALA A 33 12.697 -0.567 0.148 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.880 -0.943 -1.489 1.00 0.00 H new ATOM 0 HB2 ALA A 33 10.416 -1.518 0.130 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.774 0.023 -0.485 1.00 0.00 H new ATOM 497 N ALA A 34 13.465 1.313 -1.218 1.00 0.00 N ATOM 498 CA ALA A 34 14.090 2.434 -1.938 1.00 0.00 C ATOM 499 C ALA A 34 13.811 2.491 -3.460 1.00 0.00 C ATOM 500 O ALA A 34 14.325 3.372 -4.154 1.00 0.00 O ATOM 501 CB ALA A 34 15.590 2.429 -1.610 1.00 0.00 C ATOM 0 H ALA A 34 14.077 0.501 -1.142 1.00 0.00 H new ATOM 0 HA ALA A 34 13.621 3.352 -1.585 1.00 0.00 H new ATOM 0 HB1 ALA A 34 16.079 3.252 -2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 34 15.728 2.548 -0.535 1.00 0.00 H new ATOM 0 HB3 ALA A 34 16.029 1.484 -1.930 1.00 0.00 H new ATOM 507 N GLN A 35 12.998 1.562 -3.974 1.00 0.00 N ATOM 508 CA GLN A 35 12.572 1.438 -5.384 1.00 0.00 C ATOM 509 C GLN A 35 11.062 1.192 -5.481 1.00 0.00 C ATOM 510 O GLN A 35 10.552 0.301 -4.766 1.00 0.00 O ATOM 511 CB GLN A 35 13.362 0.319 -6.090 1.00 0.00 C ATOM 512 CG GLN A 35 14.866 0.629 -6.220 1.00 0.00 C ATOM 513 CD GLN A 35 15.659 -0.427 -7.004 1.00 0.00 C ATOM 514 OE1 GLN A 35 15.152 -1.444 -7.467 1.00 0.00 O ATOM 515 NE2 GLN A 35 16.948 -0.231 -7.188 1.00 0.00 N ATOM 516 OXT GLN A 35 10.360 1.958 -6.177 1.00 0.00 O ATOM 0 H GLN A 35 12.593 0.831 -3.389 1.00 0.00 H new ATOM 0 HA GLN A 35 12.788 2.379 -5.891 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.236 -0.611 -5.536 1.00 0.00 H new ATOM 0 HB3 GLN A 35 12.943 0.158 -7.083 1.00 0.00 H new ATOM 0 HG2 GLN A 35 14.986 1.595 -6.710 1.00 0.00 H new ATOM 0 HG3 GLN A 35 15.294 0.722 -5.222 1.00 0.00 H new ATOM 0 HE21 GLN A 35 17.395 0.606 -6.814 1.00 0.00 H new ATOM 0 HE22 GLN A 35 17.499 -0.916 -7.705 1.00 0.00 H new TER 525 GLN A 35 HETATM 526 ZN ZN A 101 3.159 -3.210 4.696 1.00 0.00 ZN