USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 249 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 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 160:sc= -0.0289 (180deg=-0.194) USER MOD Single : A 31 LYS NZ :NH3+ -169:sc= -0.067 (180deg=-0.36) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.00266 X(o=0.0027,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -117:sc= -1.75! (180deg=-5.46!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -1.16 K(o=-1.2,f=-3.5!) USER MOD Single : A 48 SER OG : rot -70:sc= -3.82! USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 22 -23.072 -7.182 0.388 1.00 0.00 N ATOM 2 CA LEU A 22 -21.784 -7.265 1.125 1.00 0.00 C ATOM 3 C LEU A 22 -21.433 -5.925 1.768 1.00 0.00 C ATOM 4 O LEU A 22 -22.238 -4.994 1.760 1.00 0.00 O ATOM 5 CB LEU A 22 -20.689 -7.685 0.142 1.00 0.00 C ATOM 6 CG LEU A 22 -20.460 -9.194 0.037 1.00 0.00 C ATOM 7 CD1 LEU A 22 -19.433 -9.504 -1.041 1.00 0.00 C ATOM 8 CD2 LEU A 22 -20.015 -9.759 1.378 1.00 0.00 C ATOM 0 HA LEU A 22 -21.872 -8.000 1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -20.942 -7.301 -0.846 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -19.754 -7.210 0.438 1.00 0.00 H new ATOM 0 HG LEU A 22 -21.402 -9.667 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -19.283 -10.582 -1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -19.790 -9.133 -2.002 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -18.488 -9.020 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -19.857 -10.833 1.286 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -19.085 -9.280 1.684 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -20.784 -9.569 2.126 1.00 0.00 H new ATOM 22 N TYR A 23 -20.226 -5.829 2.322 1.00 0.00 N ATOM 23 CA TYR A 23 -19.779 -4.590 2.966 1.00 0.00 C ATOM 24 C TYR A 23 -18.480 -4.085 2.346 1.00 0.00 C ATOM 25 O TYR A 23 -17.806 -4.811 1.615 1.00 0.00 O ATOM 26 CB TYR A 23 -19.577 -4.793 4.473 1.00 0.00 C ATOM 27 CG TYR A 23 -20.636 -5.659 5.118 1.00 0.00 C ATOM 28 CD1 TYR A 23 -21.848 -5.117 5.526 1.00 0.00 C ATOM 29 CD2 TYR A 23 -20.423 -7.017 5.319 1.00 0.00 C ATOM 30 CE1 TYR A 23 -22.818 -5.904 6.116 1.00 0.00 C ATOM 31 CE2 TYR A 23 -21.389 -7.811 5.908 1.00 0.00 C ATOM 32 CZ TYR A 23 -22.584 -7.250 6.305 1.00 0.00 C ATOM 33 OH TYR A 23 -23.547 -8.037 6.892 1.00 0.00 O ATOM 0 H TYR A 23 -19.543 -6.586 2.340 1.00 0.00 H new ATOM 0 HA TYR A 23 -20.560 -3.846 2.809 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -18.599 -5.244 4.642 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -19.568 -3.820 4.964 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -22.035 -4.063 5.380 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -19.488 -7.459 5.010 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -23.755 -5.467 6.428 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -21.209 -8.865 6.056 1.00 0.00 H new ATOM 0 HH TYR A 23 -23.224 -8.960 6.950 1.00 0.00 H new ATOM 43 N PRO A 24 -18.105 -2.829 2.645 1.00 0.00 N ATOM 44 CA PRO A 24 -16.884 -2.216 2.140 1.00 0.00 C ATOM 45 C PRO A 24 -15.653 -2.926 2.647 1.00 0.00 C ATOM 46 O PRO A 24 -15.747 -3.889 3.408 1.00 0.00 O ATOM 47 CB PRO A 24 -16.938 -0.801 2.737 1.00 0.00 C ATOM 48 CG PRO A 24 -18.360 -0.577 3.029 1.00 0.00 C ATOM 49 CD PRO A 24 -18.828 -1.897 3.514 1.00 0.00 C ATOM 0 HA PRO A 24 -16.826 -2.246 1.052 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.332 -0.728 3.640 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.556 -0.060 2.035 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.497 0.199 3.782 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.906 -0.259 2.141 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -18.586 -2.052 4.565 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -19.908 -2.006 3.416 1.00 0.00 H new ATOM 57 N ASP A 25 -14.497 -2.406 2.279 1.00 0.00 N ATOM 58 CA ASP A 25 -13.261 -2.951 2.761 1.00 0.00 C ATOM 59 C ASP A 25 -13.134 -2.574 4.221 1.00 0.00 C ATOM 60 O ASP A 25 -12.251 -3.045 4.938 1.00 0.00 O ATOM 61 CB ASP A 25 -12.112 -2.379 1.948 1.00 0.00 C ATOM 62 CG ASP A 25 -10.937 -3.331 1.841 1.00 0.00 C ATOM 63 OD1 ASP A 25 -10.291 -3.595 2.876 1.00 0.00 O ATOM 64 OD2 ASP A 25 -10.664 -3.813 0.721 1.00 0.00 O ATOM 0 H ASP A 25 -14.397 -1.610 1.650 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.238 -4.036 2.660 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.468 -2.134 0.947 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.778 -1.447 2.405 1.00 0.00 H new ATOM 69 N LEU A 26 -14.032 -1.678 4.636 1.00 0.00 N ATOM 70 CA LEU A 26 -14.058 -1.166 5.981 1.00 0.00 C ATOM 71 C LEU A 26 -12.760 -0.416 6.255 1.00 0.00 C ATOM 72 O LEU A 26 -12.501 0.036 7.371 1.00 0.00 O ATOM 73 CB LEU A 26 -14.286 -2.296 6.985 1.00 0.00 C ATOM 74 CG LEU A 26 -15.631 -2.245 7.713 1.00 0.00 C ATOM 75 CD1 LEU A 26 -15.878 -3.542 8.467 1.00 0.00 C ATOM 76 CD2 LEU A 26 -15.678 -1.056 8.662 1.00 0.00 C ATOM 0 H LEU A 26 -14.760 -1.294 4.034 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.890 -0.470 6.094 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.208 -3.249 6.462 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.487 -2.272 7.726 1.00 0.00 H new ATOM 0 HG LEU A 26 -16.421 -2.124 6.972 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -16.839 -3.488 8.979 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -15.887 -4.375 7.764 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -15.085 -3.694 9.199 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -16.641 -1.035 9.171 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -14.880 -1.147 9.399 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -15.546 -0.134 8.096 1.00 0.00 H new ATOM 88 N SER A 27 -11.958 -0.282 5.198 1.00 0.00 N ATOM 89 CA SER A 27 -10.694 0.413 5.259 1.00 0.00 C ATOM 90 C SER A 27 -10.726 1.637 4.351 1.00 0.00 C ATOM 91 O SER A 27 -10.690 2.763 4.831 1.00 0.00 O ATOM 92 CB SER A 27 -9.554 -0.517 4.841 1.00 0.00 C ATOM 93 OG SER A 27 -9.229 -1.424 5.880 1.00 0.00 O ATOM 0 H SER A 27 -12.178 -0.658 4.276 1.00 0.00 H new ATOM 0 HA SER A 27 -10.524 0.736 6.286 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.841 -1.071 3.947 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.675 0.073 4.581 1.00 0.00 H new ATOM 0 HG SER A 27 -8.499 -2.009 5.587 1.00 0.00 H new ATOM 99 N GLU A 28 -10.803 1.387 3.036 1.00 0.00 N ATOM 100 CA GLU A 28 -10.844 2.431 1.985 1.00 0.00 C ATOM 101 C GLU A 28 -10.347 3.834 2.431 1.00 0.00 C ATOM 102 O GLU A 28 -10.752 4.855 1.876 1.00 0.00 O ATOM 103 CB GLU A 28 -12.264 2.550 1.451 1.00 0.00 C ATOM 104 CG GLU A 28 -13.290 2.692 2.559 1.00 0.00 C ATOM 105 CD GLU A 28 -14.232 3.860 2.342 1.00 0.00 C ATOM 106 OE1 GLU A 28 -13.812 4.851 1.709 1.00 0.00 O ATOM 107 OE2 GLU A 28 -15.389 3.783 2.805 1.00 0.00 O ATOM 0 H GLU A 28 -10.839 0.440 2.660 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.146 2.101 1.216 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.328 3.412 0.788 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.499 1.670 0.853 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.870 1.772 2.631 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.775 2.819 3.511 1.00 0.00 H new ATOM 114 N ILE A 29 -9.473 3.845 3.416 1.00 0.00 N ATOM 115 CA ILE A 29 -8.852 5.037 4.002 1.00 0.00 C ATOM 116 C ILE A 29 -8.058 4.484 5.153 1.00 0.00 C ATOM 117 O ILE A 29 -8.206 4.834 6.324 1.00 0.00 O ATOM 118 CB ILE A 29 -9.855 6.112 4.487 1.00 0.00 C ATOM 119 CG1 ILE A 29 -11.127 5.476 5.054 1.00 0.00 C ATOM 120 CG2 ILE A 29 -10.199 7.063 3.351 1.00 0.00 C ATOM 121 CD1 ILE A 29 -10.965 4.940 6.461 1.00 0.00 C ATOM 0 H ILE A 29 -9.154 2.984 3.859 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.258 5.569 3.259 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.379 6.676 5.289 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.927 6.216 5.047 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.439 4.663 4.399 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.905 7.814 3.706 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.292 7.555 3.001 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.647 6.503 2.531 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.907 4.505 6.795 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.188 4.176 6.472 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.683 5.753 7.130 1.00 0.00 H new ATOM 133 N LYS A 30 -7.279 3.523 4.726 1.00 0.00 N ATOM 134 CA LYS A 30 -6.441 2.688 5.536 1.00 0.00 C ATOM 135 C LYS A 30 -5.785 1.730 4.558 1.00 0.00 C ATOM 136 O LYS A 30 -4.585 1.491 4.591 1.00 0.00 O ATOM 137 CB LYS A 30 -7.295 1.939 6.557 1.00 0.00 C ATOM 138 CG LYS A 30 -6.612 1.735 7.899 1.00 0.00 C ATOM 139 CD LYS A 30 -7.573 1.176 8.935 1.00 0.00 C ATOM 140 CE LYS A 30 -7.240 1.677 10.331 1.00 0.00 C ATOM 141 NZ LYS A 30 -7.563 3.121 10.495 1.00 0.00 N ATOM 0 H LYS A 30 -7.212 3.291 3.735 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.698 3.251 6.101 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.223 2.489 6.713 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.565 0.966 6.146 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.769 1.055 7.779 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.208 2.684 8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.593 1.462 8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.534 0.087 8.919 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.795 1.095 11.067 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.180 1.517 10.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.649 3.345 11.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.804 3.696 10.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.462 3.332 10.016 1.00 0.00 H new ATOM 155 N LYS A 31 -6.633 1.274 3.626 1.00 0.00 N ATOM 156 CA LYS A 31 -6.266 0.429 2.516 1.00 0.00 C ATOM 157 C LYS A 31 -5.462 1.280 1.551 1.00 0.00 C ATOM 158 O LYS A 31 -4.322 0.972 1.209 1.00 0.00 O ATOM 159 CB LYS A 31 -7.544 -0.043 1.809 1.00 0.00 C ATOM 160 CG LYS A 31 -7.360 -1.297 0.973 1.00 0.00 C ATOM 161 CD LYS A 31 -6.766 -0.968 -0.389 1.00 0.00 C ATOM 162 CE LYS A 31 -7.618 0.039 -1.146 1.00 0.00 C ATOM 163 NZ LYS A 31 -9.065 -0.305 -1.089 1.00 0.00 N ATOM 0 H LYS A 31 -7.627 1.501 3.638 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.693 -0.435 2.853 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.314 -0.228 2.558 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.909 0.759 1.167 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.708 -1.995 1.498 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.321 -1.795 0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.760 -0.569 -0.260 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -6.674 -1.882 -0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.464 1.033 -0.726 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.295 0.079 -2.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -9.590 0.289 -1.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.194 -1.307 -1.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.424 -0.138 -0.127 1.00 0.00 H new ATOM 177 N GLU A 32 -6.082 2.397 1.166 1.00 0.00 N ATOM 178 CA GLU A 32 -5.462 3.383 0.287 1.00 0.00 C ATOM 179 C GLU A 32 -4.244 3.937 0.982 1.00 0.00 C ATOM 180 O GLU A 32 -3.276 4.348 0.351 1.00 0.00 O ATOM 181 CB GLU A 32 -6.430 4.524 -0.030 1.00 0.00 C ATOM 182 CG GLU A 32 -7.878 4.130 0.103 1.00 0.00 C ATOM 183 CD GLU A 32 -8.740 4.635 -1.037 1.00 0.00 C ATOM 184 OE1 GLU A 32 -8.967 5.861 -1.112 1.00 0.00 O ATOM 185 OE2 GLU A 32 -9.190 3.804 -1.854 1.00 0.00 O ATOM 0 H GLU A 32 -7.029 2.641 1.457 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.188 2.903 -0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.225 5.361 0.638 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.248 4.875 -1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.950 3.043 0.151 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.268 4.517 1.044 1.00 0.00 H new ATOM 192 N TYR A 33 -4.304 3.885 2.305 1.00 0.00 N ATOM 193 CA TYR A 33 -3.213 4.316 3.149 1.00 0.00 C ATOM 194 C TYR A 33 -2.239 3.176 3.229 1.00 0.00 C ATOM 195 O TYR A 33 -1.034 3.350 3.413 1.00 0.00 O ATOM 196 CB TYR A 33 -3.755 4.665 4.524 1.00 0.00 C ATOM 197 CG TYR A 33 -2.780 4.421 5.643 1.00 0.00 C ATOM 198 CD1 TYR A 33 -1.722 5.285 5.861 1.00 0.00 C ATOM 199 CD2 TYR A 33 -2.920 3.323 6.473 1.00 0.00 C ATOM 200 CE1 TYR A 33 -0.821 5.064 6.886 1.00 0.00 C ATOM 201 CE2 TYR A 33 -2.027 3.089 7.502 1.00 0.00 C ATOM 202 CZ TYR A 33 -0.979 3.964 7.705 1.00 0.00 C ATOM 203 OH TYR A 33 -0.087 3.738 8.727 1.00 0.00 O ATOM 0 H TYR A 33 -5.115 3.541 2.819 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.718 5.201 2.749 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.048 5.715 4.533 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.657 4.081 4.707 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.598 6.146 5.220 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.740 2.638 6.315 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.000 5.747 7.045 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.148 2.228 8.142 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.341 2.923 9.209 1.00 0.00 H new ATOM 213 N ASN A 34 -2.803 2.004 3.051 1.00 0.00 N ATOM 214 CA ASN A 34 -2.065 0.788 3.054 1.00 0.00 C ATOM 215 C ASN A 34 -1.438 0.573 1.704 1.00 0.00 C ATOM 216 O ASN A 34 -0.602 -0.311 1.516 1.00 0.00 O ATOM 217 CB ASN A 34 -2.993 -0.365 3.371 1.00 0.00 C ATOM 218 CG ASN A 34 -2.319 -1.467 4.164 1.00 0.00 C ATOM 219 OD1 ASN A 34 -2.429 -1.523 5.389 1.00 0.00 O ATOM 220 ND2 ASN A 34 -1.616 -2.352 3.467 1.00 0.00 N ATOM 0 H ASN A 34 -3.804 1.880 2.899 1.00 0.00 H new ATOM 0 HA ASN A 34 -1.282 0.843 3.810 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.849 0.009 3.933 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.380 -0.779 2.440 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.140 -3.117 3.946 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.552 -2.267 2.453 1.00 0.00 H new ATOM 227 N VAL A 35 -1.865 1.387 0.760 1.00 0.00 N ATOM 228 CA VAL A 35 -1.370 1.292 -0.580 1.00 0.00 C ATOM 229 C VAL A 35 -0.248 2.273 -0.816 1.00 0.00 C ATOM 230 O VAL A 35 0.604 2.061 -1.666 1.00 0.00 O ATOM 231 CB VAL A 35 -2.481 1.530 -1.613 1.00 0.00 C ATOM 232 CG1 VAL A 35 -1.937 1.415 -3.031 1.00 0.00 C ATOM 233 CG2 VAL A 35 -3.635 0.562 -1.395 1.00 0.00 C ATOM 0 H VAL A 35 -2.557 2.122 0.907 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.991 0.278 -0.704 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.858 2.544 -1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.742 1.587 -3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.154 2.158 -3.181 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.525 0.417 -3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.411 0.748 -2.137 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.275 -0.462 -1.495 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.047 0.706 -0.396 1.00 0.00 H new ATOM 243 N LYS A 36 -0.256 3.340 -0.050 1.00 0.00 N ATOM 244 CA LYS A 36 0.758 4.351 -0.158 1.00 0.00 C ATOM 245 C LYS A 36 2.088 3.789 0.293 1.00 0.00 C ATOM 246 O LYS A 36 3.153 4.180 -0.182 1.00 0.00 O ATOM 247 CB LYS A 36 0.433 5.584 0.679 1.00 0.00 C ATOM 248 CG LYS A 36 -1.017 5.714 1.118 1.00 0.00 C ATOM 249 CD LYS A 36 -1.796 6.635 0.190 1.00 0.00 C ATOM 250 CE LYS A 36 -2.883 7.392 0.937 1.00 0.00 C ATOM 251 NZ LYS A 36 -4.239 6.841 0.658 1.00 0.00 N ATOM 0 H LYS A 36 -0.964 3.526 0.660 1.00 0.00 H new ATOM 0 HA LYS A 36 0.803 4.654 -1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 36 1.064 5.575 1.568 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.702 6.472 0.106 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.484 4.729 1.133 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.058 6.101 2.136 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.113 7.344 -0.277 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.245 6.049 -0.612 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.686 7.346 2.008 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.853 8.444 0.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.818 7.565 0.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.155 6.009 0.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.692 6.564 1.552 1.00 0.00 H new ATOM 265 N GLU A 37 1.982 2.857 1.218 1.00 0.00 N ATOM 266 CA GLU A 37 3.135 2.171 1.795 1.00 0.00 C ATOM 267 C GLU A 37 3.611 1.077 0.851 1.00 0.00 C ATOM 268 O GLU A 37 4.766 0.656 0.885 1.00 0.00 O ATOM 269 CB GLU A 37 2.770 1.566 3.152 1.00 0.00 C ATOM 270 CG GLU A 37 2.729 2.585 4.280 1.00 0.00 C ATOM 271 CD GLU A 37 3.380 2.075 5.550 1.00 0.00 C ATOM 272 OE1 GLU A 37 2.729 1.298 6.281 1.00 0.00 O ATOM 273 OE2 GLU A 37 4.541 2.451 5.815 1.00 0.00 O ATOM 0 H GLU A 37 1.088 2.547 1.598 1.00 0.00 H new ATOM 0 HA GLU A 37 3.937 2.894 1.939 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.796 1.082 3.075 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.493 0.789 3.401 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.232 3.497 3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.692 2.849 4.488 1.00 0.00 H new ATOM 280 N LYS A 38 2.698 0.646 -0.004 1.00 0.00 N ATOM 281 CA LYS A 38 2.961 -0.369 -0.990 1.00 0.00 C ATOM 282 C LYS A 38 3.300 0.282 -2.292 1.00 0.00 C ATOM 283 O LYS A 38 4.100 -0.219 -3.068 1.00 0.00 O ATOM 284 CB LYS A 38 1.742 -1.252 -1.159 1.00 0.00 C ATOM 285 CG LYS A 38 1.886 -2.283 -2.261 1.00 0.00 C ATOM 286 CD LYS A 38 2.972 -3.295 -1.938 1.00 0.00 C ATOM 287 CE LYS A 38 2.385 -4.598 -1.422 1.00 0.00 C ATOM 288 NZ LYS A 38 1.937 -5.484 -2.532 1.00 0.00 N ATOM 0 H LYS A 38 1.742 1.002 -0.026 1.00 0.00 H new ATOM 0 HA LYS A 38 3.799 -0.984 -0.662 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.542 -1.764 -0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.876 -0.625 -1.371 1.00 0.00 H new ATOM 0 HG2 LYS A 38 0.937 -2.799 -2.404 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.121 -1.783 -3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.565 -3.491 -2.831 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.648 -2.879 -1.191 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.130 -5.119 -0.820 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.541 -4.382 -0.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.543 -6.362 -2.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.208 -4.998 -3.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.747 -5.712 -3.143 1.00 0.00 H new ATOM 302 N ASP A 39 2.716 1.435 -2.496 1.00 0.00 N ATOM 303 CA ASP A 39 2.995 2.202 -3.694 1.00 0.00 C ATOM 304 C ASP A 39 4.318 2.919 -3.508 1.00 0.00 C ATOM 305 O ASP A 39 4.708 3.769 -4.308 1.00 0.00 O ATOM 306 CB ASP A 39 1.884 3.199 -3.978 1.00 0.00 C ATOM 307 CG ASP A 39 1.669 3.424 -5.462 1.00 0.00 C ATOM 308 OD1 ASP A 39 2.663 3.679 -6.175 1.00 0.00 O ATOM 309 OD2 ASP A 39 0.506 3.346 -5.912 1.00 0.00 O ATOM 0 H ASP A 39 2.048 1.865 -1.856 1.00 0.00 H new ATOM 0 HA ASP A 39 3.052 1.529 -4.549 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.957 2.842 -3.530 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.123 4.149 -3.501 1.00 0.00 H new ATOM 314 N GLN A 40 4.991 2.568 -2.416 1.00 0.00 N ATOM 315 CA GLN A 40 6.254 3.160 -2.067 1.00 0.00 C ATOM 316 C GLN A 40 7.283 2.111 -1.631 1.00 0.00 C ATOM 317 O GLN A 40 8.487 2.319 -1.779 1.00 0.00 O ATOM 318 CB GLN A 40 6.019 4.195 -0.968 1.00 0.00 C ATOM 319 CG GLN A 40 5.933 3.620 0.438 1.00 0.00 C ATOM 320 CD GLN A 40 6.613 4.499 1.470 1.00 0.00 C ATOM 321 OE1 GLN A 40 7.635 4.123 2.045 1.00 0.00 O ATOM 322 NE2 GLN A 40 6.049 5.677 1.709 1.00 0.00 N ATOM 0 H GLN A 40 4.665 1.863 -1.755 1.00 0.00 H new ATOM 0 HA GLN A 40 6.672 3.645 -2.949 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.826 4.927 -0.998 1.00 0.00 H new ATOM 0 HB3 GLN A 40 5.095 4.731 -1.184 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.886 3.490 0.710 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.390 2.631 0.451 1.00 0.00 H new ATOM 0 HE21 GLN A 40 5.202 5.948 1.209 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.463 6.311 2.392 1.00 0.00 H new ATOM 331 N VAL A 41 6.809 0.992 -1.080 1.00 0.00 N ATOM 332 CA VAL A 41 7.704 -0.064 -0.616 1.00 0.00 C ATOM 333 C VAL A 41 8.290 -0.850 -1.776 1.00 0.00 C ATOM 334 O VAL A 41 9.491 -1.108 -1.807 1.00 0.00 O ATOM 335 CB VAL A 41 6.997 -1.010 0.374 1.00 0.00 C ATOM 336 CG1 VAL A 41 7.575 -2.420 0.322 1.00 0.00 C ATOM 337 CG2 VAL A 41 7.077 -0.453 1.787 1.00 0.00 C ATOM 0 H VAL A 41 5.817 0.796 -0.946 1.00 0.00 H new ATOM 0 HA VAL A 41 8.525 0.424 -0.091 1.00 0.00 H new ATOM 0 HB VAL A 41 5.950 -1.075 0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 41 7.049 -3.055 1.035 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.455 -2.825 -0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.634 -2.389 0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.573 -1.132 2.475 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.122 -0.350 2.079 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.593 0.523 1.821 1.00 0.00 H new ATOM 347 N GLU A 42 7.442 -1.227 -2.725 1.00 0.00 N ATOM 348 CA GLU A 42 7.900 -1.984 -3.903 1.00 0.00 C ATOM 349 C GLU A 42 9.261 -1.463 -4.360 1.00 0.00 C ATOM 350 O GLU A 42 10.112 -2.221 -4.823 1.00 0.00 O ATOM 351 CB GLU A 42 6.908 -1.912 -5.084 1.00 0.00 C ATOM 352 CG GLU A 42 5.675 -1.047 -4.860 1.00 0.00 C ATOM 353 CD GLU A 42 5.012 -0.639 -6.162 1.00 0.00 C ATOM 354 OE1 GLU A 42 4.806 -1.518 -7.024 1.00 0.00 O ATOM 355 OE2 GLU A 42 4.698 0.560 -6.317 1.00 0.00 O ATOM 0 H GLU A 42 6.442 -1.028 -2.711 1.00 0.00 H new ATOM 0 HA GLU A 42 7.972 -3.028 -3.597 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.439 -1.535 -5.958 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.581 -2.924 -5.322 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.959 -1.592 -4.246 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.957 -0.153 -4.303 1.00 0.00 H new ATOM 362 N ASP A 43 9.452 -0.157 -4.201 1.00 0.00 N ATOM 363 CA ASP A 43 10.698 0.501 -4.564 1.00 0.00 C ATOM 364 C ASP A 43 11.854 -0.054 -3.770 1.00 0.00 C ATOM 365 O ASP A 43 12.895 -0.415 -4.315 1.00 0.00 O ATOM 366 CB ASP A 43 10.585 1.998 -4.291 1.00 0.00 C ATOM 367 CG ASP A 43 10.424 2.817 -5.556 1.00 0.00 C ATOM 368 OD1 ASP A 43 10.944 2.391 -6.609 1.00 0.00 O ATOM 369 OD2 ASP A 43 9.779 3.885 -5.495 1.00 0.00 O ATOM 0 H ASP A 43 8.747 0.472 -3.817 1.00 0.00 H new ATOM 0 HA ASP A 43 10.880 0.322 -5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.733 2.180 -3.636 1.00 0.00 H new ATOM 0 HB3 ASP A 43 11.475 2.333 -3.758 1.00 0.00 H new ATOM 374 N LEU A 44 11.663 -0.098 -2.472 1.00 0.00 N ATOM 375 CA LEU A 44 12.685 -0.581 -1.574 1.00 0.00 C ATOM 376 C LEU A 44 12.896 -2.086 -1.690 1.00 0.00 C ATOM 377 O LEU A 44 13.485 -2.719 -0.814 1.00 0.00 O ATOM 378 CB LEU A 44 12.380 -0.166 -0.144 1.00 0.00 C ATOM 379 CG LEU A 44 12.762 1.280 0.149 1.00 0.00 C ATOM 380 CD1 LEU A 44 11.530 2.105 0.492 1.00 0.00 C ATOM 381 CD2 LEU A 44 13.789 1.353 1.269 1.00 0.00 C ATOM 0 H LEU A 44 10.802 0.197 -2.012 1.00 0.00 H new ATOM 0 HA LEU A 44 13.626 -0.117 -1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.316 -0.301 0.049 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.915 -0.824 0.542 1.00 0.00 H new ATOM 0 HG LEU A 44 13.212 1.699 -0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.827 3.134 0.697 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.836 2.088 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 44 11.044 1.685 1.373 1.00 0.00 H new ATOM 0 HD21 LEU A 44 14.046 2.395 1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.373 0.910 2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.685 0.806 0.977 1.00 0.00 H new ATOM 393 N ASN A 45 12.449 -2.629 -2.804 1.00 0.00 N ATOM 394 CA ASN A 45 12.607 -4.040 -3.110 1.00 0.00 C ATOM 395 C ASN A 45 12.943 -4.188 -4.589 1.00 0.00 C ATOM 396 O ASN A 45 13.731 -5.048 -4.981 1.00 0.00 O ATOM 397 CB ASN A 45 11.333 -4.811 -2.764 1.00 0.00 C ATOM 398 CG ASN A 45 11.431 -6.284 -3.110 1.00 0.00 C ATOM 399 OD1 ASN A 45 11.777 -6.648 -4.234 1.00 0.00 O ATOM 400 ND2 ASN A 45 11.124 -7.141 -2.143 1.00 0.00 N ATOM 0 H ASN A 45 11.962 -2.102 -3.529 1.00 0.00 H new ATOM 0 HA ASN A 45 13.417 -4.456 -2.511 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.126 -4.705 -1.699 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.490 -4.371 -3.298 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.170 -8.145 -2.318 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.842 -6.795 -1.226 1.00 0.00 H new ATOM 407 N LEU A 46 12.360 -3.307 -5.396 1.00 0.00 N ATOM 408 CA LEU A 46 12.606 -3.286 -6.826 1.00 0.00 C ATOM 409 C LEU A 46 13.152 -1.923 -7.208 1.00 0.00 C ATOM 410 O LEU A 46 12.751 -1.317 -8.202 1.00 0.00 O ATOM 411 CB LEU A 46 11.326 -3.591 -7.604 1.00 0.00 C ATOM 412 CG LEU A 46 11.520 -4.424 -8.872 1.00 0.00 C ATOM 413 CD1 LEU A 46 11.381 -5.906 -8.564 1.00 0.00 C ATOM 414 CD2 LEU A 46 10.522 -4.004 -9.941 1.00 0.00 C ATOM 0 H LEU A 46 11.707 -2.592 -5.075 1.00 0.00 H new ATOM 0 HA LEU A 46 13.334 -4.056 -7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.635 -4.117 -6.945 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.852 -2.648 -7.876 1.00 0.00 H new ATOM 0 HG LEU A 46 12.526 -4.246 -9.251 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.522 -6.482 -9.478 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.134 -6.198 -7.831 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.387 -6.102 -8.161 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.673 -4.606 -10.837 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.508 -4.153 -9.571 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.669 -2.951 -10.182 1.00 0.00 H new ATOM 426 N ASP A 47 14.080 -1.462 -6.386 1.00 0.00 N ATOM 427 CA ASP A 47 14.731 -0.181 -6.569 1.00 0.00 C ATOM 428 C ASP A 47 15.723 0.093 -5.442 1.00 0.00 C ATOM 429 O ASP A 47 16.722 0.785 -5.638 1.00 0.00 O ATOM 430 CB ASP A 47 13.704 0.947 -6.634 1.00 0.00 C ATOM 431 CG ASP A 47 13.369 1.349 -8.058 1.00 0.00 C ATOM 432 OD1 ASP A 47 14.266 1.868 -8.755 1.00 0.00 O ATOM 433 OD2 ASP A 47 12.210 1.145 -8.475 1.00 0.00 O ATOM 0 H ASP A 47 14.404 -1.974 -5.565 1.00 0.00 H new ATOM 0 HA ASP A 47 15.273 -0.220 -7.514 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.793 0.633 -6.125 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.087 1.814 -6.096 1.00 0.00 H new ATOM 438 N SER A 48 15.447 -0.452 -4.261 1.00 0.00 N ATOM 439 CA SER A 48 16.330 -0.256 -3.115 1.00 0.00 C ATOM 440 C SER A 48 17.676 -0.885 -3.394 1.00 0.00 C ATOM 441 O SER A 48 18.723 -0.318 -3.089 1.00 0.00 O ATOM 442 CB SER A 48 15.755 -0.875 -1.844 1.00 0.00 C ATOM 443 OG SER A 48 15.353 0.124 -0.923 1.00 0.00 O ATOM 0 H SER A 48 14.627 -1.028 -4.073 1.00 0.00 H new ATOM 0 HA SER A 48 16.432 0.818 -2.961 1.00 0.00 H new ATOM 0 HB2 SER A 48 14.902 -1.504 -2.097 1.00 0.00 H new ATOM 0 HB3 SER A 48 16.501 -1.521 -1.381 1.00 0.00 H new ATOM 0 HG SER A 48 16.145 0.569 -0.557 1.00 0.00 H new ATOM 449 N LEU A 49 17.632 -2.065 -3.998 1.00 0.00 N ATOM 450 CA LEU A 49 18.850 -2.784 -4.348 1.00 0.00 C ATOM 451 C LEU A 49 19.387 -2.273 -5.682 1.00 0.00 C ATOM 452 O LEU A 49 20.213 -2.911 -6.335 1.00 0.00 O ATOM 453 CB LEU A 49 18.567 -4.289 -4.401 1.00 0.00 C ATOM 454 CG LEU A 49 18.175 -4.841 -5.776 1.00 0.00 C ATOM 455 CD1 LEU A 49 19.276 -5.733 -6.330 1.00 0.00 C ATOM 456 CD2 LEU A 49 16.861 -5.604 -5.691 1.00 0.00 C ATOM 0 H LEU A 49 16.769 -2.544 -4.255 1.00 0.00 H new ATOM 0 HA LEU A 49 19.611 -2.609 -3.587 1.00 0.00 H new ATOM 0 HB2 LEU A 49 19.454 -4.820 -4.056 1.00 0.00 H new ATOM 0 HB3 LEU A 49 17.766 -4.515 -3.697 1.00 0.00 H new ATOM 0 HG LEU A 49 18.041 -4.000 -6.457 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.978 -6.115 -7.307 1.00 0.00 H new ATOM 0 HD12 LEU A 49 20.195 -5.156 -6.431 1.00 0.00 H new ATOM 0 HD13 LEU A 49 19.444 -6.568 -5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 49 16.599 -5.988 -6.677 1.00 0.00 H new ATOM 0 HD22 LEU A 49 16.967 -6.435 -4.994 1.00 0.00 H new ATOM 0 HD23 LEU A 49 16.074 -4.936 -5.341 1.00 0.00 H new ATOM 468 N TRP A 50 18.883 -1.113 -6.065 1.00 0.00 N ATOM 469 CA TRP A 50 19.244 -0.454 -7.305 1.00 0.00 C ATOM 470 C TRP A 50 19.863 0.908 -7.014 1.00 0.00 C ATOM 471 O TRP A 50 20.453 1.544 -7.887 1.00 0.00 O ATOM 472 CB TRP A 50 17.986 -0.262 -8.151 1.00 0.00 C ATOM 473 CG TRP A 50 17.123 -1.485 -8.238 1.00 0.00 C ATOM 474 CD1 TRP A 50 16.662 -2.237 -7.199 1.00 0.00 C ATOM 475 CD2 TRP A 50 16.601 -2.080 -9.426 1.00 0.00 C ATOM 476 NE1 TRP A 50 15.902 -3.280 -7.671 1.00 0.00 N ATOM 477 CE2 TRP A 50 15.849 -3.204 -9.038 1.00 0.00 C ATOM 478 CE3 TRP A 50 16.703 -1.773 -10.780 1.00 0.00 C ATOM 479 CZ2 TRP A 50 15.203 -4.022 -9.961 1.00 0.00 C ATOM 480 CZ3 TRP A 50 16.062 -2.583 -11.699 1.00 0.00 C ATOM 481 CH2 TRP A 50 15.321 -3.697 -11.285 1.00 0.00 C ATOM 0 H TRP A 50 18.200 -0.595 -5.513 1.00 0.00 H new ATOM 0 HA TRP A 50 19.968 -1.068 -7.840 1.00 0.00 H new ATOM 0 HB2 TRP A 50 17.400 0.556 -7.733 1.00 0.00 H new ATOM 0 HB3 TRP A 50 18.278 0.037 -9.157 1.00 0.00 H new ATOM 0 HD1 TRP A 50 16.865 -2.042 -6.156 1.00 0.00 H new ATOM 0 HE1 TRP A 50 15.451 -3.993 -7.098 1.00 0.00 H new ATOM 0 HE3 TRP A 50 17.273 -0.916 -11.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 14.630 -4.881 -9.644 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 16.134 -2.353 -12.752 1.00 0.00 H new ATOM 0 HH2 TRP A 50 14.833 -4.312 -12.026 1.00 0.00 H new ATOM 492 N GLU A 51 19.695 1.346 -5.775 1.00 0.00 N ATOM 493 CA GLU A 51 20.194 2.628 -5.319 1.00 0.00 C ATOM 494 C GLU A 51 21.717 2.620 -5.195 1.00 0.00 C ATOM 495 O GLU A 51 22.327 1.568 -5.480 1.00 0.00 O ATOM 496 CB GLU A 51 19.536 2.945 -3.975 1.00 0.00 C ATOM 497 CG GLU A 51 20.169 2.219 -2.802 1.00 0.00 C ATOM 498 CD GLU A 51 19.337 2.310 -1.538 1.00 0.00 C ATOM 499 OE1 GLU A 51 19.507 3.292 -0.785 1.00 0.00 O ATOM 500 OE2 GLU A 51 18.514 1.400 -1.301 1.00 0.00 O ATOM 501 OXT GLU A 51 22.284 3.666 -4.816 1.00 0.00 O ATOM 0 H GLU A 51 19.205 0.815 -5.055 1.00 0.00 H new ATOM 0 HA GLU A 51 19.943 3.399 -6.048 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.589 4.019 -3.798 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.479 2.683 -4.026 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.311 1.170 -3.063 1.00 0.00 H new ATOM 0 HG3 GLU A 51 21.157 2.637 -2.612 1.00 0.00 H new TER 508 GLU A 51