USER MOD reduce.3.24.130724 H: found=0, std=0, add=250, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 207 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 Set 1.1: A 26 GLN : amide:sc= 1.02 K(o=2.2,f=-1.2) USER MOD Set 1.2: A 37 TYR OH : rot -44:sc= 1.22 USER MOD Set 2.1: A 22 THR OG1 : rot 171:sc= 0.904 USER MOD Set 2.2: A 24 SER OG : rot 95:sc= 1.07 USER MOD Single : A 7 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0808) USER MOD Single : A 11 SER OG : rot 35:sc= 0.873 USER MOD Single : A 12 SER OG : rot 180:sc= 0.153 USER MOD Single : A 16 THR OG1 : rot 74:sc= 1.54 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -141:sc= 1.32 (180deg=0.307) USER MOD Single : A 30 GLN : amide:sc= 0.776 K(o=0.78,f=-8.8!) USER MOD Single : A 31 ASN : amide:sc= -0.0258 K(o=-0.026,f=-2.3!) USER MOD Single : A 32 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.2!) USER MOD Single : A 33 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 27 N LEU A 3 3.061 -0.397 7.051 1.00 0.00 N ATOM 28 CA LEU A 3 3.502 0.884 6.541 1.00 0.00 C ATOM 29 C LEU A 3 4.772 0.638 5.740 1.00 0.00 C ATOM 30 O LEU A 3 5.630 -0.117 6.192 1.00 0.00 O ATOM 31 CB LEU A 3 3.651 1.937 7.648 1.00 0.00 C ATOM 32 CG LEU A 3 4.796 1.700 8.648 1.00 0.00 C ATOM 33 CD1 LEU A 3 5.064 3.000 9.419 1.00 0.00 C ATOM 34 CD2 LEU A 3 4.499 0.585 9.657 1.00 0.00 C ATOM 0 HA LEU A 3 2.748 1.317 5.884 1.00 0.00 H new ATOM 0 HB2 LEU A 3 3.798 2.910 7.180 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.714 1.989 8.203 1.00 0.00 H new ATOM 0 HG LEU A 3 5.664 1.389 8.067 1.00 0.00 H new ATOM 0 HD11 LEU A 3 5.874 2.841 10.130 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.345 3.787 8.719 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.163 3.297 9.956 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.347 0.470 10.332 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.609 0.842 10.232 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.329 -0.351 9.125 1.00 0.00 H new ATOM 45 N ILE A 4 4.842 1.161 4.513 1.00 0.00 N ATOM 46 CA ILE A 4 5.840 0.781 3.549 1.00 0.00 C ATOM 47 C ILE A 4 6.343 2.063 2.880 1.00 0.00 C ATOM 48 O ILE A 4 5.781 3.136 3.110 1.00 0.00 O ATOM 49 CB ILE A 4 5.143 -0.187 2.567 1.00 0.00 C ATOM 50 CG1 ILE A 4 4.376 0.500 1.432 1.00 0.00 C ATOM 51 CG2 ILE A 4 4.149 -1.133 3.265 1.00 0.00 C ATOM 52 CD1 ILE A 4 4.715 -0.157 0.112 1.00 0.00 C ATOM 0 H ILE A 4 4.192 1.869 4.171 1.00 0.00 H new ATOM 0 HA ILE A 4 6.707 0.277 3.976 1.00 0.00 H new ATOM 0 HB ILE A 4 5.981 -0.742 2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.303 0.436 1.615 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.631 1.559 1.397 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.690 -1.789 2.525 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.677 -1.734 4.005 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.375 -0.547 3.759 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.167 0.336 -0.691 1.00 0.00 H new ATOM 0 HD12 ILE A 4 5.786 -0.070 -0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.437 -1.210 0.148 1.00 0.00 H new ATOM 63 N ASP A 5 7.309 1.942 1.968 1.00 0.00 N ATOM 64 CA ASP A 5 7.481 2.926 0.909 1.00 0.00 C ATOM 65 C ASP A 5 7.578 2.188 -0.416 1.00 0.00 C ATOM 66 O ASP A 5 8.615 1.619 -0.751 1.00 0.00 O ATOM 67 CB ASP A 5 8.689 3.834 1.145 1.00 0.00 C ATOM 68 CG ASP A 5 8.889 4.827 -0.002 1.00 0.00 C ATOM 69 OD1 ASP A 5 7.981 4.925 -0.860 1.00 0.00 O ATOM 70 OD2 ASP A 5 9.945 5.492 0.005 1.00 0.00 O ATOM 0 H ASP A 5 7.980 1.174 1.945 1.00 0.00 H new ATOM 0 HA ASP A 5 6.618 3.592 0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.556 4.380 2.079 1.00 0.00 H new ATOM 0 HB3 ASP A 5 9.585 3.224 1.258 1.00 0.00 H new ATOM 74 N VAL A 6 6.474 2.205 -1.159 1.00 0.00 N ATOM 75 CA VAL A 6 6.539 2.178 -2.606 1.00 0.00 C ATOM 76 C VAL A 6 5.631 3.298 -3.087 1.00 0.00 C ATOM 77 O VAL A 6 4.653 3.644 -2.422 1.00 0.00 O ATOM 78 CB VAL A 6 6.205 0.789 -3.187 1.00 0.00 C ATOM 79 CG1 VAL A 6 4.735 0.634 -3.609 1.00 0.00 C ATOM 80 CG2 VAL A 6 7.098 0.508 -4.402 1.00 0.00 C ATOM 0 H VAL A 6 5.528 2.237 -0.778 1.00 0.00 H new ATOM 0 HA VAL A 6 7.553 2.349 -2.967 1.00 0.00 H new ATOM 0 HB VAL A 6 6.388 0.073 -2.386 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.575 -0.368 -4.008 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.090 0.788 -2.744 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.497 1.372 -4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.859 -0.474 -4.810 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.926 1.269 -5.164 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.144 0.530 -4.097 1.00 0.00 H new ATOM 90 N LYS A 7 5.993 3.889 -4.222 1.00 0.00 N ATOM 91 CA LYS A 7 5.385 5.097 -4.729 1.00 0.00 C ATOM 92 C LYS A 7 3.917 4.862 -5.078 1.00 0.00 C ATOM 93 O LYS A 7 3.605 4.113 -6.000 1.00 0.00 O ATOM 94 CB LYS A 7 6.213 5.598 -5.917 1.00 0.00 C ATOM 95 CG LYS A 7 7.555 6.135 -5.390 1.00 0.00 C ATOM 96 CD LYS A 7 8.643 6.100 -6.472 1.00 0.00 C ATOM 97 CE LYS A 7 10.006 6.500 -5.891 1.00 0.00 C ATOM 98 NZ LYS A 7 10.003 7.863 -5.325 1.00 0.00 N ATOM 0 H LYS A 7 6.734 3.527 -4.822 1.00 0.00 H new ATOM 0 HA LYS A 7 5.385 5.874 -3.964 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.382 4.789 -6.628 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.675 6.382 -6.449 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.425 7.158 -5.038 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.874 5.541 -4.534 1.00 0.00 H new ATOM 0 HD2 LYS A 7 8.705 5.099 -6.899 1.00 0.00 H new ATOM 0 HD3 LYS A 7 8.376 6.777 -7.284 1.00 0.00 H new ATOM 0 HE2 LYS A 7 10.289 5.789 -5.115 1.00 0.00 H new ATOM 0 HE3 LYS A 7 10.763 6.437 -6.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 10.971 8.129 -5.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 9.646 8.533 -6.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 9.390 7.889 -4.486 1.00 0.00 H new ATOM 108 N CYS A 8 3.010 5.535 -4.364 1.00 0.00 N ATOM 109 CA CYS A 8 1.592 5.460 -4.683 1.00 0.00 C ATOM 110 C CYS A 8 1.310 6.245 -5.943 1.00 0.00 C ATOM 111 O CYS A 8 1.502 7.459 -5.982 1.00 0.00 O ATOM 112 CB CYS A 8 0.737 5.950 -3.536 1.00 0.00 C ATOM 113 SG CYS A 8 -0.735 6.965 -3.849 1.00 0.00 S ATOM 0 H CYS A 8 3.235 6.132 -3.568 1.00 0.00 H new ATOM 0 HA CYS A 8 1.332 4.415 -4.851 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.409 5.071 -2.981 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.386 6.521 -2.873 1.00 0.00 H new ATOM 117 N PHE A 9 0.806 5.512 -6.929 1.00 0.00 N ATOM 118 CA PHE A 9 0.009 6.064 -8.006 1.00 0.00 C ATOM 119 C PHE A 9 -1.431 6.274 -7.509 1.00 0.00 C ATOM 120 O PHE A 9 -2.165 7.077 -8.072 1.00 0.00 O ATOM 121 CB PHE A 9 0.058 5.112 -9.210 1.00 0.00 C ATOM 122 CG PHE A 9 -0.030 5.820 -10.550 1.00 0.00 C ATOM 123 CD1 PHE A 9 -1.278 6.220 -11.062 1.00 0.00 C ATOM 124 CD2 PHE A 9 1.148 6.141 -11.245 1.00 0.00 C ATOM 125 CE1 PHE A 9 -1.343 6.939 -12.270 1.00 0.00 C ATOM 126 CE2 PHE A 9 1.082 6.856 -12.456 1.00 0.00 C ATOM 127 CZ PHE A 9 -0.164 7.255 -12.966 1.00 0.00 C ATOM 0 H PHE A 9 0.944 4.504 -6.999 1.00 0.00 H new ATOM 0 HA PHE A 9 0.405 7.029 -8.321 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.984 4.539 -9.172 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.762 4.398 -9.131 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -2.185 5.976 -10.529 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.106 5.839 -10.849 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -2.300 7.248 -12.663 1.00 0.00 H new ATOM 0 HE2 PHE A 9 1.988 7.097 -12.992 1.00 0.00 H new ATOM 0 HZ PHE A 9 -0.216 7.805 -13.894 1.00 0.00 H new ATOM 136 N ALA A 10 -1.836 5.538 -6.460 1.00 0.00 N ATOM 137 CA ALA A 10 -3.185 5.523 -5.910 1.00 0.00 C ATOM 138 C ALA A 10 -3.229 4.535 -4.741 1.00 0.00 C ATOM 139 O ALA A 10 -2.470 3.567 -4.718 1.00 0.00 O ATOM 140 CB ALA A 10 -4.212 5.094 -6.967 1.00 0.00 C ATOM 0 H ALA A 10 -1.201 4.916 -5.959 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.436 6.530 -5.577 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.209 5.093 -6.526 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.186 5.792 -7.804 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.971 4.092 -7.323 1.00 0.00 H new ATOM 146 N SER A 11 -4.153 4.744 -3.799 1.00 0.00 N ATOM 147 CA SER A 11 -4.432 3.795 -2.724 1.00 0.00 C ATOM 148 C SER A 11 -4.714 2.393 -3.247 1.00 0.00 C ATOM 149 O SER A 11 -4.307 1.408 -2.631 1.00 0.00 O ATOM 150 CB SER A 11 -5.634 4.281 -1.915 1.00 0.00 C ATOM 151 OG SER A 11 -5.241 5.348 -1.075 1.00 0.00 O ATOM 0 H SER A 11 -4.731 5.583 -3.763 1.00 0.00 H new ATOM 0 HA SER A 11 -3.542 3.742 -2.097 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.429 4.607 -2.586 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.037 3.464 -1.317 1.00 0.00 H new ATOM 0 HG SER A 11 -4.560 5.888 -1.529 1.00 0.00 H new ATOM 156 N SER A 12 -5.427 2.300 -4.365 1.00 0.00 N ATOM 157 CA SER A 12 -5.765 1.033 -4.973 1.00 0.00 C ATOM 158 C SER A 12 -4.519 0.248 -5.388 1.00 0.00 C ATOM 159 O SER A 12 -4.586 -0.969 -5.507 1.00 0.00 O ATOM 160 CB SER A 12 -6.701 1.303 -6.158 1.00 0.00 C ATOM 161 OG SER A 12 -6.449 2.602 -6.676 1.00 0.00 O ATOM 0 H SER A 12 -5.785 3.110 -4.872 1.00 0.00 H new ATOM 0 HA SER A 12 -6.277 0.403 -4.245 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.547 0.554 -6.935 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.740 1.222 -5.840 1.00 0.00 H new ATOM 0 HG SER A 12 -7.046 2.773 -7.434 1.00 0.00 H new ATOM 166 N GLU A 13 -3.380 0.919 -5.587 1.00 0.00 N ATOM 167 CA GLU A 13 -2.142 0.232 -5.899 1.00 0.00 C ATOM 168 C GLU A 13 -1.657 -0.530 -4.667 1.00 0.00 C ATOM 169 O GLU A 13 -1.378 -1.716 -4.724 1.00 0.00 O ATOM 170 CB GLU A 13 -1.078 1.254 -6.257 1.00 0.00 C ATOM 171 CG GLU A 13 -0.011 0.680 -7.206 1.00 0.00 C ATOM 172 CD GLU A 13 0.577 -0.644 -6.730 1.00 0.00 C ATOM 173 OE1 GLU A 13 1.520 -0.573 -5.915 1.00 0.00 O ATOM 174 OE2 GLU A 13 0.043 -1.697 -7.153 1.00 0.00 O ATOM 0 H GLU A 13 -3.299 1.934 -5.536 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.316 -0.453 -6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.550 2.118 -6.725 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.597 1.609 -5.345 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -0.452 0.539 -8.193 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.794 1.407 -7.317 1.00 0.00 H new ATOM 179 N CYS A 14 -1.575 0.154 -3.519 1.00 0.00 N ATOM 180 CA CYS A 14 -1.126 -0.362 -2.242 1.00 0.00 C ATOM 181 C CYS A 14 -1.798 -1.680 -1.940 1.00 0.00 C ATOM 182 O CYS A 14 -1.259 -2.514 -1.220 1.00 0.00 O ATOM 183 CB CYS A 14 -1.552 0.585 -1.130 1.00 0.00 C ATOM 184 SG CYS A 14 -1.230 2.319 -1.349 1.00 0.00 S ATOM 0 H CYS A 14 -1.838 1.138 -3.465 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.043 -0.473 -2.294 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.624 0.460 -0.976 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.059 0.266 -0.212 1.00 0.00 H new ATOM 188 N TRP A 15 -3.005 -1.830 -2.482 1.00 0.00 N ATOM 189 CA TRP A 15 -3.713 -3.088 -2.400 1.00 0.00 C ATOM 190 C TRP A 15 -2.876 -4.141 -3.122 1.00 0.00 C ATOM 191 O TRP A 15 -2.304 -5.013 -2.473 1.00 0.00 O ATOM 192 CB TRP A 15 -5.128 -2.968 -2.960 1.00 0.00 C ATOM 193 CG TRP A 15 -6.039 -1.952 -2.350 1.00 0.00 C ATOM 194 CD1 TRP A 15 -5.716 -1.087 -1.369 1.00 0.00 C ATOM 195 CD2 TRP A 15 -7.419 -1.655 -2.702 1.00 0.00 C ATOM 196 NE1 TRP A 15 -6.790 -0.278 -1.092 1.00 0.00 N ATOM 197 CE2 TRP A 15 -7.874 -0.577 -1.886 1.00 0.00 C ATOM 198 CE3 TRP A 15 -8.329 -2.178 -3.641 1.00 0.00 C ATOM 199 CZ2 TRP A 15 -9.171 -0.051 -1.990 1.00 0.00 C ATOM 200 CZ3 TRP A 15 -9.632 -1.663 -3.754 1.00 0.00 C ATOM 201 CH2 TRP A 15 -10.055 -0.603 -2.932 1.00 0.00 C ATOM 0 H TRP A 15 -3.505 -1.093 -2.980 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.842 -3.388 -1.360 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -5.049 -2.749 -4.025 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -5.607 -3.943 -2.870 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.757 -1.037 -0.875 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -6.785 0.456 -0.384 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -8.021 -2.988 -4.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -9.484 0.765 -1.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -10.314 -2.085 -4.478 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -11.058 -0.214 -3.025 1.00 0.00 H new ATOM 211 N THR A 16 -2.753 -4.045 -4.449 1.00 0.00 N ATOM 212 CA THR A 16 -1.903 -4.911 -5.244 1.00 0.00 C ATOM 213 C THR A 16 -0.474 -4.987 -4.695 1.00 0.00 C ATOM 214 O THR A 16 0.119 -6.056 -4.783 1.00 0.00 O ATOM 215 CB THR A 16 -1.948 -4.472 -6.720 1.00 0.00 C ATOM 216 OG1 THR A 16 -2.218 -3.092 -6.844 1.00 0.00 O ATOM 217 CG2 THR A 16 -3.077 -5.207 -7.448 1.00 0.00 C ATOM 0 H THR A 16 -3.253 -3.349 -5.002 1.00 0.00 H new ATOM 0 HA THR A 16 -2.290 -5.928 -5.181 1.00 0.00 H new ATOM 0 HB THR A 16 -0.973 -4.703 -7.148 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.423 -2.579 -6.590 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.103 -4.892 -8.491 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.903 -6.282 -7.398 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.030 -4.971 -6.974 1.00 0.00 H new ATOM 225 N ALA A 17 0.084 -3.935 -4.084 1.00 0.00 N ATOM 226 CA ALA A 17 1.391 -4.053 -3.443 1.00 0.00 C ATOM 227 C ALA A 17 1.342 -5.056 -2.287 1.00 0.00 C ATOM 228 O ALA A 17 2.146 -5.984 -2.211 1.00 0.00 O ATOM 229 CB ALA A 17 1.888 -2.685 -2.970 1.00 0.00 C ATOM 0 H ALA A 17 -0.342 -3.011 -4.022 1.00 0.00 H new ATOM 0 HA ALA A 17 2.101 -4.430 -4.180 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.863 -2.796 -2.496 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.975 -2.014 -3.825 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.181 -2.269 -2.252 1.00 0.00 H new ATOM 235 N CYS A 18 0.375 -4.889 -1.383 1.00 0.00 N ATOM 236 CA CYS A 18 0.206 -5.793 -0.255 1.00 0.00 C ATOM 237 C CYS A 18 -0.071 -7.202 -0.760 1.00 0.00 C ATOM 238 O CYS A 18 0.388 -8.189 -0.190 1.00 0.00 O ATOM 239 CB CYS A 18 -0.916 -5.324 0.670 1.00 0.00 C ATOM 240 SG CYS A 18 -0.635 -5.851 2.377 1.00 0.00 S ATOM 0 H CYS A 18 -0.305 -4.129 -1.415 1.00 0.00 H new ATOM 0 HA CYS A 18 1.130 -5.796 0.324 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.990 -4.237 0.632 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.868 -5.721 0.318 1.00 0.00 H new ATOM 244 N LYS A 19 -0.806 -7.316 -1.862 1.00 0.00 N ATOM 245 CA LYS A 19 -1.058 -8.597 -2.470 1.00 0.00 C ATOM 246 C LYS A 19 0.250 -9.224 -2.948 1.00 0.00 C ATOM 247 O LYS A 19 0.549 -10.373 -2.649 1.00 0.00 O ATOM 248 CB LYS A 19 -2.019 -8.400 -3.633 1.00 0.00 C ATOM 249 CG LYS A 19 -3.391 -8.027 -3.122 1.00 0.00 C ATOM 250 CD LYS A 19 -4.524 -8.260 -4.131 1.00 0.00 C ATOM 251 CE LYS A 19 -4.928 -9.747 -4.162 1.00 0.00 C ATOM 252 NZ LYS A 19 -6.064 -10.002 -5.072 1.00 0.00 N ATOM 0 H LYS A 19 -1.235 -6.527 -2.346 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.503 -9.274 -1.741 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.645 -7.618 -4.294 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.079 -9.315 -4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.599 -8.602 -2.220 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.386 -6.975 -2.835 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.386 -7.649 -3.864 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.204 -7.944 -5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.073 -10.347 -4.475 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.193 -10.070 -3.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.299 -11.015 -5.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.889 -9.451 -4.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.805 -9.719 -6.039 1.00 0.00 H new ATOM 262 N LYS A 20 1.021 -8.442 -3.697 1.00 0.00 N ATOM 263 CA LYS A 20 2.316 -8.832 -4.231 1.00 0.00 C ATOM 264 C LYS A 20 3.229 -9.372 -3.129 1.00 0.00 C ATOM 265 O LYS A 20 3.895 -10.384 -3.331 1.00 0.00 O ATOM 266 CB LYS A 20 2.964 -7.643 -4.964 1.00 0.00 C ATOM 267 CG LYS A 20 4.077 -8.059 -5.931 1.00 0.00 C ATOM 268 CD LYS A 20 3.488 -8.596 -7.242 1.00 0.00 C ATOM 269 CE LYS A 20 4.607 -8.940 -8.234 1.00 0.00 C ATOM 270 NZ LYS A 20 4.078 -9.400 -9.533 1.00 0.00 N ATOM 0 H LYS A 20 0.752 -7.493 -3.955 1.00 0.00 H new ATOM 0 HA LYS A 20 2.167 -9.639 -4.949 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.195 -7.104 -5.517 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.372 -6.950 -4.228 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.721 -7.205 -6.140 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.701 -8.823 -5.467 1.00 0.00 H new ATOM 0 HD2 LYS A 20 2.887 -9.483 -7.041 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.822 -7.852 -7.680 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.235 -8.063 -8.389 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.243 -9.716 -7.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.869 -9.621 -10.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.500 -10.253 -9.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.492 -8.651 -9.954 1.00 0.00 H new ATOM 280 N VAL A 21 3.292 -8.692 -1.979 1.00 0.00 N ATOM 281 CA VAL A 21 4.120 -9.046 -0.871 1.00 0.00 C ATOM 282 C VAL A 21 3.522 -10.245 -0.144 1.00 0.00 C ATOM 283 O VAL A 21 4.165 -11.286 -0.030 1.00 0.00 O ATOM 284 CB VAL A 21 4.121 -7.783 -0.011 1.00 0.00 C ATOM 285 CG1 VAL A 21 4.694 -8.045 1.354 1.00 0.00 C ATOM 286 CG2 VAL A 21 4.935 -6.670 -0.676 1.00 0.00 C ATOM 0 H VAL A 21 2.739 -7.852 -1.810 1.00 0.00 H new ATOM 0 HA VAL A 21 5.131 -9.346 -1.146 1.00 0.00 H new ATOM 0 HB VAL A 21 3.082 -7.471 0.091 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.679 -7.125 1.938 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.098 -8.805 1.859 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.721 -8.396 1.256 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.920 -5.782 -0.045 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.964 -7.003 -0.811 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.501 -6.432 -1.647 1.00 0.00 H new ATOM 296 N THR A 22 2.318 -10.059 0.414 1.00 0.00 N ATOM 297 CA THR A 22 1.717 -10.978 1.365 1.00 0.00 C ATOM 298 C THR A 22 0.514 -11.722 0.778 1.00 0.00 C ATOM 299 O THR A 22 0.273 -12.867 1.154 1.00 0.00 O ATOM 300 CB THR A 22 1.403 -10.300 2.721 1.00 0.00 C ATOM 301 OG1 THR A 22 0.429 -11.030 3.441 1.00 0.00 O ATOM 302 CG2 THR A 22 0.896 -8.860 2.652 1.00 0.00 C ATOM 0 H THR A 22 1.732 -9.250 0.208 1.00 0.00 H new ATOM 0 HA THR A 22 2.466 -11.741 1.576 1.00 0.00 H new ATOM 0 HB THR A 22 2.376 -10.286 3.211 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.353 -10.667 4.348 1.00 0.00 H new ATOM 0 HG21 THR A 22 0.710 -8.491 3.661 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.645 -8.233 2.168 1.00 0.00 H new ATOM 0 HG23 THR A 22 -0.030 -8.827 2.078 1.00 0.00 H new ATOM 310 N GLY A 23 -0.271 -11.068 -0.080 1.00 0.00 N ATOM 311 CA GLY A 23 -1.560 -11.575 -0.561 1.00 0.00 C ATOM 312 C GLY A 23 -2.715 -10.772 0.045 1.00 0.00 C ATOM 313 O GLY A 23 -3.811 -10.697 -0.512 1.00 0.00 O ATOM 0 H GLY A 23 -0.026 -10.157 -0.467 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.598 -11.513 -1.649 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.664 -12.628 -0.298 1.00 0.00 H new ATOM 317 N SER A 24 -2.453 -10.142 1.189 1.00 0.00 N ATOM 318 CA SER A 24 -3.441 -9.547 2.072 1.00 0.00 C ATOM 319 C SER A 24 -3.832 -8.161 1.562 1.00 0.00 C ATOM 320 O SER A 24 -3.513 -7.159 2.191 1.00 0.00 O ATOM 321 CB SER A 24 -2.856 -9.488 3.491 1.00 0.00 C ATOM 322 OG SER A 24 -2.329 -10.749 3.857 1.00 0.00 O ATOM 0 H SER A 24 -1.501 -10.030 1.537 1.00 0.00 H new ATOM 0 HA SER A 24 -4.348 -10.151 2.092 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.073 -8.731 3.538 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.630 -9.190 4.199 1.00 0.00 H new ATOM 0 HG SER A 24 -1.368 -10.770 3.665 1.00 0.00 H new ATOM 327 N GLY A 25 -4.489 -8.115 0.401 1.00 0.00 N ATOM 328 CA GLY A 25 -4.609 -6.941 -0.463 1.00 0.00 C ATOM 329 C GLY A 25 -5.431 -5.745 0.053 1.00 0.00 C ATOM 330 O GLY A 25 -6.290 -5.260 -0.678 1.00 0.00 O ATOM 0 H GLY A 25 -4.972 -8.930 0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.603 -6.584 -0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.047 -7.265 -1.407 1.00 0.00 H new ATOM 334 N GLN A 26 -5.231 -5.282 1.292 1.00 0.00 N ATOM 335 CA GLN A 26 -6.145 -4.408 2.011 1.00 0.00 C ATOM 336 C GLN A 26 -5.385 -3.232 2.640 1.00 0.00 C ATOM 337 O GLN A 26 -4.791 -3.376 3.714 1.00 0.00 O ATOM 338 CB GLN A 26 -6.841 -5.260 3.082 1.00 0.00 C ATOM 339 CG GLN A 26 -7.415 -6.544 2.474 1.00 0.00 C ATOM 340 CD GLN A 26 -8.233 -7.348 3.479 1.00 0.00 C ATOM 341 OE1 GLN A 26 -7.773 -8.364 3.989 1.00 0.00 O ATOM 342 NE2 GLN A 26 -9.452 -6.903 3.771 1.00 0.00 N ATOM 0 H GLN A 26 -4.399 -5.517 1.834 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.884 -3.978 1.335 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.131 -5.512 3.870 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.641 -4.684 3.547 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.042 -6.289 1.620 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.599 -7.161 2.097 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.805 -6.054 3.329 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.034 -7.411 4.437 1.00 0.00 H new ATOM 349 N GLY A 27 -5.397 -2.066 1.984 1.00 0.00 N ATOM 350 CA GLY A 27 -4.590 -0.926 2.404 1.00 0.00 C ATOM 351 C GLY A 27 -5.102 0.407 1.868 1.00 0.00 C ATOM 352 O GLY A 27 -6.257 0.493 1.434 1.00 0.00 O ATOM 0 H GLY A 27 -5.963 -1.891 1.154 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.568 -0.887 3.493 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.563 -1.074 2.069 1.00 0.00 H new ATOM 356 N LYS A 28 -4.256 1.440 1.915 1.00 0.00 N ATOM 357 CA LYS A 28 -4.430 2.747 1.289 1.00 0.00 C ATOM 358 C LYS A 28 -3.049 3.381 1.151 1.00 0.00 C ATOM 359 O LYS A 28 -2.110 2.971 1.836 1.00 0.00 O ATOM 360 CB LYS A 28 -5.336 3.688 2.107 1.00 0.00 C ATOM 361 CG LYS A 28 -6.839 3.404 1.983 1.00 0.00 C ATOM 362 CD LYS A 28 -7.409 2.811 3.283 1.00 0.00 C ATOM 363 CE LYS A 28 -8.789 2.185 3.038 1.00 0.00 C ATOM 364 NZ LYS A 28 -8.675 0.815 2.495 1.00 0.00 N ATOM 0 H LYS A 28 -3.375 1.378 2.425 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.915 2.602 0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.053 3.619 3.157 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.148 4.715 1.793 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.366 4.327 1.741 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.013 2.712 1.159 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.726 2.056 3.673 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.488 3.591 4.040 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.350 2.161 3.972 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.353 2.807 2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.409 0.665 1.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.736 0.689 2.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.799 0.125 3.264 1.00 0.00 H new ATOM 374 N CYS A 29 -2.925 4.368 0.259 1.00 0.00 N ATOM 375 CA CYS A 29 -1.676 5.072 0.059 1.00 0.00 C ATOM 376 C CYS A 29 -1.641 6.286 0.978 1.00 0.00 C ATOM 377 O CYS A 29 -2.685 6.734 1.446 1.00 0.00 O ATOM 378 CB CYS A 29 -1.437 5.477 -1.397 1.00 0.00 C ATOM 379 SG CYS A 29 -1.568 7.183 -1.952 1.00 0.00 S ATOM 0 H CYS A 29 -3.687 4.692 -0.336 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.864 4.389 0.308 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.433 5.140 -1.655 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.134 4.896 -2.002 1.00 0.00 H new ATOM 383 N GLN A 30 -0.451 6.825 1.227 1.00 0.00 N ATOM 384 CA GLN A 30 -0.275 8.061 1.964 1.00 0.00 C ATOM 385 C GLN A 30 0.779 8.867 1.218 1.00 0.00 C ATOM 386 O GLN A 30 1.866 8.347 0.977 1.00 0.00 O ATOM 387 CB GLN A 30 0.175 7.751 3.397 1.00 0.00 C ATOM 388 CG GLN A 30 0.141 9.020 4.260 1.00 0.00 C ATOM 389 CD GLN A 30 0.276 8.768 5.763 1.00 0.00 C ATOM 390 OE1 GLN A 30 0.323 7.635 6.240 1.00 0.00 O ATOM 391 NE2 GLN A 30 0.323 9.847 6.536 1.00 0.00 N ATOM 0 H GLN A 30 0.426 6.406 0.916 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.205 8.626 2.033 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.475 6.991 3.832 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.184 7.339 3.386 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.946 9.682 3.942 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.796 9.545 4.075 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.282 10.776 6.118 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.400 9.746 7.548 1.00 0.00 H new ATOM 398 N ASN A 31 0.472 10.114 0.858 1.00 0.00 N ATOM 399 CA ASN A 31 1.402 11.051 0.243 1.00 0.00 C ATOM 400 C ASN A 31 1.845 10.546 -1.134 1.00 0.00 C ATOM 401 O ASN A 31 1.288 10.948 -2.150 1.00 0.00 O ATOM 402 CB ASN A 31 2.574 11.344 1.200 1.00 0.00 C ATOM 403 CG ASN A 31 2.172 12.351 2.276 1.00 0.00 C ATOM 404 OD1 ASN A 31 1.386 12.039 3.165 1.00 0.00 O ATOM 405 ND2 ASN A 31 2.692 13.574 2.207 1.00 0.00 N ATOM 0 H ASN A 31 -0.459 10.508 0.992 1.00 0.00 H new ATOM 0 HA ASN A 31 0.902 12.003 0.067 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.903 10.417 1.670 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.421 11.732 0.634 1.00 0.00 H new ATOM 0 HD21 ASN A 31 2.439 14.276 2.903 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.344 13.810 1.458 1.00 0.00 H new ATOM 411 N ASN A 32 2.834 9.656 -1.162 1.00 0.00 N ATOM 412 CA ASN A 32 3.319 8.920 -2.302 1.00 0.00 C ATOM 413 C ASN A 32 4.155 7.754 -1.736 1.00 0.00 C ATOM 414 O ASN A 32 5.267 7.473 -2.175 1.00 0.00 O ATOM 415 CB ASN A 32 4.070 9.884 -3.233 1.00 0.00 C ATOM 416 CG ASN A 32 4.802 9.134 -4.307 1.00 0.00 C ATOM 417 OD1 ASN A 32 6.022 9.201 -4.437 1.00 0.00 O ATOM 418 ND2 ASN A 32 4.060 8.272 -4.970 1.00 0.00 N ATOM 0 H ASN A 32 3.351 9.420 -0.315 1.00 0.00 H new ATOM 0 HA ASN A 32 2.535 8.489 -2.925 1.00 0.00 H new ATOM 0 HB2 ASN A 32 3.365 10.580 -3.687 1.00 0.00 H new ATOM 0 HB3 ASN A 32 4.776 10.478 -2.654 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.495 7.622 -5.625 1.00 0.00 H new ATOM 0 HD22 ASN A 32 3.050 8.254 -4.829 1.00 0.00 H new ATOM 424 N GLN A 33 3.612 7.115 -0.700 1.00 0.00 N ATOM 425 CA GLN A 33 4.069 5.935 0.009 1.00 0.00 C ATOM 426 C GLN A 33 2.782 5.143 0.271 1.00 0.00 C ATOM 427 O GLN A 33 1.710 5.597 -0.135 1.00 0.00 O ATOM 428 CB GLN A 33 4.713 6.342 1.343 1.00 0.00 C ATOM 429 CG GLN A 33 6.025 7.123 1.203 1.00 0.00 C ATOM 430 CD GLN A 33 5.825 8.626 1.029 1.00 0.00 C ATOM 431 OE1 GLN A 33 5.386 9.313 1.946 1.00 0.00 O ATOM 432 NE2 GLN A 33 6.148 9.165 -0.143 1.00 0.00 N ATOM 0 H GLN A 33 2.740 7.458 -0.296 1.00 0.00 H new ATOM 0 HA GLN A 33 4.813 5.366 -0.548 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.002 6.948 1.905 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.901 5.443 1.931 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.639 6.946 2.086 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.579 6.737 0.347 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.511 8.576 -0.892 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.032 10.167 -0.293 1.00 0.00 H new ATOM 439 N CYS A 34 2.823 3.995 0.957 1.00 0.00 N ATOM 440 CA CYS A 34 1.646 3.150 1.053 1.00 0.00 C ATOM 441 C CYS A 34 1.618 2.365 2.349 1.00 0.00 C ATOM 442 O CYS A 34 2.632 2.238 3.039 1.00 0.00 O ATOM 443 CB CYS A 34 1.618 2.201 -0.149 1.00 0.00 C ATOM 444 SG CYS A 34 0.781 2.510 -1.717 1.00 0.00 S ATOM 0 H CYS A 34 3.647 3.641 1.443 1.00 0.00 H new ATOM 0 HA CYS A 34 0.761 3.786 1.048 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.662 2.015 -0.403 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.208 1.263 0.225 1.00 0.00 H new ATOM 448 N ARG A 35 0.419 1.896 2.703 1.00 0.00 N ATOM 449 CA ARG A 35 0.137 1.262 3.975 1.00 0.00 C ATOM 450 C ARG A 35 -0.886 0.167 3.747 1.00 0.00 C ATOM 451 O ARG A 35 -1.737 0.270 2.862 1.00 0.00 O ATOM 452 CB ARG A 35 -0.367 2.296 4.992 1.00 0.00 C ATOM 453 CG ARG A 35 0.709 3.371 5.127 1.00 0.00 C ATOM 454 CD ARG A 35 0.426 4.505 6.097 1.00 0.00 C ATOM 455 NE ARG A 35 0.671 4.001 7.431 1.00 0.00 N ATOM 456 CZ ARG A 35 0.814 4.752 8.535 1.00 0.00 C ATOM 457 NH1 ARG A 35 0.674 6.080 8.459 1.00 0.00 N ATOM 458 NH2 ARG A 35 1.109 4.170 9.702 1.00 0.00 N ATOM 0 H ARG A 35 -0.396 1.952 2.092 1.00 0.00 H new ATOM 0 HA ARG A 35 1.047 0.825 4.387 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.307 2.735 4.658 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.560 1.824 5.955 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.637 2.887 5.432 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.884 3.803 4.141 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.067 5.361 5.886 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.604 4.847 5.999 1.00 0.00 H new ATOM 0 HE ARG A 35 0.741 2.990 7.542 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.459 6.520 7.564 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.782 6.653 9.296 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.225 3.158 9.752 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.218 4.738 10.542 1.00 0.00 H new ATOM 469 N CYS A 36 -0.776 -0.883 4.552 1.00 0.00 N ATOM 470 CA CYS A 36 -1.658 -2.044 4.506 1.00 0.00 C ATOM 471 C CYS A 36 -2.063 -2.371 5.928 1.00 0.00 C ATOM 472 O CYS A 36 -1.435 -1.886 6.860 1.00 0.00 O ATOM 473 CB CYS A 36 -0.952 -3.193 3.783 1.00 0.00 C ATOM 474 SG CYS A 36 -1.940 -4.676 3.489 1.00 0.00 S ATOM 0 H CYS A 36 -0.056 -0.953 5.271 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.568 -1.849 3.938 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.593 -2.824 2.822 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -0.074 -3.476 4.364 1.00 0.00 H new ATOM 478 N TYR A 37 -3.154 -3.102 6.123 1.00 0.00 N ATOM 479 CA TYR A 37 -3.685 -3.354 7.448 1.00 0.00 C ATOM 480 C TYR A 37 -2.881 -4.447 8.159 1.00 0.00 C ATOM 481 O TYR A 37 -1.665 -4.326 8.321 1.00 0.00 O ATOM 482 CB TYR A 37 -5.182 -3.654 7.347 1.00 0.00 C ATOM 483 CG TYR A 37 -5.576 -5.117 7.281 1.00 0.00 C ATOM 484 CD1 TYR A 37 -5.105 -5.927 6.232 1.00 0.00 C ATOM 485 CD2 TYR A 37 -6.497 -5.642 8.209 1.00 0.00 C ATOM 486 CE1 TYR A 37 -5.651 -7.206 6.031 1.00 0.00 C ATOM 487 CE2 TYR A 37 -7.011 -6.938 8.028 1.00 0.00 C ATOM 488 CZ TYR A 37 -6.635 -7.694 6.907 1.00 0.00 C ATOM 489 OH TYR A 37 -7.302 -8.845 6.617 1.00 0.00 O ATOM 0 H TYR A 37 -3.689 -3.532 5.369 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.580 -2.466 8.071 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.679 -3.205 8.207 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.571 -3.156 6.459 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.323 -5.566 5.581 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -6.807 -5.050 9.057 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -5.315 -7.813 5.204 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -7.696 -7.352 8.753 1.00 0.00 H new ATOM 0 HH TYR A 37 -7.560 -8.844 5.672 1.00 0.00 H new