USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 218 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 1 PHE N :NH3+ 167:sc= 0.748 (180deg=0.647) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0958 USER MOD Single : A 12 SER OG : rot 180:sc= 0.117 USER MOD Single : A 16 THR OG1 : rot 42:sc= 0.758 USER MOD Single : A 19 LYS NZ :NH3+ 154:sc= -0.0867 (180deg=-0.855) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc=-0.00658 (180deg=-0.00658) USER MOD Single : A 22 THR OG1 : rot -47:sc= 0.895 USER MOD Single : A 24 SER OG : rot 66:sc= 0.945 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ -163:sc= 1.18 (180deg=0.579) USER MOD Single : A 30 GLN : amide:sc= 0.783 K(o=0.78,f=-4.2!) USER MOD Single : A 31 ASN : amide:sc=-0.00369 X(o=-0.0037,f=0) USER MOD Single : A 32 ASN : amide:sc= 0.597 K(o=0.6,f=-0.27) USER MOD Single : A 33 GLN : amide:sc= 1.39 K(o=1.4,f=-3.3!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 0.800 -6.432 7.978 1.00 0.00 N ATOM 2 CA PHE A 1 0.255 -5.084 8.009 1.00 0.00 C ATOM 3 C PHE A 1 1.338 -4.061 8.368 1.00 0.00 C ATOM 4 O PHE A 1 2.373 -4.406 8.935 1.00 0.00 O ATOM 5 CB PHE A 1 -0.885 -4.993 9.039 1.00 0.00 C ATOM 6 CG PHE A 1 -1.982 -6.043 8.994 1.00 0.00 C ATOM 7 CD1 PHE A 1 -2.253 -6.787 7.826 1.00 0.00 C ATOM 8 CD2 PHE A 1 -2.757 -6.267 10.150 1.00 0.00 C ATOM 9 CE1 PHE A 1 -3.255 -7.772 7.836 1.00 0.00 C ATOM 10 CE2 PHE A 1 -3.771 -7.239 10.153 1.00 0.00 C ATOM 11 CZ PHE A 1 -4.019 -7.996 8.995 1.00 0.00 C ATOM 0 H1 PHE A 1 0.021 -7.121 7.953 1.00 0.00 H new ATOM 0 H2 PHE A 1 1.392 -6.548 7.131 1.00 0.00 H new ATOM 0 H3 PHE A 1 1.377 -6.593 8.828 1.00 0.00 H new ATOM 0 HA PHE A 1 -0.129 -4.858 7.014 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -0.438 -5.021 10.033 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -1.355 -4.016 8.929 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -1.690 -6.599 6.924 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -2.569 -5.686 11.041 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -3.439 -8.360 6.949 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -4.359 -7.404 11.044 1.00 0.00 H new ATOM 0 HZ PHE A 1 -4.794 -8.748 8.995 1.00 0.00 H new ATOM 20 N GLY A 2 1.063 -2.787 8.090 1.00 0.00 N ATOM 21 CA GLY A 2 1.854 -1.656 8.547 1.00 0.00 C ATOM 22 C GLY A 2 2.342 -0.806 7.388 1.00 0.00 C ATOM 23 O GLY A 2 1.628 -0.696 6.389 1.00 0.00 O ATOM 0 H GLY A 2 0.260 -2.511 7.525 1.00 0.00 H new ATOM 0 HA2 GLY A 2 1.256 -1.043 9.221 1.00 0.00 H new ATOM 0 HA3 GLY A 2 2.709 -2.017 9.118 1.00 0.00 H new ATOM 27 N LEU A 3 3.493 -0.137 7.558 1.00 0.00 N ATOM 28 CA LEU A 3 3.866 1.018 6.759 1.00 0.00 C ATOM 29 C LEU A 3 5.006 0.780 5.782 1.00 0.00 C ATOM 30 O LEU A 3 6.004 0.157 6.138 1.00 0.00 O ATOM 31 CB LEU A 3 4.060 2.277 7.624 1.00 0.00 C ATOM 32 CG LEU A 3 5.361 2.348 8.441 1.00 0.00 C ATOM 33 CD1 LEU A 3 5.601 3.806 8.854 1.00 0.00 C ATOM 34 CD2 LEU A 3 5.336 1.473 9.699 1.00 0.00 C ATOM 0 H LEU A 3 4.188 -0.391 8.260 1.00 0.00 H new ATOM 0 HA LEU A 3 3.010 1.203 6.111 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.017 3.150 6.972 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.219 2.352 8.313 1.00 0.00 H new ATOM 0 HG LEU A 3 6.162 1.970 7.807 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.521 3.873 9.435 1.00 0.00 H new ATOM 0 HD12 LEU A 3 5.689 4.427 7.962 1.00 0.00 H new ATOM 0 HD13 LEU A 3 4.764 4.155 9.459 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.284 1.570 10.228 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.523 1.794 10.350 1.00 0.00 H new ATOM 0 HD23 LEU A 3 5.184 0.432 9.415 1.00 0.00 H new ATOM 45 N ILE A 4 4.833 1.237 4.530 1.00 0.00 N ATOM 46 CA ILE A 4 5.648 0.852 3.421 1.00 0.00 C ATOM 47 C ILE A 4 5.866 2.153 2.640 1.00 0.00 C ATOM 48 O ILE A 4 5.028 3.055 2.725 1.00 0.00 O ATOM 49 CB ILE A 4 4.821 -0.238 2.698 1.00 0.00 C ATOM 50 CG1 ILE A 4 3.988 0.278 1.528 1.00 0.00 C ATOM 51 CG2 ILE A 4 3.836 -0.994 3.635 1.00 0.00 C ATOM 52 CD1 ILE A 4 4.264 -0.544 0.288 1.00 0.00 C ATOM 0 H ILE A 4 4.098 1.899 4.281 1.00 0.00 H new ATOM 0 HA ILE A 4 6.632 0.429 3.626 1.00 0.00 H new ATOM 0 HB ILE A 4 5.598 -0.909 2.333 1.00 0.00 H new ATOM 0 HG12 ILE A 4 2.928 0.229 1.777 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.223 1.325 1.339 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.290 -1.743 3.061 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.396 -1.484 4.432 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.131 -0.285 4.070 1.00 0.00 H new ATOM 0 HD11 ILE A 4 3.664 -0.166 -0.540 1.00 0.00 H new ATOM 0 HD12 ILE A 4 5.321 -0.473 0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.006 -1.586 0.477 1.00 0.00 H new ATOM 63 N ASP A 5 6.945 2.289 1.880 1.00 0.00 N ATOM 64 CA ASP A 5 7.293 3.577 1.267 1.00 0.00 C ATOM 65 C ASP A 5 7.404 3.451 -0.251 1.00 0.00 C ATOM 66 O ASP A 5 8.209 4.120 -0.897 1.00 0.00 O ATOM 67 CB ASP A 5 8.518 4.193 1.973 1.00 0.00 C ATOM 68 CG ASP A 5 8.166 5.458 2.763 1.00 0.00 C ATOM 69 OD1 ASP A 5 7.507 5.315 3.822 1.00 0.00 O ATOM 70 OD2 ASP A 5 8.494 6.564 2.273 1.00 0.00 O ATOM 0 H ASP A 5 7.595 1.531 1.670 1.00 0.00 H new ATOM 0 HA ASP A 5 6.486 4.294 1.419 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.953 3.456 2.648 1.00 0.00 H new ATOM 0 HB3 ASP A 5 9.279 4.432 1.230 1.00 0.00 H new ATOM 74 N VAL A 6 6.554 2.601 -0.835 1.00 0.00 N ATOM 75 CA VAL A 6 6.464 2.511 -2.291 1.00 0.00 C ATOM 76 C VAL A 6 5.656 3.698 -2.836 1.00 0.00 C ATOM 77 O VAL A 6 4.629 4.075 -2.270 1.00 0.00 O ATOM 78 CB VAL A 6 5.932 1.142 -2.753 1.00 0.00 C ATOM 79 CG1 VAL A 6 4.400 1.075 -2.781 1.00 0.00 C ATOM 80 CG2 VAL A 6 6.466 0.798 -4.148 1.00 0.00 C ATOM 0 H VAL A 6 5.928 1.975 -0.329 1.00 0.00 H new ATOM 0 HA VAL A 6 7.467 2.579 -2.713 1.00 0.00 H new ATOM 0 HB VAL A 6 6.288 0.418 -2.020 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.085 0.086 -3.114 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.009 1.262 -1.781 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.015 1.829 -3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.079 -0.173 -4.457 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.144 1.559 -4.859 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.555 0.763 -4.122 1.00 0.00 H new ATOM 90 N LYS A 7 6.140 4.288 -3.927 1.00 0.00 N ATOM 91 CA LYS A 7 5.568 5.474 -4.543 1.00 0.00 C ATOM 92 C LYS A 7 4.182 5.211 -5.124 1.00 0.00 C ATOM 93 O LYS A 7 4.059 4.776 -6.267 1.00 0.00 O ATOM 94 CB LYS A 7 6.532 6.013 -5.600 1.00 0.00 C ATOM 95 CG LYS A 7 7.749 6.647 -4.909 1.00 0.00 C ATOM 96 CD LYS A 7 9.014 6.435 -5.743 1.00 0.00 C ATOM 97 CE LYS A 7 8.922 7.119 -7.116 1.00 0.00 C ATOM 98 NZ LYS A 7 10.135 6.896 -7.926 1.00 0.00 N ATOM 0 H LYS A 7 6.964 3.941 -4.417 1.00 0.00 H new ATOM 0 HA LYS A 7 5.430 6.231 -3.771 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.854 5.206 -6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.029 6.752 -6.223 1.00 0.00 H new ATOM 0 HG2 LYS A 7 7.577 7.714 -4.764 1.00 0.00 H new ATOM 0 HG3 LYS A 7 7.881 6.209 -3.920 1.00 0.00 H new ATOM 0 HD2 LYS A 7 9.875 6.826 -5.201 1.00 0.00 H new ATOM 0 HD3 LYS A 7 9.182 5.367 -5.881 1.00 0.00 H new ATOM 0 HE2 LYS A 7 8.053 6.739 -7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 7 8.769 8.189 -6.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 10.032 7.374 -8.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 10.962 7.281 -7.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 10.267 5.876 -8.080 1.00 0.00 H new ATOM 108 N CYS A 8 3.154 5.534 -4.339 1.00 0.00 N ATOM 109 CA CYS A 8 1.769 5.409 -4.785 1.00 0.00 C ATOM 110 C CYS A 8 1.502 6.310 -5.979 1.00 0.00 C ATOM 111 O CYS A 8 1.799 7.505 -5.943 1.00 0.00 O ATOM 112 CB CYS A 8 0.743 5.683 -3.710 1.00 0.00 C ATOM 113 SG CYS A 8 0.206 7.378 -3.334 1.00 0.00 S ATOM 0 H CYS A 8 3.257 5.886 -3.387 1.00 0.00 H new ATOM 0 HA CYS A 8 1.655 4.362 -5.066 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.151 5.116 -3.971 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.131 5.259 -2.784 1.00 0.00 H new ATOM 117 N PHE A 9 0.889 5.714 -6.993 1.00 0.00 N ATOM 118 CA PHE A 9 0.083 6.373 -7.993 1.00 0.00 C ATOM 119 C PHE A 9 -1.365 6.444 -7.491 1.00 0.00 C ATOM 120 O PHE A 9 -2.101 7.340 -7.893 1.00 0.00 O ATOM 121 CB PHE A 9 0.184 5.592 -9.310 1.00 0.00 C ATOM 122 CG PHE A 9 1.573 5.611 -9.928 1.00 0.00 C ATOM 123 CD1 PHE A 9 2.567 4.725 -9.471 1.00 0.00 C ATOM 124 CD2 PHE A 9 1.891 6.554 -10.924 1.00 0.00 C ATOM 125 CE1 PHE A 9 3.867 4.780 -10.003 1.00 0.00 C ATOM 126 CE2 PHE A 9 3.186 6.598 -11.470 1.00 0.00 C ATOM 127 CZ PHE A 9 4.174 5.709 -11.011 1.00 0.00 C ATOM 0 H PHE A 9 0.948 4.707 -7.141 1.00 0.00 H new ATOM 0 HA PHE A 9 0.436 7.389 -8.172 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.111 4.558 -9.132 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -0.527 6.008 -10.024 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.329 3.999 -8.707 1.00 0.00 H new ATOM 0 HD2 PHE A 9 1.137 7.246 -11.270 1.00 0.00 H new ATOM 0 HE1 PHE A 9 4.629 4.108 -9.637 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.422 7.315 -12.242 1.00 0.00 H new ATOM 0 HZ PHE A 9 5.168 5.740 -11.433 1.00 0.00 H new ATOM 136 N ALA A 10 -1.783 5.511 -6.618 1.00 0.00 N ATOM 137 CA ALA A 10 -3.132 5.474 -6.061 1.00 0.00 C ATOM 138 C ALA A 10 -3.172 4.526 -4.863 1.00 0.00 C ATOM 139 O ALA A 10 -2.322 3.649 -4.739 1.00 0.00 O ATOM 140 CB ALA A 10 -4.130 5.003 -7.127 1.00 0.00 C ATOM 0 H ALA A 10 -1.183 4.758 -6.281 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.407 6.477 -5.736 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.133 4.979 -6.701 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.111 5.691 -7.972 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -3.856 4.004 -7.466 1.00 0.00 H new ATOM 146 N SER A 11 -4.176 4.660 -3.996 1.00 0.00 N ATOM 147 CA SER A 11 -4.418 3.749 -2.885 1.00 0.00 C ATOM 148 C SER A 11 -4.619 2.319 -3.372 1.00 0.00 C ATOM 149 O SER A 11 -4.128 1.374 -2.758 1.00 0.00 O ATOM 150 CB SER A 11 -5.677 4.234 -2.155 1.00 0.00 C ATOM 151 OG SER A 11 -6.601 4.768 -3.090 1.00 0.00 O ATOM 0 H SER A 11 -4.854 5.420 -4.050 1.00 0.00 H new ATOM 0 HA SER A 11 -3.555 3.746 -2.220 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.134 3.407 -1.611 1.00 0.00 H new ATOM 0 HB3 SER A 11 -5.412 4.993 -1.419 1.00 0.00 H new ATOM 0 HG SER A 11 -7.404 5.074 -2.618 1.00 0.00 H new ATOM 156 N SER A 12 -5.353 2.151 -4.467 1.00 0.00 N ATOM 157 CA SER A 12 -5.653 0.844 -5.019 1.00 0.00 C ATOM 158 C SER A 12 -4.378 0.080 -5.389 1.00 0.00 C ATOM 159 O SER A 12 -4.363 -1.147 -5.381 1.00 0.00 O ATOM 160 CB SER A 12 -6.597 1.037 -6.212 1.00 0.00 C ATOM 161 OG SER A 12 -6.359 2.308 -6.800 1.00 0.00 O ATOM 0 H SER A 12 -5.756 2.924 -4.996 1.00 0.00 H new ATOM 0 HA SER A 12 -6.149 0.225 -4.271 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.438 0.248 -6.947 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.634 0.964 -5.885 1.00 0.00 H new ATOM 0 HG SER A 12 -6.960 2.433 -7.564 1.00 0.00 H new ATOM 166 N GLU A 13 -3.285 0.792 -5.661 1.00 0.00 N ATOM 167 CA GLU A 13 -1.985 0.184 -5.866 1.00 0.00 C ATOM 168 C GLU A 13 -1.518 -0.554 -4.616 1.00 0.00 C ATOM 169 O GLU A 13 -0.966 -1.640 -4.696 1.00 0.00 O ATOM 170 CB GLU A 13 -0.991 1.305 -6.069 1.00 0.00 C ATOM 171 CG GLU A 13 0.338 0.784 -6.622 1.00 0.00 C ATOM 172 CD GLU A 13 1.358 1.904 -6.687 1.00 0.00 C ATOM 173 OE1 GLU A 13 0.911 3.036 -6.968 1.00 0.00 O ATOM 174 OE2 GLU A 13 2.546 1.608 -6.439 1.00 0.00 O ATOM 0 H GLU A 13 -3.283 1.809 -5.744 1.00 0.00 H new ATOM 0 HA GLU A 13 -2.053 -0.505 -6.708 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.408 2.042 -6.755 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.817 1.814 -5.121 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.712 -0.021 -5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.186 0.364 -7.616 1.00 0.00 H new ATOM 179 N CYS A 14 -1.680 0.076 -3.450 1.00 0.00 N ATOM 180 CA CYS A 14 -1.256 -0.414 -2.165 1.00 0.00 C ATOM 181 C CYS A 14 -1.940 -1.729 -1.895 1.00 0.00 C ATOM 182 O CYS A 14 -1.430 -2.565 -1.157 1.00 0.00 O ATOM 183 CB CYS A 14 -1.712 0.546 -1.076 1.00 0.00 C ATOM 184 SG CYS A 14 -1.355 2.273 -1.308 1.00 0.00 S ATOM 0 H CYS A 14 -2.135 0.987 -3.389 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.171 -0.516 -2.167 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.790 0.437 -0.961 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.257 0.231 -0.137 1.00 0.00 H new ATOM 188 N TRP A 15 -3.124 -1.882 -2.490 1.00 0.00 N ATOM 189 CA TRP A 15 -3.879 -3.109 -2.334 1.00 0.00 C ATOM 190 C TRP A 15 -3.085 -4.224 -3.010 1.00 0.00 C ATOM 191 O TRP A 15 -2.523 -5.093 -2.342 1.00 0.00 O ATOM 192 CB TRP A 15 -5.293 -2.972 -2.907 1.00 0.00 C ATOM 193 CG TRP A 15 -6.197 -1.944 -2.313 1.00 0.00 C ATOM 194 CD1 TRP A 15 -5.879 -1.086 -1.325 1.00 0.00 C ATOM 195 CD2 TRP A 15 -7.575 -1.633 -2.677 1.00 0.00 C ATOM 196 NE1 TRP A 15 -6.961 -0.287 -1.035 1.00 0.00 N ATOM 197 CE2 TRP A 15 -8.036 -0.571 -1.849 1.00 0.00 C ATOM 198 CE3 TRP A 15 -8.476 -2.143 -3.631 1.00 0.00 C ATOM 199 CZ2 TRP A 15 -9.331 -0.045 -1.954 1.00 0.00 C ATOM 200 CZ3 TRP A 15 -9.776 -1.617 -3.753 1.00 0.00 C ATOM 201 CH2 TRP A 15 -10.206 -0.572 -2.917 1.00 0.00 C ATOM 0 H TRP A 15 -3.570 -1.176 -3.076 1.00 0.00 H new ATOM 0 HA TRP A 15 -4.014 -3.344 -1.278 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -5.202 -2.760 -3.972 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -5.785 -3.941 -2.816 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.919 -1.033 -0.834 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -6.967 0.428 -0.307 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -8.165 -2.949 -4.279 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -9.651 0.755 -1.303 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -10.449 -2.020 -4.495 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -11.206 -0.176 -3.015 1.00 0.00 H new ATOM 211 N THR A 16 -2.970 -4.165 -4.337 1.00 0.00 N ATOM 212 CA THR A 16 -2.166 -5.082 -5.121 1.00 0.00 C ATOM 213 C THR A 16 -0.724 -5.151 -4.604 1.00 0.00 C ATOM 214 O THR A 16 -0.096 -6.200 -4.733 1.00 0.00 O ATOM 215 CB THR A 16 -2.246 -4.647 -6.594 1.00 0.00 C ATOM 216 OG1 THR A 16 -2.365 -3.242 -6.658 1.00 0.00 O ATOM 217 CG2 THR A 16 -3.484 -5.242 -7.269 1.00 0.00 C ATOM 0 H THR A 16 -3.446 -3.461 -4.902 1.00 0.00 H new ATOM 0 HA THR A 16 -2.555 -6.096 -5.028 1.00 0.00 H new ATOM 0 HB THR A 16 -1.345 -4.994 -7.099 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.756 -2.832 -6.008 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.520 -4.921 -8.310 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.434 -6.330 -7.226 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.380 -4.899 -6.752 1.00 0.00 H new ATOM 225 N ALA A 17 -0.193 -4.090 -3.988 1.00 0.00 N ATOM 226 CA ALA A 17 1.128 -4.142 -3.384 1.00 0.00 C ATOM 227 C ALA A 17 1.136 -5.123 -2.218 1.00 0.00 C ATOM 228 O ALA A 17 1.928 -6.063 -2.199 1.00 0.00 O ATOM 229 CB ALA A 17 1.610 -2.749 -2.960 1.00 0.00 C ATOM 0 H ALA A 17 -0.663 -3.189 -3.898 1.00 0.00 H new ATOM 0 HA ALA A 17 1.833 -4.501 -4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.601 -2.827 -2.513 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.657 -2.099 -3.833 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.915 -2.330 -2.232 1.00 0.00 H new ATOM 235 N CYS A 18 0.241 -4.921 -1.253 1.00 0.00 N ATOM 236 CA CYS A 18 0.166 -5.786 -0.089 1.00 0.00 C ATOM 237 C CYS A 18 -0.149 -7.208 -0.506 1.00 0.00 C ATOM 238 O CYS A 18 0.321 -8.159 0.116 1.00 0.00 O ATOM 239 CB CYS A 18 -0.877 -5.300 0.913 1.00 0.00 C ATOM 240 SG CYS A 18 -0.351 -5.693 2.600 1.00 0.00 S ATOM 0 H CYS A 18 -0.441 -4.163 -1.259 1.00 0.00 H new ATOM 0 HA CYS A 18 1.141 -5.758 0.398 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -1.018 -4.224 0.809 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.839 -5.769 0.705 1.00 0.00 H new ATOM 244 N LYS A 19 -0.928 -7.360 -1.579 1.00 0.00 N ATOM 245 CA LYS A 19 -1.210 -8.654 -2.141 1.00 0.00 C ATOM 246 C LYS A 19 0.063 -9.309 -2.659 1.00 0.00 C ATOM 247 O LYS A 19 0.448 -10.385 -2.216 1.00 0.00 O ATOM 248 CB LYS A 19 -2.233 -8.489 -3.261 1.00 0.00 C ATOM 249 CG LYS A 19 -3.588 -8.165 -2.679 1.00 0.00 C ATOM 250 CD LYS A 19 -4.827 -8.593 -3.480 1.00 0.00 C ATOM 251 CE LYS A 19 -4.924 -8.054 -4.914 1.00 0.00 C ATOM 252 NZ LYS A 19 -4.031 -8.770 -5.851 1.00 0.00 N ATOM 0 H LYS A 19 -1.373 -6.585 -2.071 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.618 -9.306 -1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.919 -7.694 -3.937 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.290 -9.404 -3.850 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.649 -8.626 -1.693 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.640 -7.087 -2.530 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.850 -9.682 -3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.715 -8.276 -2.934 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -5.954 -8.139 -5.262 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.673 -6.993 -4.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -4.417 -8.707 -6.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -3.085 -8.338 -5.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -3.962 -9.769 -5.570 1.00 0.00 H new ATOM 262 N LYS A 20 0.708 -8.671 -3.632 1.00 0.00 N ATOM 263 CA LYS A 20 1.863 -9.218 -4.295 1.00 0.00 C ATOM 264 C LYS A 20 3.017 -9.499 -3.323 1.00 0.00 C ATOM 265 O LYS A 20 3.782 -10.430 -3.550 1.00 0.00 O ATOM 266 CB LYS A 20 2.214 -8.324 -5.489 1.00 0.00 C ATOM 267 CG LYS A 20 3.198 -7.176 -5.227 1.00 0.00 C ATOM 268 CD LYS A 20 3.372 -6.351 -6.513 1.00 0.00 C ATOM 269 CE LYS A 20 4.471 -5.278 -6.424 1.00 0.00 C ATOM 270 NZ LYS A 20 4.129 -4.170 -5.508 1.00 0.00 N ATOM 0 H LYS A 20 0.432 -7.752 -3.977 1.00 0.00 H new ATOM 0 HA LYS A 20 1.636 -10.207 -4.694 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.629 -8.955 -6.275 1.00 0.00 H new ATOM 0 HB3 LYS A 20 1.289 -7.897 -5.877 1.00 0.00 H new ATOM 0 HG2 LYS A 20 2.828 -6.541 -4.422 1.00 0.00 H new ATOM 0 HG3 LYS A 20 4.160 -7.573 -4.903 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.603 -7.026 -7.337 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.425 -5.868 -6.753 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.398 -5.744 -6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.657 -4.874 -7.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.907 -3.481 -5.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.260 -3.703 -5.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.978 -4.546 -4.550 1.00 0.00 H new ATOM 280 N VAL A 21 3.152 -8.715 -2.248 1.00 0.00 N ATOM 281 CA VAL A 21 4.132 -8.911 -1.227 1.00 0.00 C ATOM 282 C VAL A 21 3.676 -10.010 -0.276 1.00 0.00 C ATOM 283 O VAL A 21 4.423 -10.956 -0.042 1.00 0.00 O ATOM 284 CB VAL A 21 4.193 -7.561 -0.519 1.00 0.00 C ATOM 285 CG1 VAL A 21 4.979 -7.630 0.756 1.00 0.00 C ATOM 286 CG2 VAL A 21 4.855 -6.520 -1.418 1.00 0.00 C ATOM 0 H VAL A 21 2.553 -7.907 -2.079 1.00 0.00 H new ATOM 0 HA VAL A 21 5.104 -9.220 -1.611 1.00 0.00 H new ATOM 0 HB VAL A 21 3.164 -7.282 -0.292 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.996 -6.647 1.226 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.514 -8.348 1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.999 -7.946 0.538 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.891 -5.562 -0.900 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.868 -6.840 -1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.279 -6.414 -2.337 1.00 0.00 H new ATOM 296 N THR A 22 2.494 -9.833 0.337 1.00 0.00 N ATOM 297 CA THR A 22 2.100 -10.587 1.516 1.00 0.00 C ATOM 298 C THR A 22 0.620 -11.001 1.520 1.00 0.00 C ATOM 299 O THR A 22 0.029 -11.155 2.593 1.00 0.00 O ATOM 300 CB THR A 22 2.497 -9.835 2.801 1.00 0.00 C ATOM 301 OG1 THR A 22 2.251 -10.614 3.955 1.00 0.00 O ATOM 302 CG2 THR A 22 1.807 -8.476 2.956 1.00 0.00 C ATOM 0 H THR A 22 1.793 -9.162 0.022 1.00 0.00 H new ATOM 0 HA THR A 22 2.653 -11.526 1.483 1.00 0.00 H new ATOM 0 HB THR A 22 3.567 -9.651 2.700 1.00 0.00 H new ATOM 0 HG1 THR A 22 1.353 -11.002 3.902 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.135 -8.005 3.883 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.068 -7.837 2.112 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.727 -8.618 2.983 1.00 0.00 H new ATOM 310 N GLY A 23 -0.024 -11.130 0.358 1.00 0.00 N ATOM 311 CA GLY A 23 -1.412 -11.573 0.224 1.00 0.00 C ATOM 312 C GLY A 23 -2.468 -10.592 0.759 1.00 0.00 C ATOM 313 O GLY A 23 -3.622 -10.622 0.332 1.00 0.00 O ATOM 0 H GLY A 23 0.417 -10.924 -0.538 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.616 -11.762 -0.830 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.525 -12.523 0.746 1.00 0.00 H new ATOM 317 N SER A 24 -2.103 -9.718 1.694 1.00 0.00 N ATOM 318 CA SER A 24 -3.038 -9.106 2.632 1.00 0.00 C ATOM 319 C SER A 24 -3.639 -7.836 2.039 1.00 0.00 C ATOM 320 O SER A 24 -3.390 -6.745 2.532 1.00 0.00 O ATOM 321 CB SER A 24 -2.305 -8.836 3.946 1.00 0.00 C ATOM 322 OG SER A 24 -1.776 -10.045 4.459 1.00 0.00 O ATOM 0 H SER A 24 -1.138 -9.412 1.822 1.00 0.00 H new ATOM 0 HA SER A 24 -3.870 -9.782 2.829 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.502 -8.117 3.784 1.00 0.00 H new ATOM 0 HB3 SER A 24 -2.989 -8.392 4.669 1.00 0.00 H new ATOM 0 HG SER A 24 -1.081 -10.381 3.855 1.00 0.00 H new ATOM 327 N GLY A 25 -4.409 -7.982 0.964 1.00 0.00 N ATOM 328 CA GLY A 25 -4.633 -6.934 -0.025 1.00 0.00 C ATOM 329 C GLY A 25 -5.407 -5.666 0.374 1.00 0.00 C ATOM 330 O GLY A 25 -5.977 -5.036 -0.512 1.00 0.00 O ATOM 0 H GLY A 25 -4.904 -8.849 0.753 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.657 -6.618 -0.392 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.159 -7.386 -0.866 1.00 0.00 H new ATOM 334 N GLN A 26 -5.473 -5.280 1.651 1.00 0.00 N ATOM 335 CA GLN A 26 -6.260 -4.160 2.140 1.00 0.00 C ATOM 336 C GLN A 26 -5.327 -3.042 2.617 1.00 0.00 C ATOM 337 O GLN A 26 -4.514 -3.270 3.510 1.00 0.00 O ATOM 338 CB GLN A 26 -7.135 -4.660 3.291 1.00 0.00 C ATOM 339 CG GLN A 26 -7.957 -5.864 2.829 1.00 0.00 C ATOM 340 CD GLN A 26 -9.040 -6.229 3.837 1.00 0.00 C ATOM 341 OE1 GLN A 26 -10.194 -5.850 3.678 1.00 0.00 O ATOM 342 NE2 GLN A 26 -8.678 -6.967 4.886 1.00 0.00 N ATOM 0 H GLN A 26 -4.961 -5.758 2.392 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.891 -3.759 1.347 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.511 -4.938 4.140 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.798 -3.863 3.629 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.417 -5.643 1.866 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.297 -6.719 2.679 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -7.708 -7.266 4.989 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -9.371 -7.233 5.586 1.00 0.00 H new ATOM 349 N GLY A 27 -5.433 -1.833 2.056 1.00 0.00 N ATOM 350 CA GLY A 27 -4.546 -0.741 2.426 1.00 0.00 C ATOM 351 C GLY A 27 -4.998 0.584 1.826 1.00 0.00 C ATOM 352 O GLY A 27 -6.119 0.694 1.332 1.00 0.00 O ATOM 0 H GLY A 27 -6.125 -1.593 1.346 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.510 -0.654 3.512 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.534 -0.965 2.090 1.00 0.00 H new ATOM 356 N LYS A 28 -4.125 1.591 1.853 1.00 0.00 N ATOM 357 CA LYS A 28 -4.335 2.890 1.229 1.00 0.00 C ATOM 358 C LYS A 28 -2.988 3.579 1.079 1.00 0.00 C ATOM 359 O LYS A 28 -2.049 3.263 1.809 1.00 0.00 O ATOM 360 CB LYS A 28 -5.346 3.745 2.020 1.00 0.00 C ATOM 361 CG LYS A 28 -5.085 3.880 3.537 1.00 0.00 C ATOM 362 CD LYS A 28 -4.018 4.894 3.990 1.00 0.00 C ATOM 363 CE LYS A 28 -4.519 6.343 4.134 1.00 0.00 C ATOM 364 NZ LYS A 28 -4.839 6.980 2.842 1.00 0.00 N ATOM 0 H LYS A 28 -3.224 1.519 2.326 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.774 2.754 0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.364 4.744 1.585 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.339 3.318 1.880 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.027 4.146 4.017 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.799 2.899 3.917 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.612 4.569 4.948 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -3.196 4.879 3.274 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.407 6.352 4.766 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.759 6.934 4.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.889 8.011 2.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.098 6.750 2.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.755 6.628 2.499 1.00 0.00 H new ATOM 374 N CYS A 29 -2.899 4.501 0.116 1.00 0.00 N ATOM 375 CA CYS A 29 -1.665 5.215 -0.158 1.00 0.00 C ATOM 376 C CYS A 29 -1.649 6.500 0.672 1.00 0.00 C ATOM 377 O CYS A 29 -2.675 6.888 1.239 1.00 0.00 O ATOM 378 CB CYS A 29 -1.422 5.488 -1.648 1.00 0.00 C ATOM 379 SG CYS A 29 -1.640 7.122 -2.369 1.00 0.00 S ATOM 0 H CYS A 29 -3.678 4.766 -0.487 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.834 4.573 0.135 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.396 5.186 -1.859 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.073 4.811 -2.201 1.00 0.00 H new ATOM 383 N GLN A 30 -0.490 7.143 0.775 1.00 0.00 N ATOM 384 CA GLN A 30 -0.264 8.363 1.526 1.00 0.00 C ATOM 385 C GLN A 30 0.832 9.103 0.772 1.00 0.00 C ATOM 386 O GLN A 30 1.897 8.531 0.609 1.00 0.00 O ATOM 387 CB GLN A 30 0.231 7.975 2.930 1.00 0.00 C ATOM 388 CG GLN A 30 0.287 9.155 3.905 1.00 0.00 C ATOM 389 CD GLN A 30 0.653 8.692 5.318 1.00 0.00 C ATOM 390 OE1 GLN A 30 1.431 7.760 5.503 1.00 0.00 O ATOM 391 NE2 GLN A 30 0.086 9.332 6.335 1.00 0.00 N ATOM 0 H GLN A 30 0.355 6.807 0.313 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.159 8.977 1.628 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.425 7.207 3.339 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.225 7.534 2.848 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.020 9.883 3.557 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.679 9.660 3.924 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -0.557 10.103 6.157 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.294 9.052 7.293 1.00 0.00 H new ATOM 398 N ASN A 31 0.607 10.333 0.310 1.00 0.00 N ATOM 399 CA ASN A 31 1.607 11.123 -0.398 1.00 0.00 C ATOM 400 C ASN A 31 2.088 10.359 -1.635 1.00 0.00 C ATOM 401 O ASN A 31 1.430 10.399 -2.671 1.00 0.00 O ATOM 402 CB ASN A 31 2.738 11.528 0.569 1.00 0.00 C ATOM 403 CG ASN A 31 2.407 12.827 1.297 1.00 0.00 C ATOM 404 OD1 ASN A 31 2.802 13.904 0.868 1.00 0.00 O ATOM 405 ND2 ASN A 31 1.672 12.751 2.404 1.00 0.00 N ATOM 0 H ASN A 31 -0.287 10.812 0.420 1.00 0.00 H new ATOM 0 HA ASN A 31 1.174 12.054 -0.763 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.900 10.732 1.296 1.00 0.00 H new ATOM 0 HB3 ASN A 31 3.669 11.647 0.014 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.427 13.600 2.913 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.354 11.843 2.743 1.00 0.00 H new ATOM 411 N ASN A 32 3.196 9.630 -1.501 1.00 0.00 N ATOM 412 CA ASN A 32 3.676 8.599 -2.421 1.00 0.00 C ATOM 413 C ASN A 32 4.384 7.546 -1.577 1.00 0.00 C ATOM 414 O ASN A 32 5.580 7.304 -1.699 1.00 0.00 O ATOM 415 CB ASN A 32 4.572 9.145 -3.538 1.00 0.00 C ATOM 416 CG ASN A 32 3.962 10.277 -4.287 1.00 0.00 C ATOM 417 OD1 ASN A 32 4.284 11.447 -4.092 1.00 0.00 O ATOM 418 ND2 ASN A 32 3.008 9.938 -5.102 1.00 0.00 N ATOM 0 H ASN A 32 3.818 9.750 -0.702 1.00 0.00 H new ATOM 0 HA ASN A 32 2.830 8.165 -2.954 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.518 9.473 -3.107 1.00 0.00 H new ATOM 0 HB3 ASN A 32 4.801 8.340 -4.236 1.00 0.00 H new ATOM 0 HD21 ASN A 32 2.493 10.656 -5.611 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.775 8.954 -5.233 1.00 0.00 H new ATOM 424 N GLN A 33 3.595 6.957 -0.693 1.00 0.00 N ATOM 425 CA GLN A 33 3.891 5.891 0.237 1.00 0.00 C ATOM 426 C GLN A 33 2.595 5.098 0.356 1.00 0.00 C ATOM 427 O GLN A 33 1.570 5.540 -0.158 1.00 0.00 O ATOM 428 CB GLN A 33 4.235 6.486 1.604 1.00 0.00 C ATOM 429 CG GLN A 33 5.657 7.021 1.686 1.00 0.00 C ATOM 430 CD GLN A 33 5.928 8.437 1.221 1.00 0.00 C ATOM 431 OE1 GLN A 33 5.040 9.190 0.817 1.00 0.00 O ATOM 432 NE2 GLN A 33 7.204 8.796 1.315 1.00 0.00 N ATOM 0 H GLN A 33 2.623 7.252 -0.604 1.00 0.00 H new ATOM 0 HA GLN A 33 4.730 5.279 -0.094 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.537 7.293 1.828 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.096 5.723 2.370 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.979 6.947 2.725 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.295 6.354 1.106 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.897 8.130 1.657 1.00 0.00 H new ATOM 0 HE22 GLN A 33 7.490 9.737 1.046 1.00 0.00 H new ATOM 439 N CYS A 34 2.590 3.962 1.056 1.00 0.00 N ATOM 440 CA CYS A 34 1.415 3.125 1.151 1.00 0.00 C ATOM 441 C CYS A 34 1.452 2.403 2.478 1.00 0.00 C ATOM 442 O CYS A 34 2.521 2.293 3.074 1.00 0.00 O ATOM 443 CB CYS A 34 1.426 2.136 -0.012 1.00 0.00 C ATOM 444 SG CYS A 34 0.669 2.424 -1.625 1.00 0.00 S ATOM 0 H CYS A 34 3.399 3.607 1.566 1.00 0.00 H new ATOM 0 HA CYS A 34 0.501 3.717 1.096 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.476 1.918 -0.209 1.00 0.00 H new ATOM 0 HB3 CYS A 34 0.976 1.220 0.370 1.00 0.00 H new ATOM 448 N ARG A 35 0.288 1.970 2.960 1.00 0.00 N ATOM 449 CA ARG A 35 0.120 1.370 4.271 1.00 0.00 C ATOM 450 C ARG A 35 -0.998 0.341 4.206 1.00 0.00 C ATOM 451 O ARG A 35 -1.948 0.527 3.447 1.00 0.00 O ATOM 452 CB ARG A 35 -0.129 2.490 5.301 1.00 0.00 C ATOM 453 CG ARG A 35 1.220 3.032 5.783 1.00 0.00 C ATOM 454 CD ARG A 35 1.562 4.518 5.556 1.00 0.00 C ATOM 455 NE ARG A 35 2.808 4.604 4.764 1.00 0.00 N ATOM 456 CZ ARG A 35 3.899 5.342 5.043 1.00 0.00 C ATOM 457 NH1 ARG A 35 3.794 6.474 5.738 1.00 0.00 N ATOM 458 NH2 ARG A 35 5.087 4.918 4.605 1.00 0.00 N ATOM 0 H ARG A 35 -0.582 2.031 2.432 1.00 0.00 H new ATOM 0 HA ARG A 35 1.016 0.838 4.590 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.718 3.290 4.852 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.703 2.106 6.144 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.286 2.841 6.854 1.00 0.00 H new ATOM 0 HG3 ARG A 35 2.000 2.440 5.305 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.747 5.017 5.033 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.686 5.027 6.512 1.00 0.00 H new ATOM 0 HE ARG A 35 2.845 4.043 3.913 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.880 6.789 6.064 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.627 7.025 5.944 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.154 4.051 4.071 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.927 5.461 4.804 1.00 0.00 H new ATOM 469 N CYS A 36 -0.836 -0.766 4.940 1.00 0.00 N ATOM 470 CA CYS A 36 -1.624 -1.979 4.751 1.00 0.00 C ATOM 471 C CYS A 36 -2.160 -2.480 6.087 1.00 0.00 C ATOM 472 O CYS A 36 -1.530 -2.261 7.120 1.00 0.00 O ATOM 473 CB CYS A 36 -0.781 -3.039 4.045 1.00 0.00 C ATOM 474 SG CYS A 36 -1.637 -4.613 3.818 1.00 0.00 S ATOM 0 H CYS A 36 -0.146 -0.841 5.688 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.484 -1.757 4.119 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.475 -2.658 3.071 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.129 -3.210 4.620 1.00 0.00 H new ATOM 478 N TYR A 37 -3.338 -3.105 6.067 1.00 0.00 N ATOM 479 CA TYR A 37 -4.142 -3.447 7.230 1.00 0.00 C ATOM 480 C TYR A 37 -4.639 -4.887 7.108 1.00 0.00 C ATOM 481 O TYR A 37 -4.803 -5.402 6.001 1.00 0.00 O ATOM 482 CB TYR A 37 -5.309 -2.454 7.291 1.00 0.00 C ATOM 483 CG TYR A 37 -6.319 -2.717 8.388 1.00 0.00 C ATOM 484 CD1 TYR A 37 -6.053 -2.300 9.705 1.00 0.00 C ATOM 485 CD2 TYR A 37 -7.549 -3.328 8.081 1.00 0.00 C ATOM 486 CE1 TYR A 37 -7.022 -2.475 10.708 1.00 0.00 C ATOM 487 CE2 TYR A 37 -8.513 -3.507 9.087 1.00 0.00 C ATOM 488 CZ TYR A 37 -8.257 -3.071 10.396 1.00 0.00 C ATOM 489 OH TYR A 37 -9.210 -3.219 11.357 1.00 0.00 O ATOM 0 H TYR A 37 -3.775 -3.399 5.193 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.558 -3.382 8.148 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -4.905 -1.450 7.423 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.826 -2.466 6.332 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.103 -1.845 9.946 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.752 -3.659 7.073 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -6.818 -2.152 11.718 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -9.454 -3.982 8.852 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.001 -3.648 10.970 1.00 0.00 H new TER 498 TYR A 37