USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 257 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 11 MET CE :methyl -154:sc= -0.2 (180deg=-1.46!) USER MOD Set 1.2: A 14 GLN : amide:sc= -3.55! K(o=-3.8!,f=-2.2) USER MOD Single : A 1 VAL N :NH3+ 133:sc= 0.0366 (180deg=-0.392) USER MOD Single : A 6 ASN : amide:sc= -2.98 K(o=-3,f=-1.7) USER MOD Single : A 8 HIS : no HD1:sc=-0.00525 X(o=-0.0053,f=-0.0011) USER MOD Single : A 13 GLN : amide:sc= -4.65! C(o=-4.6!,f=-5.3!) USER MOD Single : A 17 HIS : no HD1:sc= -3.47! C(o=-3.5!,f=-3.2!) USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= -0.109 USER MOD Single : A 23 LYS NZ :NH3+ -174:sc= -1.15 (180deg=-1.42!) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -173:sc= -0.988 (180deg=-1.1) USER MOD Single : A 27 HIS : no HD1:sc= -0.611 X(o=-0.61,f=-0.14) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -149:sc= -0.358 (180deg=-1.57!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -0.762 12.415 2.496 1.00 1.00 N ATOM 2 CA VAL A 1 -1.402 11.419 3.403 1.00 1.00 C ATOM 3 C VAL A 1 -1.008 10.004 2.972 1.00 1.00 C ATOM 4 O VAL A 1 -0.765 9.745 1.811 1.00 1.00 O ATOM 5 CB VAL A 1 -2.926 11.560 3.335 1.00 1.00 C ATOM 6 CG1 VAL A 1 -3.412 11.197 1.928 1.00 1.00 C ATOM 7 CG2 VAL A 1 -3.567 10.612 4.352 1.00 1.00 C ATOM 0 H1 VAL A 1 -1.469 13.117 2.197 1.00 1.00 H new ATOM 0 H2 VAL A 1 0.012 12.895 2.998 1.00 1.00 H new ATOM 0 H3 VAL A 1 -0.382 11.928 1.659 1.00 1.00 H new ATOM 0 HA VAL A 1 -1.065 11.599 4.424 1.00 1.00 H new ATOM 0 HB VAL A 1 -3.207 12.588 3.562 1.00 1.00 H new ATOM 0 HG11 VAL A 1 -4.496 11.298 1.880 1.00 1.00 H new ATOM 0 HG12 VAL A 1 -2.953 11.867 1.201 1.00 1.00 H new ATOM 0 HG13 VAL A 1 -3.133 10.168 1.701 1.00 1.00 H new ATOM 0 HG21 VAL A 1 -4.652 10.709 4.307 1.00 1.00 H new ATOM 0 HG22 VAL A 1 -3.285 9.585 4.120 1.00 1.00 H new ATOM 0 HG23 VAL A 1 -3.221 10.866 5.354 1.00 1.00 H new ATOM 16 N CYS A 2 -0.952 9.086 3.899 1.00 1.00 N ATOM 17 CA CYS A 2 -0.581 7.687 3.540 1.00 1.00 C ATOM 18 C CYS A 2 -1.632 6.728 4.110 1.00 1.00 C ATOM 19 O CYS A 2 -1.925 6.749 5.288 1.00 1.00 O ATOM 20 CB CYS A 2 0.791 7.363 4.137 1.00 1.00 C ATOM 21 SG CYS A 2 0.638 7.128 5.925 1.00 1.00 S ATOM 0 H CYS A 2 -1.147 9.244 4.888 1.00 1.00 H new ATOM 0 HA CYS A 2 -0.540 7.578 2.456 1.00 1.00 H new ATOM 0 HB2 CYS A 2 1.196 6.462 3.675 1.00 1.00 H new ATOM 0 HB3 CYS A 2 1.491 8.172 3.925 1.00 1.00 H new ATOM 26 N GLU A 3 -2.204 5.889 3.287 1.00 1.00 N ATOM 27 CA GLU A 3 -3.237 4.942 3.797 1.00 1.00 C ATOM 28 C GLU A 3 -3.457 3.810 2.793 1.00 1.00 C ATOM 29 O GLU A 3 -3.149 3.929 1.625 1.00 1.00 O ATOM 30 CB GLU A 3 -4.553 5.694 4.018 1.00 1.00 C ATOM 31 CG GLU A 3 -5.266 5.882 2.677 1.00 1.00 C ATOM 32 CD GLU A 3 -6.454 6.827 2.856 1.00 1.00 C ATOM 33 OE1 GLU A 3 -6.665 7.282 3.967 1.00 1.00 O ATOM 34 OE2 GLU A 3 -7.137 7.078 1.876 1.00 1.00 O ATOM 0 H GLU A 3 -2.002 5.819 2.290 1.00 1.00 H new ATOM 0 HA GLU A 3 -2.894 4.516 4.740 1.00 1.00 H new ATOM 0 HB2 GLU A 3 -5.190 5.138 4.706 1.00 1.00 H new ATOM 0 HB3 GLU A 3 -4.358 6.663 4.477 1.00 1.00 H new ATOM 0 HG2 GLU A 3 -4.574 6.288 1.939 1.00 1.00 H new ATOM 0 HG3 GLU A 3 -5.608 4.919 2.297 1.00 1.00 H new ATOM 41 N ASP A 4 -3.996 2.713 3.244 1.00 1.00 N ATOM 42 CA ASP A 4 -4.245 1.568 2.327 1.00 1.00 C ATOM 43 C ASP A 4 -5.266 1.969 1.259 1.00 1.00 C ATOM 44 O ASP A 4 -6.206 2.693 1.523 1.00 1.00 O ATOM 45 CB ASP A 4 -4.789 0.385 3.135 1.00 1.00 C ATOM 46 CG ASP A 4 -6.069 0.807 3.860 1.00 1.00 C ATOM 47 OD1 ASP A 4 -6.582 1.870 3.552 1.00 1.00 O ATOM 48 OD2 ASP A 4 -6.519 0.059 4.712 1.00 1.00 O ATOM 0 H ASP A 4 -4.276 2.560 4.213 1.00 1.00 H new ATOM 0 HA ASP A 4 -3.312 1.285 1.840 1.00 1.00 H new ATOM 0 HB2 ASP A 4 -4.994 -0.457 2.474 1.00 1.00 H new ATOM 0 HB3 ASP A 4 -4.044 0.050 3.856 1.00 1.00 H new ATOM 53 N LEU A 5 -5.101 1.491 0.055 1.00 1.00 N ATOM 54 CA LEU A 5 -6.073 1.834 -1.023 1.00 1.00 C ATOM 55 C LEU A 5 -6.940 0.610 -1.308 1.00 1.00 C ATOM 56 O LEU A 5 -8.115 0.718 -1.604 1.00 1.00 O ATOM 57 CB LEU A 5 -5.318 2.231 -2.295 1.00 1.00 C ATOM 58 CG LEU A 5 -4.587 3.558 -2.078 1.00 1.00 C ATOM 59 CD1 LEU A 5 -3.845 3.947 -3.359 1.00 1.00 C ATOM 60 CD2 LEU A 5 -5.602 4.649 -1.740 1.00 1.00 C ATOM 0 H LEU A 5 -4.336 0.879 -0.229 1.00 1.00 H new ATOM 0 HA LEU A 5 -6.697 2.669 -0.705 1.00 1.00 H new ATOM 0 HB2 LEU A 5 -4.603 1.452 -2.562 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -6.015 2.322 -3.128 1.00 1.00 H new ATOM 0 HG LEU A 5 -3.876 3.449 -1.259 1.00 1.00 H new ATOM 0 HD11 LEU A 5 -3.324 4.892 -3.205 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -3.122 3.171 -3.611 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -4.560 4.055 -4.175 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -5.082 5.594 -1.585 1.00 1.00 H new ATOM 0 HD22 LEU A 5 -6.310 4.755 -2.562 1.00 1.00 H new ATOM 0 HD23 LEU A 5 -6.139 4.377 -0.831 1.00 1.00 H new ATOM 72 N ASN A 6 -6.370 -0.557 -1.212 1.00 1.00 N ATOM 73 CA ASN A 6 -7.150 -1.798 -1.464 1.00 1.00 C ATOM 74 C ASN A 6 -7.487 -2.472 -0.132 1.00 1.00 C ATOM 75 O ASN A 6 -6.679 -2.517 0.773 1.00 1.00 O ATOM 76 CB ASN A 6 -6.316 -2.751 -2.327 1.00 1.00 C ATOM 77 CG ASN A 6 -6.707 -2.584 -3.797 1.00 1.00 C ATOM 78 OD1 ASN A 6 -7.877 -2.557 -4.125 1.00 1.00 O ATOM 79 ND2 ASN A 6 -5.774 -2.472 -4.701 1.00 1.00 N ATOM 0 H ASN A 6 -5.391 -0.705 -0.968 1.00 1.00 H new ATOM 0 HA ASN A 6 -8.075 -1.550 -1.984 1.00 1.00 H new ATOM 0 HB2 ASN A 6 -5.254 -2.542 -2.196 1.00 1.00 H new ATOM 0 HB3 ASN A 6 -6.479 -3.781 -2.011 1.00 1.00 H new ATOM 0 HD21 ASN A 6 -6.026 -2.362 -5.683 1.00 1.00 H new ATOM 0 HD22 ASN A 6 -4.792 -2.495 -4.426 1.00 1.00 H new ATOM 86 N ALA A 7 -8.672 -3.004 -0.004 1.00 1.00 N ATOM 87 CA ALA A 7 -9.049 -3.680 1.269 1.00 1.00 C ATOM 88 C ALA A 7 -8.188 -4.932 1.441 1.00 1.00 C ATOM 89 O ALA A 7 -8.072 -5.475 2.522 1.00 1.00 O ATOM 90 CB ALA A 7 -10.526 -4.073 1.221 1.00 1.00 C ATOM 0 H ALA A 7 -9.394 -3.000 -0.725 1.00 1.00 H new ATOM 0 HA ALA A 7 -8.886 -3.005 2.109 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -10.801 -4.568 2.153 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -11.136 -3.179 1.090 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -10.695 -4.753 0.386 1.00 1.00 H new ATOM 96 N HIS A 8 -7.579 -5.392 0.381 1.00 1.00 N ATOM 97 CA HIS A 8 -6.719 -6.603 0.477 1.00 1.00 C ATOM 98 C HIS A 8 -5.281 -6.186 0.776 1.00 1.00 C ATOM 99 O HIS A 8 -4.369 -6.987 0.738 1.00 1.00 O ATOM 100 CB HIS A 8 -6.772 -7.369 -0.846 1.00 1.00 C ATOM 101 CG HIS A 8 -8.125 -8.000 -0.993 1.00 1.00 C ATOM 102 ND1 HIS A 8 -8.354 -9.343 -0.726 1.00 1.00 N ATOM 103 CD2 HIS A 8 -9.339 -7.476 -1.354 1.00 1.00 C ATOM 104 CE1 HIS A 8 -9.664 -9.578 -0.929 1.00 1.00 C ATOM 105 NE2 HIS A 8 -10.306 -8.474 -1.312 1.00 1.00 N ATOM 0 H HIS A 8 -7.641 -4.979 -0.549 1.00 1.00 H new ATOM 0 HA HIS A 8 -7.080 -7.245 1.281 1.00 1.00 H new ATOM 0 HB2 HIS A 8 -6.579 -6.694 -1.680 1.00 1.00 H new ATOM 0 HB3 HIS A 8 -5.996 -8.134 -0.869 1.00 1.00 H new ATOM 0 HD2 HIS A 8 -9.517 -6.447 -1.629 1.00 1.00 H new ATOM 0 HE1 HIS A 8 -10.136 -10.541 -0.798 1.00 1.00 H new ATOM 0 HE2 HIS A 8 -11.298 -8.381 -1.529 1.00 1.00 H new ATOM 113 N CYS A 9 -5.065 -4.934 1.074 1.00 1.00 N ATOM 114 CA CYS A 9 -3.682 -4.472 1.376 1.00 1.00 C ATOM 115 C CYS A 9 -3.064 -5.372 2.446 1.00 1.00 C ATOM 116 O CYS A 9 -1.943 -5.824 2.312 1.00 1.00 O ATOM 117 CB CYS A 9 -3.726 -3.028 1.876 1.00 1.00 C ATOM 118 SG CYS A 9 -3.628 -1.907 0.460 1.00 1.00 S ATOM 0 H CYS A 9 -5.785 -4.213 1.121 1.00 1.00 H new ATOM 0 HA CYS A 9 -3.075 -4.522 0.472 1.00 1.00 H new ATOM 0 HB2 CYS A 9 -4.646 -2.851 2.433 1.00 1.00 H new ATOM 0 HB3 CYS A 9 -2.899 -2.842 2.561 1.00 1.00 H new ATOM 123 N GLU A 10 -3.781 -5.648 3.504 1.00 1.00 N ATOM 124 CA GLU A 10 -3.219 -6.533 4.564 1.00 1.00 C ATOM 125 C GLU A 10 -3.046 -7.941 3.992 1.00 1.00 C ATOM 126 O GLU A 10 -2.083 -8.626 4.275 1.00 1.00 O ATOM 127 CB GLU A 10 -4.177 -6.586 5.758 1.00 1.00 C ATOM 128 CG GLU A 10 -3.489 -7.293 6.931 1.00 1.00 C ATOM 129 CD GLU A 10 -4.473 -7.426 8.097 1.00 1.00 C ATOM 130 OE1 GLU A 10 -5.610 -7.013 7.937 1.00 1.00 O ATOM 131 OE2 GLU A 10 -4.072 -7.938 9.130 1.00 1.00 O ATOM 0 H GLU A 10 -4.724 -5.301 3.678 1.00 1.00 H new ATOM 0 HA GLU A 10 -2.257 -6.142 4.895 1.00 1.00 H new ATOM 0 HB2 GLU A 10 -4.470 -5.577 6.048 1.00 1.00 H new ATOM 0 HB3 GLU A 10 -5.089 -7.116 5.484 1.00 1.00 H new ATOM 0 HG2 GLU A 10 -3.141 -8.278 6.621 1.00 1.00 H new ATOM 0 HG3 GLU A 10 -2.611 -6.729 7.245 1.00 1.00 H new ATOM 138 N MET A 11 -3.975 -8.372 3.181 1.00 1.00 N ATOM 139 CA MET A 11 -3.879 -9.733 2.579 1.00 1.00 C ATOM 140 C MET A 11 -2.613 -9.827 1.731 1.00 1.00 C ATOM 141 O MET A 11 -2.026 -10.878 1.586 1.00 1.00 O ATOM 142 CB MET A 11 -5.091 -9.989 1.681 1.00 1.00 C ATOM 143 CG MET A 11 -6.377 -9.896 2.503 1.00 1.00 C ATOM 144 SD MET A 11 -6.298 -11.050 3.896 1.00 1.00 S ATOM 145 CE MET A 11 -6.161 -12.570 2.924 1.00 1.00 C ATOM 0 H MET A 11 -4.800 -7.837 2.909 1.00 1.00 H new ATOM 0 HA MET A 11 -3.849 -10.473 3.379 1.00 1.00 H new ATOM 0 HB2 MET A 11 -5.114 -9.261 0.870 1.00 1.00 H new ATOM 0 HB3 MET A 11 -5.013 -10.975 1.222 1.00 1.00 H new ATOM 0 HG2 MET A 11 -6.513 -8.878 2.869 1.00 1.00 H new ATOM 0 HG3 MET A 11 -7.238 -10.127 1.876 1.00 1.00 H new ATOM 0 HE1 MET A 11 -6.551 -13.408 3.502 1.00 1.00 H new ATOM 0 HE2 MET A 11 -6.735 -12.466 2.003 1.00 1.00 H new ATOM 0 HE3 MET A 11 -5.114 -12.753 2.680 1.00 1.00 H new ATOM 155 N TRP A 12 -2.208 -8.741 1.143 1.00 1.00 N ATOM 156 CA TRP A 12 -0.998 -8.772 0.279 1.00 1.00 C ATOM 157 C TRP A 12 0.269 -8.542 1.112 1.00 1.00 C ATOM 158 O TRP A 12 1.263 -9.230 0.959 1.00 1.00 O ATOM 159 CB TRP A 12 -1.113 -7.670 -0.773 1.00 1.00 C ATOM 160 CG TRP A 12 -2.404 -7.801 -1.516 1.00 1.00 C ATOM 161 CD1 TRP A 12 -3.178 -8.911 -1.560 1.00 1.00 C ATOM 162 CD2 TRP A 12 -3.086 -6.795 -2.320 1.00 1.00 C ATOM 163 NE1 TRP A 12 -4.285 -8.651 -2.345 1.00 1.00 N ATOM 164 CE2 TRP A 12 -4.273 -7.362 -2.835 1.00 1.00 C ATOM 165 CE3 TRP A 12 -2.788 -5.460 -2.651 1.00 1.00 C ATOM 166 CZ2 TRP A 12 -5.140 -6.632 -3.650 1.00 1.00 C ATOM 167 CZ3 TRP A 12 -3.658 -4.722 -3.469 1.00 1.00 C ATOM 168 CH2 TRP A 12 -4.831 -5.307 -3.968 1.00 1.00 C ATOM 0 H TRP A 12 -2.662 -7.831 1.223 1.00 1.00 H new ATOM 0 HA TRP A 12 -0.929 -9.750 -0.198 1.00 1.00 H new ATOM 0 HB2 TRP A 12 -1.058 -6.692 -0.294 1.00 1.00 H new ATOM 0 HB3 TRP A 12 -0.276 -7.732 -1.469 1.00 1.00 H new ATOM 0 HD1 TRP A 12 -2.965 -9.846 -1.063 1.00 1.00 H new ATOM 0 HE1 TRP A 12 -5.021 -9.330 -2.538 1.00 1.00 H new ATOM 0 HE3 TRP A 12 -1.886 -5.001 -2.274 1.00 1.00 H new ATOM 0 HZ2 TRP A 12 -6.042 -7.088 -4.031 1.00 1.00 H new ATOM 0 HZ3 TRP A 12 -3.423 -3.697 -3.716 1.00 1.00 H new ATOM 0 HH2 TRP A 12 -5.495 -4.734 -4.598 1.00 1.00 H new ATOM 179 N GLN A 13 0.256 -7.581 1.988 1.00 1.00 N ATOM 180 CA GLN A 13 1.471 -7.325 2.803 1.00 1.00 C ATOM 181 C GLN A 13 1.748 -8.540 3.681 1.00 1.00 C ATOM 182 O GLN A 13 2.882 -8.904 3.916 1.00 1.00 O ATOM 183 CB GLN A 13 1.258 -6.084 3.666 1.00 1.00 C ATOM 184 CG GLN A 13 0.455 -6.456 4.915 1.00 1.00 C ATOM 185 CD GLN A 13 1.402 -7.006 5.980 1.00 1.00 C ATOM 186 OE1 GLN A 13 2.542 -6.597 6.066 1.00 1.00 O ATOM 187 NE2 GLN A 13 0.976 -7.922 6.806 1.00 1.00 N ATOM 0 H GLN A 13 -0.536 -6.966 2.174 1.00 1.00 H new ATOM 0 HA GLN A 13 2.326 -7.153 2.150 1.00 1.00 H new ATOM 0 HB2 GLN A 13 2.220 -5.660 3.953 1.00 1.00 H new ATOM 0 HB3 GLN A 13 0.730 -5.319 3.096 1.00 1.00 H new ATOM 0 HG2 GLN A 13 -0.071 -5.581 5.297 1.00 1.00 H new ATOM 0 HG3 GLN A 13 -0.302 -7.200 4.666 1.00 1.00 H new ATOM 0 HE21 GLN A 13 0.019 -8.267 6.735 1.00 1.00 H new ATOM 0 HE22 GLN A 13 1.600 -8.293 7.522 1.00 1.00 H new ATOM 196 N GLN A 14 0.718 -9.176 4.157 1.00 1.00 N ATOM 197 CA GLN A 14 0.923 -10.372 5.007 1.00 1.00 C ATOM 198 C GLN A 14 1.587 -11.461 4.165 1.00 1.00 C ATOM 199 O GLN A 14 2.302 -12.304 4.670 1.00 1.00 O ATOM 200 CB GLN A 14 -0.425 -10.845 5.557 1.00 1.00 C ATOM 201 CG GLN A 14 -1.156 -11.686 4.514 1.00 1.00 C ATOM 202 CD GLN A 14 -2.604 -11.893 4.964 1.00 1.00 C ATOM 203 OE1 GLN A 14 -3.161 -12.958 4.792 1.00 1.00 O ATOM 204 NE2 GLN A 14 -3.242 -10.907 5.535 1.00 1.00 N ATOM 0 H GLN A 14 -0.255 -8.918 3.993 1.00 1.00 H new ATOM 0 HA GLN A 14 1.569 -10.135 5.853 1.00 1.00 H new ATOM 0 HB2 GLN A 14 -0.271 -11.431 6.463 1.00 1.00 H new ATOM 0 HB3 GLN A 14 -1.035 -9.985 5.833 1.00 1.00 H new ATOM 0 HG2 GLN A 14 -1.131 -11.188 3.545 1.00 1.00 H new ATOM 0 HG3 GLN A 14 -0.659 -12.648 4.391 1.00 1.00 H new ATOM 0 HE21 GLN A 14 -2.774 -10.012 5.679 1.00 1.00 H new ATOM 0 HE22 GLN A 14 -4.208 -11.032 5.837 1.00 1.00 H new ATOM 213 N LEU A 15 1.376 -11.437 2.874 1.00 1.00 N ATOM 214 CA LEU A 15 2.020 -12.452 2.001 1.00 1.00 C ATOM 215 C LEU A 15 3.405 -11.946 1.593 1.00 1.00 C ATOM 216 O LEU A 15 4.218 -12.681 1.070 1.00 1.00 O ATOM 217 CB LEU A 15 1.161 -12.680 0.758 1.00 1.00 C ATOM 218 CG LEU A 15 -0.184 -13.273 1.173 1.00 1.00 C ATOM 219 CD1 LEU A 15 -1.056 -13.478 -0.064 1.00 1.00 C ATOM 220 CD2 LEU A 15 0.046 -14.620 1.859 1.00 1.00 C ATOM 0 H LEU A 15 0.786 -10.759 2.392 1.00 1.00 H new ATOM 0 HA LEU A 15 2.119 -13.395 2.538 1.00 1.00 H new ATOM 0 HB2 LEU A 15 1.009 -11.739 0.230 1.00 1.00 H new ATOM 0 HB3 LEU A 15 1.671 -13.353 0.069 1.00 1.00 H new ATOM 0 HG LEU A 15 -0.684 -12.591 1.861 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -2.015 -13.901 0.233 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -1.219 -12.520 -0.557 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -0.556 -14.160 -0.752 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -0.913 -15.045 2.156 1.00 1.00 H new ATOM 0 HD22 LEU A 15 0.546 -15.299 1.169 1.00 1.00 H new ATOM 0 HD23 LEU A 15 0.669 -14.477 2.742 1.00 1.00 H new ATOM 232 N GLY A 16 3.686 -10.695 1.849 1.00 1.00 N ATOM 233 CA GLY A 16 5.028 -10.145 1.499 1.00 1.00 C ATOM 234 C GLY A 16 4.964 -9.363 0.183 1.00 1.00 C ATOM 235 O GLY A 16 5.976 -9.048 -0.406 1.00 1.00 O ATOM 0 H GLY A 16 3.045 -10.032 2.285 1.00 1.00 H new ATOM 0 HA2 GLY A 16 5.380 -9.493 2.299 1.00 1.00 H new ATOM 0 HA3 GLY A 16 5.748 -10.958 1.410 1.00 1.00 H new ATOM 239 N HIS A 17 3.790 -9.043 -0.289 1.00 1.00 N ATOM 240 CA HIS A 17 3.690 -8.276 -1.566 1.00 1.00 C ATOM 241 C HIS A 17 4.487 -6.977 -1.451 1.00 1.00 C ATOM 242 O HIS A 17 4.963 -6.443 -2.432 1.00 1.00 O ATOM 243 CB HIS A 17 2.228 -7.951 -1.868 1.00 1.00 C ATOM 244 CG HIS A 17 1.510 -9.213 -2.254 1.00 1.00 C ATOM 245 ND1 HIS A 17 0.447 -9.221 -3.147 1.00 1.00 N ATOM 246 CD2 HIS A 17 1.690 -10.517 -1.873 1.00 1.00 C ATOM 247 CE1 HIS A 17 0.033 -10.498 -3.271 1.00 1.00 C ATOM 248 NE2 HIS A 17 0.759 -11.323 -2.515 1.00 1.00 N ATOM 0 H HIS A 17 2.900 -9.277 0.150 1.00 1.00 H new ATOM 0 HA HIS A 17 4.097 -8.882 -2.375 1.00 1.00 H new ATOM 0 HB2 HIS A 17 1.755 -7.502 -0.995 1.00 1.00 H new ATOM 0 HB3 HIS A 17 2.165 -7.221 -2.675 1.00 1.00 H new ATOM 0 HD2 HIS A 17 2.441 -10.865 -1.179 1.00 1.00 H new ATOM 0 HE1 HIS A 17 -0.784 -10.813 -3.903 1.00 1.00 H new ATOM 0 HE2 HIS A 17 0.653 -12.334 -2.427 1.00 1.00 H new ATOM 256 N CYS A 18 4.646 -6.467 -0.260 1.00 1.00 N ATOM 257 CA CYS A 18 5.429 -5.210 -0.098 1.00 1.00 C ATOM 258 C CYS A 18 6.911 -5.566 -0.138 1.00 1.00 C ATOM 259 O CYS A 18 7.717 -4.881 -0.740 1.00 1.00 O ATOM 260 CB CYS A 18 5.096 -4.569 1.251 1.00 1.00 C ATOM 261 SG CYS A 18 3.851 -3.281 1.024 1.00 1.00 S ATOM 0 H CYS A 18 4.271 -6.863 0.602 1.00 1.00 H new ATOM 0 HA CYS A 18 5.185 -4.507 -0.895 1.00 1.00 H new ATOM 0 HB2 CYS A 18 4.727 -5.326 1.943 1.00 1.00 H new ATOM 0 HB3 CYS A 18 5.996 -4.144 1.694 1.00 1.00 H new ATOM 266 N GLN A 19 7.267 -6.652 0.487 1.00 1.00 N ATOM 267 CA GLN A 19 8.684 -7.095 0.485 1.00 1.00 C ATOM 268 C GLN A 19 9.043 -7.602 -0.912 1.00 1.00 C ATOM 269 O GLN A 19 10.162 -7.473 -1.367 1.00 1.00 O ATOM 270 CB GLN A 19 8.857 -8.233 1.493 1.00 1.00 C ATOM 271 CG GLN A 19 10.338 -8.594 1.613 1.00 1.00 C ATOM 272 CD GLN A 19 10.501 -9.774 2.571 1.00 1.00 C ATOM 273 OE1 GLN A 19 9.589 -10.111 3.300 1.00 1.00 O ATOM 274 NE2 GLN A 19 11.631 -10.429 2.596 1.00 1.00 N ATOM 0 H GLN A 19 6.629 -7.257 1.004 1.00 1.00 H new ATOM 0 HA GLN A 19 9.334 -6.263 0.757 1.00 1.00 H new ATOM 0 HB2 GLN A 19 8.466 -7.933 2.465 1.00 1.00 H new ATOM 0 HB3 GLN A 19 8.285 -9.104 1.174 1.00 1.00 H new ATOM 0 HG2 GLN A 19 10.741 -8.849 0.633 1.00 1.00 H new ATOM 0 HG3 GLN A 19 10.904 -7.736 1.977 1.00 1.00 H new ATOM 0 HE21 GLN A 19 12.397 -10.147 1.985 1.00 1.00 H new ATOM 0 HE22 GLN A 19 11.747 -11.222 3.227 1.00 1.00 H new ATOM 283 N TYR A 20 8.093 -8.194 -1.582 1.00 1.00 N ATOM 284 CA TYR A 20 8.355 -8.743 -2.943 1.00 1.00 C ATOM 285 C TYR A 20 7.811 -7.807 -4.023 1.00 1.00 C ATOM 286 O TYR A 20 8.378 -7.697 -5.093 1.00 1.00 O ATOM 287 CB TYR A 20 7.668 -10.101 -3.063 1.00 1.00 C ATOM 288 CG TYR A 20 8.352 -11.083 -2.148 1.00 1.00 C ATOM 289 CD1 TYR A 20 9.627 -11.559 -2.467 1.00 1.00 C ATOM 290 CD2 TYR A 20 7.715 -11.511 -0.980 1.00 1.00 C ATOM 291 CE1 TYR A 20 10.267 -12.468 -1.617 1.00 1.00 C ATOM 292 CE2 TYR A 20 8.351 -12.420 -0.130 1.00 1.00 C ATOM 293 CZ TYR A 20 9.628 -12.899 -0.448 1.00 1.00 C ATOM 294 OH TYR A 20 10.254 -13.797 0.388 1.00 1.00 O ATOM 0 H TYR A 20 7.140 -8.322 -1.243 1.00 1.00 H new ATOM 0 HA TYR A 20 9.431 -8.843 -3.083 1.00 1.00 H new ATOM 0 HB2 TYR A 20 6.614 -10.013 -2.800 1.00 1.00 H new ATOM 0 HB3 TYR A 20 7.711 -10.454 -4.093 1.00 1.00 H new ATOM 0 HD1 TYR A 20 10.118 -11.225 -3.369 1.00 1.00 H new ATOM 0 HD2 TYR A 20 6.731 -11.139 -0.734 1.00 1.00 H new ATOM 0 HE1 TYR A 20 11.252 -12.836 -1.862 1.00 1.00 H new ATOM 0 HE2 TYR A 20 7.858 -12.753 0.771 1.00 1.00 H new ATOM 0 HH TYR A 20 9.674 -13.990 1.154 1.00 1.00 H new ATOM 304 N SER A 21 6.713 -7.143 -3.774 1.00 1.00 N ATOM 305 CA SER A 21 6.152 -6.237 -4.819 1.00 1.00 C ATOM 306 C SER A 21 5.863 -4.851 -4.228 1.00 1.00 C ATOM 307 O SER A 21 4.727 -4.434 -4.103 1.00 1.00 O ATOM 308 CB SER A 21 4.861 -6.844 -5.369 1.00 1.00 C ATOM 309 OG SER A 21 4.860 -6.733 -6.786 1.00 1.00 O ATOM 0 H SER A 21 6.185 -7.187 -2.902 1.00 1.00 H new ATOM 0 HA SER A 21 6.880 -6.126 -5.623 1.00 1.00 H new ATOM 0 HB2 SER A 21 4.782 -7.890 -5.074 1.00 1.00 H new ATOM 0 HB3 SER A 21 3.996 -6.329 -4.951 1.00 1.00 H new ATOM 0 HG SER A 21 4.035 -7.122 -7.144 1.00 1.00 H new ATOM 315 N PRO A 22 6.894 -4.126 -3.896 1.00 1.00 N ATOM 316 CA PRO A 22 6.757 -2.754 -3.341 1.00 1.00 C ATOM 317 C PRO A 22 6.367 -1.749 -4.429 1.00 1.00 C ATOM 318 O PRO A 22 5.782 -0.715 -4.164 1.00 1.00 O ATOM 319 CB PRO A 22 8.149 -2.443 -2.786 1.00 1.00 C ATOM 320 CG PRO A 22 9.089 -3.301 -3.567 1.00 1.00 C ATOM 321 CD PRO A 22 8.303 -4.536 -4.012 1.00 1.00 C ATOM 0 HA PRO A 22 5.974 -2.687 -2.585 1.00 1.00 H new ATOM 0 HB2 PRO A 22 8.392 -1.387 -2.903 1.00 1.00 H new ATOM 0 HB3 PRO A 22 8.206 -2.667 -1.721 1.00 1.00 H new ATOM 0 HG2 PRO A 22 9.478 -2.760 -4.430 1.00 1.00 H new ATOM 0 HG3 PRO A 22 9.946 -3.588 -2.958 1.00 1.00 H new ATOM 0 HD2 PRO A 22 8.553 -4.820 -5.034 1.00 1.00 H new ATOM 0 HD3 PRO A 22 8.521 -5.397 -3.380 1.00 1.00 H new ATOM 329 N LYS A 23 6.692 -2.056 -5.657 1.00 1.00 N ATOM 330 CA LYS A 23 6.356 -1.145 -6.785 1.00 1.00 C ATOM 331 C LYS A 23 4.838 -0.972 -6.901 1.00 1.00 C ATOM 332 O LYS A 23 4.359 0.067 -7.311 1.00 1.00 O ATOM 333 CB LYS A 23 6.896 -1.730 -8.091 1.00 1.00 C ATOM 334 CG LYS A 23 6.631 -0.745 -9.230 1.00 1.00 C ATOM 335 CD LYS A 23 7.123 -1.334 -10.549 1.00 1.00 C ATOM 336 CE LYS A 23 7.061 -0.256 -11.632 1.00 1.00 C ATOM 337 NZ LYS A 23 6.211 0.874 -11.156 1.00 1.00 N ATOM 0 H LYS A 23 7.181 -2.909 -5.927 1.00 1.00 H new ATOM 0 HA LYS A 23 6.810 -0.172 -6.596 1.00 1.00 H new ATOM 0 HB2 LYS A 23 7.965 -1.923 -8.002 1.00 1.00 H new ATOM 0 HB3 LYS A 23 6.416 -2.686 -8.301 1.00 1.00 H new ATOM 0 HG2 LYS A 23 5.565 -0.527 -9.294 1.00 1.00 H new ATOM 0 HG3 LYS A 23 7.138 0.199 -9.031 1.00 1.00 H new ATOM 0 HD2 LYS A 23 8.144 -1.699 -10.440 1.00 1.00 H new ATOM 0 HD3 LYS A 23 6.508 -2.188 -10.832 1.00 1.00 H new ATOM 0 HE2 LYS A 23 8.064 0.101 -11.863 1.00 1.00 H new ATOM 0 HE3 LYS A 23 6.651 -0.672 -12.552 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 6.083 1.561 -11.926 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 5.283 0.510 -10.860 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 6.673 1.340 -10.349 1.00 1.00 H new ATOM 351 N TYR A 24 4.076 -1.982 -6.570 1.00 1.00 N ATOM 352 CA TYR A 24 2.595 -1.854 -6.696 1.00 1.00 C ATOM 353 C TYR A 24 1.960 -1.698 -5.315 1.00 1.00 C ATOM 354 O TYR A 24 0.861 -1.201 -5.186 1.00 1.00 O ATOM 355 CB TYR A 24 2.045 -3.116 -7.363 1.00 1.00 C ATOM 356 CG TYR A 24 2.871 -3.432 -8.583 1.00 1.00 C ATOM 357 CD1 TYR A 24 4.007 -4.240 -8.459 1.00 1.00 C ATOM 358 CD2 TYR A 24 2.507 -2.924 -9.837 1.00 1.00 C ATOM 359 CE1 TYR A 24 4.780 -4.540 -9.585 1.00 1.00 C ATOM 360 CE2 TYR A 24 3.281 -3.225 -10.965 1.00 1.00 C ATOM 361 CZ TYR A 24 4.418 -4.034 -10.839 1.00 1.00 C ATOM 362 OH TYR A 24 5.181 -4.331 -11.949 1.00 1.00 O ATOM 0 H TYR A 24 4.411 -2.880 -6.222 1.00 1.00 H new ATOM 0 HA TYR A 24 2.359 -0.975 -7.296 1.00 1.00 H new ATOM 0 HB2 TYR A 24 2.072 -3.952 -6.664 1.00 1.00 H new ATOM 0 HB3 TYR A 24 1.002 -2.968 -7.643 1.00 1.00 H new ATOM 0 HD1 TYR A 24 4.287 -4.632 -7.492 1.00 1.00 H new ATOM 0 HD2 TYR A 24 1.630 -2.301 -9.934 1.00 1.00 H new ATOM 0 HE1 TYR A 24 5.657 -5.163 -9.487 1.00 1.00 H new ATOM 0 HE2 TYR A 24 3.001 -2.833 -11.932 1.00 1.00 H new ATOM 0 HH TYR A 24 4.790 -3.902 -12.739 1.00 1.00 H new ATOM 372 N MET A 25 2.642 -2.089 -4.275 1.00 1.00 N ATOM 373 CA MET A 25 2.051 -1.920 -2.919 1.00 1.00 C ATOM 374 C MET A 25 2.196 -0.459 -2.495 1.00 1.00 C ATOM 375 O MET A 25 1.307 0.124 -1.908 1.00 1.00 O ATOM 376 CB MET A 25 2.779 -2.813 -1.921 1.00 1.00 C ATOM 377 CG MET A 25 2.403 -4.274 -2.176 1.00 1.00 C ATOM 378 SD MET A 25 0.646 -4.529 -1.809 1.00 1.00 S ATOM 379 CE MET A 25 0.778 -4.553 -0.003 1.00 1.00 C ATOM 0 H MET A 25 3.570 -2.512 -4.303 1.00 1.00 H new ATOM 0 HA MET A 25 0.998 -2.199 -2.942 1.00 1.00 H new ATOM 0 HB2 MET A 25 3.857 -2.681 -2.018 1.00 1.00 H new ATOM 0 HB3 MET A 25 2.513 -2.530 -0.902 1.00 1.00 H new ATOM 0 HG2 MET A 25 2.609 -4.536 -3.214 1.00 1.00 H new ATOM 0 HG3 MET A 25 3.013 -4.930 -1.554 1.00 1.00 H new ATOM 0 HE1 MET A 25 -0.185 -4.825 0.429 1.00 1.00 H new ATOM 0 HE2 MET A 25 1.529 -5.283 0.297 1.00 1.00 H new ATOM 0 HE3 MET A 25 1.070 -3.565 0.354 1.00 1.00 H new ATOM 389 N GLY A 26 3.316 0.137 -2.796 1.00 1.00 N ATOM 390 CA GLY A 26 3.529 1.559 -2.421 1.00 1.00 C ATOM 391 C GLY A 26 2.501 2.430 -3.138 1.00 1.00 C ATOM 392 O GLY A 26 2.134 3.490 -2.674 1.00 1.00 O ATOM 0 H GLY A 26 4.094 -0.303 -3.287 1.00 1.00 H new ATOM 0 HA2 GLY A 26 3.436 1.680 -1.342 1.00 1.00 H new ATOM 0 HA3 GLY A 26 4.538 1.871 -2.691 1.00 1.00 H new ATOM 396 N HIS A 27 2.040 1.991 -4.275 1.00 1.00 N ATOM 397 CA HIS A 27 1.039 2.787 -5.035 1.00 1.00 C ATOM 398 C HIS A 27 -0.360 2.458 -4.526 1.00 1.00 C ATOM 399 O HIS A 27 -1.324 3.113 -4.861 1.00 1.00 O ATOM 400 CB HIS A 27 1.125 2.439 -6.521 1.00 1.00 C ATOM 401 CG HIS A 27 0.268 3.393 -7.307 1.00 1.00 C ATOM 402 ND1 HIS A 27 0.743 4.620 -7.749 1.00 1.00 N ATOM 403 CD2 HIS A 27 -1.033 3.318 -7.739 1.00 1.00 C ATOM 404 CE1 HIS A 27 -0.256 5.227 -8.416 1.00 1.00 C ATOM 405 NE2 HIS A 27 -1.357 4.477 -8.438 1.00 1.00 N ATOM 0 H HIS A 27 2.315 1.111 -4.712 1.00 1.00 H new ATOM 0 HA HIS A 27 1.244 3.849 -4.897 1.00 1.00 H new ATOM 0 HB2 HIS A 27 2.159 2.497 -6.860 1.00 1.00 H new ATOM 0 HB3 HIS A 27 0.793 1.414 -6.686 1.00 1.00 H new ATOM 0 HD2 HIS A 27 -1.701 2.488 -7.564 1.00 1.00 H new ATOM 0 HE1 HIS A 27 -0.175 6.201 -8.876 1.00 1.00 H new ATOM 0 HE2 HIS A 27 -2.250 4.705 -8.875 1.00 1.00 H new ATOM 413 N TYR A 28 -0.479 1.434 -3.733 1.00 1.00 N ATOM 414 CA TYR A 28 -1.818 1.052 -3.215 1.00 1.00 C ATOM 415 C TYR A 28 -1.796 1.008 -1.694 1.00 1.00 C ATOM 416 O TYR A 28 -2.621 1.606 -1.034 1.00 1.00 O ATOM 417 CB TYR A 28 -2.185 -0.326 -3.753 1.00 1.00 C ATOM 418 CG TYR A 28 -2.823 -0.171 -5.108 1.00 1.00 C ATOM 419 CD1 TYR A 28 -2.028 -0.132 -6.259 1.00 1.00 C ATOM 420 CD2 TYR A 28 -4.212 -0.062 -5.208 1.00 1.00 C ATOM 421 CE1 TYR A 28 -2.628 0.015 -7.515 1.00 1.00 C ATOM 422 CE2 TYR A 28 -4.812 0.083 -6.461 1.00 1.00 C ATOM 423 CZ TYR A 28 -4.022 0.122 -7.616 1.00 1.00 C ATOM 424 OH TYR A 28 -4.616 0.264 -8.853 1.00 1.00 O ATOM 0 H TYR A 28 0.293 0.845 -3.421 1.00 1.00 H new ATOM 0 HA TYR A 28 -2.553 1.788 -3.539 1.00 1.00 H new ATOM 0 HB2 TYR A 28 -1.295 -0.951 -3.826 1.00 1.00 H new ATOM 0 HB3 TYR A 28 -2.871 -0.826 -3.069 1.00 1.00 H new ATOM 0 HD1 TYR A 28 -0.954 -0.215 -6.178 1.00 1.00 H new ATOM 0 HD2 TYR A 28 -4.822 -0.090 -4.317 1.00 1.00 H new ATOM 0 HE1 TYR A 28 -2.018 0.046 -8.405 1.00 1.00 H new ATOM 0 HE2 TYR A 28 -5.886 0.165 -6.539 1.00 1.00 H new ATOM 0 HH TYR A 28 -5.588 0.323 -8.744 1.00 1.00 H new ATOM 434 N CYS A 29 -0.868 0.290 -1.129 1.00 1.00 N ATOM 435 CA CYS A 29 -0.812 0.201 0.351 1.00 1.00 C ATOM 436 C CYS A 29 0.396 0.972 0.877 1.00 1.00 C ATOM 437 O CYS A 29 1.525 0.594 0.654 1.00 1.00 O ATOM 438 CB CYS A 29 -0.689 -1.267 0.743 1.00 1.00 C ATOM 439 SG CYS A 29 -1.790 -2.259 -0.297 1.00 1.00 S ATOM 0 H CYS A 29 -0.150 -0.236 -1.627 1.00 1.00 H new ATOM 0 HA CYS A 29 -1.716 0.632 0.780 1.00 1.00 H new ATOM 0 HB2 CYS A 29 0.341 -1.602 0.624 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -0.947 -1.397 1.794 1.00 1.00 H new ATOM 444 N LYS A 30 0.165 2.049 1.578 1.00 1.00 N ATOM 445 CA LYS A 30 1.304 2.840 2.127 1.00 1.00 C ATOM 446 C LYS A 30 1.689 2.306 3.508 1.00 1.00 C ATOM 447 O LYS A 30 2.827 1.961 3.761 1.00 1.00 O ATOM 448 CB LYS A 30 0.893 4.307 2.243 1.00 1.00 C ATOM 449 CG LYS A 30 -0.071 4.667 1.106 1.00 1.00 C ATOM 450 CD LYS A 30 0.589 4.408 -0.254 1.00 1.00 C ATOM 451 CE LYS A 30 1.595 5.518 -0.563 1.00 1.00 C ATOM 452 NZ LYS A 30 0.937 6.845 -0.403 1.00 1.00 N ATOM 0 H LYS A 30 -0.762 2.415 1.794 1.00 1.00 H new ATOM 0 HA LYS A 30 2.160 2.752 1.458 1.00 1.00 H new ATOM 0 HB2 LYS A 30 0.416 4.486 3.207 1.00 1.00 H new ATOM 0 HB3 LYS A 30 1.775 4.946 2.200 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -0.983 4.077 1.193 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -0.360 5.715 1.184 1.00 1.00 H new ATOM 0 HD2 LYS A 30 1.092 3.441 -0.246 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -0.171 4.366 -1.035 1.00 1.00 H new ATOM 0 HE2 LYS A 30 2.452 5.443 0.106 1.00 1.00 H new ATOM 0 HE3 LYS A 30 1.973 5.408 -1.579 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 1.363 7.526 -1.063 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -0.079 6.755 -0.606 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 1.067 7.181 0.573 1.00 1.00 H new ATOM 466 N LYS A 31 0.747 2.234 4.407 1.00 1.00 N ATOM 467 CA LYS A 31 1.049 1.717 5.768 1.00 1.00 C ATOM 468 C LYS A 31 1.518 0.278 5.658 1.00 1.00 C ATOM 469 O LYS A 31 2.519 -0.113 6.224 1.00 1.00 O ATOM 470 CB LYS A 31 -0.226 1.753 6.594 1.00 1.00 C ATOM 471 CG LYS A 31 -0.558 3.204 6.921 1.00 1.00 C ATOM 472 CD LYS A 31 -2.073 3.387 6.988 1.00 1.00 C ATOM 473 CE LYS A 31 -2.582 2.940 8.358 1.00 1.00 C ATOM 474 NZ LYS A 31 -3.909 2.279 8.209 1.00 1.00 N ATOM 0 H LYS A 31 -0.222 2.513 4.255 1.00 1.00 H new ATOM 0 HA LYS A 31 1.822 2.326 6.237 1.00 1.00 H new ATOM 0 HB2 LYS A 31 -1.046 1.293 6.043 1.00 1.00 H new ATOM 0 HB3 LYS A 31 -0.098 1.179 7.512 1.00 1.00 H new ATOM 0 HG2 LYS A 31 -0.106 3.484 7.873 1.00 1.00 H new ATOM 0 HG3 LYS A 31 -0.136 3.863 6.162 1.00 1.00 H new ATOM 0 HD2 LYS A 31 -2.331 4.432 6.816 1.00 1.00 H new ATOM 0 HD3 LYS A 31 -2.555 2.806 6.202 1.00 1.00 H new ATOM 0 HE2 LYS A 31 -1.871 2.251 8.814 1.00 1.00 H new ATOM 0 HE3 LYS A 31 -2.665 3.799 9.024 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 -4.253 1.976 9.143 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 -4.586 2.949 7.792 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 -3.816 1.450 7.588 1.00 1.00 H new ATOM 488 N ALA A 32 0.792 -0.508 4.924 1.00 1.00 N ATOM 489 CA ALA A 32 1.166 -1.930 4.755 1.00 1.00 C ATOM 490 C ALA A 32 2.593 -2.003 4.215 1.00 1.00 C ATOM 491 O ALA A 32 3.269 -3.003 4.351 1.00 1.00 O ATOM 492 CB ALA A 32 0.195 -2.590 3.779 1.00 1.00 C ATOM 0 H ALA A 32 -0.053 -0.222 4.429 1.00 1.00 H new ATOM 0 HA ALA A 32 1.117 -2.453 5.710 1.00 1.00 H new ATOM 0 HB1 ALA A 32 0.465 -3.638 3.650 1.00 1.00 H new ATOM 0 HB2 ALA A 32 -0.819 -2.522 4.173 1.00 1.00 H new ATOM 0 HB3 ALA A 32 0.245 -2.081 2.816 1.00 1.00 H new ATOM 498 N CYS A 33 3.059 -0.944 3.613 1.00 1.00 N ATOM 499 CA CYS A 33 4.443 -0.938 3.074 1.00 1.00 C ATOM 500 C CYS A 33 5.316 -0.053 3.969 1.00 1.00 C ATOM 501 O CYS A 33 4.837 0.568 4.898 1.00 1.00 O ATOM 502 CB CYS A 33 4.431 -0.377 1.655 1.00 1.00 C ATOM 503 SG CYS A 33 4.926 -1.660 0.478 1.00 1.00 S ATOM 0 H CYS A 33 2.536 -0.080 3.472 1.00 1.00 H new ATOM 0 HA CYS A 33 4.841 -1.952 3.055 1.00 1.00 H new ATOM 0 HB2 CYS A 33 3.434 -0.011 1.408 1.00 1.00 H new ATOM 0 HB3 CYS A 33 5.110 0.473 1.585 1.00 1.00 H new ATOM 508 N GLY A 34 6.593 -0.003 3.709 1.00 1.00 N ATOM 509 CA GLY A 34 7.493 0.827 4.559 1.00 1.00 C ATOM 510 C GLY A 34 7.185 2.305 4.352 1.00 1.00 C ATOM 511 O GLY A 34 7.885 3.172 4.843 1.00 1.00 O ATOM 0 H GLY A 34 7.052 -0.500 2.946 1.00 1.00 H new ATOM 0 HA2 GLY A 34 7.362 0.563 5.608 1.00 1.00 H new ATOM 0 HA3 GLY A 34 8.534 0.625 4.307 1.00 1.00 H new ATOM 515 N LEU A 35 6.141 2.605 3.638 1.00 1.00 N ATOM 516 CA LEU A 35 5.791 4.028 3.416 1.00 1.00 C ATOM 517 C LEU A 35 5.172 4.583 4.701 1.00 1.00 C ATOM 518 O LEU A 35 5.293 5.753 5.002 1.00 1.00 O ATOM 519 CB LEU A 35 4.783 4.143 2.270 1.00 1.00 C ATOM 520 CG LEU A 35 5.313 3.392 1.043 1.00 1.00 C ATOM 521 CD1 LEU A 35 4.513 3.787 -0.196 1.00 1.00 C ATOM 522 CD2 LEU A 35 6.787 3.728 0.819 1.00 1.00 C ATOM 0 H LEU A 35 5.517 1.927 3.200 1.00 1.00 H new ATOM 0 HA LEU A 35 6.686 4.593 3.156 1.00 1.00 H new ATOM 0 HB2 LEU A 35 3.822 3.730 2.575 1.00 1.00 H new ATOM 0 HB3 LEU A 35 4.615 5.191 2.023 1.00 1.00 H new ATOM 0 HG LEU A 35 5.208 2.321 1.217 1.00 1.00 H new ATOM 0 HD11 LEU A 35 4.896 3.249 -1.063 1.00 1.00 H new ATOM 0 HD12 LEU A 35 3.463 3.535 -0.047 1.00 1.00 H new ATOM 0 HD13 LEU A 35 4.608 4.860 -0.364 1.00 1.00 H new ATOM 0 HD21 LEU A 35 7.154 3.190 -0.055 1.00 1.00 H new ATOM 0 HD22 LEU A 35 6.895 4.800 0.656 1.00 1.00 H new ATOM 0 HD23 LEU A 35 7.364 3.434 1.695 1.00 1.00 H new ATOM 534 N CYS A 36 4.505 3.752 5.459 1.00 1.00 N ATOM 535 CA CYS A 36 3.877 4.246 6.719 1.00 1.00 C ATOM 536 C CYS A 36 3.757 3.107 7.738 1.00 1.00 C ATOM 537 O CYS A 36 3.510 3.341 8.906 1.00 1.00 O ATOM 538 CB CYS A 36 2.484 4.787 6.402 1.00 1.00 C ATOM 539 SG CYS A 36 2.495 6.592 6.509 1.00 1.00 S ATOM 0 H CYS A 36 4.369 2.761 5.262 1.00 1.00 H new ATOM 0 HA CYS A 36 4.500 5.034 7.143 1.00 1.00 H new ATOM 0 HB2 CYS A 36 2.180 4.474 5.403 1.00 1.00 H new ATOM 0 HB3 CYS A 36 1.755 4.376 7.101 1.00 1.00 H new TER 544 CYS A 36