USER MOD reduce.3.24.130724 H: found=0, std=0, add=284, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 283 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 GLY N :NH3+ 152:sc=0.000121 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 66:sc= 0.703 USER MOD Single : A 9 ASN : amide:sc= 0.0231 X(o=0.023,f=0) USER MOD Single : A 16 HIS : no HE2:sc= -2.1! C(o=-2.1!,f=-4!) USER MOD Single : A 20 LYS NZ :NH3+ -162:sc= -0.0399 (180deg=-0.294) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -148:sc= 0.487 (180deg=-0.0341) USER MOD Single : A 34 ASN : amide:sc= 1.26 K(o=1.3,f=-0.032) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.925 -0.524 6.152 1.00 0.00 N ATOM 2 CA GLY A 1 -7.755 -1.229 6.654 1.00 0.00 C ATOM 3 C GLY A 1 -6.978 -1.825 5.525 1.00 0.00 C ATOM 4 O GLY A 1 -7.543 -2.539 4.685 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.672 -0.531 6.876 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.669 0.459 5.928 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.272 -0.995 5.292 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.122 -0.542 7.216 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.064 -2.014 7.344 1.00 0.00 H new ATOM 10 N ILE A 2 -5.700 -1.531 5.467 1.00 0.00 N ATOM 11 CA ILE A 2 -4.853 -2.049 4.423 1.00 0.00 C ATOM 12 C ILE A 2 -4.770 -3.569 4.454 1.00 0.00 C ATOM 13 O ILE A 2 -4.375 -4.187 5.445 1.00 0.00 O ATOM 14 CB ILE A 2 -3.469 -1.381 4.403 1.00 0.00 C ATOM 15 CG1 ILE A 2 -2.855 -1.317 5.812 1.00 0.00 C ATOM 16 CG2 ILE A 2 -3.566 -0.011 3.769 1.00 0.00 C ATOM 17 CD1 ILE A 2 -1.561 -0.542 5.895 1.00 0.00 C ATOM 0 H ILE A 2 -5.222 -0.930 6.138 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.327 -1.785 3.478 1.00 0.00 H new ATOM 0 HB ILE A 2 -2.797 -1.990 3.798 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.579 -0.865 6.490 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -2.679 -2.333 6.165 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -2.581 0.456 3.759 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -3.932 -0.108 2.747 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -4.255 0.608 4.344 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -1.199 -0.548 6.923 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.818 -1.004 5.246 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -1.732 0.486 5.576 1.00 0.00 H new ATOM 29 N THR A 3 -5.207 -4.147 3.380 1.00 0.00 N ATOM 30 CA THR A 3 -5.302 -5.563 3.230 1.00 0.00 C ATOM 31 C THR A 3 -4.608 -5.918 1.930 1.00 0.00 C ATOM 32 O THR A 3 -4.699 -5.152 0.969 1.00 0.00 O ATOM 33 CB THR A 3 -6.797 -5.949 3.133 1.00 0.00 C ATOM 34 OG1 THR A 3 -7.530 -5.324 4.211 1.00 0.00 O ATOM 35 CG2 THR A 3 -6.992 -7.454 3.209 1.00 0.00 C ATOM 0 H THR A 3 -5.517 -3.629 2.558 1.00 0.00 H new ATOM 0 HA THR A 3 -4.847 -6.087 4.070 1.00 0.00 H new ATOM 0 HB THR A 3 -7.169 -5.602 2.169 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.520 -4.351 4.092 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.054 -7.687 3.138 1.00 0.00 H new ATOM 0 HG22 THR A 3 -6.459 -7.932 2.387 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.602 -7.824 4.157 1.00 0.00 H new ATOM 43 N CYS A 4 -3.923 -7.022 1.888 1.00 0.00 N ATOM 44 CA CYS A 4 -3.223 -7.392 0.695 1.00 0.00 C ATOM 45 C CYS A 4 -3.755 -8.656 0.103 1.00 0.00 C ATOM 46 O CYS A 4 -3.523 -9.755 0.617 1.00 0.00 O ATOM 47 CB CYS A 4 -1.746 -7.520 0.949 1.00 0.00 C ATOM 48 SG CYS A 4 -0.980 -6.004 1.555 1.00 0.00 S ATOM 0 H CYS A 4 -3.834 -7.679 2.663 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.386 -6.591 -0.026 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -1.579 -8.316 1.675 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.252 -7.822 0.025 1.00 0.00 H new ATOM 53 N ASP A 5 -4.492 -8.499 -0.939 1.00 0.00 N ATOM 54 CA ASP A 5 -4.982 -9.601 -1.708 1.00 0.00 C ATOM 55 C ASP A 5 -3.994 -9.824 -2.824 1.00 0.00 C ATOM 56 O ASP A 5 -3.649 -10.961 -3.175 1.00 0.00 O ATOM 57 CB ASP A 5 -6.374 -9.276 -2.246 1.00 0.00 C ATOM 58 CG ASP A 5 -6.889 -10.272 -3.252 1.00 0.00 C ATOM 59 OD1 ASP A 5 -7.068 -11.462 -2.911 1.00 0.00 O ATOM 60 OD2 ASP A 5 -7.173 -9.868 -4.394 1.00 0.00 O ATOM 0 H ASP A 5 -4.780 -7.586 -1.292 1.00 0.00 H new ATOM 0 HA ASP A 5 -5.076 -10.505 -1.107 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -7.072 -9.224 -1.411 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -6.353 -8.288 -2.706 1.00 0.00 H new ATOM 65 N LEU A 6 -3.477 -8.721 -3.320 1.00 0.00 N ATOM 66 CA LEU A 6 -2.487 -8.707 -4.333 1.00 0.00 C ATOM 67 C LEU A 6 -1.184 -8.192 -3.737 1.00 0.00 C ATOM 68 O LEU A 6 -1.168 -7.550 -2.690 1.00 0.00 O ATOM 69 CB LEU A 6 -2.929 -7.799 -5.487 1.00 0.00 C ATOM 70 CG LEU A 6 -4.208 -8.208 -6.227 1.00 0.00 C ATOM 71 CD1 LEU A 6 -4.556 -7.183 -7.294 1.00 0.00 C ATOM 72 CD2 LEU A 6 -4.050 -9.585 -6.849 1.00 0.00 C ATOM 0 H LEU A 6 -3.754 -7.790 -3.009 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.343 -9.715 -4.721 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -3.069 -6.792 -5.094 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -2.117 -7.748 -6.212 1.00 0.00 H new ATOM 0 HG LEU A 6 -5.023 -8.248 -5.504 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.466 -7.489 -7.809 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.713 -6.211 -6.827 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -3.739 -7.113 -8.012 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.968 -9.857 -7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.222 -9.571 -7.558 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.846 -10.316 -6.067 1.00 0.00 H new ATOM 84 N ILE A 7 -0.123 -8.505 -4.377 1.00 0.00 N ATOM 85 CA ILE A 7 1.194 -8.061 -4.011 1.00 0.00 C ATOM 86 C ILE A 7 1.640 -7.012 -5.002 1.00 0.00 C ATOM 87 O ILE A 7 1.657 -7.256 -6.199 1.00 0.00 O ATOM 88 CB ILE A 7 2.193 -9.252 -3.982 1.00 0.00 C ATOM 89 CG1 ILE A 7 1.809 -10.208 -2.852 1.00 0.00 C ATOM 90 CG2 ILE A 7 3.645 -8.778 -3.835 1.00 0.00 C ATOM 91 CD1 ILE A 7 2.682 -11.440 -2.743 1.00 0.00 C ATOM 0 H ILE A 7 -0.133 -9.100 -5.205 1.00 0.00 H new ATOM 0 HA ILE A 7 1.170 -7.634 -3.009 1.00 0.00 H new ATOM 0 HB ILE A 7 2.132 -9.777 -4.935 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.848 -9.666 -1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.776 -10.523 -2.996 1.00 0.00 H new ATOM 0 HG21 ILE A 7 4.310 -9.642 -3.819 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.905 -8.135 -4.676 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.753 -8.220 -2.905 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.336 -12.059 -1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.625 -12.010 -3.671 1.00 0.00 H new ATOM 0 HD13 ILE A 7 3.714 -11.140 -2.564 1.00 0.00 H new ATOM 103 N GLY A 8 1.896 -5.818 -4.508 1.00 0.00 N ATOM 104 CA GLY A 8 2.350 -4.718 -5.358 1.00 0.00 C ATOM 105 C GLY A 8 1.228 -4.053 -6.153 1.00 0.00 C ATOM 106 O GLY A 8 1.140 -2.831 -6.208 1.00 0.00 O ATOM 0 H GLY A 8 1.800 -5.577 -3.522 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.837 -3.967 -4.736 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.102 -5.093 -6.052 1.00 0.00 H new ATOM 110 N ASN A 9 0.329 -4.866 -6.681 1.00 0.00 N ATOM 111 CA ASN A 9 -0.780 -4.427 -7.557 1.00 0.00 C ATOM 112 C ASN A 9 -1.969 -4.078 -6.719 1.00 0.00 C ATOM 113 O ASN A 9 -3.051 -3.789 -7.215 1.00 0.00 O ATOM 114 CB ASN A 9 -1.197 -5.556 -8.517 1.00 0.00 C ATOM 115 CG ASN A 9 -0.098 -6.008 -9.453 1.00 0.00 C ATOM 116 OD1 ASN A 9 0.082 -5.452 -10.533 1.00 0.00 O ATOM 117 ND2 ASN A 9 0.625 -7.031 -9.070 1.00 0.00 N ATOM 0 H ASN A 9 0.337 -5.873 -6.518 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.438 -3.565 -8.129 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -1.535 -6.411 -7.931 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.048 -5.219 -9.109 1.00 0.00 H new ATOM 0 HD21 ASN A 9 1.364 -7.389 -9.676 1.00 0.00 H new ATOM 0 HD22 ASN A 9 0.449 -7.470 -8.166 1.00 0.00 H new ATOM 124 N GLU A 10 -1.744 -4.081 -5.450 1.00 0.00 N ATOM 125 CA GLU A 10 -2.744 -3.884 -4.483 1.00 0.00 C ATOM 126 C GLU A 10 -3.028 -2.390 -4.302 1.00 0.00 C ATOM 127 O GLU A 10 -2.579 -1.737 -3.350 1.00 0.00 O ATOM 128 CB GLU A 10 -2.319 -4.578 -3.206 1.00 0.00 C ATOM 129 CG GLU A 10 -3.316 -4.519 -2.112 1.00 0.00 C ATOM 130 CD GLU A 10 -4.626 -5.115 -2.515 1.00 0.00 C ATOM 131 OE1 GLU A 10 -4.747 -6.345 -2.557 1.00 0.00 O ATOM 132 OE2 GLU A 10 -5.571 -4.358 -2.797 1.00 0.00 O ATOM 0 H GLU A 10 -0.817 -4.228 -5.051 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.688 -4.325 -4.803 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.106 -5.623 -3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.389 -4.130 -2.857 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.930 -5.048 -1.241 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.466 -3.481 -1.814 1.00 0.00 H new ATOM 139 N ARG A 11 -3.722 -1.872 -5.274 1.00 0.00 N ATOM 140 CA ARG A 11 -4.111 -0.475 -5.382 1.00 0.00 C ATOM 141 C ARG A 11 -4.898 -0.002 -4.160 1.00 0.00 C ATOM 142 O ARG A 11 -4.745 1.142 -3.722 1.00 0.00 O ATOM 143 CB ARG A 11 -4.915 -0.286 -6.659 1.00 0.00 C ATOM 144 CG ARG A 11 -5.388 1.125 -6.930 1.00 0.00 C ATOM 145 CD ARG A 11 -6.069 1.193 -8.277 1.00 0.00 C ATOM 146 NE ARG A 11 -5.142 0.851 -9.367 1.00 0.00 N ATOM 147 CZ ARG A 11 -5.499 0.320 -10.549 1.00 0.00 C ATOM 148 NH1 ARG A 11 -6.777 0.105 -10.835 1.00 0.00 N ATOM 149 NH2 ARG A 11 -4.575 0.019 -11.442 1.00 0.00 N ATOM 0 H ARG A 11 -4.054 -2.433 -6.059 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.210 0.137 -5.422 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -4.307 -0.615 -7.502 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.786 -0.941 -6.619 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.078 1.442 -6.148 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.542 1.812 -6.906 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.918 0.509 -8.292 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.465 2.196 -8.436 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.150 1.031 -9.214 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.499 0.343 -10.155 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.037 -0.298 -11.735 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -3.591 0.189 -11.235 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -4.845 -0.384 -12.339 1.00 0.00 H new ATOM 163 N LEU A 12 -5.695 -0.895 -3.587 1.00 0.00 N ATOM 164 CA LEU A 12 -6.477 -0.576 -2.392 1.00 0.00 C ATOM 165 C LEU A 12 -5.565 -0.302 -1.201 1.00 0.00 C ATOM 166 O LEU A 12 -5.962 0.344 -0.233 1.00 0.00 O ATOM 167 CB LEU A 12 -7.473 -1.691 -2.065 1.00 0.00 C ATOM 168 CG LEU A 12 -8.580 -1.936 -3.094 1.00 0.00 C ATOM 169 CD1 LEU A 12 -9.468 -3.088 -2.660 1.00 0.00 C ATOM 170 CD2 LEU A 12 -9.412 -0.682 -3.297 1.00 0.00 C ATOM 0 H LEU A 12 -5.819 -1.848 -3.929 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.046 0.330 -2.602 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -6.917 -2.619 -1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.941 -1.462 -1.108 1.00 0.00 H new ATOM 0 HG LEU A 12 -8.109 -2.197 -4.042 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.248 -3.246 -3.404 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -8.869 -3.993 -2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.926 -2.853 -1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.193 -0.878 -4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -9.869 -0.391 -2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.772 0.125 -3.654 1.00 0.00 H new ATOM 182 N CYS A 13 -4.358 -0.798 -1.273 1.00 0.00 N ATOM 183 CA CYS A 13 -3.380 -0.533 -0.266 1.00 0.00 C ATOM 184 C CYS A 13 -2.635 0.761 -0.609 1.00 0.00 C ATOM 185 O CYS A 13 -2.527 1.673 0.221 1.00 0.00 O ATOM 186 CB CYS A 13 -2.420 -1.714 -0.139 1.00 0.00 C ATOM 187 SG CYS A 13 -1.072 -1.458 1.034 1.00 0.00 S ATOM 0 H CYS A 13 -4.031 -1.395 -2.032 1.00 0.00 H new ATOM 0 HA CYS A 13 -3.871 -0.403 0.699 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -2.986 -2.595 0.163 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -1.996 -1.929 -1.120 1.00 0.00 H new ATOM 192 N VAL A 14 -2.197 0.864 -1.874 1.00 0.00 N ATOM 193 CA VAL A 14 -1.408 2.008 -2.372 1.00 0.00 C ATOM 194 C VAL A 14 -2.113 3.336 -2.084 1.00 0.00 C ATOM 195 O VAL A 14 -1.484 4.301 -1.615 1.00 0.00 O ATOM 196 CB VAL A 14 -1.170 1.919 -3.902 1.00 0.00 C ATOM 197 CG1 VAL A 14 -0.189 2.989 -4.361 1.00 0.00 C ATOM 198 CG2 VAL A 14 -0.700 0.540 -4.323 1.00 0.00 C ATOM 0 H VAL A 14 -2.379 0.155 -2.584 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.453 1.968 -1.849 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.128 2.097 -4.390 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.038 2.907 -5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.589 3.975 -4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.764 2.853 -3.849 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.546 0.522 -5.402 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.237 0.305 -3.818 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.453 -0.200 -4.052 1.00 0.00 H new ATOM 208 N VAL A 15 -3.423 3.361 -2.325 1.00 0.00 N ATOM 209 CA VAL A 15 -4.241 4.557 -2.130 1.00 0.00 C ATOM 210 C VAL A 15 -4.164 5.070 -0.677 1.00 0.00 C ATOM 211 O VAL A 15 -4.176 6.288 -0.438 1.00 0.00 O ATOM 212 CB VAL A 15 -5.729 4.319 -2.564 1.00 0.00 C ATOM 213 CG1 VAL A 15 -6.416 3.273 -1.708 1.00 0.00 C ATOM 214 CG2 VAL A 15 -6.526 5.617 -2.583 1.00 0.00 C ATOM 0 H VAL A 15 -3.947 2.553 -2.661 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.828 5.332 -2.776 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.695 3.933 -3.583 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.444 3.143 -2.047 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.883 2.326 -1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -6.415 3.597 -0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.552 5.410 -2.889 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -6.526 6.058 -1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.071 6.313 -3.288 1.00 0.00 H new ATOM 224 N HIS A 16 -3.996 4.149 0.268 1.00 0.00 N ATOM 225 CA HIS A 16 -3.933 4.496 1.675 1.00 0.00 C ATOM 226 C HIS A 16 -2.600 5.161 1.979 1.00 0.00 C ATOM 227 O HIS A 16 -2.535 6.153 2.711 1.00 0.00 O ATOM 228 CB HIS A 16 -4.140 3.255 2.554 1.00 0.00 C ATOM 229 CG HIS A 16 -4.058 3.527 4.024 1.00 0.00 C ATOM 230 ND1 HIS A 16 -5.082 4.061 4.763 1.00 0.00 N ATOM 231 CD2 HIS A 16 -3.031 3.337 4.882 1.00 0.00 C ATOM 232 CE1 HIS A 16 -4.659 4.182 6.021 1.00 0.00 C ATOM 233 NE2 HIS A 16 -3.419 3.751 6.147 1.00 0.00 N ATOM 0 H HIS A 16 -3.901 3.151 0.078 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.736 5.198 1.902 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -5.115 2.822 2.329 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -3.391 2.508 2.291 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -6.004 4.320 4.412 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -2.065 2.929 4.624 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -5.253 4.580 6.830 1.00 0.00 H new ATOM 241 N CYS A 17 -1.549 4.634 1.398 1.00 0.00 N ATOM 242 CA CYS A 17 -0.232 5.210 1.559 1.00 0.00 C ATOM 243 C CYS A 17 -0.223 6.615 0.964 1.00 0.00 C ATOM 244 O CYS A 17 0.279 7.567 1.586 1.00 0.00 O ATOM 245 CB CYS A 17 0.808 4.323 0.895 1.00 0.00 C ATOM 246 SG CYS A 17 0.826 2.601 1.511 1.00 0.00 S ATOM 0 H CYS A 17 -1.579 3.804 0.807 1.00 0.00 H new ATOM 0 HA CYS A 17 0.017 5.279 2.618 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.626 4.311 -0.180 1.00 0.00 H new ATOM 0 HB3 CYS A 17 1.794 4.762 1.047 1.00 0.00 H new ATOM 251 N LEU A 18 -0.867 6.763 -0.192 1.00 0.00 N ATOM 252 CA LEU A 18 -0.966 8.053 -0.858 1.00 0.00 C ATOM 253 C LEU A 18 -1.802 9.022 -0.015 1.00 0.00 C ATOM 254 O LEU A 18 -1.537 10.213 0.006 1.00 0.00 O ATOM 255 CB LEU A 18 -1.593 7.894 -2.250 1.00 0.00 C ATOM 256 CG LEU A 18 -0.853 6.984 -3.238 1.00 0.00 C ATOM 257 CD1 LEU A 18 -1.617 6.886 -4.547 1.00 0.00 C ATOM 258 CD2 LEU A 18 0.557 7.492 -3.491 1.00 0.00 C ATOM 0 H LEU A 18 -1.329 5.999 -0.686 1.00 0.00 H new ATOM 0 HA LEU A 18 0.039 8.459 -0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.605 7.509 -2.125 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -1.681 8.883 -2.699 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.786 5.990 -2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.077 6.236 -5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -2.608 6.473 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.715 7.879 -4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.061 6.830 -4.195 1.00 0.00 H new ATOM 0 HD22 LEU A 18 0.512 8.498 -3.908 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.110 7.513 -2.552 1.00 0.00 H new ATOM 270 N ALA A 19 -2.778 8.484 0.711 1.00 0.00 N ATOM 271 CA ALA A 19 -3.617 9.280 1.607 1.00 0.00 C ATOM 272 C ALA A 19 -2.801 9.780 2.791 1.00 0.00 C ATOM 273 O ALA A 19 -2.865 10.963 3.150 1.00 0.00 O ATOM 274 CB ALA A 19 -4.813 8.469 2.090 1.00 0.00 C ATOM 0 H ALA A 19 -3.010 7.491 0.697 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.990 10.141 1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.423 9.081 2.755 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.411 8.157 1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -4.462 7.588 2.628 1.00 0.00 H new ATOM 280 N LYS A 20 -2.005 8.885 3.376 1.00 0.00 N ATOM 281 CA LYS A 20 -1.142 9.246 4.496 1.00 0.00 C ATOM 282 C LYS A 20 -0.038 10.206 4.074 1.00 0.00 C ATOM 283 O LYS A 20 0.508 10.932 4.899 1.00 0.00 O ATOM 284 CB LYS A 20 -0.564 8.020 5.220 1.00 0.00 C ATOM 285 CG LYS A 20 -1.565 7.286 6.107 1.00 0.00 C ATOM 286 CD LYS A 20 -0.890 6.172 6.893 1.00 0.00 C ATOM 287 CE LYS A 20 -1.782 5.642 8.012 1.00 0.00 C ATOM 288 NZ LYS A 20 -2.057 6.654 9.059 1.00 0.00 N ATOM 0 H LYS A 20 -1.941 7.907 3.092 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.779 9.764 5.213 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.175 7.323 4.477 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.281 8.338 5.831 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.029 7.991 6.796 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.363 6.869 5.492 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.632 5.356 6.218 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.043 6.542 7.317 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.726 5.301 7.587 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.306 4.774 8.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.394 6.179 9.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.185 7.179 9.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.785 7.315 8.720 1.00 0.00 H new ATOM 302 N GLY A 21 0.300 10.194 2.804 1.00 0.00 N ATOM 303 CA GLY A 21 1.261 11.155 2.309 1.00 0.00 C ATOM 304 C GLY A 21 2.510 10.506 1.811 1.00 0.00 C ATOM 305 O GLY A 21 3.501 11.176 1.519 1.00 0.00 O ATOM 0 H GLY A 21 -0.067 9.545 2.108 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.810 11.734 1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.512 11.857 3.104 1.00 0.00 H new ATOM 309 N PHE A 22 2.470 9.214 1.711 1.00 0.00 N ATOM 310 CA PHE A 22 3.576 8.445 1.214 1.00 0.00 C ATOM 311 C PHE A 22 3.677 8.553 -0.266 1.00 0.00 C ATOM 312 O PHE A 22 2.682 8.810 -0.946 1.00 0.00 O ATOM 313 CB PHE A 22 3.451 6.985 1.642 1.00 0.00 C ATOM 314 CG PHE A 22 4.018 6.753 2.972 1.00 0.00 C ATOM 315 CD1 PHE A 22 3.258 6.835 4.122 1.00 0.00 C ATOM 316 CD2 PHE A 22 5.334 6.451 3.066 1.00 0.00 C ATOM 317 CE1 PHE A 22 3.841 6.607 5.349 1.00 0.00 C ATOM 318 CE2 PHE A 22 5.922 6.225 4.251 1.00 0.00 C ATOM 319 CZ PHE A 22 5.187 6.297 5.416 1.00 0.00 C ATOM 0 H PHE A 22 1.660 8.653 1.975 1.00 0.00 H new ATOM 0 HA PHE A 22 4.491 8.851 1.644 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.400 6.695 1.640 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.958 6.350 0.916 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.207 7.078 4.059 1.00 0.00 H new ATOM 0 HD2 PHE A 22 5.926 6.390 2.165 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.251 6.670 6.252 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.974 5.986 4.293 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.658 6.113 6.370 1.00 0.00 H new ATOM 329 N ARG A 23 4.878 8.343 -0.772 1.00 0.00 N ATOM 330 CA ARG A 23 5.138 8.371 -2.197 1.00 0.00 C ATOM 331 C ARG A 23 4.493 7.179 -2.868 1.00 0.00 C ATOM 332 O ARG A 23 4.356 7.142 -4.093 1.00 0.00 O ATOM 333 CB ARG A 23 6.641 8.416 -2.473 1.00 0.00 C ATOM 334 CG ARG A 23 7.316 9.683 -1.955 1.00 0.00 C ATOM 335 CD ARG A 23 6.805 10.918 -2.679 1.00 0.00 C ATOM 336 NE ARG A 23 7.127 10.863 -4.104 1.00 0.00 N ATOM 337 CZ ARG A 23 6.422 11.429 -5.085 1.00 0.00 C ATOM 338 NH1 ARG A 23 5.363 12.180 -4.810 1.00 0.00 N ATOM 339 NH2 ARG A 23 6.799 11.264 -6.332 1.00 0.00 N ATOM 0 H ARG A 23 5.702 8.148 -0.204 1.00 0.00 H new ATOM 0 HA ARG A 23 4.699 9.277 -2.615 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.113 7.548 -2.013 1.00 0.00 H new ATOM 0 HB3 ARG A 23 6.808 8.338 -3.547 1.00 0.00 H new ATOM 0 HG2 ARG A 23 7.132 9.784 -0.885 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.395 9.602 -2.087 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.726 10.999 -2.550 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.247 11.811 -2.237 1.00 0.00 H new ATOM 0 HE ARG A 23 7.965 10.346 -4.372 1.00 0.00 H new ATOM 0 HH11 ARG A 23 5.081 12.329 -3.841 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.831 12.608 -5.568 1.00 0.00 H new ATOM 0 HH21 ARG A 23 7.626 10.706 -6.545 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.265 11.694 -7.087 1.00 0.00 H new ATOM 353 N GLY A 24 4.067 6.232 -2.056 1.00 0.00 N ATOM 354 CA GLY A 24 3.362 5.099 -2.557 1.00 0.00 C ATOM 355 C GLY A 24 3.388 4.004 -1.562 1.00 0.00 C ATOM 356 O GLY A 24 3.880 4.204 -0.449 1.00 0.00 O ATOM 0 H GLY A 24 4.204 6.237 -1.045 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.331 5.372 -2.782 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.813 4.763 -3.491 1.00 0.00 H new ATOM 360 N GLY A 25 2.872 2.875 -1.919 1.00 0.00 N ATOM 361 CA GLY A 25 2.816 1.769 -1.022 1.00 0.00 C ATOM 362 C GLY A 25 2.654 0.497 -1.763 1.00 0.00 C ATOM 363 O GLY A 25 2.091 0.487 -2.854 1.00 0.00 O ATOM 0 H GLY A 25 2.477 2.693 -2.842 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.727 1.733 -0.425 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.985 1.899 -0.329 1.00 0.00 H new ATOM 367 N TRP A 26 3.124 -0.563 -1.202 1.00 0.00 N ATOM 368 CA TRP A 26 3.103 -1.821 -1.862 1.00 0.00 C ATOM 369 C TRP A 26 2.909 -2.908 -0.849 1.00 0.00 C ATOM 370 O TRP A 26 3.286 -2.766 0.317 1.00 0.00 O ATOM 371 CB TRP A 26 4.445 -2.067 -2.612 1.00 0.00 C ATOM 372 CG TRP A 26 5.635 -2.357 -1.704 1.00 0.00 C ATOM 373 CD1 TRP A 26 6.221 -3.574 -1.487 1.00 0.00 C ATOM 374 CD2 TRP A 26 6.353 -1.429 -0.876 1.00 0.00 C ATOM 375 NE1 TRP A 26 7.256 -3.449 -0.589 1.00 0.00 N ATOM 376 CE2 TRP A 26 7.352 -2.150 -0.198 1.00 0.00 C ATOM 377 CE3 TRP A 26 6.246 -0.068 -0.651 1.00 0.00 C ATOM 378 CZ2 TRP A 26 8.230 -1.548 0.688 1.00 0.00 C ATOM 379 CZ3 TRP A 26 7.113 0.533 0.232 1.00 0.00 C ATOM 380 CH2 TRP A 26 8.097 -0.206 0.893 1.00 0.00 C ATOM 0 H TRP A 26 3.535 -0.581 -0.269 1.00 0.00 H new ATOM 0 HA TRP A 26 2.285 -1.823 -2.583 1.00 0.00 H new ATOM 0 HB2 TRP A 26 4.315 -2.905 -3.297 1.00 0.00 H new ATOM 0 HB3 TRP A 26 4.673 -1.191 -3.219 1.00 0.00 H new ATOM 0 HD1 TRP A 26 5.915 -4.499 -1.953 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.855 -4.209 -0.268 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.493 0.514 -1.161 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 8.991 -2.120 1.198 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 7.032 1.594 0.417 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.765 0.294 1.579 1.00 0.00 H new ATOM 391 N CYS A 27 2.301 -3.951 -1.265 1.00 0.00 N ATOM 392 CA CYS A 27 2.258 -5.122 -0.470 1.00 0.00 C ATOM 393 C CYS A 27 3.445 -5.946 -0.842 1.00 0.00 C ATOM 394 O CYS A 27 3.731 -6.118 -2.040 1.00 0.00 O ATOM 395 CB CYS A 27 0.979 -5.896 -0.694 1.00 0.00 C ATOM 396 SG CYS A 27 -0.492 -5.021 -0.142 1.00 0.00 S ATOM 0 H CYS A 27 1.820 -4.021 -2.162 1.00 0.00 H new ATOM 0 HA CYS A 27 2.280 -4.860 0.588 1.00 0.00 H new ATOM 0 HB2 CYS A 27 0.881 -6.122 -1.756 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.044 -6.849 -0.170 1.00 0.00 H new ATOM 401 N ASP A 28 4.175 -6.388 0.136 1.00 0.00 N ATOM 402 CA ASP A 28 5.344 -7.191 -0.126 1.00 0.00 C ATOM 403 C ASP A 28 4.944 -8.657 -0.218 1.00 0.00 C ATOM 404 O ASP A 28 3.749 -8.986 -0.112 1.00 0.00 O ATOM 405 CB ASP A 28 6.453 -6.973 0.931 1.00 0.00 C ATOM 406 CG ASP A 28 6.187 -7.613 2.274 1.00 0.00 C ATOM 407 OD1 ASP A 28 5.734 -6.927 3.189 1.00 0.00 O ATOM 408 OD2 ASP A 28 6.473 -8.817 2.438 1.00 0.00 O ATOM 0 H ASP A 28 3.988 -6.210 1.123 1.00 0.00 H new ATOM 0 HA ASP A 28 5.767 -6.876 -1.080 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.391 -7.364 0.538 1.00 0.00 H new ATOM 0 HB3 ASP A 28 6.591 -5.902 1.076 1.00 0.00 H new ATOM 413 N SER A 29 5.928 -9.521 -0.395 1.00 0.00 N ATOM 414 CA SER A 29 5.729 -10.953 -0.574 1.00 0.00 C ATOM 415 C SER A 29 4.924 -11.599 0.586 1.00 0.00 C ATOM 416 O SER A 29 4.202 -12.573 0.383 1.00 0.00 O ATOM 417 CB SER A 29 7.092 -11.643 -0.748 1.00 0.00 C ATOM 418 OG SER A 29 6.946 -12.993 -1.155 1.00 0.00 O ATOM 0 H SER A 29 6.909 -9.243 -0.419 1.00 0.00 H new ATOM 0 HA SER A 29 5.129 -11.093 -1.473 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.683 -11.102 -1.487 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.643 -11.603 0.192 1.00 0.00 H new ATOM 0 HG SER A 29 7.831 -13.401 -1.258 1.00 0.00 H new ATOM 424 N ARG A 30 5.003 -11.023 1.772 1.00 0.00 N ATOM 425 CA ARG A 30 4.319 -11.567 2.949 1.00 0.00 C ATOM 426 C ARG A 30 2.869 -11.080 3.032 1.00 0.00 C ATOM 427 O ARG A 30 2.184 -11.322 4.041 1.00 0.00 O ATOM 428 CB ARG A 30 5.047 -11.123 4.204 1.00 0.00 C ATOM 429 CG ARG A 30 6.496 -11.550 4.284 1.00 0.00 C ATOM 430 CD ARG A 30 7.206 -10.739 5.343 1.00 0.00 C ATOM 431 NE ARG A 30 7.107 -9.305 5.034 1.00 0.00 N ATOM 432 CZ ARG A 30 7.483 -8.291 5.814 1.00 0.00 C ATOM 433 NH1 ARG A 30 8.123 -8.509 6.958 1.00 0.00 N ATOM 434 NH2 ARG A 30 7.213 -7.055 5.433 1.00 0.00 N ATOM 0 H ARG A 30 5.536 -10.173 1.954 1.00 0.00 H new ATOM 0 HA ARG A 30 4.319 -12.654 2.862 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.000 -10.036 4.269 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.519 -11.517 5.072 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.560 -12.612 4.521 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.981 -11.409 3.318 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.767 -10.939 6.320 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.253 -11.036 5.397 1.00 0.00 H new ATOM 0 HE ARG A 30 6.709 -9.060 4.127 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.333 -9.463 7.251 1.00 0.00 H new ATOM 0 HH12 ARG A 30 8.404 -7.722 7.543 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.724 -6.888 4.554 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.494 -6.268 6.018 1.00 0.00 H new ATOM 448 N LYS A 31 2.405 -10.385 1.973 1.00 0.00 N ATOM 449 CA LYS A 31 1.043 -9.815 1.904 1.00 0.00 C ATOM 450 C LYS A 31 0.894 -8.711 2.960 1.00 0.00 C ATOM 451 O LYS A 31 -0.179 -8.510 3.526 1.00 0.00 O ATOM 452 CB LYS A 31 -0.052 -10.903 2.104 1.00 0.00 C ATOM 453 CG LYS A 31 -0.106 -12.019 1.050 1.00 0.00 C ATOM 454 CD LYS A 31 -0.619 -11.539 -0.310 1.00 0.00 C ATOM 455 CE LYS A 31 -0.743 -12.715 -1.284 1.00 0.00 C ATOM 456 NZ LYS A 31 -1.277 -12.322 -2.613 1.00 0.00 N ATOM 0 H LYS A 31 2.965 -10.203 1.140 1.00 0.00 H new ATOM 0 HA LYS A 31 0.904 -9.394 0.908 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.097 -11.363 3.081 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -1.024 -10.409 2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 31 0.891 -12.442 0.926 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -0.750 -12.821 1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.589 -11.056 -0.189 1.00 0.00 H new ATOM 0 HD3 LYS A 31 0.061 -10.791 -0.718 1.00 0.00 H new ATOM 0 HE2 LYS A 31 0.237 -13.174 -1.415 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -1.394 -13.472 -0.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -1.830 -13.108 -3.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.888 -11.487 -2.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -0.488 -12.096 -3.251 1.00 0.00 H new ATOM 470 N VAL A 32 1.975 -7.994 3.196 1.00 0.00 N ATOM 471 CA VAL A 32 1.992 -6.900 4.157 1.00 0.00 C ATOM 472 C VAL A 32 2.081 -5.590 3.413 1.00 0.00 C ATOM 473 O VAL A 32 2.854 -5.468 2.463 1.00 0.00 O ATOM 474 CB VAL A 32 3.207 -7.011 5.132 1.00 0.00 C ATOM 475 CG1 VAL A 32 3.219 -5.881 6.158 1.00 0.00 C ATOM 476 CG2 VAL A 32 3.214 -8.347 5.837 1.00 0.00 C ATOM 0 H VAL A 32 2.868 -8.150 2.729 1.00 0.00 H new ATOM 0 HA VAL A 32 1.075 -6.951 4.744 1.00 0.00 H new ATOM 0 HB VAL A 32 4.109 -6.925 4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.080 -5.996 6.816 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.282 -4.922 5.643 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.304 -5.916 6.749 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.070 -8.399 6.510 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.294 -8.461 6.410 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.283 -9.147 5.100 1.00 0.00 H new ATOM 486 N CYS A 33 1.272 -4.649 3.810 1.00 0.00 N ATOM 487 CA CYS A 33 1.304 -3.326 3.256 1.00 0.00 C ATOM 488 C CYS A 33 2.450 -2.541 3.832 1.00 0.00 C ATOM 489 O CYS A 33 2.601 -2.457 5.060 1.00 0.00 O ATOM 490 CB CYS A 33 0.012 -2.586 3.543 1.00 0.00 C ATOM 491 SG CYS A 33 -1.341 -2.913 2.407 1.00 0.00 S ATOM 0 H CYS A 33 0.565 -4.780 4.534 1.00 0.00 H new ATOM 0 HA CYS A 33 1.430 -3.425 2.178 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.315 -2.840 4.551 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.218 -1.516 3.535 1.00 0.00 H new ATOM 496 N ASN A 34 3.261 -1.996 2.976 1.00 0.00 N ATOM 497 CA ASN A 34 4.355 -1.155 3.379 1.00 0.00 C ATOM 498 C ASN A 34 4.259 0.092 2.542 1.00 0.00 C ATOM 499 O ASN A 34 3.932 0.012 1.365 1.00 0.00 O ATOM 500 CB ASN A 34 5.717 -1.832 3.137 1.00 0.00 C ATOM 501 CG ASN A 34 5.823 -3.241 3.697 1.00 0.00 C ATOM 502 OD1 ASN A 34 6.174 -3.450 4.865 1.00 0.00 O ATOM 503 ND2 ASN A 34 5.541 -4.210 2.863 1.00 0.00 N ATOM 0 H ASN A 34 3.184 -2.122 1.967 1.00 0.00 H new ATOM 0 HA ASN A 34 4.291 -0.944 4.447 1.00 0.00 H new ATOM 0 HB2 ASN A 34 5.908 -1.865 2.064 1.00 0.00 H new ATOM 0 HB3 ASN A 34 6.499 -1.217 3.582 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.607 -5.181 3.168 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.255 -3.994 1.908 1.00 0.00 H new ATOM 510 N CYS A 35 4.491 1.225 3.115 1.00 0.00 N ATOM 511 CA CYS A 35 4.377 2.461 2.373 1.00 0.00 C ATOM 512 C CYS A 35 5.739 3.136 2.226 1.00 0.00 C ATOM 513 O CYS A 35 6.455 3.273 3.210 1.00 0.00 O ATOM 514 CB CYS A 35 3.381 3.398 3.059 1.00 0.00 C ATOM 515 SG CYS A 35 1.706 2.698 3.347 1.00 0.00 S ATOM 0 H CYS A 35 4.761 1.334 4.093 1.00 0.00 H new ATOM 0 HA CYS A 35 4.008 2.230 1.374 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.798 3.704 4.019 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.280 4.299 2.454 1.00 0.00 H new ATOM 520 N ARG A 36 6.085 3.518 0.971 1.00 0.00 N ATOM 521 CA ARG A 36 7.333 4.219 0.590 1.00 0.00 C ATOM 522 C ARG A 36 7.500 4.174 -0.942 1.00 0.00 C ATOM 523 O ARG A 36 8.047 5.092 -1.553 1.00 0.00 O ATOM 524 CB ARG A 36 8.576 3.578 1.243 1.00 0.00 C ATOM 525 CG ARG A 36 9.889 4.283 0.960 1.00 0.00 C ATOM 526 CD ARG A 36 11.041 3.564 1.639 1.00 0.00 C ATOM 527 NE ARG A 36 12.333 4.192 1.354 1.00 0.00 N ATOM 528 CZ ARG A 36 13.539 3.609 1.546 1.00 0.00 C ATOM 529 NH1 ARG A 36 13.629 2.390 2.093 1.00 0.00 N ATOM 530 NH2 ARG A 36 14.647 4.264 1.220 1.00 0.00 N ATOM 0 H ARG A 36 5.480 3.339 0.170 1.00 0.00 H new ATOM 0 HA ARG A 36 7.253 5.248 0.941 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.424 3.546 2.322 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.655 2.546 0.901 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.062 4.323 -0.115 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.838 5.313 1.313 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.875 3.552 2.716 1.00 0.00 H new ATOM 0 HD3 ARG A 36 11.064 2.525 1.309 1.00 0.00 H new ATOM 0 HE ARG A 36 12.323 5.142 0.982 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.783 1.891 2.370 1.00 0.00 H new ATOM 0 HH12 ARG A 36 14.543 1.960 2.233 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.587 5.203 0.826 1.00 0.00 H new ATOM 0 HH22 ARG A 36 15.558 3.828 1.363 1.00 0.00 H new ATOM 544 N ARG A 37 7.013 3.105 -1.553 1.00 0.00 N ATOM 545 CA ARG A 37 7.226 2.866 -2.970 1.00 0.00 C ATOM 546 C ARG A 37 5.908 2.632 -3.659 1.00 0.00 C ATOM 547 O ARG A 37 5.369 3.572 -4.252 1.00 0.00 O ATOM 548 CB ARG A 37 8.110 1.640 -3.173 1.00 0.00 C ATOM 549 CG ARG A 37 9.375 1.633 -2.354 1.00 0.00 C ATOM 550 CD ARG A 37 10.221 0.420 -2.667 1.00 0.00 C ATOM 551 NE ARG A 37 9.508 -0.846 -2.463 1.00 0.00 N ATOM 552 CZ ARG A 37 9.880 -2.020 -2.998 1.00 0.00 C ATOM 553 NH1 ARG A 37 10.904 -2.078 -3.837 1.00 0.00 N ATOM 554 NH2 ARG A 37 9.212 -3.128 -2.711 1.00 0.00 N ATOM 555 OXT ARG A 37 5.389 1.507 -3.578 1.00 0.00 O ATOM 0 H ARG A 37 6.464 2.385 -1.084 1.00 0.00 H new ATOM 0 HA ARG A 37 7.714 3.743 -3.395 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.532 0.748 -2.931 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.376 1.571 -4.228 1.00 0.00 H new ATOM 0 HG2 ARG A 37 9.946 2.540 -2.554 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.125 1.641 -1.293 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.559 0.477 -3.702 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.112 0.434 -2.039 1.00 0.00 H new ATOM 0 HE ARG A 37 8.674 -0.833 -1.876 1.00 0.00 H new ATOM 0 HH11 ARG A 37 11.414 -1.228 -4.079 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.183 -2.972 -4.241 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.411 -3.092 -2.081 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.499 -4.017 -3.120 1.00 0.00 H new TER 569 ARG A 37