USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 434 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 NoAdj-H: A 32 HIS HD1 : A 32 HIS ND1 : A 63 ZNZN :(H bumps) USER MOD Set 1.1: A 49 GLN : amide:sc= 1.06 X(o=2.3,f=2.1) USER MOD Set 1.2: A 54 THR OG1 : rot 34:sc= 1.22 USER MOD Single : A 1 GLY N :NH3+ -141:sc= 1.42 (180deg=-2.93!) USER MOD Single : A 5 SER OG : rot 180:sc= 0.0118 USER MOD Single : A 7 HIS : no HD1:sc= -0.444 X(o=-0.44,f=-0.38) USER MOD Single : A 8 HIS : no HD1:sc= 0.498 K(o=0.5,f=-3.2!) USER MOD Single : A 9 MET CE :methyl -170:sc= 0 (180deg=-0.173) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 105:sc= 1.24 USER MOD Single : A 30 SER OG : rot 162:sc= 1.65 USER MOD Single : A 31 TYR OH : rot -154:sc= 1.28 USER MOD Single : A 34 HIS :FLIP no HD1:sc= 0.128 F(o=-1.2,f=0.13) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 CYS SG : rot 72:sc= 0.0973 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 157:sc= 1.31 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.306 9.659 -1.199 1.00 0.00 N ATOM 2 CA GLY A 1 -7.952 9.332 0.096 1.00 0.00 C ATOM 3 C GLY A 1 -8.857 10.447 0.575 1.00 0.00 C ATOM 4 O GLY A 1 -9.947 10.635 0.029 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.272 8.807 -1.795 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.854 10.398 -1.683 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.339 10.001 -1.028 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.531 8.415 -0.009 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.185 9.140 0.846 1.00 0.00 H new ATOM 10 N PRO A 2 -8.420 11.227 1.579 1.00 0.00 N ATOM 11 CA PRO A 2 -9.193 12.347 2.124 1.00 0.00 C ATOM 12 C PRO A 2 -9.196 13.552 1.187 1.00 0.00 C ATOM 13 O PRO A 2 -8.614 14.596 1.490 1.00 0.00 O ATOM 14 CB PRO A 2 -8.473 12.694 3.438 1.00 0.00 C ATOM 15 CG PRO A 2 -7.436 11.638 3.632 1.00 0.00 C ATOM 16 CD PRO A 2 -7.137 11.086 2.271 1.00 0.00 C ATOM 0 HA PRO A 2 -10.241 12.082 2.262 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.017 13.683 3.384 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.173 12.711 4.273 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.538 12.054 4.088 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.798 10.855 4.298 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -6.344 11.644 1.773 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -6.814 10.046 2.318 1.00 0.00 H new ATOM 24 N LEU A 3 -9.836 13.387 0.042 1.00 0.00 N ATOM 25 CA LEU A 3 -9.917 14.438 -0.961 1.00 0.00 C ATOM 26 C LEU A 3 -11.264 14.365 -1.668 1.00 0.00 C ATOM 27 O LEU A 3 -11.351 14.470 -2.894 1.00 0.00 O ATOM 28 CB LEU A 3 -8.778 14.294 -1.975 1.00 0.00 C ATOM 29 CG LEU A 3 -7.494 15.052 -1.627 1.00 0.00 C ATOM 30 CD1 LEU A 3 -6.386 14.704 -2.607 1.00 0.00 C ATOM 31 CD2 LEU A 3 -7.752 16.550 -1.621 1.00 0.00 C ATOM 0 H LEU A 3 -10.313 12.524 -0.219 1.00 0.00 H new ATOM 0 HA LEU A 3 -9.822 15.407 -0.471 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.539 13.236 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.132 14.639 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.173 14.752 -0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -5.482 15.252 -2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -6.186 13.633 -2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -6.694 14.976 -3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.831 17.077 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -8.095 16.864 -2.607 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -8.516 16.785 -0.880 1.00 0.00 H new ATOM 43 N GLY A 4 -12.304 14.102 -0.886 1.00 0.00 N ATOM 44 CA GLY A 4 -13.629 13.936 -1.442 1.00 0.00 C ATOM 45 C GLY A 4 -13.849 12.526 -1.951 1.00 0.00 C ATOM 46 O GLY A 4 -13.343 11.568 -1.364 1.00 0.00 O ATOM 0 H GLY A 4 -12.250 14.001 0.128 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.375 14.169 -0.682 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.773 14.644 -2.258 1.00 0.00 H new ATOM 50 N SER A 5 -14.559 12.402 -3.064 1.00 0.00 N ATOM 51 CA SER A 5 -14.798 11.104 -3.682 1.00 0.00 C ATOM 52 C SER A 5 -13.542 10.621 -4.402 1.00 0.00 C ATOM 53 O SER A 5 -13.329 10.927 -5.578 1.00 0.00 O ATOM 54 CB SER A 5 -15.971 11.198 -4.658 1.00 0.00 C ATOM 55 OG SER A 5 -16.888 12.199 -4.249 1.00 0.00 O ATOM 0 H SER A 5 -14.981 13.187 -3.559 1.00 0.00 H new ATOM 0 HA SER A 5 -15.047 10.383 -2.904 1.00 0.00 H new ATOM 0 HB2 SER A 5 -15.601 11.425 -5.658 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.479 10.235 -4.717 1.00 0.00 H new ATOM 0 HG SER A 5 -17.630 12.244 -4.888 1.00 0.00 H new ATOM 61 N ASP A 6 -12.686 9.927 -3.670 1.00 0.00 N ATOM 62 CA ASP A 6 -11.416 9.465 -4.212 1.00 0.00 C ATOM 63 C ASP A 6 -11.382 7.946 -4.289 1.00 0.00 C ATOM 64 O ASP A 6 -12.192 7.264 -3.662 1.00 0.00 O ATOM 65 CB ASP A 6 -10.258 9.963 -3.346 1.00 0.00 C ATOM 66 CG ASP A 6 -8.986 10.192 -4.137 1.00 0.00 C ATOM 67 OD1 ASP A 6 -8.927 9.790 -5.322 1.00 0.00 O ATOM 68 OD2 ASP A 6 -8.042 10.784 -3.579 1.00 0.00 O ATOM 0 H ASP A 6 -12.847 9.670 -2.696 1.00 0.00 H new ATOM 0 HA ASP A 6 -11.311 9.868 -5.219 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.549 10.894 -2.859 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.063 9.237 -2.556 1.00 0.00 H new ATOM 73 N HIS A 7 -10.423 7.425 -5.034 1.00 0.00 N ATOM 74 CA HIS A 7 -10.249 5.989 -5.162 1.00 0.00 C ATOM 75 C HIS A 7 -9.120 5.518 -4.257 1.00 0.00 C ATOM 76 O HIS A 7 -9.360 5.072 -3.134 1.00 0.00 O ATOM 77 CB HIS A 7 -9.956 5.614 -6.616 1.00 0.00 C ATOM 78 CG HIS A 7 -10.332 4.209 -6.959 1.00 0.00 C ATOM 79 ND1 HIS A 7 -11.639 3.857 -7.206 1.00 0.00 N ATOM 80 CD2 HIS A 7 -9.546 3.114 -7.084 1.00 0.00 C ATOM 81 CE1 HIS A 7 -11.618 2.564 -7.475 1.00 0.00 C ATOM 82 NE2 HIS A 7 -10.374 2.074 -7.412 1.00 0.00 N ATOM 0 H HIS A 7 -9.749 7.979 -5.562 1.00 0.00 H new ATOM 0 HA HIS A 7 -11.173 5.496 -4.858 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -10.494 6.296 -7.274 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -8.893 5.755 -6.812 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -8.475 3.069 -6.951 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -12.492 1.977 -7.715 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -10.095 1.107 -7.577 1.00 0.00 H new ATOM 90 N HIS A 8 -7.888 5.703 -4.711 1.00 0.00 N ATOM 91 CA HIS A 8 -6.724 5.355 -3.911 1.00 0.00 C ATOM 92 C HIS A 8 -6.290 6.547 -3.062 1.00 0.00 C ATOM 93 O HIS A 8 -6.947 7.590 -3.057 1.00 0.00 O ATOM 94 CB HIS A 8 -5.573 4.868 -4.804 1.00 0.00 C ATOM 95 CG HIS A 8 -5.035 5.905 -5.752 1.00 0.00 C ATOM 96 ND1 HIS A 8 -5.868 6.636 -6.566 1.00 0.00 N ATOM 97 CD2 HIS A 8 -3.754 6.272 -5.988 1.00 0.00 C ATOM 98 CE1 HIS A 8 -5.078 7.425 -7.274 1.00 0.00 C ATOM 99 NE2 HIS A 8 -3.788 7.240 -6.961 1.00 0.00 N ATOM 0 H HIS A 8 -7.670 6.092 -5.628 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.995 4.538 -3.243 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -4.760 4.519 -4.168 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.917 4.010 -5.382 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -2.873 5.878 -5.503 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.428 8.131 -8.013 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -2.987 7.724 -7.367 1.00 0.00 H new ATOM 107 N MET A 9 -5.202 6.389 -2.329 1.00 0.00 N ATOM 108 CA MET A 9 -4.715 7.452 -1.465 1.00 0.00 C ATOM 109 C MET A 9 -3.478 8.112 -2.061 1.00 0.00 C ATOM 110 O MET A 9 -2.708 7.477 -2.778 1.00 0.00 O ATOM 111 CB MET A 9 -4.387 6.908 -0.071 1.00 0.00 C ATOM 112 CG MET A 9 -5.434 5.956 0.484 1.00 0.00 C ATOM 113 SD MET A 9 -4.755 4.331 0.880 1.00 0.00 S ATOM 114 CE MET A 9 -6.206 3.528 1.555 1.00 0.00 C ATOM 0 H MET A 9 -4.640 5.538 -2.314 1.00 0.00 H new ATOM 0 HA MET A 9 -5.505 8.198 -1.379 1.00 0.00 H new ATOM 0 HB2 MET A 9 -3.427 6.393 -0.110 1.00 0.00 H new ATOM 0 HB3 MET A 9 -4.272 7.746 0.617 1.00 0.00 H new ATOM 0 HG2 MET A 9 -5.875 6.390 1.381 1.00 0.00 H new ATOM 0 HG3 MET A 9 -6.238 5.842 -0.243 1.00 0.00 H new ATOM 0 HE1 MET A 9 -5.919 2.580 2.011 1.00 0.00 H new ATOM 0 HE2 MET A 9 -6.660 4.171 2.310 1.00 0.00 H new ATOM 0 HE3 MET A 9 -6.924 3.344 0.756 1.00 0.00 H new ATOM 124 N GLU A 10 -3.268 9.370 -1.704 1.00 0.00 N ATOM 125 CA GLU A 10 -2.092 10.120 -2.134 1.00 0.00 C ATOM 126 C GLU A 10 -0.920 9.803 -1.214 1.00 0.00 C ATOM 127 O GLU A 10 0.147 10.408 -1.305 1.00 0.00 O ATOM 128 CB GLU A 10 -2.363 11.635 -2.113 1.00 0.00 C ATOM 129 CG GLU A 10 -3.833 12.018 -1.971 1.00 0.00 C ATOM 130 CD GLU A 10 -4.365 11.817 -0.564 1.00 0.00 C ATOM 131 OE1 GLU A 10 -4.025 12.619 0.331 1.00 0.00 O ATOM 132 OE2 GLU A 10 -5.115 10.841 -0.350 1.00 0.00 O ATOM 0 H GLU A 10 -3.905 9.901 -1.110 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.854 9.826 -3.156 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.805 12.079 -1.289 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.975 12.073 -3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -3.960 13.063 -2.256 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -4.426 11.424 -2.666 1.00 0.00 H new ATOM 139 N PHE A 11 -1.163 8.883 -0.299 1.00 0.00 N ATOM 140 CA PHE A 11 -0.190 8.490 0.698 1.00 0.00 C ATOM 141 C PHE A 11 -0.384 7.023 1.045 1.00 0.00 C ATOM 142 O PHE A 11 -1.399 6.427 0.690 1.00 0.00 O ATOM 143 CB PHE A 11 -0.354 9.352 1.957 1.00 0.00 C ATOM 144 CG PHE A 11 -1.689 9.189 2.636 1.00 0.00 C ATOM 145 CD1 PHE A 11 -2.831 9.763 2.102 1.00 0.00 C ATOM 146 CD2 PHE A 11 -1.801 8.459 3.809 1.00 0.00 C ATOM 147 CE1 PHE A 11 -4.054 9.610 2.721 1.00 0.00 C ATOM 148 CE2 PHE A 11 -3.021 8.305 4.431 1.00 0.00 C ATOM 149 CZ PHE A 11 -4.149 8.882 3.887 1.00 0.00 C ATOM 0 H PHE A 11 -2.050 8.384 -0.228 1.00 0.00 H new ATOM 0 HA PHE A 11 0.814 8.636 0.299 1.00 0.00 H new ATOM 0 HB2 PHE A 11 0.436 9.100 2.664 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -0.219 10.400 1.689 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -2.763 10.337 1.190 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -0.921 8.005 4.241 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -4.937 10.061 2.292 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.094 7.733 5.344 1.00 0.00 H new ATOM 0 HZ PHE A 11 -5.106 8.763 4.374 1.00 0.00 H new ATOM 159 N CYS A 12 0.540 6.465 1.801 1.00 0.00 N ATOM 160 CA CYS A 12 0.389 5.106 2.267 1.00 0.00 C ATOM 161 C CYS A 12 -0.402 5.111 3.570 1.00 0.00 C ATOM 162 O CYS A 12 -0.076 5.859 4.491 1.00 0.00 O ATOM 163 CB CYS A 12 1.763 4.443 2.442 1.00 0.00 C ATOM 164 SG CYS A 12 2.173 3.992 4.141 1.00 0.00 S ATOM 0 H CYS A 12 1.397 6.929 2.103 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.160 4.521 1.529 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.800 3.546 1.824 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.529 5.121 2.066 1.00 0.00 H new ATOM 170 N ARG A 13 -1.517 4.385 3.587 1.00 0.00 N ATOM 171 CA ARG A 13 -2.450 4.419 4.719 1.00 0.00 C ATOM 172 C ARG A 13 -1.806 3.939 6.022 1.00 0.00 C ATOM 173 O ARG A 13 -2.398 4.061 7.093 1.00 0.00 O ATOM 174 CB ARG A 13 -3.688 3.571 4.412 1.00 0.00 C ATOM 175 CG ARG A 13 -3.371 2.143 3.996 1.00 0.00 C ATOM 176 CD ARG A 13 -3.948 1.132 4.974 1.00 0.00 C ATOM 177 NE ARG A 13 -5.386 0.953 4.789 1.00 0.00 N ATOM 178 CZ ARG A 13 -6.299 1.200 5.727 1.00 0.00 C ATOM 179 NH1 ARG A 13 -5.924 1.569 6.945 1.00 0.00 N ATOM 180 NH2 ARG A 13 -7.586 1.049 5.449 1.00 0.00 N ATOM 0 H ARG A 13 -1.800 3.763 2.830 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.740 5.460 4.860 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.328 3.548 5.294 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -4.258 4.052 3.617 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.773 1.956 3.000 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.291 2.013 3.933 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -3.444 0.174 4.846 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -3.752 1.461 5.994 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.712 0.617 3.883 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.933 1.665 7.166 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.627 1.757 7.660 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.875 0.745 4.519 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.288 1.237 6.165 1.00 0.00 H new ATOM 194 N VAL A 14 -0.614 3.371 5.930 1.00 0.00 N ATOM 195 CA VAL A 14 0.072 2.857 7.105 1.00 0.00 C ATOM 196 C VAL A 14 0.744 3.984 7.892 1.00 0.00 C ATOM 197 O VAL A 14 0.336 4.297 9.008 1.00 0.00 O ATOM 198 CB VAL A 14 1.120 1.792 6.724 1.00 0.00 C ATOM 199 CG1 VAL A 14 1.668 1.115 7.969 1.00 0.00 C ATOM 200 CG2 VAL A 14 0.519 0.767 5.770 1.00 0.00 C ATOM 0 H VAL A 14 -0.102 3.254 5.056 1.00 0.00 H new ATOM 0 HA VAL A 14 -0.684 2.391 7.737 1.00 0.00 H new ATOM 0 HB VAL A 14 1.946 2.287 6.214 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.406 0.366 7.681 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.138 1.860 8.611 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.853 0.632 8.509 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.273 0.024 5.512 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.326 0.275 6.250 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.180 1.269 4.864 1.00 0.00 H new ATOM 210 N CYS A 15 1.787 4.573 7.319 1.00 0.00 N ATOM 211 CA CYS A 15 2.536 5.627 7.998 1.00 0.00 C ATOM 212 C CYS A 15 1.954 7.007 7.697 1.00 0.00 C ATOM 213 O CYS A 15 2.439 8.017 8.207 1.00 0.00 O ATOM 214 CB CYS A 15 4.019 5.568 7.605 1.00 0.00 C ATOM 215 SG CYS A 15 4.408 6.231 5.949 1.00 0.00 S ATOM 0 H CYS A 15 2.134 4.340 6.388 1.00 0.00 H new ATOM 0 HA CYS A 15 2.452 5.459 9.072 1.00 0.00 H new ATOM 0 HB2 CYS A 15 4.597 6.120 8.346 1.00 0.00 H new ATOM 0 HB3 CYS A 15 4.350 4.531 7.651 1.00 0.00 H new ATOM 220 N LYS A 16 0.922 7.032 6.854 1.00 0.00 N ATOM 221 CA LYS A 16 0.238 8.266 6.458 1.00 0.00 C ATOM 222 C LYS A 16 1.145 9.170 5.619 1.00 0.00 C ATOM 223 O LYS A 16 0.810 10.322 5.349 1.00 0.00 O ATOM 224 CB LYS A 16 -0.289 9.021 7.683 1.00 0.00 C ATOM 225 CG LYS A 16 -1.573 8.435 8.245 1.00 0.00 C ATOM 226 CD LYS A 16 -2.705 9.445 8.217 1.00 0.00 C ATOM 227 CE LYS A 16 -2.890 10.112 9.569 1.00 0.00 C ATOM 228 NZ LYS A 16 -2.262 11.459 9.618 1.00 0.00 N ATOM 0 H LYS A 16 0.534 6.193 6.423 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.612 7.980 5.838 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.475 9.016 8.460 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.461 10.063 7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.855 7.555 7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.405 8.104 9.270 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.499 10.203 7.461 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.630 8.948 7.926 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.954 10.200 9.787 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.457 9.482 10.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.412 11.878 10.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.242 11.373 9.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.692 12.069 8.894 1.00 0.00 H new ATOM 242 N ASP A 17 2.277 8.632 5.186 1.00 0.00 N ATOM 243 CA ASP A 17 3.221 9.384 4.363 1.00 0.00 C ATOM 244 C ASP A 17 3.046 9.045 2.893 1.00 0.00 C ATOM 245 O ASP A 17 2.722 7.905 2.547 1.00 0.00 O ATOM 246 CB ASP A 17 4.656 9.067 4.771 1.00 0.00 C ATOM 247 CG ASP A 17 5.531 10.301 4.837 1.00 0.00 C ATOM 248 OD1 ASP A 17 5.048 11.355 5.303 1.00 0.00 O ATOM 249 OD2 ASP A 17 6.704 10.230 4.414 1.00 0.00 O ATOM 0 H ASP A 17 2.567 7.676 5.390 1.00 0.00 H new ATOM 0 HA ASP A 17 3.020 10.444 4.517 1.00 0.00 H new ATOM 0 HB2 ASP A 17 4.653 8.577 5.744 1.00 0.00 H new ATOM 0 HB3 ASP A 17 5.084 8.361 4.060 1.00 0.00 H new ATOM 254 N GLY A 18 3.337 10.010 2.034 1.00 0.00 N ATOM 255 CA GLY A 18 3.287 9.777 0.606 1.00 0.00 C ATOM 256 C GLY A 18 4.658 9.463 0.037 1.00 0.00 C ATOM 257 O GLY A 18 5.560 9.054 0.770 1.00 0.00 O ATOM 0 H GLY A 18 3.608 10.956 2.303 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.609 8.950 0.396 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.880 10.657 0.108 1.00 0.00 H new ATOM 261 N GLY A 19 4.818 9.653 -1.262 1.00 0.00 N ATOM 262 CA GLY A 19 6.091 9.389 -1.901 1.00 0.00 C ATOM 263 C GLY A 19 5.992 8.286 -2.930 1.00 0.00 C ATOM 264 O GLY A 19 5.083 8.287 -3.764 1.00 0.00 O ATOM 0 H GLY A 19 4.086 9.987 -1.889 1.00 0.00 H new ATOM 0 HA2 GLY A 19 6.452 10.299 -2.380 1.00 0.00 H new ATOM 0 HA3 GLY A 19 6.826 9.114 -1.144 1.00 0.00 H new ATOM 268 N GLU A 20 6.882 7.311 -2.828 1.00 0.00 N ATOM 269 CA GLU A 20 6.863 6.161 -3.717 1.00 0.00 C ATOM 270 C GLU A 20 5.912 5.105 -3.182 1.00 0.00 C ATOM 271 O GLU A 20 6.253 4.335 -2.282 1.00 0.00 O ATOM 272 CB GLU A 20 8.270 5.582 -3.882 1.00 0.00 C ATOM 273 CG GLU A 20 8.887 5.850 -5.247 1.00 0.00 C ATOM 274 CD GLU A 20 7.922 6.520 -6.206 1.00 0.00 C ATOM 275 OE1 GLU A 20 7.050 5.822 -6.767 1.00 0.00 O ATOM 276 OE2 GLU A 20 8.020 7.750 -6.396 1.00 0.00 O ATOM 0 H GLU A 20 7.630 7.294 -2.135 1.00 0.00 H new ATOM 0 HA GLU A 20 6.513 6.485 -4.697 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.918 6.001 -3.112 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.232 4.505 -3.716 1.00 0.00 H new ATOM 0 HG2 GLU A 20 9.768 6.481 -5.125 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.226 4.908 -5.679 1.00 0.00 H new ATOM 283 N LEU A 21 4.688 5.139 -3.675 1.00 0.00 N ATOM 284 CA LEU A 21 3.652 4.251 -3.189 1.00 0.00 C ATOM 285 C LEU A 21 3.368 3.145 -4.187 1.00 0.00 C ATOM 286 O LEU A 21 3.421 3.356 -5.402 1.00 0.00 O ATOM 287 CB LEU A 21 2.368 5.034 -2.904 1.00 0.00 C ATOM 288 CG LEU A 21 2.573 6.386 -2.226 1.00 0.00 C ATOM 289 CD1 LEU A 21 1.373 7.287 -2.469 1.00 0.00 C ATOM 290 CD2 LEU A 21 2.811 6.200 -0.736 1.00 0.00 C ATOM 0 H LEU A 21 4.388 5.775 -4.414 1.00 0.00 H new ATOM 0 HA LEU A 21 4.008 3.798 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.841 5.193 -3.845 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.720 4.424 -2.275 1.00 0.00 H new ATOM 0 HG LEU A 21 3.453 6.863 -2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.534 8.247 -1.979 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.246 7.443 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.477 6.818 -2.062 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.955 7.173 -0.266 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.949 5.706 -0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.700 5.588 -0.583 1.00 0.00 H new ATOM 302 N LEU A 22 2.988 1.996 -3.666 1.00 0.00 N ATOM 303 CA LEU A 22 2.577 0.878 -4.485 1.00 0.00 C ATOM 304 C LEU A 22 1.065 0.818 -4.522 1.00 0.00 C ATOM 305 O LEU A 22 0.412 0.823 -3.475 1.00 0.00 O ATOM 306 CB LEU A 22 3.137 -0.433 -3.928 1.00 0.00 C ATOM 307 CG LEU A 22 4.477 -0.875 -4.511 1.00 0.00 C ATOM 308 CD1 LEU A 22 4.476 -0.751 -6.027 1.00 0.00 C ATOM 309 CD2 LEU A 22 5.601 -0.058 -3.905 1.00 0.00 C ATOM 0 H LEU A 22 2.956 1.813 -2.663 1.00 0.00 H new ATOM 0 HA LEU A 22 2.965 1.015 -5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.246 -0.332 -2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.406 -1.223 -4.102 1.00 0.00 H new ATOM 0 HG LEU A 22 4.635 -1.925 -4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.441 -1.072 -6.419 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.689 -1.379 -6.443 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.297 0.287 -6.307 1.00 0.00 H new ATOM 0 HD21 LEU A 22 6.553 -0.380 -4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.444 0.998 -4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.615 -0.203 -2.825 1.00 0.00 H new ATOM 321 N CYS A 23 0.514 0.787 -5.719 1.00 0.00 N ATOM 322 CA CYS A 23 -0.922 0.710 -5.893 1.00 0.00 C ATOM 323 C CYS A 23 -1.357 -0.746 -5.935 1.00 0.00 C ATOM 324 O CYS A 23 -0.665 -1.591 -6.511 1.00 0.00 O ATOM 325 CB CYS A 23 -1.343 1.428 -7.176 1.00 0.00 C ATOM 326 SG CYS A 23 -0.950 3.195 -7.199 1.00 0.00 S ATOM 0 H CYS A 23 1.043 0.814 -6.591 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.408 1.201 -5.050 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -0.856 0.948 -8.025 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -2.417 1.304 -7.313 1.00 0.00 H new ATOM 0 HG CYS A 23 -1.343 3.712 -8.325 1.00 0.00 H new ATOM 332 N CYS A 24 -2.459 -1.039 -5.261 1.00 0.00 N ATOM 333 CA CYS A 24 -2.987 -2.390 -5.170 1.00 0.00 C ATOM 334 C CYS A 24 -3.175 -3.022 -6.546 1.00 0.00 C ATOM 335 O CYS A 24 -3.336 -2.326 -7.551 1.00 0.00 O ATOM 336 CB CYS A 24 -4.332 -2.356 -4.465 1.00 0.00 C ATOM 337 SG CYS A 24 -4.242 -2.159 -2.663 1.00 0.00 S ATOM 0 H CYS A 24 -3.013 -0.344 -4.761 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.268 -2.989 -4.612 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -4.922 -1.537 -4.877 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -4.867 -3.279 -4.689 1.00 0.00 H new ATOM 342 N ASP A 25 -3.307 -4.339 -6.557 1.00 0.00 N ATOM 343 CA ASP A 25 -3.601 -5.066 -7.785 1.00 0.00 C ATOM 344 C ASP A 25 -5.106 -5.163 -8.010 1.00 0.00 C ATOM 345 O ASP A 25 -5.562 -5.666 -9.036 1.00 0.00 O ATOM 346 CB ASP A 25 -2.998 -6.471 -7.738 1.00 0.00 C ATOM 347 CG ASP A 25 -2.914 -7.106 -9.110 1.00 0.00 C ATOM 348 OD1 ASP A 25 -2.338 -6.478 -10.022 1.00 0.00 O ATOM 349 OD2 ASP A 25 -3.419 -8.235 -9.287 1.00 0.00 O ATOM 0 H ASP A 25 -3.215 -4.928 -5.729 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.155 -4.515 -8.613 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.001 -6.422 -7.301 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.601 -7.101 -7.085 1.00 0.00 H new ATOM 354 N THR A 26 -5.877 -4.680 -7.044 1.00 0.00 N ATOM 355 CA THR A 26 -7.328 -4.737 -7.136 1.00 0.00 C ATOM 356 C THR A 26 -7.987 -3.644 -6.286 1.00 0.00 C ATOM 357 O THR A 26 -8.871 -2.928 -6.760 1.00 0.00 O ATOM 358 CB THR A 26 -7.860 -6.133 -6.720 1.00 0.00 C ATOM 359 OG1 THR A 26 -9.262 -6.074 -6.429 1.00 0.00 O ATOM 360 CG2 THR A 26 -7.109 -6.682 -5.513 1.00 0.00 C ATOM 0 H THR A 26 -5.523 -4.246 -6.192 1.00 0.00 H new ATOM 0 HA THR A 26 -7.592 -4.562 -8.179 1.00 0.00 H new ATOM 0 HB THR A 26 -7.695 -6.806 -7.562 1.00 0.00 H new ATOM 0 HG1 THR A 26 -9.580 -6.964 -6.170 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.509 -7.661 -5.250 1.00 0.00 H new ATOM 0 HG22 THR A 26 -6.050 -6.775 -5.755 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.230 -6.002 -4.669 1.00 0.00 H new ATOM 368 N CYS A 27 -7.604 -3.564 -5.018 1.00 0.00 N ATOM 369 CA CYS A 27 -8.206 -2.630 -4.082 1.00 0.00 C ATOM 370 C CYS A 27 -7.719 -1.192 -4.322 1.00 0.00 C ATOM 371 O CYS A 27 -6.847 -0.958 -5.156 1.00 0.00 O ATOM 372 CB CYS A 27 -7.874 -3.102 -2.671 1.00 0.00 C ATOM 373 SG CYS A 27 -6.938 -4.667 -2.638 1.00 0.00 S ATOM 0 H CYS A 27 -6.869 -4.144 -4.613 1.00 0.00 H new ATOM 0 HA CYS A 27 -9.286 -2.611 -4.225 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -7.296 -2.330 -2.163 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -8.800 -3.228 -2.110 1.00 0.00 H new ATOM 378 N PRO A 28 -8.359 -0.201 -3.684 1.00 0.00 N ATOM 379 CA PRO A 28 -8.043 1.206 -3.894 1.00 0.00 C ATOM 380 C PRO A 28 -7.119 1.773 -2.814 1.00 0.00 C ATOM 381 O PRO A 28 -7.384 2.838 -2.254 1.00 0.00 O ATOM 382 CB PRO A 28 -9.423 1.848 -3.811 1.00 0.00 C ATOM 383 CG PRO A 28 -10.167 1.023 -2.811 1.00 0.00 C ATOM 384 CD PRO A 28 -9.532 -0.350 -2.806 1.00 0.00 C ATOM 0 HA PRO A 28 -7.508 1.385 -4.827 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.357 2.889 -3.495 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.922 1.840 -4.780 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -10.113 1.476 -1.821 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.223 0.958 -3.074 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -9.242 -0.652 -1.800 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.218 -1.109 -3.182 1.00 0.00 H new ATOM 392 N SER A 29 -6.068 1.039 -2.480 1.00 0.00 N ATOM 393 CA SER A 29 -5.158 1.460 -1.424 1.00 0.00 C ATOM 394 C SER A 29 -3.757 1.737 -1.968 1.00 0.00 C ATOM 395 O SER A 29 -3.379 1.239 -3.030 1.00 0.00 O ATOM 396 CB SER A 29 -5.094 0.381 -0.341 1.00 0.00 C ATOM 397 OG SER A 29 -5.833 -0.765 -0.730 1.00 0.00 O ATOM 0 H SER A 29 -5.824 0.153 -2.922 1.00 0.00 H new ATOM 0 HA SER A 29 -5.539 2.388 -0.998 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.056 0.105 -0.157 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.490 0.775 0.595 1.00 0.00 H new ATOM 0 HG SER A 29 -5.215 -1.478 -0.995 1.00 0.00 H new ATOM 403 N SER A 30 -2.993 2.517 -1.218 1.00 0.00 N ATOM 404 CA SER A 30 -1.616 2.818 -1.571 1.00 0.00 C ATOM 405 C SER A 30 -0.700 2.523 -0.382 1.00 0.00 C ATOM 406 O SER A 30 -1.008 2.891 0.757 1.00 0.00 O ATOM 407 CB SER A 30 -1.483 4.281 -1.999 1.00 0.00 C ATOM 408 OG SER A 30 -2.729 4.813 -2.428 1.00 0.00 O ATOM 0 H SER A 30 -3.309 2.956 -0.353 1.00 0.00 H new ATOM 0 HA SER A 30 -1.319 2.188 -2.410 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.101 4.872 -1.166 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.755 4.360 -2.806 1.00 0.00 H new ATOM 0 HG SER A 30 -2.690 5.792 -2.411 1.00 0.00 H new ATOM 414 N TYR A 31 0.362 1.770 -0.624 1.00 0.00 N ATOM 415 CA TYR A 31 1.255 1.348 0.448 1.00 0.00 C ATOM 416 C TYR A 31 2.694 1.730 0.147 1.00 0.00 C ATOM 417 O TYR A 31 3.067 1.882 -1.009 1.00 0.00 O ATOM 418 CB TYR A 31 1.179 -0.169 0.639 1.00 0.00 C ATOM 419 CG TYR A 31 -0.171 -0.672 1.082 1.00 0.00 C ATOM 420 CD1 TYR A 31 -0.693 -0.319 2.316 1.00 0.00 C ATOM 421 CD2 TYR A 31 -0.918 -1.511 0.266 1.00 0.00 C ATOM 422 CE1 TYR A 31 -1.926 -0.782 2.725 1.00 0.00 C ATOM 423 CE2 TYR A 31 -2.151 -1.978 0.667 1.00 0.00 C ATOM 424 CZ TYR A 31 -2.652 -1.611 1.897 1.00 0.00 C ATOM 425 OH TYR A 31 -3.883 -2.072 2.297 1.00 0.00 O ATOM 0 H TYR A 31 0.628 1.438 -1.551 1.00 0.00 H new ATOM 0 HA TYR A 31 0.934 1.854 1.358 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.445 -0.655 -0.300 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.925 -0.468 1.375 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -0.125 0.329 2.968 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.527 -1.802 -0.698 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -2.321 -0.497 3.689 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.722 -2.628 0.021 1.00 0.00 H new ATOM 0 HH TYR A 31 -4.077 -2.920 1.846 1.00 0.00 H new ATOM 435 N HIS A 32 3.529 1.678 1.172 1.00 0.00 N ATOM 436 CA HIS A 32 4.965 1.769 0.977 1.00 0.00 C ATOM 437 C HIS A 32 5.529 0.361 1.015 1.00 0.00 C ATOM 438 O HIS A 32 4.952 -0.511 1.662 1.00 0.00 O ATOM 439 CB HIS A 32 5.626 2.604 2.073 1.00 0.00 C ATOM 440 CG HIS A 32 5.645 4.077 1.815 1.00 0.00 C ATOM 441 ND1 HIS A 32 5.156 4.960 2.736 1.00 0.00 N ATOM 442 CD2 HIS A 32 6.127 4.769 0.756 1.00 0.00 C ATOM 443 CE1 HIS A 32 5.344 6.165 2.238 1.00 0.00 C ATOM 444 NE2 HIS A 32 5.934 6.104 1.030 1.00 0.00 N ATOM 0 H HIS A 32 3.238 1.574 2.144 1.00 0.00 H new ATOM 0 HA HIS A 32 5.166 2.253 0.021 1.00 0.00 H new ATOM 0 HB2 HIS A 32 5.106 2.421 3.013 1.00 0.00 H new ATOM 0 HB3 HIS A 32 6.652 2.259 2.204 1.00 0.00 H new ATOM 0 HD2 HIS A 32 6.577 4.353 -0.133 1.00 0.00 H new ATOM 0 HE1 HIS A 32 5.062 7.082 2.734 1.00 0.00 H new ATOM 0 HE2 HIS A 32 6.188 6.892 0.435 1.00 0.00 H new ATOM 452 N ILE A 33 6.638 0.137 0.330 1.00 0.00 N ATOM 453 CA ILE A 33 7.247 -1.187 0.288 1.00 0.00 C ATOM 454 C ILE A 33 7.600 -1.688 1.686 1.00 0.00 C ATOM 455 O ILE A 33 7.441 -2.868 1.985 1.00 0.00 O ATOM 456 CB ILE A 33 8.515 -1.213 -0.591 1.00 0.00 C ATOM 457 CG1 ILE A 33 9.207 0.155 -0.589 1.00 0.00 C ATOM 458 CG2 ILE A 33 8.163 -1.639 -2.010 1.00 0.00 C ATOM 459 CD1 ILE A 33 10.551 0.156 -1.288 1.00 0.00 C ATOM 0 H ILE A 33 7.135 0.850 -0.204 1.00 0.00 H new ATOM 0 HA ILE A 33 6.501 -1.848 -0.152 1.00 0.00 H new ATOM 0 HB ILE A 33 9.211 -1.941 -0.174 1.00 0.00 H new ATOM 0 HG12 ILE A 33 8.555 0.883 -1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 33 9.343 0.483 0.442 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.066 -1.653 -2.620 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.721 -2.635 -1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.449 -0.934 -2.435 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.982 1.157 -1.247 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.220 -0.547 -0.792 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.420 -0.141 -2.329 1.00 0.00 H new ATOM 470 N HIS A 34 8.079 -0.791 2.537 1.00 0.00 N ATOM 471 CA HIS A 34 8.504 -1.170 3.880 1.00 0.00 C ATOM 472 C HIS A 34 7.472 -0.776 4.940 1.00 0.00 C ATOM 473 O HIS A 34 7.760 -0.816 6.137 1.00 0.00 O ATOM 474 CB HIS A 34 9.875 -0.550 4.203 1.00 0.00 C ATOM 475 CG HIS A 34 9.895 0.953 4.228 1.00 0.00 C ATOM 476 ND1 HIS A 34 9.586 1.842 3.250 1.00 0.00 N flip ATOM 477 CD2 HIS A 34 10.272 1.645 5.356 1.00 0.00 C flip ATOM 478 CE1 HIS A 34 9.774 3.092 3.777 1.00 0.00 C flip ATOM 479 NE2 HIS A 34 10.185 2.927 5.042 1.00 0.00 N flip ATOM 0 H HIS A 34 8.183 0.201 2.324 1.00 0.00 H new ATOM 0 HA HIS A 34 8.592 -2.256 3.902 1.00 0.00 H new ATOM 0 HB2 HIS A 34 10.206 -0.920 5.173 1.00 0.00 H new ATOM 0 HB3 HIS A 34 10.598 -0.897 3.465 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.577 1.227 6.304 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.620 4.033 3.269 1.00 0.00 H new ATOM 0 HE2 HIS A 34 10.403 3.692 5.681 1.00 0.00 H new ATOM 487 N CYS A 35 6.258 -0.456 4.510 1.00 0.00 N ATOM 488 CA CYS A 35 5.195 -0.114 5.447 1.00 0.00 C ATOM 489 C CYS A 35 4.213 -1.272 5.599 1.00 0.00 C ATOM 490 O CYS A 35 3.286 -1.219 6.408 1.00 0.00 O ATOM 491 CB CYS A 35 4.485 1.169 5.005 1.00 0.00 C ATOM 492 SG CYS A 35 5.425 2.677 5.406 1.00 0.00 S ATOM 0 H CYS A 35 5.986 -0.426 3.527 1.00 0.00 H new ATOM 0 HA CYS A 35 5.639 0.069 6.425 1.00 0.00 H new ATOM 0 HB2 CYS A 35 4.313 1.130 3.929 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.507 1.219 5.483 1.00 0.00 H new ATOM 497 N LEU A 36 4.513 -2.367 4.928 1.00 0.00 N ATOM 498 CA LEU A 36 3.755 -3.592 5.098 1.00 0.00 C ATOM 499 C LEU A 36 4.461 -4.492 6.102 1.00 0.00 C ATOM 500 O LEU A 36 5.629 -4.263 6.431 1.00 0.00 O ATOM 501 CB LEU A 36 3.601 -4.312 3.757 1.00 0.00 C ATOM 502 CG LEU A 36 3.087 -3.438 2.612 1.00 0.00 C ATOM 503 CD1 LEU A 36 3.785 -3.789 1.310 1.00 0.00 C ATOM 504 CD2 LEU A 36 1.582 -3.588 2.455 1.00 0.00 C ATOM 0 H LEU A 36 5.279 -2.434 4.258 1.00 0.00 H new ATOM 0 HA LEU A 36 2.761 -3.348 5.473 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.567 -4.728 3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.919 -5.152 3.888 1.00 0.00 H new ATOM 0 HG LEU A 36 3.311 -2.400 2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.403 -3.155 0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.858 -3.630 1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 36 3.596 -4.834 1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.237 -2.958 1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.341 -4.629 2.239 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.088 -3.285 3.378 1.00 0.00 H new ATOM 516 N ARG A 37 3.773 -5.526 6.569 1.00 0.00 N ATOM 517 CA ARG A 37 4.375 -6.475 7.501 1.00 0.00 C ATOM 518 C ARG A 37 5.578 -7.180 6.858 1.00 0.00 C ATOM 519 O ARG A 37 6.697 -7.065 7.364 1.00 0.00 O ATOM 520 CB ARG A 37 3.343 -7.489 7.995 1.00 0.00 C ATOM 521 CG ARG A 37 2.447 -6.950 9.098 1.00 0.00 C ATOM 522 CD ARG A 37 2.497 -7.826 10.338 1.00 0.00 C ATOM 523 NE ARG A 37 1.993 -9.175 10.074 1.00 0.00 N ATOM 524 CZ ARG A 37 2.709 -10.289 10.232 1.00 0.00 C ATOM 525 NH1 ARG A 37 3.951 -10.226 10.692 1.00 0.00 N ATOM 526 NH2 ARG A 37 2.173 -11.465 9.929 1.00 0.00 N ATOM 0 H ARG A 37 2.805 -5.729 6.321 1.00 0.00 H new ATOM 0 HA ARG A 37 4.733 -5.918 8.367 1.00 0.00 H new ATOM 0 HB2 ARG A 37 2.724 -7.804 7.155 1.00 0.00 H new ATOM 0 HB3 ARG A 37 3.862 -8.376 8.359 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.755 -5.937 9.355 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.421 -6.889 8.736 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.524 -7.886 10.699 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.907 -7.367 11.131 1.00 0.00 H new ATOM 0 HE ARG A 37 1.031 -9.269 9.748 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.363 -9.323 10.927 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.495 -11.081 10.811 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.217 -11.514 9.577 1.00 0.00 H new ATOM 0 HH22 ARG A 37 2.717 -12.319 10.048 1.00 0.00 H new ATOM 540 N PRO A 38 5.409 -7.809 5.672 1.00 0.00 N ATOM 541 CA PRO A 38 6.521 -8.368 4.912 1.00 0.00 C ATOM 542 C PRO A 38 7.249 -7.269 4.143 1.00 0.00 C ATOM 543 O PRO A 38 7.153 -7.181 2.917 1.00 0.00 O ATOM 544 CB PRO A 38 5.848 -9.358 3.945 1.00 0.00 C ATOM 545 CG PRO A 38 4.376 -9.253 4.200 1.00 0.00 C ATOM 546 CD PRO A 38 4.161 -7.954 4.917 1.00 0.00 C ATOM 0 HA PRO A 38 7.270 -8.845 5.545 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.083 -9.112 2.909 1.00 0.00 H new ATOM 0 HB3 PRO A 38 6.202 -10.374 4.119 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.817 -9.277 3.264 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.026 -10.091 4.802 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.005 -7.127 4.224 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.290 -7.989 5.572 1.00 0.00 H new ATOM 554 N ALA A 39 7.835 -6.347 4.900 1.00 0.00 N ATOM 555 CA ALA A 39 8.448 -5.147 4.347 1.00 0.00 C ATOM 556 C ALA A 39 9.469 -5.468 3.262 1.00 0.00 C ATOM 557 O ALA A 39 10.312 -6.356 3.422 1.00 0.00 O ATOM 558 CB ALA A 39 9.097 -4.332 5.455 1.00 0.00 C ATOM 0 H ALA A 39 7.898 -6.412 5.916 1.00 0.00 H new ATOM 0 HA ALA A 39 7.655 -4.562 3.882 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.552 -3.437 5.030 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.341 -4.043 6.185 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.864 -4.931 5.946 1.00 0.00 H new ATOM 564 N LEU A 40 9.406 -4.711 2.180 1.00 0.00 N ATOM 565 CA LEU A 40 10.351 -4.843 1.085 1.00 0.00 C ATOM 566 C LEU A 40 11.228 -3.599 1.012 1.00 0.00 C ATOM 567 O LEU A 40 10.808 -2.511 1.403 1.00 0.00 O ATOM 568 CB LEU A 40 9.615 -5.039 -0.245 1.00 0.00 C ATOM 569 CG LEU A 40 8.434 -6.009 -0.200 1.00 0.00 C ATOM 570 CD1 LEU A 40 7.134 -5.290 -0.530 1.00 0.00 C ATOM 571 CD2 LEU A 40 8.661 -7.166 -1.159 1.00 0.00 C ATOM 0 H LEU A 40 8.700 -3.989 2.036 1.00 0.00 H new ATOM 0 HA LEU A 40 10.975 -5.718 1.267 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.255 -4.069 -0.589 1.00 0.00 H new ATOM 0 HB3 LEU A 40 10.329 -5.395 -0.988 1.00 0.00 H new ATOM 0 HG LEU A 40 8.356 -6.408 0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.307 -5.999 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.964 -4.495 0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.199 -4.861 -1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.811 -7.847 -1.115 1.00 0.00 H new ATOM 0 HD22 LEU A 40 8.766 -6.782 -2.174 1.00 0.00 H new ATOM 0 HD23 LEU A 40 9.569 -7.699 -0.877 1.00 0.00 H new ATOM 583 N TYR A 41 12.440 -3.765 0.512 1.00 0.00 N ATOM 584 CA TYR A 41 13.376 -2.657 0.393 1.00 0.00 C ATOM 585 C TYR A 41 13.574 -2.295 -1.071 1.00 0.00 C ATOM 586 O TYR A 41 14.302 -1.356 -1.402 1.00 0.00 O ATOM 587 CB TYR A 41 14.718 -3.035 1.029 1.00 0.00 C ATOM 588 CG TYR A 41 14.824 -2.722 2.511 1.00 0.00 C ATOM 589 CD1 TYR A 41 13.747 -2.213 3.230 1.00 0.00 C ATOM 590 CD2 TYR A 41 16.018 -2.939 3.189 1.00 0.00 C ATOM 591 CE1 TYR A 41 13.859 -1.929 4.579 1.00 0.00 C ATOM 592 CE2 TYR A 41 16.135 -2.661 4.537 1.00 0.00 C ATOM 593 CZ TYR A 41 15.054 -2.158 5.227 1.00 0.00 C ATOM 594 OH TYR A 41 15.172 -1.872 6.569 1.00 0.00 O ATOM 0 H TYR A 41 12.801 -4.659 0.180 1.00 0.00 H new ATOM 0 HA TYR A 41 12.968 -1.792 0.916 1.00 0.00 H new ATOM 0 HB2 TYR A 41 14.887 -4.102 0.883 1.00 0.00 H new ATOM 0 HB3 TYR A 41 15.516 -2.511 0.502 1.00 0.00 H new ATOM 0 HD1 TYR A 41 12.808 -2.037 2.726 1.00 0.00 H new ATOM 0 HD2 TYR A 41 16.869 -3.332 2.652 1.00 0.00 H new ATOM 0 HE1 TYR A 41 13.015 -1.530 5.122 1.00 0.00 H new ATOM 0 HE2 TYR A 41 17.070 -2.837 5.048 1.00 0.00 H new ATOM 0 HH TYR A 41 16.078 -2.092 6.872 1.00 0.00 H new ATOM 604 N GLU A 42 12.910 -3.038 -1.938 1.00 0.00 N ATOM 605 CA GLU A 42 12.984 -2.805 -3.369 1.00 0.00 C ATOM 606 C GLU A 42 11.584 -2.689 -3.954 1.00 0.00 C ATOM 607 O GLU A 42 10.661 -3.375 -3.515 1.00 0.00 O ATOM 608 CB GLU A 42 13.746 -3.944 -4.048 1.00 0.00 C ATOM 609 CG GLU A 42 14.480 -3.524 -5.311 1.00 0.00 C ATOM 610 CD GLU A 42 14.900 -4.704 -6.161 1.00 0.00 C ATOM 611 OE1 GLU A 42 14.068 -5.604 -6.395 1.00 0.00 O ATOM 612 OE2 GLU A 42 16.068 -4.740 -6.599 1.00 0.00 O ATOM 0 H GLU A 42 12.307 -3.816 -1.672 1.00 0.00 H new ATOM 0 HA GLU A 42 13.517 -1.871 -3.546 1.00 0.00 H new ATOM 0 HB2 GLU A 42 14.465 -4.359 -3.342 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.045 -4.741 -4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 42 13.838 -2.868 -5.899 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.362 -2.945 -5.038 1.00 0.00 H new ATOM 619 N VAL A 43 11.430 -1.816 -4.935 1.00 0.00 N ATOM 620 CA VAL A 43 10.143 -1.618 -5.580 1.00 0.00 C ATOM 621 C VAL A 43 9.888 -2.721 -6.614 1.00 0.00 C ATOM 622 O VAL A 43 10.816 -3.171 -7.293 1.00 0.00 O ATOM 623 CB VAL A 43 10.057 -0.211 -6.237 1.00 0.00 C ATOM 624 CG1 VAL A 43 10.593 -0.216 -7.663 1.00 0.00 C ATOM 625 CG2 VAL A 43 8.629 0.313 -6.208 1.00 0.00 C ATOM 0 H VAL A 43 12.181 -1.232 -5.303 1.00 0.00 H new ATOM 0 HA VAL A 43 9.367 -1.675 -4.817 1.00 0.00 H new ATOM 0 HB VAL A 43 10.687 0.457 -5.650 1.00 0.00 H new ATOM 0 HG11 VAL A 43 10.514 0.786 -8.085 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.638 -0.527 -7.658 1.00 0.00 H new ATOM 0 HG13 VAL A 43 10.011 -0.911 -8.268 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.593 1.298 -6.673 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.980 -0.370 -6.755 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.289 0.387 -5.175 1.00 0.00 H new ATOM 635 N PRO A 44 8.661 -3.263 -6.659 1.00 0.00 N ATOM 636 CA PRO A 44 8.307 -4.356 -7.572 1.00 0.00 C ATOM 637 C PRO A 44 8.382 -3.922 -9.038 1.00 0.00 C ATOM 638 O PRO A 44 8.286 -2.734 -9.350 1.00 0.00 O ATOM 639 CB PRO A 44 6.862 -4.700 -7.188 1.00 0.00 C ATOM 640 CG PRO A 44 6.683 -4.147 -5.818 1.00 0.00 C ATOM 641 CD PRO A 44 7.546 -2.923 -5.762 1.00 0.00 C ATOM 0 HA PRO A 44 8.991 -5.200 -7.482 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.152 -4.258 -7.887 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.696 -5.777 -7.203 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.639 -3.899 -5.629 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.981 -4.872 -5.061 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.011 -2.036 -6.101 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.891 -2.719 -4.749 1.00 0.00 H new ATOM 649 N ASP A 45 8.534 -4.890 -9.927 1.00 0.00 N ATOM 650 CA ASP A 45 8.617 -4.616 -11.357 1.00 0.00 C ATOM 651 C ASP A 45 7.244 -4.265 -11.921 1.00 0.00 C ATOM 652 O ASP A 45 7.105 -3.326 -12.705 1.00 0.00 O ATOM 653 CB ASP A 45 9.196 -5.827 -12.094 1.00 0.00 C ATOM 654 CG ASP A 45 8.927 -5.792 -13.585 1.00 0.00 C ATOM 655 OD1 ASP A 45 9.514 -4.940 -14.281 1.00 0.00 O ATOM 656 OD2 ASP A 45 8.144 -6.633 -14.074 1.00 0.00 O ATOM 0 H ASP A 45 8.603 -5.878 -9.684 1.00 0.00 H new ATOM 0 HA ASP A 45 9.278 -3.762 -11.505 1.00 0.00 H new ATOM 0 HB2 ASP A 45 10.272 -5.869 -11.925 1.00 0.00 H new ATOM 0 HB3 ASP A 45 8.771 -6.739 -11.674 1.00 0.00 H new ATOM 661 N GLY A 46 6.234 -5.020 -11.510 1.00 0.00 N ATOM 662 CA GLY A 46 4.889 -4.772 -11.980 1.00 0.00 C ATOM 663 C GLY A 46 3.872 -5.678 -11.321 1.00 0.00 C ATOM 664 O GLY A 46 2.833 -5.215 -10.850 1.00 0.00 O ATOM 0 H GLY A 46 6.324 -5.800 -10.859 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.625 -3.732 -11.786 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.852 -4.914 -13.060 1.00 0.00 H new ATOM 668 N GLU A 47 4.157 -6.971 -11.308 1.00 0.00 N ATOM 669 CA GLU A 47 3.248 -7.958 -10.739 1.00 0.00 C ATOM 670 C GLU A 47 3.309 -7.954 -9.212 1.00 0.00 C ATOM 671 O GLU A 47 3.961 -8.804 -8.603 1.00 0.00 O ATOM 672 CB GLU A 47 3.585 -9.349 -11.273 1.00 0.00 C ATOM 673 CG GLU A 47 2.849 -9.703 -12.550 1.00 0.00 C ATOM 674 CD GLU A 47 2.234 -11.081 -12.495 1.00 0.00 C ATOM 675 OE1 GLU A 47 2.911 -12.055 -12.880 1.00 0.00 O ATOM 676 OE2 GLU A 47 1.071 -11.202 -12.064 1.00 0.00 O ATOM 0 H GLU A 47 5.018 -7.365 -11.688 1.00 0.00 H new ATOM 0 HA GLU A 47 2.233 -7.693 -11.036 1.00 0.00 H new ATOM 0 HB2 GLU A 47 4.658 -9.410 -11.453 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.348 -10.090 -10.509 1.00 0.00 H new ATOM 0 HG2 GLU A 47 2.067 -8.966 -12.732 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.540 -9.649 -13.391 1.00 0.00 H new ATOM 683 N TRP A 48 2.616 -7.006 -8.603 1.00 0.00 N ATOM 684 CA TRP A 48 2.585 -6.892 -7.154 1.00 0.00 C ATOM 685 C TRP A 48 1.201 -7.235 -6.619 1.00 0.00 C ATOM 686 O TRP A 48 0.185 -6.917 -7.240 1.00 0.00 O ATOM 687 CB TRP A 48 2.979 -5.474 -6.719 1.00 0.00 C ATOM 688 CG TRP A 48 3.092 -5.307 -5.231 1.00 0.00 C ATOM 689 CD1 TRP A 48 3.997 -5.912 -4.408 1.00 0.00 C ATOM 690 CD2 TRP A 48 2.269 -4.485 -4.389 1.00 0.00 C ATOM 691 NE1 TRP A 48 3.793 -5.518 -3.108 1.00 0.00 N ATOM 692 CE2 TRP A 48 2.738 -4.645 -3.069 1.00 0.00 C ATOM 693 CE3 TRP A 48 1.183 -3.632 -4.617 1.00 0.00 C ATOM 694 CZ2 TRP A 48 2.162 -3.982 -1.986 1.00 0.00 C ATOM 695 CZ3 TRP A 48 0.615 -2.975 -3.540 1.00 0.00 C ATOM 696 CH2 TRP A 48 1.106 -3.154 -2.240 1.00 0.00 C ATOM 0 H TRP A 48 2.065 -6.301 -9.092 1.00 0.00 H new ATOM 0 HA TRP A 48 3.304 -7.599 -6.741 1.00 0.00 H new ATOM 0 HB2 TRP A 48 3.933 -5.215 -7.178 1.00 0.00 H new ATOM 0 HB3 TRP A 48 2.240 -4.769 -7.100 1.00 0.00 H new ATOM 0 HD1 TRP A 48 4.763 -6.601 -4.732 1.00 0.00 H new ATOM 0 HE1 TRP A 48 4.338 -5.825 -2.303 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.796 -3.489 -5.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 2.537 -4.118 -0.983 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.222 -2.312 -3.704 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.640 -2.626 -1.421 1.00 0.00 H new ATOM 707 N GLN A 49 1.172 -7.831 -5.442 1.00 0.00 N ATOM 708 CA GLN A 49 -0.069 -8.136 -4.757 1.00 0.00 C ATOM 709 C GLN A 49 0.067 -7.727 -3.304 1.00 0.00 C ATOM 710 O GLN A 49 1.135 -7.890 -2.714 1.00 0.00 O ATOM 711 CB GLN A 49 -0.397 -9.625 -4.862 1.00 0.00 C ATOM 712 CG GLN A 49 -1.772 -9.905 -5.444 1.00 0.00 C ATOM 713 CD GLN A 49 -2.831 -10.046 -4.375 1.00 0.00 C ATOM 714 OE1 GLN A 49 -3.082 -11.142 -3.872 1.00 0.00 O ATOM 715 NE2 GLN A 49 -3.461 -8.942 -4.015 1.00 0.00 N ATOM 0 H GLN A 49 2.009 -8.117 -4.934 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.885 -7.584 -5.223 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.356 -10.112 -5.481 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.333 -10.073 -3.871 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.048 -9.097 -6.121 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.734 -10.819 -6.037 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.224 -8.053 -4.455 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -4.184 -8.979 -3.297 1.00 0.00 H new ATOM 724 N CYS A 50 -0.946 -7.053 -2.788 1.00 0.00 N ATOM 725 CA CYS A 50 -0.868 -6.468 -1.469 1.00 0.00 C ATOM 726 C CYS A 50 -0.981 -7.515 -0.370 1.00 0.00 C ATOM 727 O CYS A 50 -2.042 -8.105 -0.160 1.00 0.00 O ATOM 728 CB CYS A 50 -1.973 -5.439 -1.319 1.00 0.00 C ATOM 729 SG CYS A 50 -3.388 -5.709 -2.429 1.00 0.00 S ATOM 0 H CYS A 50 -1.833 -6.899 -3.267 1.00 0.00 H new ATOM 0 HA CYS A 50 0.109 -5.995 -1.364 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -2.326 -5.447 -0.288 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.561 -4.448 -1.507 1.00 0.00 H new ATOM 734 N PRO A 51 0.073 -7.657 0.441 1.00 0.00 N ATOM 735 CA PRO A 51 0.058 -8.530 1.609 1.00 0.00 C ATOM 736 C PRO A 51 -0.642 -7.865 2.793 1.00 0.00 C ATOM 737 O PRO A 51 -0.173 -7.930 3.929 1.00 0.00 O ATOM 738 CB PRO A 51 1.544 -8.721 1.894 1.00 0.00 C ATOM 739 CG PRO A 51 2.167 -7.430 1.481 1.00 0.00 C ATOM 740 CD PRO A 51 1.337 -6.900 0.340 1.00 0.00 C ATOM 0 HA PRO A 51 -0.482 -9.462 1.444 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.723 -8.930 2.949 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.953 -9.559 1.329 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.182 -6.723 2.311 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.201 -7.580 1.171 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.169 -5.827 0.433 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.826 -7.064 -0.620 1.00 0.00 H new ATOM 748 N ARG A 52 -1.719 -7.148 2.497 1.00 0.00 N ATOM 749 CA ARG A 52 -2.442 -6.392 3.507 1.00 0.00 C ATOM 750 C ARG A 52 -3.945 -6.595 3.359 1.00 0.00 C ATOM 751 O ARG A 52 -4.580 -7.212 4.214 1.00 0.00 O ATOM 752 CB ARG A 52 -2.102 -4.903 3.403 1.00 0.00 C ATOM 753 CG ARG A 52 -1.363 -4.358 4.615 1.00 0.00 C ATOM 754 CD ARG A 52 -2.118 -4.630 5.906 1.00 0.00 C ATOM 755 NE ARG A 52 -3.087 -3.577 6.209 1.00 0.00 N ATOM 756 CZ ARG A 52 -2.899 -2.632 7.128 1.00 0.00 C ATOM 757 NH1 ARG A 52 -1.743 -2.555 7.779 1.00 0.00 N ATOM 758 NH2 ARG A 52 -3.860 -1.749 7.380 1.00 0.00 N ATOM 0 H ARG A 52 -2.112 -7.075 1.558 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.137 -6.757 4.488 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -1.493 -4.740 2.514 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.024 -4.338 3.266 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -0.373 -4.810 4.671 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.217 -3.284 4.499 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.635 -5.586 5.828 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.409 -4.717 6.729 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.961 -3.566 5.684 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -0.998 -3.221 7.575 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -1.601 -1.830 8.483 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.742 -1.795 6.869 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.716 -1.025 8.084 1.00 0.00 H new ATOM 772 N CYS A 53 -4.514 -6.038 2.296 1.00 0.00 N ATOM 773 CA CYS A 53 -5.945 -6.117 2.069 1.00 0.00 C ATOM 774 C CYS A 53 -6.368 -7.529 1.678 1.00 0.00 C ATOM 775 O CYS A 53 -7.436 -8.000 2.074 1.00 0.00 O ATOM 776 CB CYS A 53 -6.334 -5.127 0.979 1.00 0.00 C ATOM 777 SG CYS A 53 -4.966 -4.043 0.460 1.00 0.00 S ATOM 0 H CYS A 53 -4.001 -5.526 1.578 1.00 0.00 H new ATOM 0 HA CYS A 53 -6.460 -5.865 2.996 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -6.699 -5.678 0.112 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -7.159 -4.511 1.336 1.00 0.00 H new ATOM 782 N THR A 54 -5.527 -8.197 0.905 1.00 0.00 N ATOM 783 CA THR A 54 -5.818 -9.546 0.460 1.00 0.00 C ATOM 784 C THR A 54 -4.911 -10.555 1.164 1.00 0.00 C ATOM 785 O THR A 54 -4.047 -10.175 1.956 1.00 0.00 O ATOM 786 CB THR A 54 -5.657 -9.668 -1.068 1.00 0.00 C ATOM 787 OG1 THR A 54 -4.513 -8.925 -1.506 1.00 0.00 O ATOM 788 CG2 THR A 54 -6.897 -9.157 -1.782 1.00 0.00 C ATOM 0 H THR A 54 -4.637 -7.825 0.574 1.00 0.00 H new ATOM 0 HA THR A 54 -6.854 -9.766 0.718 1.00 0.00 H new ATOM 0 HB THR A 54 -5.519 -10.722 -1.311 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.814 -8.966 -0.820 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.762 -9.252 -2.859 1.00 0.00 H new ATOM 0 HG22 THR A 54 -7.763 -9.742 -1.472 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.057 -8.109 -1.528 1.00 0.00 H new ATOM 796 N CYS A 55 -5.134 -11.837 0.905 1.00 0.00 N ATOM 797 CA CYS A 55 -4.354 -12.893 1.541 1.00 0.00 C ATOM 798 C CYS A 55 -3.008 -13.074 0.844 1.00 0.00 C ATOM 799 O CYS A 55 -2.954 -13.381 -0.351 1.00 0.00 O ATOM 800 CB CYS A 55 -5.143 -14.204 1.520 1.00 0.00 C ATOM 801 SG CYS A 55 -6.936 -13.974 1.431 1.00 0.00 S ATOM 0 H CYS A 55 -5.849 -12.172 0.259 1.00 0.00 H new ATOM 0 HA CYS A 55 -4.162 -12.606 2.575 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -4.819 -14.799 0.666 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -4.903 -14.776 2.416 1.00 0.00 H new ATOM 0 HG CYS A 55 -7.261 -13.556 0.244 1.00 0.00 H new ATOM 807 N PRO A 56 -1.901 -12.873 1.580 1.00 0.00 N ATOM 808 CA PRO A 56 -0.546 -13.008 1.044 1.00 0.00 C ATOM 809 C PRO A 56 -0.156 -14.470 0.839 1.00 0.00 C ATOM 810 O PRO A 56 0.648 -15.024 1.590 1.00 0.00 O ATOM 811 CB PRO A 56 0.347 -12.364 2.119 1.00 0.00 C ATOM 812 CG PRO A 56 -0.584 -11.751 3.116 1.00 0.00 C ATOM 813 CD PRO A 56 -1.879 -12.495 2.994 1.00 0.00 C ATOM 0 HA PRO A 56 -0.451 -12.538 0.065 1.00 0.00 H new ATOM 0 HB2 PRO A 56 0.988 -13.109 2.591 1.00 0.00 H new ATOM 0 HB3 PRO A 56 1.002 -11.610 1.682 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -0.182 -11.833 4.126 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.725 -10.689 2.915 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -1.908 -13.367 3.647 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.732 -11.870 3.259 1.00 0.00 H new ATOM 821 N ALA A 57 -0.778 -15.111 -0.137 1.00 0.00 N ATOM 822 CA ALA A 57 -0.541 -16.524 -0.391 1.00 0.00 C ATOM 823 C ALA A 57 0.342 -16.719 -1.617 1.00 0.00 C ATOM 824 O ALA A 57 0.490 -17.835 -2.119 1.00 0.00 O ATOM 825 CB ALA A 57 -1.863 -17.256 -0.561 1.00 0.00 C ATOM 0 H ALA A 57 -1.451 -14.676 -0.767 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.017 -16.943 0.468 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -1.672 -18.312 -0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.456 -17.152 0.348 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.410 -16.829 -1.402 1.00 0.00 H new ATOM 831 N LEU A 58 0.934 -15.633 -2.090 1.00 0.00 N ATOM 832 CA LEU A 58 1.814 -15.685 -3.244 1.00 0.00 C ATOM 833 C LEU A 58 2.774 -14.502 -3.222 1.00 0.00 C ATOM 834 O LEU A 58 2.757 -13.708 -2.275 1.00 0.00 O ATOM 835 CB LEU A 58 0.995 -15.682 -4.539 1.00 0.00 C ATOM 836 CG LEU A 58 1.573 -16.515 -5.687 1.00 0.00 C ATOM 837 CD1 LEU A 58 1.945 -17.909 -5.208 1.00 0.00 C ATOM 838 CD2 LEU A 58 0.578 -16.596 -6.837 1.00 0.00 C ATOM 0 H LEU A 58 0.819 -14.702 -1.689 1.00 0.00 H new ATOM 0 HA LEU A 58 2.393 -16.608 -3.203 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.007 -16.049 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.889 -14.652 -4.879 1.00 0.00 H new ATOM 0 HG LEU A 58 2.478 -16.024 -6.043 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.353 -18.483 -6.040 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.692 -17.835 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.057 -18.410 -4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.003 -17.191 -7.645 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.343 -17.063 -6.489 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.361 -15.592 -7.202 1.00 0.00 H new ATOM 850 N LYS A 59 3.598 -14.398 -4.266 1.00 0.00 N ATOM 851 CA LYS A 59 4.588 -13.326 -4.409 1.00 0.00 C ATOM 852 C LYS A 59 5.746 -13.496 -3.432 1.00 0.00 C ATOM 853 O LYS A 59 6.857 -13.839 -3.834 1.00 0.00 O ATOM 854 CB LYS A 59 3.947 -11.943 -4.240 1.00 0.00 C ATOM 855 CG LYS A 59 4.102 -11.050 -5.460 1.00 0.00 C ATOM 856 CD LYS A 59 2.762 -10.767 -6.114 1.00 0.00 C ATOM 857 CE LYS A 59 2.620 -11.498 -7.437 1.00 0.00 C ATOM 858 NZ LYS A 59 1.207 -11.859 -7.720 1.00 0.00 N ATOM 0 H LYS A 59 3.598 -15.060 -5.042 1.00 0.00 H new ATOM 0 HA LYS A 59 4.986 -13.397 -5.421 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.886 -12.067 -4.023 1.00 0.00 H new ATOM 0 HB3 LYS A 59 4.393 -11.447 -3.378 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.571 -10.111 -5.168 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.766 -11.528 -6.180 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.958 -11.069 -5.443 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.655 -9.695 -6.277 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.003 -10.870 -8.242 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.229 -12.402 -7.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 1.152 -12.356 -8.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 0.849 -12.479 -6.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.630 -10.995 -7.761 1.00 0.00 H new ATOM 872 N GLY A 60 5.493 -13.269 -2.155 1.00 0.00 N ATOM 873 CA GLY A 60 6.541 -13.395 -1.166 1.00 0.00 C ATOM 874 C GLY A 60 6.011 -13.770 0.196 1.00 0.00 C ATOM 875 O GLY A 60 5.763 -12.903 1.034 1.00 0.00 O ATOM 0 H GLY A 60 4.582 -13.000 -1.785 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.256 -14.149 -1.494 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.083 -12.452 -1.094 1.00 0.00 H new ATOM 879 N LYS A 61 5.872 -15.063 0.432 1.00 0.00 N ATOM 880 CA LYS A 61 5.421 -15.560 1.720 1.00 0.00 C ATOM 881 C LYS A 61 6.475 -16.478 2.320 1.00 0.00 C ATOM 882 O LYS A 61 7.183 -17.159 1.547 1.00 0.00 O ATOM 883 CB LYS A 61 4.088 -16.299 1.572 1.00 0.00 C ATOM 884 CG LYS A 61 3.465 -16.710 2.899 1.00 0.00 C ATOM 885 CD LYS A 61 3.077 -15.500 3.737 1.00 0.00 C ATOM 886 CE LYS A 61 3.683 -15.567 5.130 1.00 0.00 C ATOM 887 NZ LYS A 61 5.063 -15.016 5.167 1.00 0.00 N ATOM 888 OXT LYS A 61 6.605 -16.508 3.562 1.00 0.00 O ATOM 0 H LYS A 61 6.066 -15.791 -0.256 1.00 0.00 H new ATOM 0 HA LYS A 61 5.270 -14.714 2.390 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.387 -15.661 1.034 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.242 -17.189 0.962 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.582 -17.322 2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.169 -17.328 3.456 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.409 -14.590 3.238 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.991 -15.443 3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.053 -15.013 5.826 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.698 -16.603 5.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.292 -14.719 6.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.737 -15.747 4.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.127 -14.197 4.530 1.00 0.00 H new TER 902 LYS A 61 HETATM 903 ZN ZN A 62 -4.878 -4.149 -1.819 1.00 0.00 ZN HETATM 904 ZN ZN A 63 4.322 4.490 4.486 1.00 0.00 ZN