USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 387 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 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 178:sc= 0 (180deg=-0.00204) USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -42:sc= 1.04 USER MOD Single : A 28 TYR OH : rot 0:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0165 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 23:sc= -1.64! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.493 -18.063 -7.499 0.01 0.01 N ATOM 2 CA ALA A 1 0.014 -18.897 -8.632 1.00 0.00 C ATOM 3 C ALA A 1 -1.509 -19.046 -8.574 1.00 0.00 C ATOM 4 O ALA A 1 -2.047 -19.422 -7.534 1.00 0.00 O ATOM 5 CB ALA A 1 0.715 -20.269 -8.662 1.00 0.00 C ATOM 0 H1 ALA A 1 1.528 -17.970 -7.550 0.01 0.01 H new ATOM 0 H2 ALA A 1 0.057 -17.120 -7.553 0.01 0.01 H new ATOM 0 H3 ALA A 1 0.230 -18.515 -6.600 0.01 0.01 H new ATOM 0 HA ALA A 1 0.273 -18.389 -9.561 1.00 0.00 H new ATOM 0 HB1 ALA A 1 0.339 -20.851 -9.504 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.790 -20.126 -8.771 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.512 -20.802 -7.733 1.00 0.00 H new ATOM 13 N LEU A 2 -2.194 -18.758 -9.690 1.00 0.00 N ATOM 14 CA LEU A 2 -3.659 -18.611 -9.863 1.00 0.00 C ATOM 15 C LEU A 2 -4.268 -17.479 -9.002 1.00 0.00 C ATOM 16 O LEU A 2 -4.648 -16.426 -9.518 1.00 0.00 O ATOM 17 CB LEU A 2 -4.423 -19.933 -9.620 1.00 0.00 C ATOM 18 CG LEU A 2 -4.292 -21.037 -10.681 1.00 0.00 C ATOM 19 CD1 LEU A 2 -2.904 -21.676 -10.725 1.00 0.00 C ATOM 20 CD2 LEU A 2 -5.302 -22.138 -10.353 1.00 0.00 C ATOM 0 H LEU A 2 -1.703 -18.608 -10.572 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.785 -18.331 -10.909 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.090 -20.343 -8.666 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -5.481 -19.694 -9.513 1.00 0.00 H new ATOM 0 HG LEU A 2 -4.472 -20.573 -11.651 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -2.882 -22.446 -11.496 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -2.159 -20.913 -10.953 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -2.679 -22.124 -9.757 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.227 -22.933 -11.094 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -5.090 -22.543 -9.363 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.310 -21.723 -10.367 1.00 0.00 H new ATOM 32 N VAL A 3 -4.323 -17.697 -7.690 1.00 0.00 N ATOM 33 CA VAL A 3 -4.723 -16.739 -6.645 1.00 0.00 C ATOM 34 C VAL A 3 -3.483 -16.173 -5.938 1.00 0.00 C ATOM 35 O VAL A 3 -2.364 -16.671 -6.123 1.00 0.00 O ATOM 36 CB VAL A 3 -5.669 -17.399 -5.614 1.00 0.00 C ATOM 37 CG1 VAL A 3 -6.947 -17.920 -6.285 1.00 0.00 C ATOM 38 CG2 VAL A 3 -5.021 -18.562 -4.848 1.00 0.00 C ATOM 0 H VAL A 3 -4.074 -18.604 -7.296 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.262 -15.923 -7.126 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.905 -16.609 -4.901 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -7.591 -18.378 -5.534 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -7.474 -17.091 -6.758 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -6.685 -18.661 -7.040 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -5.740 -18.978 -4.142 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.714 -19.335 -5.552 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -4.148 -18.199 -4.305 1.00 0.00 H new ATOM 48 N ASP A 4 -3.663 -15.143 -5.108 1.00 0.00 N ATOM 49 CA ASP A 4 -2.582 -14.560 -4.301 1.00 0.00 C ATOM 50 C ASP A 4 -3.121 -13.863 -3.043 1.00 0.00 C ATOM 51 O ASP A 4 -3.382 -12.661 -3.052 1.00 0.00 O ATOM 52 CB ASP A 4 -1.717 -13.628 -5.179 1.00 0.00 C ATOM 53 CG ASP A 4 -0.301 -13.416 -4.604 1.00 0.00 C ATOM 54 OD1 ASP A 4 -0.163 -13.268 -3.366 1.00 0.00 O ATOM 55 OD2 ASP A 4 0.670 -13.402 -5.399 1.00 0.00 O ATOM 0 H ASP A 4 -4.565 -14.686 -4.974 1.00 0.00 H new ATOM 0 HA ASP A 4 -1.941 -15.363 -3.938 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -1.639 -14.049 -6.181 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -2.214 -12.663 -5.276 1.00 0.00 H new ATOM 60 N GLU A 5 -3.350 -14.628 -1.966 1.00 0.00 N ATOM 61 CA GLU A 5 -3.873 -14.104 -0.678 1.00 0.00 C ATOM 62 C GLU A 5 -3.026 -12.977 -0.087 1.00 0.00 C ATOM 63 O GLU A 5 -3.585 -12.022 0.448 1.00 0.00 O ATOM 64 CB GLU A 5 -4.002 -15.200 0.389 1.00 0.00 C ATOM 65 CG GLU A 5 -5.238 -16.069 0.174 1.00 0.00 C ATOM 66 CD GLU A 5 -5.364 -17.093 1.297 1.00 0.00 C ATOM 67 OE1 GLU A 5 -5.654 -16.691 2.447 1.00 0.00 O ATOM 68 OE2 GLU A 5 -5.192 -18.302 1.024 1.00 0.00 O ATOM 0 H GLU A 5 -3.180 -15.634 -1.955 1.00 0.00 H new ATOM 0 HA GLU A 5 -4.856 -13.710 -0.935 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.111 -15.828 0.373 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.050 -14.740 1.376 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.130 -15.443 0.141 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.170 -16.579 -0.787 1.00 0.00 H new ATOM 75 N VAL A 6 -1.699 -13.049 -0.220 1.00 0.00 N ATOM 76 CA VAL A 6 -0.790 -11.955 0.177 1.00 0.00 C ATOM 77 C VAL A 6 -1.079 -10.690 -0.631 1.00 0.00 C ATOM 78 O VAL A 6 -1.320 -9.640 -0.036 1.00 0.00 O ATOM 79 CB VAL A 6 0.696 -12.353 0.039 1.00 0.00 C ATOM 80 CG1 VAL A 6 1.660 -11.165 0.188 1.00 0.00 C ATOM 81 CG2 VAL A 6 1.060 -13.377 1.122 1.00 0.00 C ATOM 0 H VAL A 6 -1.219 -13.863 -0.604 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.977 -11.752 1.231 1.00 0.00 H new ATOM 0 HB VAL A 6 0.806 -12.762 -0.965 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.687 -11.514 0.080 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.446 -10.424 -0.582 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.531 -10.713 1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.109 -13.655 1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.893 -12.940 2.107 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.437 -14.264 1.008 1.00 0.00 H new ATOM 91 N LYS A 7 -1.121 -10.785 -1.966 1.00 0.00 N ATOM 92 CA LYS A 7 -1.424 -9.641 -2.827 1.00 0.00 C ATOM 93 C LYS A 7 -2.796 -9.032 -2.477 1.00 0.00 C ATOM 94 O LYS A 7 -2.884 -7.825 -2.292 1.00 0.00 O ATOM 95 CB LYS A 7 -1.335 -10.033 -4.318 1.00 0.00 C ATOM 96 CG LYS A 7 -0.979 -8.849 -5.237 1.00 0.00 C ATOM 97 CD LYS A 7 -1.311 -9.105 -6.725 1.00 0.00 C ATOM 98 CE LYS A 7 -0.123 -9.554 -7.596 1.00 0.00 C ATOM 99 NZ LYS A 7 0.610 -8.415 -8.196 1.00 0.00 N ATOM 0 H LYS A 7 -0.947 -11.652 -2.474 1.00 0.00 H new ATOM 0 HA LYS A 7 -0.673 -8.872 -2.647 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.585 -10.815 -4.437 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.289 -10.455 -4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.516 -7.963 -4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.085 -8.632 -5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.089 -9.866 -6.781 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.727 -8.192 -7.150 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.564 -10.144 -6.989 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.486 -10.206 -8.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.398 -8.774 -8.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -0.036 -7.865 -8.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.982 -7.805 -7.440 1.00 0.00 H new ATOM 113 N ASP A 8 -3.849 -9.842 -2.312 1.00 0.00 N ATOM 114 CA ASP A 8 -5.223 -9.389 -2.022 1.00 0.00 C ATOM 115 C ASP A 8 -5.373 -8.697 -0.653 1.00 0.00 C ATOM 116 O ASP A 8 -6.048 -7.671 -0.557 1.00 0.00 O ATOM 117 CB ASP A 8 -6.187 -10.587 -2.136 1.00 0.00 C ATOM 118 CG ASP A 8 -7.658 -10.173 -2.373 1.00 0.00 C ATOM 119 OD1 ASP A 8 -8.345 -9.769 -1.404 1.00 0.00 O ATOM 120 OD2 ASP A 8 -8.136 -10.284 -3.528 1.00 0.00 O ATOM 0 H ASP A 8 -3.771 -10.857 -2.377 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.473 -8.629 -2.762 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.862 -11.229 -2.955 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.127 -11.180 -1.223 1.00 0.00 H new ATOM 125 N MET A 9 -4.703 -9.196 0.392 1.00 0.00 N ATOM 126 CA MET A 9 -4.665 -8.548 1.715 1.00 0.00 C ATOM 127 C MET A 9 -3.920 -7.206 1.679 1.00 0.00 C ATOM 128 O MET A 9 -4.469 -6.181 2.089 1.00 0.00 O ATOM 129 CB MET A 9 -3.998 -9.477 2.749 1.00 0.00 C ATOM 130 CG MET A 9 -5.029 -10.277 3.551 1.00 0.00 C ATOM 131 SD MET A 9 -5.869 -9.285 4.826 1.00 0.00 S ATOM 132 CE MET A 9 -7.575 -9.300 4.214 1.00 0.00 C ATOM 0 H MET A 9 -4.169 -10.064 0.347 1.00 0.00 H new ATOM 0 HA MET A 9 -5.698 -8.353 2.005 1.00 0.00 H new ATOM 0 HB2 MET A 9 -3.324 -10.164 2.237 1.00 0.00 H new ATOM 0 HB3 MET A 9 -3.390 -8.883 3.431 1.00 0.00 H new ATOM 0 HG2 MET A 9 -5.774 -10.686 2.868 1.00 0.00 H new ATOM 0 HG3 MET A 9 -4.533 -11.124 4.026 1.00 0.00 H new ATOM 0 HE1 MET A 9 -8.216 -8.761 4.911 1.00 0.00 H new ATOM 0 HE2 MET A 9 -7.615 -8.818 3.237 1.00 0.00 H new ATOM 0 HE3 MET A 9 -7.921 -10.330 4.125 1.00 0.00 H new ATOM 142 N GLU A 10 -2.685 -7.185 1.161 1.00 0.00 N ATOM 143 CA GLU A 10 -1.904 -5.944 0.981 1.00 0.00 C ATOM 144 C GLU A 10 -2.662 -4.905 0.140 1.00 0.00 C ATOM 145 O GLU A 10 -2.742 -3.747 0.526 1.00 0.00 O ATOM 146 CB GLU A 10 -0.546 -6.237 0.328 1.00 0.00 C ATOM 147 CG GLU A 10 0.365 -7.233 1.064 1.00 0.00 C ATOM 148 CD GLU A 10 1.481 -6.558 1.853 1.00 0.00 C ATOM 149 OE1 GLU A 10 1.188 -6.032 2.950 1.00 0.00 O ATOM 150 OE2 GLU A 10 2.652 -6.632 1.415 1.00 0.00 O ATOM 0 H GLU A 10 -2.195 -8.025 0.854 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.743 -5.529 1.976 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.725 -6.617 -0.678 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.007 -5.295 0.222 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.239 -7.834 1.744 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.805 -7.917 0.339 1.00 0.00 H new ATOM 157 N ILE A 11 -3.328 -5.315 -0.940 1.00 0.00 N ATOM 158 CA ILE A 11 -4.198 -4.456 -1.767 1.00 0.00 C ATOM 159 C ILE A 11 -5.365 -3.855 -0.961 1.00 0.00 C ATOM 160 O ILE A 11 -5.627 -2.654 -1.051 1.00 0.00 O ATOM 161 CB ILE A 11 -4.717 -5.259 -2.989 1.00 0.00 C ATOM 162 CG1 ILE A 11 -3.588 -5.403 -4.031 1.00 0.00 C ATOM 163 CG2 ILE A 11 -5.955 -4.609 -3.637 1.00 0.00 C ATOM 164 CD1 ILE A 11 -3.846 -6.486 -5.092 1.00 0.00 C ATOM 0 H ILE A 11 -3.281 -6.276 -1.278 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.601 -3.614 -2.118 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.022 -6.242 -2.631 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.447 -4.445 -4.532 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.657 -5.632 -3.513 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.278 -5.210 -4.487 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.761 -4.552 -2.905 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.702 -3.605 -3.977 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -3.006 -6.523 -5.786 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -3.957 -7.454 -4.604 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.758 -6.249 -5.639 1.00 0.00 H new ATOM 176 N ALA A 12 -6.062 -4.650 -0.145 1.00 0.00 N ATOM 177 CA ALA A 12 -7.120 -4.146 0.742 1.00 0.00 C ATOM 178 C ALA A 12 -6.596 -3.076 1.731 1.00 0.00 C ATOM 179 O ALA A 12 -7.278 -2.093 2.034 1.00 0.00 O ATOM 180 CB ALA A 12 -7.768 -5.329 1.468 1.00 0.00 C ATOM 0 H ALA A 12 -5.912 -5.657 -0.079 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.874 -3.642 0.137 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.554 -4.964 2.129 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.197 -6.014 0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -7.014 -5.852 2.056 1.00 0.00 H new ATOM 186 N ARG A 13 -5.344 -3.217 2.168 1.00 0.00 N ATOM 187 CA ARG A 13 -4.608 -2.215 2.935 1.00 0.00 C ATOM 188 C ARG A 13 -4.438 -0.867 2.183 1.00 0.00 C ATOM 189 O ARG A 13 -4.718 0.182 2.766 1.00 0.00 O ATOM 190 CB ARG A 13 -3.267 -2.840 3.370 1.00 0.00 C ATOM 191 CG ARG A 13 -3.180 -3.024 4.888 1.00 0.00 C ATOM 192 CD ARG A 13 -1.839 -3.654 5.292 1.00 0.00 C ATOM 193 NE ARG A 13 -1.941 -5.096 5.579 1.00 0.00 N ATOM 194 CZ ARG A 13 -1.380 -5.738 6.592 1.00 0.00 C ATOM 195 NH1 ARG A 13 -0.717 -5.124 7.538 1.00 0.00 N ATOM 196 NH2 ARG A 13 -1.474 -7.036 6.679 1.00 0.00 N ATOM 0 H ARG A 13 -4.798 -4.060 1.991 1.00 0.00 H new ATOM 0 HA ARG A 13 -5.186 -1.944 3.819 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.143 -3.806 2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.447 -2.205 3.035 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.296 -2.059 5.382 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.000 -3.656 5.228 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.116 -3.499 4.491 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.454 -3.141 6.173 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.499 -5.655 4.933 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -0.616 -4.109 7.514 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.301 -5.660 8.300 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.981 -7.560 5.965 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.041 -7.527 7.461 1.00 0.00 H new ATOM 210 N LEU A 14 -4.091 -0.856 0.886 1.00 0.00 N ATOM 211 CA LEU A 14 -4.059 0.362 0.044 1.00 0.00 C ATOM 212 C LEU A 14 -5.439 1.031 -0.076 1.00 0.00 C ATOM 213 O LEU A 14 -5.567 2.256 -0.008 1.00 0.00 O ATOM 214 CB LEU A 14 -3.567 0.003 -1.370 1.00 0.00 C ATOM 215 CG LEU A 14 -2.064 -0.234 -1.570 1.00 0.00 C ATOM 216 CD1 LEU A 14 -1.360 1.076 -1.905 1.00 0.00 C ATOM 217 CD2 LEU A 14 -1.325 -0.941 -0.434 1.00 0.00 C ATOM 0 H LEU A 14 -3.821 -1.700 0.382 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.381 1.065 0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.092 -0.897 -1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.871 0.804 -2.043 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.021 -0.936 -2.403 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.295 0.891 -2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.779 1.490 -2.822 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.502 1.784 -1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.272 -1.049 -0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.413 -0.352 0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.762 -1.927 -0.274 1.00 0.00 H new ATOM 229 N MET A 15 -6.483 0.213 -0.216 1.00 0.00 N ATOM 230 CA MET A 15 -7.876 0.666 -0.189 1.00 0.00 C ATOM 231 C MET A 15 -8.264 1.370 1.127 1.00 0.00 C ATOM 232 O MET A 15 -9.149 2.228 1.112 1.00 0.00 O ATOM 233 CB MET A 15 -8.822 -0.520 -0.451 1.00 0.00 C ATOM 234 CG MET A 15 -9.657 -0.296 -1.711 1.00 0.00 C ATOM 235 SD MET A 15 -10.920 -1.570 -1.983 1.00 0.00 S ATOM 236 CE MET A 15 -12.184 -0.556 -2.797 1.00 0.00 C ATOM 0 H MET A 15 -6.385 -0.793 -0.353 1.00 0.00 H new ATOM 0 HA MET A 15 -7.977 1.408 -0.981 1.00 0.00 H new ATOM 0 HB2 MET A 15 -8.240 -1.436 -0.556 1.00 0.00 H new ATOM 0 HB3 MET A 15 -9.482 -0.658 0.406 1.00 0.00 H new ATOM 0 HG2 MET A 15 -10.143 0.677 -1.646 1.00 0.00 H new ATOM 0 HG3 MET A 15 -8.994 -0.264 -2.575 1.00 0.00 H new ATOM 0 HE1 MET A 15 -13.046 -1.176 -3.042 1.00 0.00 H new ATOM 0 HE2 MET A 15 -12.493 0.247 -2.128 1.00 0.00 H new ATOM 0 HE3 MET A 15 -11.774 -0.128 -3.712 1.00 0.00 H new ATOM 246 N SER A 16 -7.599 1.069 2.249 1.00 0.00 N ATOM 247 CA SER A 16 -7.776 1.810 3.503 1.00 0.00 C ATOM 248 C SER A 16 -7.093 3.197 3.450 1.00 0.00 C ATOM 249 O SER A 16 -7.752 4.211 3.697 1.00 0.00 O ATOM 250 CB SER A 16 -7.244 0.968 4.673 1.00 0.00 C ATOM 251 OG SER A 16 -7.802 1.410 5.899 1.00 0.00 O ATOM 0 H SER A 16 -6.925 0.307 2.313 1.00 0.00 H new ATOM 0 HA SER A 16 -8.840 1.993 3.652 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.489 -0.082 4.513 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.157 1.039 4.715 1.00 0.00 H new ATOM 0 HG SER A 16 -7.454 0.862 6.633 1.00 0.00 H new ATOM 257 N LEU A 17 -5.805 3.275 3.056 1.00 0.00 N ATOM 258 CA LEU A 17 -5.086 4.558 2.887 1.00 0.00 C ATOM 259 C LEU A 17 -5.754 5.596 1.945 1.00 0.00 C ATOM 260 O LEU A 17 -5.477 6.793 2.073 1.00 0.00 O ATOM 261 CB LEU A 17 -3.616 4.332 2.454 1.00 0.00 C ATOM 262 CG LEU A 17 -2.637 3.955 3.587 1.00 0.00 C ATOM 263 CD1 LEU A 17 -2.778 2.512 4.039 1.00 0.00 C ATOM 264 CD2 LEU A 17 -1.191 4.341 3.249 1.00 0.00 C ATOM 0 H LEU A 17 -5.235 2.455 2.847 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.129 5.001 3.882 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.595 3.543 1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.254 5.241 1.973 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.921 4.554 4.452 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.063 2.309 4.836 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.790 2.343 4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.582 1.847 3.198 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.537 4.058 4.073 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.878 3.822 2.343 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.129 5.418 3.090 1.00 0.00 H new ATOM 276 N GLY A 18 -6.634 5.183 1.025 1.00 0.00 N ATOM 277 CA GLY A 18 -7.447 6.103 0.204 1.00 0.00 C ATOM 278 C GLY A 18 -6.893 6.344 -1.206 1.00 0.00 C ATOM 279 O GLY A 18 -6.781 7.489 -1.651 1.00 0.00 O ATOM 0 H GLY A 18 -6.807 4.198 0.824 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -8.457 5.702 0.122 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.525 7.060 0.720 1.00 0.00 H new ATOM 283 N LEU A 19 -6.500 5.264 -1.881 1.00 0.00 N ATOM 284 CA LEU A 19 -5.825 5.273 -3.190 1.00 0.00 C ATOM 285 C LEU A 19 -6.788 4.913 -4.344 1.00 0.00 C ATOM 286 O LEU A 19 -8.010 5.003 -4.190 1.00 0.00 O ATOM 287 CB LEU A 19 -4.539 4.435 -3.040 1.00 0.00 C ATOM 288 CG LEU A 19 -3.507 5.216 -2.191 1.00 0.00 C ATOM 289 CD1 LEU A 19 -2.519 4.284 -1.518 1.00 0.00 C ATOM 290 CD2 LEU A 19 -2.699 6.198 -3.042 1.00 0.00 C ATOM 0 H LEU A 19 -6.646 4.320 -1.522 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.509 6.271 -3.495 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.768 3.481 -2.565 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.122 4.211 -4.022 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.088 5.756 -1.443 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.810 4.868 -0.931 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.055 3.598 -0.862 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.981 3.715 -2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.986 6.726 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.161 5.651 -3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.374 6.917 -3.507 1.00 0.00 H new ATOM 302 N SER A 20 -6.268 4.607 -5.536 1.00 0.00 N ATOM 303 CA SER A 20 -7.059 4.241 -6.727 1.00 0.00 C ATOM 304 C SER A 20 -7.523 2.748 -6.670 1.00 0.00 C ATOM 305 O SER A 20 -7.645 2.181 -5.581 1.00 0.00 O ATOM 306 CB SER A 20 -6.170 4.477 -7.973 1.00 0.00 C ATOM 307 OG SER A 20 -5.539 5.749 -7.970 1.00 0.00 O ATOM 0 H SER A 20 -5.263 4.605 -5.710 1.00 0.00 H new ATOM 0 HA SER A 20 -7.959 4.854 -6.770 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.408 3.699 -8.022 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.780 4.382 -8.871 1.00 0.00 H new ATOM 0 HG SER A 20 -4.990 5.844 -8.776 1.00 0.00 H new ATOM 313 N ILE A 21 -7.717 2.077 -7.821 1.00 0.00 N ATOM 314 CA ILE A 21 -8.003 0.625 -7.914 1.00 0.00 C ATOM 315 C ILE A 21 -6.823 -0.196 -8.478 1.00 0.00 C ATOM 316 O ILE A 21 -6.019 -0.707 -7.704 1.00 0.00 O ATOM 317 CB ILE A 21 -9.357 0.366 -8.628 1.00 0.00 C ATOM 318 CG1 ILE A 21 -9.666 -1.154 -8.656 1.00 0.00 C ATOM 319 CG2 ILE A 21 -9.476 0.984 -10.041 1.00 0.00 C ATOM 320 CD1 ILE A 21 -11.047 -1.516 -9.212 1.00 0.00 C ATOM 0 H ILE A 21 -7.679 2.534 -8.732 1.00 0.00 H new ATOM 0 HA ILE A 21 -8.116 0.250 -6.897 1.00 0.00 H new ATOM 0 HB ILE A 21 -10.108 0.887 -8.034 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.905 -1.655 -9.255 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.583 -1.547 -7.643 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.455 0.750 -10.459 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -9.358 2.066 -9.976 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -8.699 0.572 -10.685 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -11.175 -2.598 -9.193 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -11.819 -1.049 -8.601 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.131 -1.159 -10.238 1.00 0.00 H new ATOM 332 N GLU A 22 -6.671 -0.281 -9.807 1.00 0.00 N ATOM 333 CA GLU A 22 -5.660 -1.152 -10.458 1.00 0.00 C ATOM 334 C GLU A 22 -4.277 -0.531 -10.360 1.00 0.00 C ATOM 335 O GLU A 22 -3.350 -1.175 -9.875 1.00 0.00 O ATOM 336 CB GLU A 22 -6.020 -1.499 -11.914 1.00 0.00 C ATOM 337 CG GLU A 22 -6.304 -2.995 -12.055 1.00 0.00 C ATOM 338 CD GLU A 22 -6.840 -3.316 -13.443 1.00 0.00 C ATOM 339 OE1 GLU A 22 -6.075 -3.196 -14.427 1.00 0.00 O ATOM 340 OE2 GLU A 22 -8.023 -3.711 -13.548 1.00 0.00 O ATOM 0 H GLU A 22 -7.241 0.248 -10.467 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.655 -2.097 -9.915 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.894 -0.926 -12.225 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.201 -1.215 -12.575 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.391 -3.562 -11.873 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.027 -3.305 -11.301 1.00 0.00 H new ATOM 347 N GLU A 23 -4.180 0.760 -10.694 1.00 0.00 N ATOM 348 CA GLU A 23 -2.988 1.600 -10.452 1.00 0.00 C ATOM 349 C GLU A 23 -2.527 1.537 -8.995 1.00 0.00 C ATOM 350 O GLU A 23 -1.338 1.403 -8.744 1.00 0.00 O ATOM 351 CB GLU A 23 -3.292 3.060 -10.824 1.00 0.00 C ATOM 352 CG GLU A 23 -2.056 3.957 -10.920 1.00 0.00 C ATOM 353 CD GLU A 23 -1.568 4.047 -12.361 1.00 0.00 C ATOM 354 OE1 GLU A 23 -0.834 3.137 -12.805 1.00 0.00 O ATOM 355 OE2 GLU A 23 -1.913 5.039 -13.041 1.00 0.00 O ATOM 0 H GLU A 23 -4.939 1.266 -11.149 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.184 1.211 -11.077 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.814 3.078 -11.781 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.972 3.477 -10.082 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.294 4.954 -10.548 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.263 3.561 -10.286 1.00 0.00 H new ATOM 362 N ALA A 24 -3.471 1.559 -8.050 1.00 0.00 N ATOM 363 CA ALA A 24 -3.159 1.398 -6.624 1.00 0.00 C ATOM 364 C ALA A 24 -2.493 0.048 -6.335 1.00 0.00 C ATOM 365 O ALA A 24 -1.436 0.023 -5.713 1.00 0.00 O ATOM 366 CB ALA A 24 -4.382 1.585 -5.733 1.00 0.00 C ATOM 0 H ALA A 24 -4.464 1.687 -8.247 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.450 2.190 -6.382 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.095 1.455 -4.689 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.787 2.587 -5.876 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.140 0.847 -5.995 1.00 0.00 H new ATOM 372 N THR A 25 -3.064 -1.061 -6.814 1.00 0.00 N ATOM 373 CA THR A 25 -2.483 -2.403 -6.625 1.00 0.00 C ATOM 374 C THR A 25 -1.084 -2.557 -7.249 1.00 0.00 C ATOM 375 O THR A 25 -0.170 -3.136 -6.651 1.00 0.00 O ATOM 376 CB THR A 25 -3.390 -3.529 -7.176 1.00 0.00 C ATOM 377 OG1 THR A 25 -3.344 -3.671 -8.580 1.00 0.00 O ATOM 378 CG2 THR A 25 -4.865 -3.404 -6.781 1.00 0.00 C ATOM 0 H THR A 25 -3.937 -1.060 -7.341 1.00 0.00 H new ATOM 0 HA THR A 25 -2.396 -2.503 -5.543 1.00 0.00 H new ATOM 0 HB THR A 25 -2.961 -4.412 -6.702 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.349 -2.785 -8.999 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.428 -4.233 -7.209 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.954 -3.427 -5.695 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.264 -2.462 -7.158 1.00 0.00 H new ATOM 386 N GLU A 26 -0.877 -1.987 -8.443 1.00 0.00 N ATOM 387 CA GLU A 26 0.414 -2.052 -9.136 1.00 0.00 C ATOM 388 C GLU A 26 1.436 -1.209 -8.389 1.00 0.00 C ATOM 389 O GLU A 26 2.450 -1.741 -7.970 1.00 0.00 O ATOM 390 CB GLU A 26 0.297 -1.611 -10.600 1.00 0.00 C ATOM 391 CG GLU A 26 1.468 -2.165 -11.411 1.00 0.00 C ATOM 392 CD GLU A 26 1.651 -1.362 -12.690 1.00 0.00 C ATOM 393 OE1 GLU A 26 0.825 -1.515 -13.618 1.00 0.00 O ATOM 394 OE2 GLU A 26 2.633 -0.590 -12.767 1.00 0.00 O ATOM 0 H GLU A 26 -1.595 -1.471 -8.952 1.00 0.00 H new ATOM 0 HA GLU A 26 0.747 -3.090 -9.146 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.645 -1.963 -11.020 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.285 -0.523 -10.660 1.00 0.00 H new ATOM 0 HG2 GLU A 26 2.381 -2.128 -10.816 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.288 -3.212 -11.654 1.00 0.00 H new ATOM 401 N PHE A 27 1.127 0.068 -8.152 1.00 0.00 N ATOM 402 CA PHE A 27 1.943 1.024 -7.390 1.00 0.00 C ATOM 403 C PHE A 27 2.340 0.544 -5.980 1.00 0.00 C ATOM 404 O PHE A 27 3.467 0.787 -5.548 1.00 0.00 O ATOM 405 CB PHE A 27 1.192 2.356 -7.281 1.00 0.00 C ATOM 406 CG PHE A 27 2.037 3.492 -6.742 1.00 0.00 C ATOM 407 CD1 PHE A 27 2.897 4.173 -7.626 1.00 0.00 C ATOM 408 CD2 PHE A 27 1.980 3.874 -5.384 1.00 0.00 C ATOM 409 CE1 PHE A 27 3.685 5.239 -7.166 1.00 0.00 C ATOM 410 CE2 PHE A 27 2.747 4.958 -4.939 1.00 0.00 C ATOM 411 CZ PHE A 27 3.603 5.642 -5.821 1.00 0.00 C ATOM 0 H PHE A 27 0.264 0.485 -8.500 1.00 0.00 H new ATOM 0 HA PHE A 27 2.876 1.134 -7.943 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.815 2.632 -8.266 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.325 2.222 -6.634 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.950 3.873 -8.662 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.349 3.334 -4.693 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.353 5.749 -7.844 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.681 5.272 -3.908 1.00 0.00 H new ATOM 0 HZ PHE A 27 4.195 6.473 -5.467 1.00 0.00 H new ATOM 421 N TYR A 28 1.427 -0.155 -5.294 1.00 0.00 N ATOM 422 CA TYR A 28 1.696 -0.850 -4.030 1.00 0.00 C ATOM 423 C TYR A 28 2.927 -1.743 -4.166 1.00 0.00 C ATOM 424 O TYR A 28 3.956 -1.450 -3.552 1.00 0.00 O ATOM 425 CB TYR A 28 0.450 -1.608 -3.529 1.00 0.00 C ATOM 426 CG TYR A 28 0.590 -3.057 -3.101 1.00 0.00 C ATOM 427 CD1 TYR A 28 1.434 -3.395 -2.035 1.00 0.00 C ATOM 428 CD2 TYR A 28 -0.111 -4.079 -3.766 1.00 0.00 C ATOM 429 CE1 TYR A 28 1.660 -4.744 -1.717 1.00 0.00 C ATOM 430 CE2 TYR A 28 0.157 -5.428 -3.485 1.00 0.00 C ATOM 431 CZ TYR A 28 1.078 -5.762 -2.483 1.00 0.00 C ATOM 432 OH TYR A 28 1.378 -7.067 -2.235 1.00 0.00 O ATOM 0 H TYR A 28 0.462 -0.255 -5.609 1.00 0.00 H new ATOM 0 HA TYR A 28 1.923 -0.110 -3.262 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.046 -1.053 -2.682 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.298 -1.570 -4.321 1.00 0.00 H new ATOM 0 HD1 TYR A 28 1.911 -2.617 -1.457 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.862 -3.824 -4.499 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.287 -4.998 -0.875 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.345 -6.207 -4.040 1.00 0.00 H new ATOM 0 HH TYR A 28 2.015 -7.121 -1.492 1.00 0.00 H new ATOM 442 N GLU A 29 2.847 -2.766 -5.028 1.00 0.00 N ATOM 443 CA GLU A 29 3.975 -3.655 -5.350 1.00 0.00 C ATOM 444 C GLU A 29 5.186 -2.935 -5.952 1.00 0.00 C ATOM 445 O GLU A 29 6.323 -3.351 -5.718 1.00 0.00 O ATOM 446 CB GLU A 29 3.486 -4.769 -6.293 1.00 0.00 C ATOM 447 CG GLU A 29 3.312 -6.115 -5.586 1.00 0.00 C ATOM 448 CD GLU A 29 4.585 -6.947 -5.675 1.00 0.00 C ATOM 449 OE1 GLU A 29 4.847 -7.504 -6.765 1.00 0.00 O ATOM 450 OE2 GLU A 29 5.300 -7.075 -4.656 1.00 0.00 O ATOM 0 H GLU A 29 1.990 -3.003 -5.527 1.00 0.00 H new ATOM 0 HA GLU A 29 4.327 -4.075 -4.407 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.536 -4.472 -6.736 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.197 -4.883 -7.111 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.054 -5.950 -4.540 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.484 -6.662 -6.036 1.00 0.00 H new ATOM 457 N ASN A 30 4.968 -1.867 -6.726 1.00 0.00 N ATOM 458 CA ASN A 30 6.015 -1.212 -7.502 1.00 0.00 C ATOM 459 C ASN A 30 6.942 -0.378 -6.621 1.00 0.00 C ATOM 460 O ASN A 30 8.157 -0.434 -6.835 1.00 0.00 O ATOM 461 CB ASN A 30 5.452 -0.400 -8.684 1.00 0.00 C ATOM 462 CG ASN A 30 5.955 -0.958 -10.009 1.00 0.00 C ATOM 463 OD1 ASN A 30 5.773 -2.128 -10.328 1.00 0.00 O ATOM 464 ND2 ASN A 30 6.625 -0.154 -10.811 1.00 0.00 N ATOM 0 H ASN A 30 4.051 -1.433 -6.829 1.00 0.00 H new ATOM 0 HA ASN A 30 6.621 -2.007 -7.937 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.363 -0.426 -8.663 1.00 0.00 H new ATOM 0 HB3 ASN A 30 5.748 0.645 -8.588 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.991 -0.505 -11.696 1.00 0.00 H new ATOM 0 HD22 ASN A 30 6.777 0.819 -10.547 1.00 0.00 H new ATOM 471 N ASP A 31 6.467 0.291 -5.561 1.00 0.00 N ATOM 472 CA ASP A 31 7.347 0.909 -4.557 1.00 0.00 C ATOM 473 C ASP A 31 7.928 -0.106 -3.563 1.00 0.00 C ATOM 474 O ASP A 31 9.138 -0.156 -3.340 1.00 0.00 O ATOM 475 CB ASP A 31 6.420 1.923 -3.815 1.00 0.00 C ATOM 476 CG ASP A 31 7.111 2.919 -2.862 1.00 0.00 C ATOM 477 OD1 ASP A 31 7.768 2.469 -1.898 1.00 0.00 O ATOM 478 OD2 ASP A 31 6.957 4.146 -3.069 1.00 0.00 O ATOM 0 H ASP A 31 5.472 0.419 -5.376 1.00 0.00 H new ATOM 0 HA ASP A 31 8.215 1.370 -5.027 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.870 2.493 -4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.685 1.357 -3.242 1.00 0.00 H new ATOM 483 N VAL A 32 7.014 -0.933 -3.041 1.00 0.00 N ATOM 484 CA VAL A 32 7.258 -1.836 -1.888 1.00 0.00 C ATOM 485 C VAL A 32 6.121 -2.809 -1.468 1.00 0.00 C ATOM 486 O VAL A 32 5.530 -3.499 -2.292 1.00 0.00 O ATOM 487 CB VAL A 32 7.755 -0.950 -0.703 1.00 0.00 C ATOM 488 CG1 VAL A 32 6.606 -0.187 -0.019 1.00 0.00 C ATOM 489 CG2 VAL A 32 8.694 -1.698 0.251 1.00 0.00 C ATOM 0 H VAL A 32 6.065 -1.002 -3.408 1.00 0.00 H new ATOM 0 HA VAL A 32 8.010 -2.552 -2.217 1.00 0.00 H new ATOM 0 HB VAL A 32 8.385 -0.170 -1.131 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.004 0.414 0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.119 0.464 -0.745 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.880 -0.899 0.374 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.005 -1.029 1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.173 -2.556 0.675 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.572 -2.041 -0.297 1.00 0.00 H new ATOM 499 N THR A 33 5.892 -2.932 -0.158 1.00 0.00 N ATOM 500 CA THR A 33 4.966 -3.804 0.545 1.00 0.00 C ATOM 501 C THR A 33 3.768 -3.064 1.158 1.00 0.00 C ATOM 502 O THR A 33 2.644 -3.322 0.747 1.00 0.00 O ATOM 503 CB THR A 33 5.720 -4.497 1.695 1.00 0.00 C ATOM 504 OG1 THR A 33 6.488 -3.566 2.443 1.00 0.00 O ATOM 505 CG2 THR A 33 6.698 -5.551 1.176 1.00 0.00 C ATOM 0 H THR A 33 6.413 -2.356 0.503 1.00 0.00 H new ATOM 0 HA THR A 33 4.580 -4.508 -0.192 1.00 0.00 H new ATOM 0 HB THR A 33 4.953 -4.959 2.316 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.954 -4.034 3.167 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.211 -6.017 2.017 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.151 -6.311 0.618 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.430 -5.077 0.522 1.00 0.00 H new ATOM 513 N TYR A 34 3.877 -2.234 2.209 1.00 0.00 N ATOM 514 CA TYR A 34 2.677 -1.668 2.854 1.00 0.00 C ATOM 515 C TYR A 34 3.134 -0.485 3.745 1.00 0.00 C ATOM 516 O TYR A 34 2.726 0.656 3.552 1.00 0.00 O ATOM 517 CB TYR A 34 1.870 -2.637 3.712 1.00 0.00 C ATOM 518 CG TYR A 34 0.922 -1.854 4.606 1.00 0.00 C ATOM 519 CD1 TYR A 34 -0.193 -1.186 4.063 1.00 0.00 C ATOM 520 CD2 TYR A 34 1.270 -1.637 5.949 1.00 0.00 C ATOM 521 CE1 TYR A 34 -1.015 -0.397 4.889 1.00 0.00 C ATOM 522 CE2 TYR A 34 0.447 -0.850 6.779 1.00 0.00 C ATOM 523 CZ TYR A 34 -0.710 -0.251 6.253 1.00 0.00 C ATOM 524 OH TYR A 34 -1.525 0.479 7.065 1.00 0.00 O ATOM 0 H TYR A 34 4.762 -1.944 2.624 1.00 0.00 H new ATOM 0 HA TYR A 34 2.008 -1.373 2.045 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.307 -3.320 3.076 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.540 -3.246 4.319 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.417 -1.280 3.011 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.173 -2.075 6.348 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -1.881 0.097 4.474 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.705 -0.707 7.818 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.166 0.475 7.977 1.00 0.00 H new ATOM 534 N GLU A 35 4.066 -0.769 4.664 1.00 0.00 N ATOM 535 CA GLU A 35 4.512 0.208 5.683 1.00 0.00 C ATOM 536 C GLU A 35 5.581 1.167 5.161 1.00 0.00 C ATOM 537 O GLU A 35 5.561 2.352 5.480 1.00 0.00 O ATOM 538 CB GLU A 35 4.986 -0.452 6.984 1.00 0.00 C ATOM 539 CG GLU A 35 4.705 0.449 8.194 1.00 0.00 C ATOM 540 CD GLU A 35 5.905 0.500 9.130 1.00 0.00 C ATOM 541 OE1 GLU A 35 6.782 1.367 8.924 1.00 0.00 O ATOM 542 OE2 GLU A 35 5.960 -0.317 10.075 1.00 0.00 O ATOM 0 H GLU A 35 4.533 -1.674 4.728 1.00 0.00 H new ATOM 0 HA GLU A 35 3.620 0.791 5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.482 -1.409 7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.054 -0.660 6.922 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.463 1.456 7.853 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.834 0.077 8.734 1.00 0.00 H new ATOM 549 N ARG A 36 6.459 0.684 4.280 1.00 0.00 N ATOM 550 CA ARG A 36 7.422 1.527 3.558 1.00 0.00 C ATOM 551 C ARG A 36 6.723 2.578 2.664 1.00 0.00 C ATOM 552 O ARG A 36 7.044 3.761 2.768 1.00 0.00 O ATOM 553 CB ARG A 36 8.369 0.641 2.728 1.00 0.00 C ATOM 554 CG ARG A 36 9.698 0.241 3.399 1.00 0.00 C ATOM 555 CD ARG A 36 9.866 -1.273 3.653 1.00 0.00 C ATOM 556 NE ARG A 36 11.184 -1.749 3.180 1.00 0.00 N ATOM 557 CZ ARG A 36 11.452 -2.786 2.399 1.00 0.00 C ATOM 558 NH1 ARG A 36 10.545 -3.647 2.019 1.00 0.00 N ATOM 559 NH2 ARG A 36 12.669 -2.980 1.968 1.00 0.00 N ATOM 0 H ARG A 36 6.525 -0.306 4.044 1.00 0.00 H new ATOM 0 HA ARG A 36 8.002 2.081 4.296 1.00 0.00 H new ATOM 0 HB2 ARG A 36 7.835 -0.270 2.458 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.599 1.163 1.799 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.522 0.584 2.773 1.00 0.00 H new ATOM 0 HG3 ARG A 36 9.781 0.766 4.351 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.762 -1.480 4.718 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.074 -1.821 3.143 1.00 0.00 H new ATOM 0 HE ARG A 36 11.991 -1.210 3.495 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.578 -3.537 2.325 1.00 0.00 H new ATOM 0 HH12 ARG A 36 10.804 -4.428 1.417 1.00 0.00 H new ATOM 0 HH21 ARG A 36 13.413 -2.334 2.232 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.876 -3.778 1.367 1.00 0.00 H new ATOM 573 N TYR A 37 5.748 2.202 1.818 1.00 0.00 N ATOM 574 CA TYR A 37 5.065 3.187 0.963 1.00 0.00 C ATOM 575 C TYR A 37 4.183 4.099 1.821 1.00 0.00 C ATOM 576 O TYR A 37 4.176 5.297 1.589 1.00 0.00 O ATOM 577 CB TYR A 37 4.270 2.573 -0.209 1.00 0.00 C ATOM 578 CG TYR A 37 2.797 2.343 0.057 1.00 0.00 C ATOM 579 CD1 TYR A 37 1.904 3.421 -0.070 1.00 0.00 C ATOM 580 CD2 TYR A 37 2.333 1.106 0.535 1.00 0.00 C ATOM 581 CE1 TYR A 37 0.573 3.296 0.341 1.00 0.00 C ATOM 582 CE2 TYR A 37 0.999 0.991 0.965 1.00 0.00 C ATOM 583 CZ TYR A 37 0.132 2.084 0.881 1.00 0.00 C ATOM 584 OH TYR A 37 -1.147 1.963 1.311 1.00 0.00 O ATOM 0 H TYR A 37 5.420 1.242 1.709 1.00 0.00 H new ATOM 0 HA TYR A 37 5.848 3.776 0.486 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.368 3.228 -1.075 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.727 1.620 -0.476 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.249 4.355 -0.489 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.994 0.253 0.572 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -0.108 4.128 0.242 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.642 0.052 1.363 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.707 2.631 0.863 1.00 0.00 H new ATOM 594 N LEU A 38 3.499 3.549 2.832 1.00 0.00 N ATOM 595 CA LEU A 38 2.747 4.354 3.800 1.00 0.00 C ATOM 596 C LEU A 38 3.625 5.490 4.358 1.00 0.00 C ATOM 597 O LEU A 38 3.185 6.635 4.371 1.00 0.00 O ATOM 598 CB LEU A 38 2.143 3.476 4.913 1.00 0.00 C ATOM 599 CG LEU A 38 1.469 4.286 6.046 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.279 3.532 6.632 1.00 0.00 C ATOM 601 CD2 LEU A 38 2.406 4.563 7.227 1.00 0.00 C ATOM 0 H LEU A 38 3.452 2.544 3.000 1.00 0.00 H new ATOM 0 HA LEU A 38 1.907 4.818 3.284 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.408 2.802 4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.930 2.855 5.341 1.00 0.00 H new ATOM 0 HG LEU A 38 1.170 5.222 5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.173 4.127 7.426 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.458 3.350 5.850 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.617 2.579 7.040 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.874 5.134 7.988 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.744 3.618 7.653 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.268 5.134 6.881 1.00 0.00 H new ATOM 613 N GLU A 39 4.874 5.200 4.746 1.00 0.00 N ATOM 614 CA GLU A 39 5.851 6.208 5.215 1.00 0.00 C ATOM 615 C GLU A 39 6.242 7.209 4.131 1.00 0.00 C ATOM 616 O GLU A 39 6.206 8.412 4.385 1.00 0.00 O ATOM 617 CB GLU A 39 7.118 5.537 5.769 1.00 0.00 C ATOM 618 CG GLU A 39 6.938 5.037 7.204 1.00 0.00 C ATOM 619 CD GLU A 39 7.574 6.006 8.195 1.00 0.00 C ATOM 620 OE1 GLU A 39 7.026 7.114 8.390 1.00 0.00 O ATOM 621 OE2 GLU A 39 8.624 5.654 8.781 1.00 0.00 O ATOM 0 H GLU A 39 5.245 4.250 4.745 1.00 0.00 H new ATOM 0 HA GLU A 39 5.349 6.759 6.010 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.391 4.699 5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.945 6.247 5.736 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.877 4.927 7.426 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.390 4.051 7.310 1.00 0.00 H new ATOM 628 N ILE A 40 6.571 6.756 2.919 1.00 0.00 N ATOM 629 CA ILE A 40 6.967 7.637 1.806 1.00 0.00 C ATOM 630 C ILE A 40 5.819 8.588 1.398 1.00 0.00 C ATOM 631 O ILE A 40 5.993 9.803 1.436 1.00 0.00 O ATOM 632 CB ILE A 40 7.500 6.785 0.623 1.00 0.00 C ATOM 633 CG1 ILE A 40 8.828 6.081 1.001 1.00 0.00 C ATOM 634 CG2 ILE A 40 7.734 7.669 -0.619 1.00 0.00 C ATOM 635 CD1 ILE A 40 9.130 4.841 0.146 1.00 0.00 C ATOM 0 H ILE A 40 6.572 5.765 2.676 1.00 0.00 H new ATOM 0 HA ILE A 40 7.780 8.284 2.136 1.00 0.00 H new ATOM 0 HB ILE A 40 6.748 6.030 0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.648 6.791 0.899 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.789 5.788 2.050 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.108 7.054 -1.438 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.795 8.136 -0.915 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.465 8.442 -0.383 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.074 4.400 0.466 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.329 4.112 0.267 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.202 5.131 -0.902 1.00 0.00 H new ATOM 647 N LEU A 41 4.635 8.054 1.086 1.00 0.00 N ATOM 648 CA LEU A 41 3.412 8.768 0.692 1.00 0.00 C ATOM 649 C LEU A 41 2.920 9.749 1.784 1.00 0.00 C ATOM 650 O LEU A 41 2.593 10.904 1.503 1.00 0.00 O ATOM 651 CB LEU A 41 2.334 7.730 0.304 1.00 0.00 C ATOM 652 CG LEU A 41 2.430 7.154 -1.133 1.00 0.00 C ATOM 653 CD1 LEU A 41 1.884 8.143 -2.155 1.00 0.00 C ATOM 654 CD2 LEU A 41 3.843 6.761 -1.575 1.00 0.00 C ATOM 0 H LEU A 41 4.493 7.044 1.102 1.00 0.00 H new ATOM 0 HA LEU A 41 3.631 9.395 -0.173 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.385 6.901 1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.354 8.191 0.424 1.00 0.00 H new ATOM 0 HG LEU A 41 1.832 6.244 -1.094 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.963 7.715 -3.154 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.838 8.356 -1.933 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.460 9.068 -2.110 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.810 6.369 -2.592 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.491 7.637 -1.544 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.235 5.997 -0.904 1.00 0.00 H new ATOM 666 N LYS A 42 2.924 9.302 3.041 1.00 0.00 N ATOM 667 CA LYS A 42 2.622 10.154 4.206 1.00 0.00 C ATOM 668 C LYS A 42 3.605 11.346 4.327 1.00 0.00 C ATOM 669 O LYS A 42 3.186 12.467 4.622 1.00 0.00 O ATOM 670 CB LYS A 42 2.576 9.315 5.493 1.00 0.00 C ATOM 671 CG LYS A 42 2.145 10.108 6.737 1.00 0.00 C ATOM 672 CD LYS A 42 2.210 9.218 7.989 1.00 0.00 C ATOM 673 CE LYS A 42 1.932 10.020 9.269 1.00 0.00 C ATOM 674 NZ LYS A 42 0.491 10.114 9.588 1.00 0.00 N ATOM 0 H LYS A 42 3.137 8.335 3.287 1.00 0.00 H new ATOM 0 HA LYS A 42 1.634 10.587 4.053 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.888 8.482 5.348 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.562 8.886 5.671 1.00 0.00 H new ATOM 0 HG2 LYS A 42 2.793 10.975 6.866 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.131 10.484 6.603 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.483 8.411 7.900 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.194 8.755 8.056 1.00 0.00 H new ATOM 0 HE2 LYS A 42 2.454 9.554 10.104 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.341 11.024 9.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.364 10.665 10.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.008 10.584 8.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.102 9.159 9.722 1.00 0.00 H new ATOM 688 N SER A 43 4.897 11.132 4.054 1.00 0.00 N ATOM 689 CA SER A 43 5.927 12.186 4.064 1.00 0.00 C ATOM 690 C SER A 43 5.902 13.112 2.820 1.00 0.00 C ATOM 691 O SER A 43 6.309 14.275 2.897 1.00 0.00 O ATOM 692 CB SER A 43 7.314 11.531 4.180 1.00 0.00 C ATOM 693 OG SER A 43 8.252 12.399 4.794 1.00 0.00 O ATOM 0 H SER A 43 5.265 10.211 3.816 1.00 0.00 H new ATOM 0 HA SER A 43 5.709 12.822 4.922 1.00 0.00 H new ATOM 0 HB2 SER A 43 7.235 10.611 4.760 1.00 0.00 H new ATOM 0 HB3 SER A 43 7.670 11.253 3.188 1.00 0.00 H new ATOM 0 HG SER A 43 9.122 11.951 4.853 1.00 0.00 H new ATOM 699 N LYS A 44 5.398 12.612 1.684 1.00 0.00 N ATOM 700 CA LYS A 44 5.222 13.332 0.410 1.00 0.00 C ATOM 701 C LYS A 44 4.376 12.538 -0.619 1.00 0.00 C ATOM 702 O LYS A 44 4.574 11.340 -0.805 1.00 0.00 O ATOM 703 CB LYS A 44 6.587 13.688 -0.222 1.00 0.00 C ATOM 704 CG LYS A 44 7.531 12.494 -0.510 1.00 0.00 C ATOM 705 CD LYS A 44 8.358 12.694 -1.797 1.00 0.00 C ATOM 706 CE LYS A 44 8.468 11.383 -2.591 1.00 0.00 C ATOM 707 NZ LYS A 44 8.888 11.621 -3.990 1.00 0.00 N ATOM 0 H LYS A 44 5.085 11.643 1.623 1.00 0.00 H new ATOM 0 HA LYS A 44 4.680 14.245 0.657 1.00 0.00 H new ATOM 0 HB2 LYS A 44 6.406 14.217 -1.158 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.103 14.382 0.441 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.206 12.356 0.335 1.00 0.00 H new ATOM 0 HG3 LYS A 44 6.941 11.582 -0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.893 13.461 -2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.355 13.053 -1.541 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.185 10.722 -2.104 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.506 10.871 -2.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.951 10.713 -4.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.191 12.231 -4.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.818 12.087 -3.999 1.00 0.00 H new ATOM 721 N GLN A 45 3.494 13.201 -1.371 1.00 0.00 N ATOM 722 CA GLN A 45 2.649 12.575 -2.410 1.00 0.00 C ATOM 723 C GLN A 45 2.677 13.397 -3.711 1.00 0.00 C ATOM 724 O GLN A 45 2.596 14.628 -3.676 1.00 0.00 O ATOM 725 CB GLN A 45 1.208 12.441 -1.877 1.00 0.00 C ATOM 726 CG GLN A 45 0.286 11.607 -2.782 1.00 0.00 C ATOM 727 CD GLN A 45 -1.182 11.754 -2.422 1.00 0.00 C ATOM 728 OE1 GLN A 45 -1.695 12.849 -2.223 1.00 0.00 O ATOM 729 NE2 GLN A 45 -1.916 10.664 -2.347 1.00 0.00 N ATOM 0 H GLN A 45 3.339 14.205 -1.279 1.00 0.00 H new ATOM 0 HA GLN A 45 3.041 11.585 -2.641 1.00 0.00 H new ATOM 0 HB2 GLN A 45 1.238 11.986 -0.887 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.781 13.437 -1.758 1.00 0.00 H new ATOM 0 HG2 GLN A 45 0.433 11.908 -3.819 1.00 0.00 H new ATOM 0 HG3 GLN A 45 0.569 10.557 -2.712 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -1.492 9.751 -2.512 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -2.909 10.732 -2.124 1.00 0.00 H new ATOM 738 N LYS A 46 2.791 12.723 -4.861 1.00 0.00 N ATOM 739 CA LYS A 46 2.621 13.344 -6.186 1.00 0.00 C ATOM 740 C LYS A 46 1.166 13.811 -6.460 1.00 0.00 C ATOM 741 O LYS A 46 0.256 13.591 -5.654 1.00 0.00 O ATOM 742 CB LYS A 46 3.137 12.395 -7.297 1.00 0.00 C ATOM 743 CG LYS A 46 4.371 12.995 -7.996 1.00 0.00 C ATOM 744 CD LYS A 46 4.730 12.312 -9.327 1.00 0.00 C ATOM 745 CE LYS A 46 3.813 12.787 -10.465 1.00 0.00 C ATOM 746 NZ LYS A 46 4.293 12.339 -11.791 1.00 0.00 N ATOM 0 H LYS A 46 3.005 11.727 -4.902 1.00 0.00 H new ATOM 0 HA LYS A 46 3.226 14.251 -6.193 1.00 0.00 H new ATOM 0 HB2 LYS A 46 3.392 11.427 -6.866 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.348 12.220 -8.028 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.192 14.054 -8.180 1.00 0.00 H new ATOM 0 HG3 LYS A 46 5.226 12.928 -7.323 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.768 12.527 -9.580 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.646 11.231 -9.217 1.00 0.00 H new ATOM 0 HE2 LYS A 46 2.804 12.409 -10.299 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.752 13.875 -10.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.645 12.682 -12.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.245 12.720 -11.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.327 11.300 -11.815 1.00 0.00 H new ATOM 760 N GLU A 47 0.938 14.437 -7.622 1.00 0.00 N ATOM 761 CA GLU A 47 -0.361 14.970 -8.082 1.00 0.00 C ATOM 762 C GLU A 47 -0.624 14.569 -9.536 1.00 0.00 C ATOM 763 O GLU A 47 0.253 14.814 -10.392 1.00 0.00 O ATOM 764 CB GLU A 47 -0.406 16.501 -7.898 1.00 0.00 C ATOM 765 CG GLU A 47 -1.680 17.004 -7.218 1.00 0.00 C ATOM 766 CD GLU A 47 -2.932 16.780 -8.057 1.00 0.00 C ATOM 767 OE1 GLU A 47 -3.050 17.408 -9.134 1.00 0.00 O ATOM 768 OE2 GLU A 47 -3.826 16.032 -7.601 1.00 0.00 O ATOM 769 OXT GLU A 47 -1.681 13.955 -9.793 1.00 0.00 O ATOM 0 H GLU A 47 1.683 14.595 -8.300 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.155 14.537 -7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.456 16.812 -7.308 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.314 16.978 -8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.797 16.499 -6.259 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.576 18.068 -7.007 1.00 0.00 H new TER 776 GLU A 47