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 180:sc= 0 (180deg=0) USER MOD Single : A 15 MET CE :methyl 173:sc= 0 (180deg=-0.0814) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc=0.000538 USER MOD Single : A 25 THR OG1 : rot -54:sc= 0.484 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 30:sc= -1.5 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=-0.0025) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 3.862 -16.616 3.107 0.01 0.01 N ATOM 2 CA ALA A 1 3.271 -17.351 1.956 1.00 0.00 C ATOM 3 C ALA A 1 3.511 -16.611 0.629 1.00 0.00 C ATOM 4 O ALA A 1 4.257 -17.104 -0.214 1.00 0.00 O ATOM 5 CB ALA A 1 1.785 -17.708 2.182 1.00 0.00 C ATOM 0 H1 ALA A 1 3.681 -17.143 3.985 0.01 0.01 H new ATOM 0 H2 ALA A 1 4.888 -16.518 2.967 0.01 0.01 H new ATOM 0 H3 ALA A 1 3.430 -15.672 3.175 0.01 0.01 H new ATOM 0 HA ALA A 1 3.795 -18.304 1.883 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.403 -18.243 1.313 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.693 -18.339 3.066 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.209 -16.794 2.327 1.00 0.00 H new ATOM 13 N LEU A 2 2.914 -15.420 0.463 1.00 0.00 N ATOM 14 CA LEU A 2 2.955 -14.550 -0.728 1.00 0.00 C ATOM 15 C LEU A 2 2.409 -15.200 -2.027 1.00 0.00 C ATOM 16 O LEU A 2 3.083 -15.964 -2.720 1.00 0.00 O ATOM 17 CB LEU A 2 4.321 -13.841 -0.829 1.00 0.00 C ATOM 18 CG LEU A 2 4.287 -12.596 -1.745 1.00 0.00 C ATOM 19 CD1 LEU A 2 5.227 -11.479 -1.270 1.00 0.00 C ATOM 20 CD2 LEU A 2 4.649 -12.932 -3.194 1.00 0.00 C ATOM 0 H LEU A 2 2.351 -15.009 1.207 1.00 0.00 H new ATOM 0 HA LEU A 2 2.222 -13.755 -0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 2 4.645 -13.543 0.168 1.00 0.00 H new ATOM 0 HB3 LEU A 2 5.062 -14.544 -1.208 1.00 0.00 H new ATOM 0 HG LEU A 2 3.257 -12.244 -1.692 1.00 0.00 H new ATOM 0 HD11 LEU A 2 5.160 -10.632 -1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 2 4.938 -11.162 -0.268 1.00 0.00 H new ATOM 0 HD13 LEU A 2 6.252 -11.849 -1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 2 4.611 -12.025 -3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 2 5.655 -13.350 -3.230 1.00 0.00 H new ATOM 0 HD23 LEU A 2 3.939 -13.660 -3.587 1.00 0.00 H new ATOM 32 N VAL A 3 1.142 -14.892 -2.326 1.00 0.00 N ATOM 33 CA VAL A 3 0.313 -15.430 -3.429 1.00 0.00 C ATOM 34 C VAL A 3 -0.923 -14.522 -3.664 1.00 0.00 C ATOM 35 O VAL A 3 -0.930 -13.382 -3.202 1.00 0.00 O ATOM 36 CB VAL A 3 -0.051 -16.906 -3.118 1.00 0.00 C ATOM 37 CG1 VAL A 3 -1.006 -17.041 -1.925 1.00 0.00 C ATOM 38 CG2 VAL A 3 -0.593 -17.683 -4.328 1.00 0.00 C ATOM 0 H VAL A 3 0.625 -14.212 -1.768 1.00 0.00 H new ATOM 0 HA VAL A 3 0.870 -15.427 -4.366 1.00 0.00 H new ATOM 0 HB VAL A 3 0.900 -17.365 -2.848 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.226 -18.094 -1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -0.539 -16.618 -1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -1.932 -16.507 -2.138 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -0.824 -18.706 -4.030 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.498 -17.199 -4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 3 0.158 -17.696 -5.118 1.00 0.00 H new ATOM 48 N ASP A 4 -1.980 -14.993 -4.340 1.00 0.00 N ATOM 49 CA ASP A 4 -3.258 -14.298 -4.597 1.00 0.00 C ATOM 50 C ASP A 4 -3.927 -13.690 -3.349 1.00 0.00 C ATOM 51 O ASP A 4 -4.260 -12.507 -3.356 1.00 0.00 O ATOM 52 CB ASP A 4 -4.211 -15.297 -5.279 1.00 0.00 C ATOM 53 CG ASP A 4 -5.502 -14.654 -5.832 1.00 0.00 C ATOM 54 OD1 ASP A 4 -6.465 -14.461 -5.053 1.00 0.00 O ATOM 55 OD2 ASP A 4 -5.559 -14.369 -7.053 1.00 0.00 O ATOM 0 H ASP A 4 -1.969 -15.927 -4.749 1.00 0.00 H new ATOM 0 HA ASP A 4 -3.036 -13.443 -5.235 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -3.683 -15.788 -6.096 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -4.481 -16.073 -4.563 1.00 0.00 H new ATOM 60 N GLU A 5 -4.063 -14.461 -2.258 1.00 0.00 N ATOM 61 CA GLU A 5 -4.606 -13.977 -0.961 1.00 0.00 C ATOM 62 C GLU A 5 -3.789 -12.848 -0.334 1.00 0.00 C ATOM 63 O GLU A 5 -4.362 -11.913 0.221 1.00 0.00 O ATOM 64 CB GLU A 5 -4.762 -15.095 0.088 1.00 0.00 C ATOM 65 CG GLU A 5 -3.524 -15.981 0.270 1.00 0.00 C ATOM 66 CD GLU A 5 -3.340 -16.392 1.725 1.00 0.00 C ATOM 67 OE1 GLU A 5 -4.181 -17.161 2.243 1.00 0.00 O ATOM 68 OE2 GLU A 5 -2.341 -15.957 2.341 1.00 0.00 O ATOM 0 H GLU A 5 -3.800 -15.446 -2.243 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.590 -13.592 -1.231 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.012 -14.642 1.047 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.605 -15.726 -0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -3.618 -16.872 -0.351 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.639 -15.445 -0.073 1.00 0.00 H new ATOM 75 N VAL A 6 -2.461 -12.912 -0.448 1.00 0.00 N ATOM 76 CA VAL A 6 -1.553 -11.863 0.045 1.00 0.00 C ATOM 77 C VAL A 6 -1.657 -10.617 -0.815 1.00 0.00 C ATOM 78 O VAL A 6 -1.746 -9.529 -0.265 1.00 0.00 O ATOM 79 CB VAL A 6 -0.087 -12.321 0.086 1.00 0.00 C ATOM 80 CG1 VAL A 6 0.897 -11.211 0.483 1.00 0.00 C ATOM 81 CG2 VAL A 6 0.050 -13.491 1.069 1.00 0.00 C ATOM 0 H VAL A 6 -1.978 -13.696 -0.887 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.867 -11.642 1.065 1.00 0.00 H new ATOM 0 HB VAL A 6 0.174 -12.622 -0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.911 -11.610 0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.833 -10.394 -0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.646 -10.840 1.477 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.089 -13.819 1.101 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.260 -13.169 2.063 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.582 -14.317 0.742 1.00 0.00 H new ATOM 91 N LYS A 7 -1.702 -10.755 -2.142 1.00 0.00 N ATOM 92 CA LYS A 7 -1.977 -9.636 -3.036 1.00 0.00 C ATOM 93 C LYS A 7 -3.293 -8.955 -2.647 1.00 0.00 C ATOM 94 O LYS A 7 -3.260 -7.779 -2.322 1.00 0.00 O ATOM 95 CB LYS A 7 -1.930 -10.100 -4.502 1.00 0.00 C ATOM 96 CG LYS A 7 -0.478 -10.032 -5.010 1.00 0.00 C ATOM 97 CD LYS A 7 -0.183 -11.024 -6.143 1.00 0.00 C ATOM 98 CE LYS A 7 1.338 -11.092 -6.340 1.00 0.00 C ATOM 99 NZ LYS A 7 1.728 -11.984 -7.452 1.00 0.00 N ATOM 0 H LYS A 7 -1.549 -11.642 -2.622 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.200 -8.878 -2.932 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.310 -11.118 -4.586 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.572 -9.469 -5.116 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.270 -9.021 -5.359 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.200 -10.228 -4.179 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.579 -12.010 -5.897 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -0.671 -10.705 -7.064 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.721 -10.090 -6.532 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.805 -11.441 -5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.764 -11.994 -7.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.388 -12.948 -7.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.307 -11.639 -8.338 1.00 0.00 H new ATOM 113 N ASP A 8 -4.423 -9.664 -2.547 1.00 0.00 N ATOM 114 CA ASP A 8 -5.708 -9.088 -2.114 1.00 0.00 C ATOM 115 C ASP A 8 -5.643 -8.372 -0.751 1.00 0.00 C ATOM 116 O ASP A 8 -6.050 -7.223 -0.662 1.00 0.00 O ATOM 117 CB ASP A 8 -6.777 -10.194 -2.126 1.00 0.00 C ATOM 118 CG ASP A 8 -8.143 -9.721 -1.587 1.00 0.00 C ATOM 119 OD1 ASP A 8 -8.973 -9.223 -2.387 1.00 0.00 O ATOM 120 OD2 ASP A 8 -8.384 -9.858 -0.364 1.00 0.00 O ATOM 0 H ASP A 8 -4.475 -10.659 -2.765 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.975 -8.304 -2.822 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -6.902 -10.559 -3.145 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.428 -11.035 -1.527 1.00 0.00 H new ATOM 125 N MET A 9 -5.092 -8.999 0.290 1.00 0.00 N ATOM 126 CA MET A 9 -4.917 -8.397 1.633 1.00 0.00 C ATOM 127 C MET A 9 -3.993 -7.153 1.677 1.00 0.00 C ATOM 128 O MET A 9 -4.282 -6.159 2.345 1.00 0.00 O ATOM 129 CB MET A 9 -4.325 -9.474 2.556 1.00 0.00 C ATOM 130 CG MET A 9 -5.361 -10.505 3.019 1.00 0.00 C ATOM 131 SD MET A 9 -5.953 -10.266 4.722 1.00 0.00 S ATOM 132 CE MET A 9 -7.640 -9.676 4.428 1.00 0.00 C ATOM 0 H MET A 9 -4.746 -9.957 0.233 1.00 0.00 H new ATOM 0 HA MET A 9 -5.901 -8.050 1.949 1.00 0.00 H new ATOM 0 HB2 MET A 9 -3.518 -9.988 2.034 1.00 0.00 H new ATOM 0 HB3 MET A 9 -3.884 -8.993 3.429 1.00 0.00 H new ATOM 0 HG2 MET A 9 -6.215 -10.472 2.343 1.00 0.00 H new ATOM 0 HG3 MET A 9 -4.926 -11.501 2.935 1.00 0.00 H new ATOM 0 HE1 MET A 9 -8.131 -9.486 5.383 1.00 0.00 H new ATOM 0 HE2 MET A 9 -7.607 -8.754 3.847 1.00 0.00 H new ATOM 0 HE3 MET A 9 -8.199 -10.432 3.877 1.00 0.00 H new ATOM 142 N GLU A 10 -2.877 -7.246 0.960 1.00 0.00 N ATOM 143 CA GLU A 10 -1.899 -6.149 0.764 1.00 0.00 C ATOM 144 C GLU A 10 -2.515 -4.990 -0.026 1.00 0.00 C ATOM 145 O GLU A 10 -2.317 -3.831 0.330 1.00 0.00 O ATOM 146 CB GLU A 10 -0.591 -6.577 0.092 1.00 0.00 C ATOM 147 CG GLU A 10 0.343 -7.464 0.922 1.00 0.00 C ATOM 148 CD GLU A 10 1.208 -6.691 1.913 1.00 0.00 C ATOM 149 OE1 GLU A 10 0.655 -6.134 2.888 1.00 0.00 O ATOM 150 OE2 GLU A 10 2.451 -6.735 1.765 1.00 0.00 O ATOM 0 H GLU A 10 -2.609 -8.105 0.481 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.644 -5.826 1.773 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.837 -7.107 -0.828 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -0.044 -5.679 -0.194 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.255 -8.194 1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.991 -8.024 0.248 1.00 0.00 H new ATOM 157 N ILE A 11 -3.351 -5.298 -1.021 1.00 0.00 N ATOM 158 CA ILE A 11 -4.111 -4.338 -1.833 1.00 0.00 C ATOM 159 C ILE A 11 -5.234 -3.663 -1.006 1.00 0.00 C ATOM 160 O ILE A 11 -5.422 -2.448 -1.047 1.00 0.00 O ATOM 161 CB ILE A 11 -4.655 -5.037 -3.103 1.00 0.00 C ATOM 162 CG1 ILE A 11 -3.495 -5.350 -4.082 1.00 0.00 C ATOM 163 CG2 ILE A 11 -5.701 -4.154 -3.806 1.00 0.00 C ATOM 164 CD1 ILE A 11 -3.828 -6.423 -5.136 1.00 0.00 C ATOM 0 H ILE A 11 -3.526 -6.264 -1.296 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.443 -3.538 -2.151 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.131 -5.969 -2.799 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -3.209 -4.431 -4.594 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.629 -5.678 -3.508 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -6.070 -4.665 -4.696 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -6.532 -3.963 -3.127 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.244 -3.208 -4.094 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.963 -6.581 -5.780 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -4.084 -7.357 -4.636 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -4.673 -6.091 -5.739 1.00 0.00 H new ATOM 176 N ALA A 12 -5.981 -4.417 -0.201 1.00 0.00 N ATOM 177 CA ALA A 12 -7.014 -3.894 0.698 1.00 0.00 C ATOM 178 C ALA A 12 -6.456 -2.901 1.737 1.00 0.00 C ATOM 179 O ALA A 12 -7.046 -1.855 2.021 1.00 0.00 O ATOM 180 CB ALA A 12 -7.674 -5.100 1.375 1.00 0.00 C ATOM 0 H ALA A 12 -5.884 -5.431 -0.153 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.742 -3.322 0.123 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -8.452 -4.754 2.056 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -8.116 -5.746 0.617 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.924 -5.658 1.935 1.00 0.00 H new ATOM 186 N ARG A 13 -5.259 -3.191 2.245 1.00 0.00 N ATOM 187 CA ARG A 13 -4.459 -2.280 3.063 1.00 0.00 C ATOM 188 C ARG A 13 -4.210 -0.930 2.360 1.00 0.00 C ATOM 189 O ARG A 13 -4.286 0.128 2.987 1.00 0.00 O ATOM 190 CB ARG A 13 -3.143 -3.005 3.379 1.00 0.00 C ATOM 191 CG ARG A 13 -3.086 -3.491 4.828 1.00 0.00 C ATOM 192 CD ARG A 13 -2.080 -4.641 4.971 1.00 0.00 C ATOM 193 NE ARG A 13 -2.787 -5.933 5.036 1.00 0.00 N ATOM 194 CZ ARG A 13 -3.342 -6.462 6.114 1.00 0.00 C ATOM 195 NH1 ARG A 13 -3.264 -5.890 7.286 1.00 0.00 N ATOM 196 NH2 ARG A 13 -4.013 -7.578 6.039 1.00 0.00 N ATOM 0 H ARG A 13 -4.806 -4.092 2.095 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.993 -2.031 3.980 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.028 -3.856 2.707 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.305 -2.334 3.189 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -2.801 -2.668 5.483 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -4.074 -3.823 5.145 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.391 -4.638 4.126 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.482 -4.500 5.871 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.854 -6.468 4.170 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.763 -5.008 7.391 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.704 -6.326 8.096 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.114 -8.053 5.142 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.436 -7.976 6.877 1.00 0.00 H new ATOM 210 N LEU A 14 -3.998 -0.947 1.042 1.00 0.00 N ATOM 211 CA LEU A 14 -3.874 0.275 0.231 1.00 0.00 C ATOM 212 C LEU A 14 -5.108 1.159 0.266 1.00 0.00 C ATOM 213 O LEU A 14 -5.000 2.380 0.395 1.00 0.00 O ATOM 214 CB LEU A 14 -3.590 -0.033 -1.239 1.00 0.00 C ATOM 215 CG LEU A 14 -2.563 -1.128 -1.455 1.00 0.00 C ATOM 216 CD1 LEU A 14 -2.423 -1.338 -2.950 1.00 0.00 C ATOM 217 CD2 LEU A 14 -1.245 -0.862 -0.751 1.00 0.00 C ATOM 0 H LEU A 14 -3.907 -1.808 0.503 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.037 0.804 0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.522 -0.323 -1.725 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.244 0.877 -1.729 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.909 -2.052 -0.992 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.690 -2.122 -3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.386 -1.633 -3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.093 -0.411 -3.418 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.556 -1.683 -0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.815 0.068 -1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.416 -0.780 0.322 1.00 0.00 H new ATOM 229 N MET A 15 -6.296 0.565 0.174 1.00 0.00 N ATOM 230 CA MET A 15 -7.560 1.299 0.270 1.00 0.00 C ATOM 231 C MET A 15 -7.714 2.030 1.620 1.00 0.00 C ATOM 232 O MET A 15 -8.189 3.166 1.645 1.00 0.00 O ATOM 233 CB MET A 15 -8.727 0.310 0.083 1.00 0.00 C ATOM 234 CG MET A 15 -8.607 -0.586 -1.165 1.00 0.00 C ATOM 235 SD MET A 15 -9.880 -1.873 -1.326 1.00 0.00 S ATOM 236 CE MET A 15 -11.379 -0.866 -1.485 1.00 0.00 C ATOM 0 H MET A 15 -6.412 -0.438 0.031 1.00 0.00 H new ATOM 0 HA MET A 15 -7.567 2.059 -0.511 1.00 0.00 H new ATOM 0 HB2 MET A 15 -8.794 -0.325 0.966 1.00 0.00 H new ATOM 0 HB3 MET A 15 -9.659 0.873 0.023 1.00 0.00 H new ATOM 0 HG2 MET A 15 -8.641 0.048 -2.051 1.00 0.00 H new ATOM 0 HG3 MET A 15 -7.628 -1.066 -1.154 1.00 0.00 H new ATOM 0 HE1 MET A 15 -12.227 -1.510 -1.716 1.00 0.00 H new ATOM 0 HE2 MET A 15 -11.566 -0.341 -0.548 1.00 0.00 H new ATOM 0 HE3 MET A 15 -11.246 -0.140 -2.287 1.00 0.00 H new ATOM 246 N SER A 16 -7.255 1.434 2.731 1.00 0.00 N ATOM 247 CA SER A 16 -7.215 2.110 4.046 1.00 0.00 C ATOM 248 C SER A 16 -6.336 3.386 4.066 1.00 0.00 C ATOM 249 O SER A 16 -6.694 4.387 4.691 1.00 0.00 O ATOM 250 CB SER A 16 -6.726 1.149 5.143 1.00 0.00 C ATOM 251 OG SER A 16 -7.698 0.160 5.453 1.00 0.00 O ATOM 0 H SER A 16 -6.903 0.477 2.749 1.00 0.00 H new ATOM 0 HA SER A 16 -8.242 2.419 4.241 1.00 0.00 H new ATOM 0 HB2 SER A 16 -5.806 0.664 4.817 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.486 1.716 6.042 1.00 0.00 H new ATOM 0 HG SER A 16 -7.351 -0.432 6.152 1.00 0.00 H new ATOM 257 N LEU A 17 -5.202 3.364 3.355 1.00 0.00 N ATOM 258 CA LEU A 17 -4.330 4.537 3.148 1.00 0.00 C ATOM 259 C LEU A 17 -4.898 5.600 2.190 1.00 0.00 C ATOM 260 O LEU A 17 -4.580 6.784 2.323 1.00 0.00 O ATOM 261 CB LEU A 17 -2.952 4.064 2.657 1.00 0.00 C ATOM 262 CG LEU A 17 -2.003 3.936 3.859 1.00 0.00 C ATOM 263 CD1 LEU A 17 -1.133 2.702 3.763 1.00 0.00 C ATOM 264 CD2 LEU A 17 -1.150 5.199 4.005 1.00 0.00 C ATOM 0 H LEU A 17 -4.855 2.520 2.899 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.254 5.034 4.115 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.044 3.105 2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.548 4.772 1.933 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.616 3.826 4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.478 2.650 4.632 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.764 1.814 3.731 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.530 2.752 2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.484 5.091 4.861 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.559 5.345 3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.799 6.061 4.157 1.00 0.00 H new ATOM 276 N GLY A 18 -5.718 5.180 1.230 1.00 0.00 N ATOM 277 CA GLY A 18 -6.220 6.037 0.160 1.00 0.00 C ATOM 278 C GLY A 18 -5.332 5.934 -1.084 1.00 0.00 C ATOM 279 O GLY A 18 -4.329 6.636 -1.205 1.00 0.00 O ATOM 0 H GLY A 18 -6.057 4.220 1.173 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.241 5.751 -0.092 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.254 7.071 0.503 1.00 0.00 H new ATOM 283 N LEU A 19 -5.783 5.070 -1.993 1.00 0.00 N ATOM 284 CA LEU A 19 -5.226 4.859 -3.327 1.00 0.00 C ATOM 285 C LEU A 19 -6.302 4.545 -4.403 1.00 0.00 C ATOM 286 O LEU A 19 -7.494 4.453 -4.096 1.00 0.00 O ATOM 287 CB LEU A 19 -4.136 3.774 -3.199 1.00 0.00 C ATOM 288 CG LEU A 19 -2.830 4.232 -2.515 1.00 0.00 C ATOM 289 CD1 LEU A 19 -1.817 3.095 -2.363 1.00 0.00 C ATOM 290 CD2 LEU A 19 -2.147 5.359 -3.305 1.00 0.00 C ATOM 0 H LEU A 19 -6.586 4.469 -1.809 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.780 5.783 -3.696 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.546 2.934 -2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.895 3.404 -4.196 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.130 4.584 -1.528 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.917 3.472 -1.876 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.251 2.299 -1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.560 2.703 -3.347 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.231 5.657 -2.795 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.906 5.006 -4.308 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.819 6.214 -3.373 1.00 0.00 H new ATOM 302 N SER A 20 -5.876 4.430 -5.667 1.00 0.00 N ATOM 303 CA SER A 20 -6.667 3.981 -6.837 1.00 0.00 C ATOM 304 C SER A 20 -7.135 2.501 -6.736 1.00 0.00 C ATOM 305 O SER A 20 -7.247 1.952 -5.637 1.00 0.00 O ATOM 306 CB SER A 20 -5.821 4.201 -8.110 1.00 0.00 C ATOM 307 OG SER A 20 -5.209 5.481 -8.147 1.00 0.00 O ATOM 0 H SER A 20 -4.916 4.659 -5.923 1.00 0.00 H new ATOM 0 HA SER A 20 -7.581 4.574 -6.872 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.050 3.433 -8.166 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.455 4.081 -8.988 1.00 0.00 H new ATOM 0 HG SER A 20 -4.685 5.569 -8.970 1.00 0.00 H new ATOM 313 N ILE A 21 -7.388 1.810 -7.861 1.00 0.00 N ATOM 314 CA ILE A 21 -7.800 0.389 -7.898 1.00 0.00 C ATOM 315 C ILE A 21 -6.668 -0.446 -8.536 1.00 0.00 C ATOM 316 O ILE A 21 -5.658 -0.665 -7.875 1.00 0.00 O ATOM 317 CB ILE A 21 -9.154 0.249 -8.639 1.00 0.00 C ATOM 318 CG1 ILE A 21 -10.271 1.112 -8.009 1.00 0.00 C ATOM 319 CG2 ILE A 21 -9.616 -1.224 -8.751 1.00 0.00 C ATOM 320 CD1 ILE A 21 -11.394 1.381 -9.017 1.00 0.00 C ATOM 0 H ILE A 21 -7.312 2.227 -8.789 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.960 0.006 -6.890 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.971 0.624 -9.646 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -10.677 0.605 -7.134 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.853 2.058 -7.664 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -10.569 -1.267 -9.278 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.871 -1.798 -9.301 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -9.734 -1.645 -7.753 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -12.166 1.990 -8.547 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.989 1.910 -9.880 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.826 0.434 -9.342 1.00 0.00 H new ATOM 332 N GLU A 22 -6.749 -0.829 -9.822 1.00 0.00 N ATOM 333 CA GLU A 22 -5.711 -1.629 -10.522 1.00 0.00 C ATOM 334 C GLU A 22 -4.359 -0.928 -10.577 1.00 0.00 C ATOM 335 O GLU A 22 -3.326 -1.594 -10.499 1.00 0.00 O ATOM 336 CB GLU A 22 -6.107 -1.969 -11.974 1.00 0.00 C ATOM 337 CG GLU A 22 -6.405 -3.452 -12.209 1.00 0.00 C ATOM 338 CD GLU A 22 -7.889 -3.752 -12.054 1.00 0.00 C ATOM 339 OE1 GLU A 22 -8.642 -3.517 -13.027 1.00 0.00 O ATOM 340 OE2 GLU A 22 -8.294 -4.252 -10.982 1.00 0.00 O ATOM 0 H GLU A 22 -7.543 -0.593 -10.417 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.631 -2.540 -9.929 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.986 -1.385 -12.246 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.301 -1.661 -12.641 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -6.077 -3.736 -13.209 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.835 -4.056 -11.503 1.00 0.00 H new ATOM 347 N GLU A 23 -4.373 0.411 -10.627 1.00 0.00 N ATOM 348 CA GLU A 23 -3.125 1.193 -10.599 1.00 0.00 C ATOM 349 C GLU A 23 -2.539 1.160 -9.204 1.00 0.00 C ATOM 350 O GLU A 23 -1.382 0.794 -9.076 1.00 0.00 O ATOM 351 CB GLU A 23 -3.307 2.646 -11.039 1.00 0.00 C ATOM 352 CG GLU A 23 -1.967 3.346 -11.307 1.00 0.00 C ATOM 353 CD GLU A 23 -1.581 3.268 -12.780 1.00 0.00 C ATOM 354 OE1 GLU A 23 -2.044 4.132 -13.558 1.00 0.00 O ATOM 355 OE2 GLU A 23 -0.796 2.367 -13.151 1.00 0.00 O ATOM 0 H GLU A 23 -5.223 0.972 -10.686 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.449 0.729 -11.317 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.917 2.676 -11.942 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.851 3.191 -10.268 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.033 4.390 -11.002 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.187 2.886 -10.700 1.00 0.00 H new ATOM 362 N ALA A 24 -3.312 1.379 -8.132 1.00 0.00 N ATOM 363 CA ALA A 24 -2.829 1.185 -6.762 1.00 0.00 C ATOM 364 C ALA A 24 -2.236 -0.185 -6.469 1.00 0.00 C ATOM 365 O ALA A 24 -1.249 -0.248 -5.750 1.00 0.00 O ATOM 366 CB ALA A 24 -3.995 1.375 -5.790 1.00 0.00 C ATOM 0 H ALA A 24 -4.281 1.693 -8.190 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.031 1.917 -6.640 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.644 1.232 -4.768 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.398 2.382 -5.898 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -4.775 0.646 -6.011 1.00 0.00 H new ATOM 372 N THR A 25 -2.789 -1.249 -7.051 1.00 0.00 N ATOM 373 CA THR A 25 -2.285 -2.601 -6.779 1.00 0.00 C ATOM 374 C THR A 25 -0.884 -2.781 -7.367 1.00 0.00 C ATOM 375 O THR A 25 0.053 -3.273 -6.732 1.00 0.00 O ATOM 376 CB THR A 25 -3.211 -3.704 -7.329 1.00 0.00 C ATOM 377 OG1 THR A 25 -3.069 -3.974 -8.709 1.00 0.00 O ATOM 378 CG2 THR A 25 -4.698 -3.468 -7.061 1.00 0.00 C ATOM 0 H THR A 25 -3.572 -1.207 -7.703 1.00 0.00 H new ATOM 0 HA THR A 25 -2.252 -2.704 -5.694 1.00 0.00 H new ATOM 0 HB THR A 25 -2.865 -4.569 -6.763 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.169 -3.142 -9.217 1.00 0.00 H new ATOM 0 HG21 THR A 25 -5.278 -4.290 -7.481 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.870 -3.414 -5.986 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.007 -2.531 -7.525 1.00 0.00 H new ATOM 386 N GLU A 26 -0.700 -2.254 -8.579 1.00 0.00 N ATOM 387 CA GLU A 26 0.595 -2.207 -9.237 1.00 0.00 C ATOM 388 C GLU A 26 1.516 -1.214 -8.556 1.00 0.00 C ATOM 389 O GLU A 26 2.706 -1.496 -8.471 1.00 0.00 O ATOM 390 CB GLU A 26 0.421 -1.835 -10.721 1.00 0.00 C ATOM 391 CG GLU A 26 0.861 -2.952 -11.668 1.00 0.00 C ATOM 392 CD GLU A 26 2.289 -2.734 -12.153 1.00 0.00 C ATOM 393 OE1 GLU A 26 3.230 -2.919 -11.355 1.00 0.00 O ATOM 394 OE2 GLU A 26 2.462 -2.406 -13.349 1.00 0.00 O ATOM 0 H GLU A 26 -1.455 -1.846 -9.131 1.00 0.00 H new ATOM 0 HA GLU A 26 1.049 -3.196 -9.166 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.625 -1.596 -10.910 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.998 -0.935 -10.935 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.790 -3.913 -11.159 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.186 -2.994 -12.523 1.00 0.00 H new ATOM 401 N PHE A 27 1.034 -0.079 -8.031 1.00 0.00 N ATOM 402 CA PHE A 27 1.911 0.937 -7.467 1.00 0.00 C ATOM 403 C PHE A 27 2.444 0.382 -6.141 1.00 0.00 C ATOM 404 O PHE A 27 3.643 0.243 -6.014 1.00 0.00 O ATOM 405 CB PHE A 27 1.109 2.229 -7.266 1.00 0.00 C ATOM 406 CG PHE A 27 1.943 3.433 -6.887 1.00 0.00 C ATOM 407 CD1 PHE A 27 2.687 4.074 -7.896 1.00 0.00 C ATOM 408 CD2 PHE A 27 1.975 3.931 -5.564 1.00 0.00 C ATOM 409 CE1 PHE A 27 3.446 5.216 -7.601 1.00 0.00 C ATOM 410 CE2 PHE A 27 2.662 5.129 -5.298 1.00 0.00 C ATOM 411 CZ PHE A 27 3.407 5.766 -6.307 1.00 0.00 C ATOM 0 H PHE A 27 0.041 0.152 -7.989 1.00 0.00 H new ATOM 0 HA PHE A 27 2.749 1.172 -8.123 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.568 2.453 -8.186 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.362 2.061 -6.490 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.673 3.684 -8.903 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.478 3.398 -4.767 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.058 5.672 -8.365 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.617 5.564 -4.310 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.948 6.675 -6.089 1.00 0.00 H new ATOM 421 N TYR A 28 1.597 -0.088 -5.213 1.00 0.00 N ATOM 422 CA TYR A 28 1.989 -0.866 -4.016 1.00 0.00 C ATOM 423 C TYR A 28 3.110 -1.893 -4.183 1.00 0.00 C ATOM 424 O TYR A 28 4.018 -1.944 -3.349 1.00 0.00 O ATOM 425 CB TYR A 28 0.735 -1.594 -3.495 1.00 0.00 C ATOM 426 CG TYR A 28 0.830 -3.058 -3.058 1.00 0.00 C ATOM 427 CD1 TYR A 28 1.630 -3.443 -1.971 1.00 0.00 C ATOM 428 CD2 TYR A 28 0.120 -4.056 -3.760 1.00 0.00 C ATOM 429 CE1 TYR A 28 1.828 -4.812 -1.700 1.00 0.00 C ATOM 430 CE2 TYR A 28 0.345 -5.420 -3.507 1.00 0.00 C ATOM 431 CZ TYR A 28 1.249 -5.795 -2.508 1.00 0.00 C ATOM 432 OH TYR A 28 1.537 -7.109 -2.295 1.00 0.00 O ATOM 0 H TYR A 28 0.590 0.064 -5.271 1.00 0.00 H new ATOM 0 HA TYR A 28 2.401 -0.130 -3.326 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.359 -1.025 -2.645 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -0.022 -1.537 -4.277 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.092 -2.694 -1.345 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.608 -3.767 -4.504 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.435 -5.106 -0.857 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.176 -6.173 -4.080 1.00 0.00 H new ATOM 0 HH TYR A 28 1.050 -7.660 -2.943 1.00 0.00 H new ATOM 442 N GLU A 29 3.037 -2.713 -5.236 1.00 0.00 N ATOM 443 CA GLU A 29 4.037 -3.769 -5.491 1.00 0.00 C ATOM 444 C GLU A 29 5.333 -3.234 -6.118 1.00 0.00 C ATOM 445 O GLU A 29 6.389 -3.851 -5.980 1.00 0.00 O ATOM 446 CB GLU A 29 3.431 -4.851 -6.400 1.00 0.00 C ATOM 447 CG GLU A 29 3.178 -6.176 -5.679 1.00 0.00 C ATOM 448 CD GLU A 29 4.320 -7.153 -5.927 1.00 0.00 C ATOM 449 OE1 GLU A 29 5.336 -7.092 -5.202 1.00 0.00 O ATOM 450 OE2 GLU A 29 4.184 -7.997 -6.842 1.00 0.00 O ATOM 0 H GLU A 29 2.293 -2.669 -5.933 1.00 0.00 H new ATOM 0 HA GLU A 29 4.304 -4.191 -4.522 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.491 -4.484 -6.812 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.101 -5.026 -7.242 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.071 -5.998 -4.609 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.240 -6.610 -6.025 1.00 0.00 H new ATOM 457 N ASN A 30 5.263 -2.067 -6.760 1.00 0.00 N ATOM 458 CA ASN A 30 6.423 -1.370 -7.334 1.00 0.00 C ATOM 459 C ASN A 30 7.151 -0.470 -6.309 1.00 0.00 C ATOM 460 O ASN A 30 8.382 -0.382 -6.314 1.00 0.00 O ATOM 461 CB ASN A 30 5.979 -0.502 -8.525 1.00 0.00 C ATOM 462 CG ASN A 30 6.759 -0.880 -9.767 1.00 0.00 C ATOM 463 OD1 ASN A 30 6.479 -1.868 -10.435 1.00 0.00 O ATOM 464 ND2 ASN A 30 7.792 -0.130 -10.090 1.00 0.00 N ATOM 0 H ASN A 30 4.385 -1.568 -6.900 1.00 0.00 H new ATOM 0 HA ASN A 30 7.121 -2.143 -7.656 1.00 0.00 H new ATOM 0 HB2 ASN A 30 4.912 -0.634 -8.703 1.00 0.00 H new ATOM 0 HB3 ASN A 30 6.136 0.552 -8.295 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.364 -0.371 -10.900 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.021 0.692 -9.530 1.00 0.00 H new ATOM 471 N ASP A 31 6.367 0.193 -5.461 1.00 0.00 N ATOM 472 CA ASP A 31 6.784 1.011 -4.326 1.00 0.00 C ATOM 473 C ASP A 31 7.450 0.083 -3.332 1.00 0.00 C ATOM 474 O ASP A 31 8.676 0.079 -3.268 1.00 0.00 O ATOM 475 CB ASP A 31 5.584 1.760 -3.717 1.00 0.00 C ATOM 476 CG ASP A 31 5.316 3.117 -4.398 1.00 0.00 C ATOM 477 OD1 ASP A 31 5.327 3.188 -5.650 1.00 0.00 O ATOM 478 OD2 ASP A 31 5.147 4.116 -3.660 1.00 0.00 O ATOM 0 H ASP A 31 5.352 0.170 -5.557 1.00 0.00 H new ATOM 0 HA ASP A 31 7.488 1.784 -4.635 1.00 0.00 H new ATOM 0 HB2 ASP A 31 4.694 1.136 -3.798 1.00 0.00 H new ATOM 0 HB3 ASP A 31 5.764 1.922 -2.654 1.00 0.00 H new ATOM 483 N VAL A 32 6.676 -0.780 -2.648 1.00 0.00 N ATOM 484 CA VAL A 32 7.318 -1.822 -1.829 1.00 0.00 C ATOM 485 C VAL A 32 6.445 -3.023 -1.352 1.00 0.00 C ATOM 486 O VAL A 32 6.595 -4.117 -1.887 1.00 0.00 O ATOM 487 CB VAL A 32 7.862 -1.109 -0.568 1.00 0.00 C ATOM 488 CG1 VAL A 32 6.771 -0.188 0.051 1.00 0.00 C ATOM 489 CG2 VAL A 32 8.537 -2.060 0.429 1.00 0.00 C ATOM 0 H VAL A 32 5.656 -0.781 -2.643 1.00 0.00 H new ATOM 0 HA VAL A 32 8.061 -2.281 -2.481 1.00 0.00 H new ATOM 0 HB VAL A 32 8.679 -0.457 -0.878 1.00 0.00 H new ATOM 0 HG11 VAL A 32 7.171 0.305 0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.472 0.564 -0.679 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.904 -0.787 0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 32 8.894 -1.492 1.288 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.818 -2.808 0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.379 -2.556 -0.054 1.00 0.00 H new ATOM 499 N THR A 33 5.599 -2.847 -0.319 1.00 0.00 N ATOM 500 CA THR A 33 4.889 -3.899 0.442 1.00 0.00 C ATOM 501 C THR A 33 3.678 -3.295 1.190 1.00 0.00 C ATOM 502 O THR A 33 2.555 -3.741 1.010 1.00 0.00 O ATOM 503 CB THR A 33 5.747 -4.572 1.550 1.00 0.00 C ATOM 504 OG1 THR A 33 6.251 -3.638 2.490 1.00 0.00 O ATOM 505 CG2 THR A 33 6.916 -5.439 1.075 1.00 0.00 C ATOM 0 H THR A 33 5.378 -1.914 0.029 1.00 0.00 H new ATOM 0 HA THR A 33 4.615 -4.637 -0.311 1.00 0.00 H new ATOM 0 HB THR A 33 5.022 -5.244 2.010 1.00 0.00 H new ATOM 0 HG1 THR A 33 6.782 -4.109 3.166 1.00 0.00 H new ATOM 0 HG21 THR A 33 7.437 -5.852 1.939 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.538 -6.252 0.456 1.00 0.00 H new ATOM 0 HG23 THR A 33 7.607 -4.830 0.492 1.00 0.00 H new ATOM 513 N TYR A 34 3.851 -2.212 1.967 1.00 0.00 N ATOM 514 CA TYR A 34 2.820 -1.416 2.651 1.00 0.00 C ATOM 515 C TYR A 34 3.524 -0.326 3.487 1.00 0.00 C ATOM 516 O TYR A 34 3.544 0.833 3.103 1.00 0.00 O ATOM 517 CB TYR A 34 1.903 -2.279 3.526 1.00 0.00 C ATOM 518 CG TYR A 34 0.942 -1.490 4.392 1.00 0.00 C ATOM 519 CD1 TYR A 34 -0.258 -1.002 3.851 1.00 0.00 C ATOM 520 CD2 TYR A 34 1.242 -1.259 5.744 1.00 0.00 C ATOM 521 CE1 TYR A 34 -1.188 -0.356 4.687 1.00 0.00 C ATOM 522 CE2 TYR A 34 0.334 -0.566 6.565 1.00 0.00 C ATOM 523 CZ TYR A 34 -0.888 -0.121 6.037 1.00 0.00 C ATOM 524 OH TYR A 34 -1.764 0.566 6.822 1.00 0.00 O ATOM 0 H TYR A 34 4.785 -1.844 2.146 1.00 0.00 H new ATOM 0 HA TYR A 34 2.174 -0.956 1.903 1.00 0.00 H new ATOM 0 HB2 TYR A 34 1.329 -2.946 2.883 1.00 0.00 H new ATOM 0 HB3 TYR A 34 2.520 -2.908 4.168 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -0.467 -1.122 2.798 1.00 0.00 H new ATOM 0 HD2 TYR A 34 2.175 -1.615 6.156 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -2.139 -0.039 4.286 1.00 0.00 H new ATOM 0 HE2 TYR A 34 0.577 -0.377 7.600 1.00 0.00 H new ATOM 0 HH TYR A 34 -1.402 0.639 7.730 1.00 0.00 H new ATOM 534 N GLU A 35 4.197 -0.740 4.567 1.00 0.00 N ATOM 535 CA GLU A 35 4.809 0.158 5.586 1.00 0.00 C ATOM 536 C GLU A 35 5.822 1.164 5.031 1.00 0.00 C ATOM 537 O GLU A 35 5.825 2.323 5.435 1.00 0.00 O ATOM 538 CB GLU A 35 5.488 -0.640 6.710 1.00 0.00 C ATOM 539 CG GLU A 35 4.655 -0.672 7.989 1.00 0.00 C ATOM 540 CD GLU A 35 4.726 0.652 8.744 1.00 0.00 C ATOM 541 OE1 GLU A 35 5.819 0.988 9.256 1.00 0.00 O ATOM 542 OE2 GLU A 35 3.678 1.321 8.873 1.00 0.00 O ATOM 0 H GLU A 35 4.341 -1.729 4.773 1.00 0.00 H new ATOM 0 HA GLU A 35 3.963 0.727 5.971 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.666 -1.660 6.370 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.462 -0.201 6.925 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.617 -0.894 7.741 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.008 -1.477 8.633 1.00 0.00 H new ATOM 549 N ARG A 36 6.641 0.728 4.074 1.00 0.00 N ATOM 550 CA ARG A 36 7.623 1.607 3.414 1.00 0.00 C ATOM 551 C ARG A 36 6.923 2.671 2.544 1.00 0.00 C ATOM 552 O ARG A 36 7.236 3.854 2.660 1.00 0.00 O ATOM 553 CB ARG A 36 8.639 0.798 2.588 1.00 0.00 C ATOM 554 CG ARG A 36 10.118 1.116 2.831 1.00 0.00 C ATOM 555 CD ARG A 36 10.923 0.213 1.887 1.00 0.00 C ATOM 556 NE ARG A 36 12.377 0.400 2.009 1.00 0.00 N ATOM 557 CZ ARG A 36 13.286 -0.544 2.200 1.00 0.00 C ATOM 558 NH1 ARG A 36 12.980 -1.808 2.349 1.00 0.00 N ATOM 559 NH2 ARG A 36 14.550 -0.231 2.244 1.00 0.00 N ATOM 0 H ARG A 36 6.648 -0.233 3.733 1.00 0.00 H new ATOM 0 HA ARG A 36 8.175 2.126 4.198 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.479 -0.261 2.791 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.424 0.956 1.531 1.00 0.00 H new ATOM 0 HG2 ARG A 36 10.326 2.167 2.632 1.00 0.00 H new ATOM 0 HG3 ARG A 36 10.389 0.929 3.870 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.678 -0.829 2.094 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.622 0.413 0.859 1.00 0.00 H new ATOM 0 HE ARG A 36 12.721 1.358 1.939 1.00 0.00 H new ATOM 0 HH11 ARG A 36 12.004 -2.103 2.320 1.00 0.00 H new ATOM 0 HH12 ARG A 36 13.717 -2.498 2.494 1.00 0.00 H new ATOM 0 HH21 ARG A 36 14.839 0.741 2.131 1.00 0.00 H new ATOM 0 HH22 ARG A 36 15.251 -0.958 2.391 1.00 0.00 H new ATOM 573 N TYR A 37 5.956 2.274 1.698 1.00 0.00 N ATOM 574 CA TYR A 37 5.238 3.219 0.842 1.00 0.00 C ATOM 575 C TYR A 37 4.382 4.139 1.705 1.00 0.00 C ATOM 576 O TYR A 37 4.476 5.334 1.518 1.00 0.00 O ATOM 577 CB TYR A 37 4.431 2.564 -0.294 1.00 0.00 C ATOM 578 CG TYR A 37 2.949 2.379 -0.057 1.00 0.00 C ATOM 579 CD1 TYR A 37 2.106 3.504 -0.049 1.00 0.00 C ATOM 580 CD2 TYR A 37 2.422 1.109 0.215 1.00 0.00 C ATOM 581 CE1 TYR A 37 0.754 3.386 0.279 1.00 0.00 C ATOM 582 CE2 TYR A 37 1.066 0.990 0.560 1.00 0.00 C ATOM 583 CZ TYR A 37 0.241 2.121 0.570 1.00 0.00 C ATOM 584 OH TYR A 37 -1.068 1.994 0.869 1.00 0.00 O ATOM 0 H TYR A 37 5.658 1.304 1.593 1.00 0.00 H new ATOM 0 HA TYR A 37 5.990 3.810 0.320 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.559 3.167 -1.193 1.00 0.00 H new ATOM 0 HB3 TYR A 37 4.867 1.587 -0.501 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.510 4.474 -0.300 1.00 0.00 H new ATOM 0 HD2 TYR A 37 3.051 0.233 0.160 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.117 4.258 0.307 1.00 0.00 H new ATOM 0 HE2 TYR A 37 0.659 0.024 0.818 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.579 2.689 0.403 1.00 0.00 H new ATOM 594 N LEU A 38 3.611 3.628 2.670 1.00 0.00 N ATOM 595 CA LEU A 38 2.859 4.411 3.657 1.00 0.00 C ATOM 596 C LEU A 38 3.703 5.582 4.186 1.00 0.00 C ATOM 597 O LEU A 38 3.303 6.731 4.091 1.00 0.00 O ATOM 598 CB LEU A 38 2.386 3.435 4.764 1.00 0.00 C ATOM 599 CG LEU A 38 1.784 4.086 6.034 1.00 0.00 C ATOM 600 CD1 LEU A 38 0.741 3.188 6.716 1.00 0.00 C ATOM 601 CD2 LEU A 38 2.846 4.513 7.059 1.00 0.00 C ATOM 0 H LEU A 38 3.489 2.622 2.790 1.00 0.00 H new ATOM 0 HA LEU A 38 1.981 4.877 3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.640 2.765 4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.234 2.819 5.063 1.00 0.00 H new ATOM 0 HG LEU A 38 1.287 4.987 5.673 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.350 3.691 7.601 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.076 2.987 6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.207 2.247 7.010 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.357 4.961 7.924 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.417 3.640 7.377 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.518 5.241 6.605 1.00 0.00 H new ATOM 613 N GLU A 39 4.895 5.243 4.669 1.00 0.00 N ATOM 614 CA GLU A 39 5.832 6.225 5.255 1.00 0.00 C ATOM 615 C GLU A 39 6.198 7.341 4.255 1.00 0.00 C ATOM 616 O GLU A 39 6.198 8.521 4.607 1.00 0.00 O ATOM 617 CB GLU A 39 7.094 5.588 5.853 1.00 0.00 C ATOM 618 CG GLU A 39 7.141 5.870 7.354 1.00 0.00 C ATOM 619 CD GLU A 39 8.436 5.341 7.952 1.00 0.00 C ATOM 620 OE1 GLU A 39 9.463 6.051 7.861 1.00 0.00 O ATOM 621 OE2 GLU A 39 8.422 4.235 8.534 1.00 0.00 O ATOM 0 H GLU A 39 5.247 4.286 4.670 1.00 0.00 H new ATOM 0 HA GLU A 39 5.291 6.677 6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.092 4.513 5.673 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.983 5.991 5.368 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.062 6.943 7.532 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.288 5.402 7.845 1.00 0.00 H new ATOM 628 N ILE A 40 6.410 6.976 2.989 1.00 0.00 N ATOM 629 CA ILE A 40 6.743 7.890 1.879 1.00 0.00 C ATOM 630 C ILE A 40 5.516 8.737 1.436 1.00 0.00 C ATOM 631 O ILE A 40 5.604 9.958 1.325 1.00 0.00 O ATOM 632 CB ILE A 40 7.345 7.060 0.709 1.00 0.00 C ATOM 633 CG1 ILE A 40 8.670 6.357 1.116 1.00 0.00 C ATOM 634 CG2 ILE A 40 7.620 7.925 -0.538 1.00 0.00 C ATOM 635 CD1 ILE A 40 9.065 5.188 0.199 1.00 0.00 C ATOM 0 H ILE A 40 6.354 6.002 2.691 1.00 0.00 H new ATOM 0 HA ILE A 40 7.487 8.611 2.217 1.00 0.00 H new ATOM 0 HB ILE A 40 6.592 6.309 0.469 1.00 0.00 H new ATOM 0 HG12 ILE A 40 9.474 7.093 1.117 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.575 5.988 2.137 1.00 0.00 H new ATOM 0 HG21 ILE A 40 8.040 7.302 -1.328 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.688 8.371 -0.884 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.327 8.714 -0.284 1.00 0.00 H new ATOM 0 HD11 ILE A 40 10.000 4.751 0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.281 4.431 0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.195 5.553 -0.820 1.00 0.00 H new ATOM 647 N LEU A 41 4.358 8.118 1.201 1.00 0.00 N ATOM 648 CA LEU A 41 3.080 8.707 0.791 1.00 0.00 C ATOM 649 C LEU A 41 2.474 9.629 1.879 1.00 0.00 C ATOM 650 O LEU A 41 2.071 10.741 1.561 1.00 0.00 O ATOM 651 CB LEU A 41 2.139 7.549 0.381 1.00 0.00 C ATOM 652 CG LEU A 41 2.276 7.064 -1.083 1.00 0.00 C ATOM 653 CD1 LEU A 41 1.667 8.057 -2.067 1.00 0.00 C ATOM 654 CD2 LEU A 41 3.704 6.755 -1.539 1.00 0.00 C ATOM 0 H LEU A 41 4.283 7.106 1.301 1.00 0.00 H new ATOM 0 HA LEU A 41 3.231 9.368 -0.062 1.00 0.00 H new ATOM 0 HB2 LEU A 41 2.322 6.703 1.044 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.109 7.866 0.545 1.00 0.00 H new ATOM 0 HG LEU A 41 1.727 6.123 -1.086 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.783 7.680 -3.083 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.607 8.184 -1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.174 9.017 -1.976 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.691 6.424 -2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.316 7.653 -1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 41 4.124 5.968 -0.912 1.00 0.00 H new ATOM 666 N LYS A 42 2.446 9.213 3.152 1.00 0.00 N ATOM 667 CA LYS A 42 2.124 10.078 4.314 1.00 0.00 C ATOM 668 C LYS A 42 3.058 11.314 4.427 1.00 0.00 C ATOM 669 O LYS A 42 2.647 12.395 4.853 1.00 0.00 O ATOM 670 CB LYS A 42 2.257 9.283 5.629 1.00 0.00 C ATOM 671 CG LYS A 42 1.123 8.286 5.921 1.00 0.00 C ATOM 672 CD LYS A 42 0.888 8.209 7.439 1.00 0.00 C ATOM 673 CE LYS A 42 -0.193 7.185 7.800 1.00 0.00 C ATOM 674 NZ LYS A 42 -0.158 6.843 9.239 1.00 0.00 N ATOM 0 H LYS A 42 2.649 8.249 3.417 1.00 0.00 H new ATOM 0 HA LYS A 42 1.102 10.420 4.153 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.200 8.737 5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.316 9.991 6.456 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.209 8.600 5.416 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.381 7.301 5.531 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.820 7.943 7.937 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.596 9.191 7.811 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.174 7.585 7.544 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -0.052 6.281 7.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -0.902 6.148 9.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.770 6.439 9.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.317 7.702 9.804 1.00 0.00 H new ATOM 688 N SER A 43 4.319 11.089 4.048 1.00 0.00 N ATOM 689 CA SER A 43 5.281 12.195 3.865 1.00 0.00 C ATOM 690 C SER A 43 4.795 13.186 2.773 1.00 0.00 C ATOM 691 O SER A 43 4.762 14.401 2.986 1.00 0.00 O ATOM 692 CB SER A 43 6.728 11.758 3.638 1.00 0.00 C ATOM 693 OG SER A 43 7.611 12.767 4.113 1.00 0.00 O ATOM 0 H SER A 43 4.701 10.162 3.862 1.00 0.00 H new ATOM 0 HA SER A 43 5.304 12.716 4.822 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.920 10.819 4.156 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.902 11.578 2.577 1.00 0.00 H new ATOM 0 HG SER A 43 8.538 12.485 3.968 1.00 0.00 H new ATOM 699 N LYS A 44 4.374 12.658 1.619 1.00 0.00 N ATOM 700 CA LYS A 44 3.671 13.366 0.534 1.00 0.00 C ATOM 701 C LYS A 44 2.200 13.749 0.871 1.00 0.00 C ATOM 702 O LYS A 44 1.735 13.630 2.009 1.00 0.00 O ATOM 703 CB LYS A 44 3.752 12.493 -0.745 1.00 0.00 C ATOM 704 CG LYS A 44 4.777 13.043 -1.749 1.00 0.00 C ATOM 705 CD LYS A 44 4.609 12.346 -3.110 1.00 0.00 C ATOM 706 CE LYS A 44 5.859 12.445 -3.996 1.00 0.00 C ATOM 707 NZ LYS A 44 6.009 13.762 -4.654 1.00 0.00 N ATOM 0 H LYS A 44 4.520 11.672 1.401 1.00 0.00 H new ATOM 0 HA LYS A 44 4.170 14.323 0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.022 11.473 -0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.770 12.447 -1.216 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.644 14.119 -1.864 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.788 12.885 -1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.369 11.295 -2.946 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.762 12.788 -3.636 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.742 12.248 -3.389 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.817 11.668 -4.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.871 13.763 -5.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 5.182 13.944 -5.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.079 14.506 -3.930 1.00 0.00 H new ATOM 721 N GLN A 45 1.453 14.244 -0.126 1.00 0.00 N ATOM 722 CA GLN A 45 -0.001 14.451 -0.039 1.00 0.00 C ATOM 723 C GLN A 45 -0.782 13.121 -0.108 1.00 0.00 C ATOM 724 O GLN A 45 -0.645 12.344 -1.056 1.00 0.00 O ATOM 725 CB GLN A 45 -0.483 15.413 -1.149 1.00 0.00 C ATOM 726 CG GLN A 45 -1.005 16.756 -0.602 1.00 0.00 C ATOM 727 CD GLN A 45 -2.394 17.090 -1.115 1.00 0.00 C ATOM 728 OE1 GLN A 45 -2.651 17.120 -2.312 1.00 0.00 O ATOM 729 NE2 GLN A 45 -3.330 17.356 -0.229 1.00 0.00 N ATOM 0 H GLN A 45 1.846 14.516 -1.027 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.203 14.900 0.933 1.00 0.00 H new ATOM 0 HB2 GLN A 45 0.340 15.604 -1.838 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -1.274 14.929 -1.722 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -1.022 16.719 0.487 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -0.316 17.552 -0.883 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -3.112 17.330 0.767 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -4.274 17.588 -0.538 1.00 0.00 H new ATOM 738 N LYS A 46 -1.641 12.905 0.887 1.00 0.00 N ATOM 739 CA LYS A 46 -2.608 11.799 0.989 1.00 0.00 C ATOM 740 C LYS A 46 -4.055 12.273 0.686 1.00 0.00 C ATOM 741 O LYS A 46 -4.263 13.433 0.306 1.00 0.00 O ATOM 742 CB LYS A 46 -2.453 11.157 2.384 1.00 0.00 C ATOM 743 CG LYS A 46 -2.948 12.054 3.538 1.00 0.00 C ATOM 744 CD LYS A 46 -2.119 11.864 4.817 1.00 0.00 C ATOM 745 CE LYS A 46 -2.714 12.723 5.943 1.00 0.00 C ATOM 746 NZ LYS A 46 -1.681 13.245 6.866 1.00 0.00 N ATOM 0 H LYS A 46 -1.688 13.529 1.692 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.401 11.042 0.233 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.004 10.217 2.405 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.403 10.915 2.548 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.902 13.098 3.229 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.994 11.829 3.748 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.116 10.814 5.109 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.082 12.148 4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.262 13.558 5.507 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -3.433 12.129 6.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.134 13.817 7.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -1.174 12.450 7.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.008 13.835 6.336 1.00 0.00 H new ATOM 760 N GLU A 47 -5.047 11.379 0.831 1.00 0.00 N ATOM 761 CA GLU A 47 -6.494 11.680 0.710 1.00 0.00 C ATOM 762 C GLU A 47 -6.980 12.845 1.593 1.00 0.00 C ATOM 763 O GLU A 47 -6.435 13.055 2.699 1.00 0.00 O ATOM 764 CB GLU A 47 -7.354 10.427 0.947 1.00 0.00 C ATOM 765 CG GLU A 47 -7.148 9.756 2.310 1.00 0.00 C ATOM 766 CD GLU A 47 -8.318 8.839 2.640 1.00 0.00 C ATOM 767 OE1 GLU A 47 -8.560 7.874 1.883 1.00 0.00 O ATOM 768 OE2 GLU A 47 -8.998 9.091 3.662 1.00 0.00 O ATOM 769 OXT GLU A 47 -7.921 13.543 1.157 1.00 0.00 O ATOM 0 H GLU A 47 -4.865 10.398 1.042 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.623 12.013 -0.320 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.405 10.700 0.847 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.137 9.701 0.164 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.221 9.183 2.302 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.046 10.517 3.084 1.00 0.00 H new TER 776 GLU A 47