USER MOD reduce.3.24.130724 H: found=0, std=0, add=288, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 291 hydrogens (3 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 GLN : amide:sc= -0.757 K(o=2.5,f=-0.27) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -168:sc= 2.05 (180deg=1.31) USER MOD Set 1.3: A 30 LYS NZ :NH3+ -168:sc= 1.24 (180deg=1.19) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -84:sc= 0.534 USER MOD Single : A 8 GLN : amide:sc= 0.446 X(o=0.45,f=0) USER MOD Single : A 12 MET CE :methyl -171:sc= 0 (180deg=-0.0861) USER MOD Single : A 13 THR OG1 : rot 113:sc= 0.355 USER MOD Single : A 18 SER OG : rot 79:sc= 0.925 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.63 K(o=-0.63,f=-6.5!) USER MOD Single : A 27 ASN : amide:sc= 0.112 X(o=0.11,f=-0.29) USER MOD Single : A 32 LYS NZ :NH3+ 143:sc= 1.42 (180deg=0.742) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 7.568 5.689 -0.659 1.00 0.00 C HETATM 2 O ACE A 0 8.033 4.965 -1.538 1.00 0.00 O HETATM 3 CH3 ACE A 0 8.495 6.414 0.308 1.00 0.00 C HETATM 0 H1 ACE A 0 8.344 7.490 0.219 1.00 0.00 H new HETATM 0 H2 ACE A 0 8.275 6.099 1.328 1.00 0.00 H new HETATM 0 H3 ACE A 0 9.531 6.172 0.069 1.00 0.00 H new ATOM 7 N LEU A 1 6.255 5.883 -0.488 1.00 0.00 N ATOM 8 CA LEU A 1 5.229 5.254 -1.306 1.00 0.00 C ATOM 9 C LEU A 1 3.919 6.023 -1.145 1.00 0.00 C ATOM 10 O LEU A 1 3.471 6.245 -0.022 1.00 0.00 O ATOM 11 CB LEU A 1 5.064 3.787 -0.877 1.00 0.00 C ATOM 12 CG LEU A 1 3.913 3.056 -1.587 1.00 0.00 C ATOM 13 CD1 LEU A 1 4.098 3.016 -3.105 1.00 0.00 C ATOM 14 CD2 LEU A 1 3.825 1.621 -1.071 1.00 0.00 C ATOM 0 H LEU A 1 5.876 6.493 0.237 1.00 0.00 H new ATOM 0 HA LEU A 1 5.517 5.275 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 1 5.995 3.255 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.896 3.750 0.199 1.00 0.00 H new ATOM 0 HG LEU A 1 2.998 3.608 -1.370 1.00 0.00 H new ATOM 0 HD11 LEU A 1 3.259 2.489 -3.560 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.141 4.034 -3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 1 5.026 2.497 -3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.009 1.103 -1.574 1.00 0.00 H new ATOM 0 HD22 LEU A 1 4.763 1.104 -1.273 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.640 1.631 0.003 1.00 0.00 H new ATOM 26 N SER A 2 3.292 6.403 -2.267 1.00 0.00 N ATOM 27 CA SER A 2 1.958 6.984 -2.263 1.00 0.00 C ATOM 28 C SER A 2 0.923 5.887 -2.009 1.00 0.00 C ATOM 29 O SER A 2 1.058 4.772 -2.511 1.00 0.00 O ATOM 30 CB SER A 2 1.684 7.708 -3.586 1.00 0.00 C ATOM 31 OG SER A 2 1.650 6.802 -4.669 1.00 0.00 O ATOM 0 H SER A 2 3.701 6.313 -3.197 1.00 0.00 H new ATOM 0 HA SER A 2 1.888 7.721 -1.463 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.734 8.238 -3.523 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.456 8.457 -3.760 1.00 0.00 H new ATOM 0 HG SER A 2 1.472 7.291 -5.499 1.00 0.00 H new ATOM 37 N ILE A 3 -0.118 6.212 -1.234 1.00 0.00 N ATOM 38 CA ILE A 3 -1.179 5.290 -0.862 1.00 0.00 C ATOM 39 C ILE A 3 -1.844 4.702 -2.116 1.00 0.00 C ATOM 40 O ILE A 3 -2.262 3.544 -2.113 1.00 0.00 O ATOM 41 CB ILE A 3 -2.163 6.029 0.080 1.00 0.00 C ATOM 42 CG1 ILE A 3 -1.951 5.459 1.490 1.00 0.00 C ATOM 43 CG2 ILE A 3 -3.638 5.894 -0.339 1.00 0.00 C ATOM 44 CD1 ILE A 3 -2.832 6.096 2.568 1.00 0.00 C ATOM 0 H ILE A 3 -0.242 7.146 -0.843 1.00 0.00 H new ATOM 0 HA ILE A 3 -0.782 4.434 -0.316 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.952 7.097 0.036 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -2.143 4.386 1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -0.905 5.590 1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.268 6.436 0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.772 6.309 -1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.920 4.841 -0.342 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.618 5.635 3.532 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.625 7.165 2.623 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -3.882 5.942 2.318 1.00 0.00 H new ATOM 56 N GLU A 4 -1.932 5.487 -3.196 1.00 0.00 N ATOM 57 CA GLU A 4 -2.540 5.047 -4.438 1.00 0.00 C ATOM 58 C GLU A 4 -1.702 3.955 -5.093 1.00 0.00 C ATOM 59 O GLU A 4 -2.243 2.937 -5.524 1.00 0.00 O ATOM 60 CB GLU A 4 -2.721 6.243 -5.385 1.00 0.00 C ATOM 61 CG GLU A 4 -3.964 7.071 -5.034 1.00 0.00 C ATOM 62 CD GLU A 4 -5.257 6.269 -5.160 1.00 0.00 C ATOM 63 OE1 GLU A 4 -5.916 6.025 -4.152 1.00 0.00 O ATOM 64 OE2 GLU A 4 -5.592 5.866 -6.418 1.00 0.00 O ATOM 0 H GLU A 4 -1.581 6.444 -3.224 1.00 0.00 H new ATOM 0 HA GLU A 4 -3.521 4.626 -4.219 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.837 6.879 -5.339 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -2.802 5.884 -6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -3.871 7.446 -4.015 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -4.014 7.940 -5.690 1.00 0.00 H new ATOM 72 N ASP A 5 -0.383 4.159 -5.160 1.00 0.00 N ATOM 73 CA ASP A 5 0.536 3.171 -5.698 1.00 0.00 C ATOM 74 C ASP A 5 0.542 1.911 -4.831 1.00 0.00 C ATOM 75 O ASP A 5 0.620 0.806 -5.364 1.00 0.00 O ATOM 76 CB ASP A 5 1.922 3.801 -5.827 1.00 0.00 C ATOM 77 CG ASP A 5 2.941 2.896 -6.521 1.00 0.00 C ATOM 78 OD1 ASP A 5 2.560 2.001 -7.272 1.00 0.00 O ATOM 79 OD2 ASP A 5 4.250 3.169 -6.256 1.00 0.00 O ATOM 0 H ASP A 5 0.070 5.015 -4.841 1.00 0.00 H new ATOM 0 HA ASP A 5 0.212 2.858 -6.691 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.838 4.734 -6.384 1.00 0.00 H new ATOM 0 HB3 ASP A 5 2.291 4.055 -4.833 1.00 0.00 H new ATOM 85 N PHE A 6 0.420 2.066 -3.506 1.00 0.00 N ATOM 86 CA PHE A 6 0.266 0.924 -2.611 1.00 0.00 C ATOM 87 C PHE A 6 -0.947 0.077 -3.010 1.00 0.00 C ATOM 88 O PHE A 6 -0.792 -1.092 -3.357 1.00 0.00 O ATOM 89 CB PHE A 6 0.146 1.333 -1.131 1.00 0.00 C ATOM 90 CG PHE A 6 -0.083 0.111 -0.264 1.00 0.00 C ATOM 91 CD1 PHE A 6 0.979 -0.767 0.031 1.00 0.00 C ATOM 92 CD2 PHE A 6 -1.324 -0.070 0.368 1.00 0.00 C ATOM 93 CE1 PHE A 6 0.878 -1.637 1.130 1.00 0.00 C ATOM 94 CE2 PHE A 6 -1.421 -0.928 1.474 1.00 0.00 C ATOM 95 CZ PHE A 6 -0.302 -1.669 1.890 1.00 0.00 C ATOM 0 H PHE A 6 0.426 2.971 -3.036 1.00 0.00 H new ATOM 0 HA PHE A 6 1.176 0.334 -2.715 1.00 0.00 H new ATOM 0 HB2 PHE A 6 1.053 1.847 -0.814 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.678 2.035 -1.006 1.00 0.00 H new ATOM 0 HD1 PHE A 6 1.866 -0.771 -0.585 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -2.199 0.448 0.005 1.00 0.00 H new ATOM 0 HE1 PHE A 6 1.706 -2.280 1.389 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -2.356 -1.019 2.006 1.00 0.00 H new ATOM 0 HZ PHE A 6 -0.350 -2.261 2.792 1.00 0.00 H new ATOM 105 N THR A 7 -2.147 0.663 -2.926 1.00 0.00 N ATOM 106 CA THR A 7 -3.411 -0.022 -3.101 1.00 0.00 C ATOM 107 C THR A 7 -3.484 -0.737 -4.448 1.00 0.00 C ATOM 108 O THR A 7 -3.824 -1.917 -4.485 1.00 0.00 O ATOM 109 CB THR A 7 -4.549 0.993 -2.941 1.00 0.00 C ATOM 110 OG1 THR A 7 -4.306 2.165 -3.690 1.00 0.00 O ATOM 111 CG2 THR A 7 -4.782 1.370 -1.477 1.00 0.00 C ATOM 0 H THR A 7 -2.257 1.658 -2.728 1.00 0.00 H new ATOM 0 HA THR A 7 -3.507 -0.795 -2.339 1.00 0.00 H new ATOM 0 HB THR A 7 -5.447 0.505 -3.321 1.00 0.00 H new ATOM 0 HG1 THR A 7 -3.737 2.772 -3.172 1.00 0.00 H new ATOM 0 HG21 THR A 7 -5.597 2.091 -1.412 1.00 0.00 H new ATOM 0 HG22 THR A 7 -5.041 0.477 -0.908 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.874 1.811 -1.066 1.00 0.00 H new ATOM 119 N GLN A 8 -3.158 -0.049 -5.549 1.00 0.00 N ATOM 120 CA GLN A 8 -3.233 -0.653 -6.876 1.00 0.00 C ATOM 121 C GLN A 8 -2.254 -1.823 -7.042 1.00 0.00 C ATOM 122 O GLN A 8 -2.516 -2.720 -7.841 1.00 0.00 O ATOM 123 CB GLN A 8 -3.049 0.415 -7.964 1.00 0.00 C ATOM 124 CG GLN A 8 -1.601 0.900 -8.085 1.00 0.00 C ATOM 125 CD GLN A 8 -1.500 2.142 -8.964 1.00 0.00 C ATOM 126 OE1 GLN A 8 -1.015 2.074 -10.090 1.00 0.00 O ATOM 127 NE2 GLN A 8 -1.957 3.284 -8.447 1.00 0.00 N ATOM 0 H GLN A 8 -2.842 0.921 -5.543 1.00 0.00 H new ATOM 0 HA GLN A 8 -4.229 -1.080 -6.990 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -3.372 0.009 -8.923 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -3.694 1.265 -7.744 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -1.206 1.121 -7.093 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -0.984 0.105 -8.504 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -2.353 3.296 -7.507 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -1.911 4.145 -8.992 1.00 0.00 H new ATOM 136 N ALA A 9 -1.146 -1.830 -6.285 1.00 0.00 N ATOM 137 CA ALA A 9 -0.121 -2.865 -6.360 1.00 0.00 C ATOM 138 C ALA A 9 -0.368 -4.005 -5.360 1.00 0.00 C ATOM 139 O ALA A 9 0.546 -4.786 -5.098 1.00 0.00 O ATOM 140 CB ALA A 9 1.256 -2.223 -6.137 1.00 0.00 C ATOM 0 H ALA A 9 -0.941 -1.105 -5.597 1.00 0.00 H new ATOM 0 HA ALA A 9 -0.160 -3.316 -7.351 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.028 -2.990 -6.191 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.436 -1.472 -6.906 1.00 0.00 H new ATOM 0 HB3 ALA A 9 1.282 -1.751 -5.155 1.00 0.00 H new ATOM 146 N PHE A 10 -1.580 -4.119 -4.795 1.00 0.00 N ATOM 147 CA PHE A 10 -1.872 -5.111 -3.764 1.00 0.00 C ATOM 148 C PHE A 10 -3.313 -5.609 -3.829 1.00 0.00 C ATOM 149 O PHE A 10 -3.555 -6.803 -3.657 1.00 0.00 O ATOM 150 CB PHE A 10 -1.564 -4.527 -2.375 1.00 0.00 C ATOM 151 CG PHE A 10 -0.382 -5.195 -1.711 1.00 0.00 C ATOM 152 CD1 PHE A 10 -0.551 -6.408 -1.018 1.00 0.00 C ATOM 153 CD2 PHE A 10 0.898 -4.623 -1.823 1.00 0.00 C ATOM 154 CE1 PHE A 10 0.564 -7.066 -0.470 1.00 0.00 C ATOM 155 CE2 PHE A 10 2.006 -5.268 -1.252 1.00 0.00 C ATOM 156 CZ PHE A 10 1.841 -6.493 -0.585 1.00 0.00 C ATOM 0 H PHE A 10 -2.375 -3.529 -5.041 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.231 -5.974 -3.946 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.367 -3.459 -2.470 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -2.442 -4.634 -1.738 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.537 -6.834 -0.907 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.028 -3.688 -2.348 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.439 -8.011 0.039 1.00 0.00 H new ATOM 0 HE2 PHE A 10 2.987 -4.822 -1.326 1.00 0.00 H new ATOM 0 HZ PHE A 10 2.698 -6.995 -0.160 1.00 0.00 H new ATOM 166 N GLY A 11 -4.266 -4.696 -4.026 1.00 0.00 N ATOM 167 CA GLY A 11 -5.684 -4.991 -3.895 1.00 0.00 C ATOM 168 C GLY A 11 -6.084 -5.103 -2.421 1.00 0.00 C ATOM 169 O GLY A 11 -7.034 -5.815 -2.100 1.00 0.00 O ATOM 0 H GLY A 11 -4.069 -3.728 -4.282 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.269 -4.207 -4.376 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.915 -5.923 -4.411 1.00 0.00 H new ATOM 173 N MET A 12 -5.352 -4.415 -1.531 1.00 0.00 N ATOM 174 CA MET A 12 -5.612 -4.357 -0.099 1.00 0.00 C ATOM 175 C MET A 12 -5.489 -2.910 0.360 1.00 0.00 C ATOM 176 O MET A 12 -4.943 -2.062 -0.342 1.00 0.00 O ATOM 177 CB MET A 12 -4.631 -5.269 0.652 1.00 0.00 C ATOM 178 CG MET A 12 -4.986 -5.546 2.119 1.00 0.00 C ATOM 179 SD MET A 12 -4.504 -7.190 2.730 1.00 0.00 S ATOM 180 CE MET A 12 -2.708 -7.016 2.896 1.00 0.00 C ATOM 0 H MET A 12 -4.537 -3.868 -1.806 1.00 0.00 H new ATOM 0 HA MET A 12 -6.620 -4.712 0.117 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.569 -6.221 0.124 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.639 -4.818 0.614 1.00 0.00 H new ATOM 0 HG2 MET A 12 -4.509 -4.789 2.742 1.00 0.00 H new ATOM 0 HG3 MET A 12 -6.062 -5.430 2.245 1.00 0.00 H new ATOM 0 HE1 MET A 12 -2.266 -7.990 3.107 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.293 -6.622 1.968 1.00 0.00 H new ATOM 0 HE3 MET A 12 -2.483 -6.331 3.713 1.00 0.00 H new ATOM 190 N THR A 13 -6.007 -2.655 1.560 1.00 0.00 N ATOM 191 CA THR A 13 -5.980 -1.357 2.216 1.00 0.00 C ATOM 192 C THR A 13 -4.649 -1.127 2.933 1.00 0.00 C ATOM 193 O THR A 13 -4.069 -2.067 3.477 1.00 0.00 O ATOM 194 CB THR A 13 -7.205 -1.168 3.143 1.00 0.00 C ATOM 195 OG1 THR A 13 -6.825 -0.642 4.391 1.00 0.00 O ATOM 196 CG2 THR A 13 -7.985 -2.448 3.468 1.00 0.00 C ATOM 0 H THR A 13 -6.471 -3.372 2.117 1.00 0.00 H new ATOM 0 HA THR A 13 -6.055 -0.586 1.449 1.00 0.00 H new ATOM 0 HB THR A 13 -7.842 -0.497 2.567 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.186 0.264 4.488 1.00 0.00 H new ATOM 0 HG21 THR A 13 -8.822 -2.207 4.123 1.00 0.00 H new ATOM 0 HG22 THR A 13 -8.361 -2.889 2.545 1.00 0.00 H new ATOM 0 HG23 THR A 13 -7.326 -3.159 3.967 1.00 0.00 H new ATOM 204 N PRO A 14 -4.175 0.130 2.966 1.00 0.00 N ATOM 205 CA PRO A 14 -3.023 0.522 3.752 1.00 0.00 C ATOM 206 C PRO A 14 -3.324 0.396 5.248 1.00 0.00 C ATOM 207 O PRO A 14 -2.385 0.265 6.027 1.00 0.00 O ATOM 208 CB PRO A 14 -2.719 1.965 3.349 1.00 0.00 C ATOM 209 CG PRO A 14 -4.090 2.513 2.962 1.00 0.00 C ATOM 210 CD PRO A 14 -4.796 1.300 2.363 1.00 0.00 C ATOM 0 HA PRO A 14 -2.162 -0.120 3.566 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -2.277 2.528 4.171 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.017 2.012 2.517 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -4.626 2.904 3.827 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -4.009 3.328 2.242 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.865 1.327 2.576 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -4.688 1.283 1.279 1.00 0.00 H new ATOM 218 N ALA A 15 -4.603 0.408 5.658 1.00 0.00 N ATOM 219 CA ALA A 15 -4.960 0.206 7.059 1.00 0.00 C ATOM 220 C ALA A 15 -4.727 -1.254 7.452 1.00 0.00 C ATOM 221 O ALA A 15 -4.096 -1.524 8.473 1.00 0.00 O ATOM 222 CB ALA A 15 -6.404 0.640 7.327 1.00 0.00 C ATOM 0 H ALA A 15 -5.399 0.555 5.037 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.318 0.832 7.679 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.643 0.479 8.378 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.517 1.697 7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.081 0.053 6.706 1.00 0.00 H new ATOM 228 N ALA A 16 -5.201 -2.193 6.619 1.00 0.00 N ATOM 229 CA ALA A 16 -4.922 -3.616 6.781 1.00 0.00 C ATOM 230 C ALA A 16 -3.417 -3.872 6.797 1.00 0.00 C ATOM 231 O ALA A 16 -2.931 -4.660 7.607 1.00 0.00 O ATOM 232 CB ALA A 16 -5.577 -4.419 5.652 1.00 0.00 C ATOM 0 H ALA A 16 -5.790 -1.979 5.814 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.340 -3.939 7.734 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.360 -5.479 5.786 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -6.656 -4.264 5.673 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.182 -4.086 4.692 1.00 0.00 H new ATOM 238 N PHE A 17 -2.683 -3.192 5.912 1.00 0.00 N ATOM 239 CA PHE A 17 -1.234 -3.273 5.859 1.00 0.00 C ATOM 240 C PHE A 17 -0.637 -2.816 7.194 1.00 0.00 C ATOM 241 O PHE A 17 0.159 -3.537 7.793 1.00 0.00 O ATOM 242 CB PHE A 17 -0.716 -2.443 4.667 1.00 0.00 C ATOM 243 CG PHE A 17 0.325 -3.147 3.824 1.00 0.00 C ATOM 244 CD1 PHE A 17 0.005 -4.391 3.256 1.00 0.00 C ATOM 245 CD2 PHE A 17 1.584 -2.571 3.577 1.00 0.00 C ATOM 246 CE1 PHE A 17 0.953 -5.088 2.498 1.00 0.00 C ATOM 247 CE2 PHE A 17 2.555 -3.293 2.858 1.00 0.00 C ATOM 248 CZ PHE A 17 2.244 -4.563 2.340 1.00 0.00 C ATOM 0 H PHE A 17 -3.086 -2.569 5.212 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.919 -4.305 5.703 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -1.560 -2.175 4.032 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.292 -1.512 5.044 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.978 -4.812 3.405 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.805 -1.577 3.938 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.691 -6.028 2.036 1.00 0.00 H new ATOM 0 HE2 PHE A 17 3.538 -2.872 2.704 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.999 -5.134 1.821 1.00 0.00 H new ATOM 258 N SER A 18 -1.062 -1.639 7.668 1.00 0.00 N ATOM 259 CA SER A 18 -0.554 -0.987 8.872 1.00 0.00 C ATOM 260 C SER A 18 -0.792 -1.821 10.128 1.00 0.00 C ATOM 261 O SER A 18 -0.002 -1.736 11.066 1.00 0.00 O ATOM 262 CB SER A 18 -1.155 0.412 9.030 1.00 0.00 C ATOM 263 OG SER A 18 -0.676 1.262 8.010 1.00 0.00 O ATOM 0 H SER A 18 -1.794 -1.099 7.206 1.00 0.00 H new ATOM 0 HA SER A 18 0.525 -0.892 8.750 1.00 0.00 H new ATOM 0 HB2 SER A 18 -2.243 0.356 8.987 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.895 0.820 10.007 1.00 0.00 H new ATOM 0 HG SER A 18 -1.169 1.088 7.181 1.00 0.00 H new ATOM 269 N ALA A 19 -1.864 -2.622 10.147 1.00 0.00 N ATOM 270 CA ALA A 19 -2.177 -3.516 11.252 1.00 0.00 C ATOM 271 C ALA A 19 -1.036 -4.496 11.544 1.00 0.00 C ATOM 272 O ALA A 19 -0.842 -4.869 12.700 1.00 0.00 O ATOM 273 CB ALA A 19 -3.472 -4.271 10.951 1.00 0.00 C ATOM 0 H ALA A 19 -2.541 -2.663 9.385 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.309 -2.909 12.147 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.704 -4.940 11.780 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.287 -3.559 10.820 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.350 -4.854 10.038 1.00 0.00 H new ATOM 279 N LEU A 20 -0.281 -4.913 10.517 1.00 0.00 N ATOM 280 CA LEU A 20 0.849 -5.820 10.709 1.00 0.00 C ATOM 281 C LEU A 20 2.055 -5.032 11.233 1.00 0.00 C ATOM 282 O LEU A 20 2.142 -3.833 10.976 1.00 0.00 O ATOM 283 CB LEU A 20 1.263 -6.497 9.389 1.00 0.00 C ATOM 284 CG LEU A 20 0.128 -6.900 8.433 1.00 0.00 C ATOM 285 CD1 LEU A 20 0.751 -7.370 7.114 1.00 0.00 C ATOM 286 CD2 LEU A 20 -0.743 -8.005 9.040 1.00 0.00 C ATOM 0 H LEU A 20 -0.436 -4.634 9.548 1.00 0.00 H new ATOM 0 HA LEU A 20 0.538 -6.585 11.421 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.933 -5.822 8.856 1.00 0.00 H new ATOM 0 HB3 LEU A 20 1.837 -7.391 9.631 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.519 -6.041 8.257 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.039 -7.661 6.422 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.335 -6.559 6.678 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.401 -8.225 7.303 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.536 -8.268 8.341 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.129 -8.883 9.240 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.184 -7.650 9.972 1.00 0.00 H new ATOM 298 N PRO A 21 3.020 -5.673 11.916 1.00 0.00 N ATOM 299 CA PRO A 21 4.291 -5.042 12.232 1.00 0.00 C ATOM 300 C PRO A 21 4.971 -4.546 10.956 1.00 0.00 C ATOM 301 O PRO A 21 4.938 -5.215 9.922 1.00 0.00 O ATOM 302 CB PRO A 21 5.144 -6.097 12.939 1.00 0.00 C ATOM 303 CG PRO A 21 4.436 -7.421 12.644 1.00 0.00 C ATOM 304 CD PRO A 21 2.975 -7.015 12.466 1.00 0.00 C ATOM 0 HA PRO A 21 4.152 -4.172 12.874 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.166 -6.100 12.560 1.00 0.00 H new ATOM 0 HB3 PRO A 21 5.202 -5.908 14.011 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.832 -7.896 11.747 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.558 -8.132 13.461 1.00 0.00 H new ATOM 0 HD2 PRO A 21 2.455 -7.699 11.795 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.442 -7.034 13.417 1.00 0.00 H new ATOM 312 N ARG A 22 5.567 -3.353 11.049 1.00 0.00 N ATOM 313 CA ARG A 22 6.120 -2.606 9.932 1.00 0.00 C ATOM 314 C ARG A 22 7.144 -3.416 9.134 1.00 0.00 C ATOM 315 O ARG A 22 7.204 -3.284 7.914 1.00 0.00 O ATOM 316 CB ARG A 22 6.733 -1.305 10.472 1.00 0.00 C ATOM 317 CG ARG A 22 7.097 -0.305 9.364 1.00 0.00 C ATOM 318 CD ARG A 22 6.221 0.954 9.410 1.00 0.00 C ATOM 319 NE ARG A 22 4.806 0.675 9.111 1.00 0.00 N ATOM 320 CZ ARG A 22 3.786 1.508 9.391 1.00 0.00 C ATOM 321 NH1 ARG A 22 3.995 2.662 10.041 1.00 0.00 N ATOM 322 NH2 ARG A 22 2.541 1.192 9.011 1.00 0.00 N ATOM 0 H ARG A 22 5.678 -2.870 11.940 1.00 0.00 H new ATOM 0 HA ARG A 22 5.316 -2.376 9.232 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.029 -0.836 11.159 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.628 -1.543 11.047 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.145 -0.021 9.463 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.988 -0.786 8.392 1.00 0.00 H new ATOM 0 HD2 ARG A 22 6.296 1.408 10.398 1.00 0.00 H new ATOM 0 HD3 ARG A 22 6.602 1.683 8.695 1.00 0.00 H new ATOM 0 HE ARG A 22 4.583 -0.212 8.660 1.00 0.00 H new ATOM 0 HH11 ARG A 22 4.938 2.920 10.331 1.00 0.00 H new ATOM 0 HH12 ARG A 22 3.211 3.282 10.245 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.366 0.321 8.510 1.00 0.00 H new ATOM 0 HH22 ARG A 22 1.768 1.822 9.223 1.00 0.00 H new ATOM 336 N TRP A 23 7.941 -4.261 9.799 1.00 0.00 N ATOM 337 CA TRP A 23 8.938 -5.070 9.108 1.00 0.00 C ATOM 338 C TRP A 23 8.267 -6.058 8.148 1.00 0.00 C ATOM 339 O TRP A 23 8.694 -6.197 7.004 1.00 0.00 O ATOM 340 CB TRP A 23 9.856 -5.766 10.123 1.00 0.00 C ATOM 341 CG TRP A 23 9.320 -7.034 10.721 1.00 0.00 C ATOM 342 CD1 TRP A 23 8.698 -7.136 11.914 1.00 0.00 C ATOM 343 CD2 TRP A 23 9.303 -8.379 10.151 1.00 0.00 C ATOM 344 NE1 TRP A 23 8.240 -8.424 12.100 1.00 0.00 N ATOM 345 CE2 TRP A 23 8.568 -9.229 11.028 1.00 0.00 C ATOM 346 CE3 TRP A 23 9.780 -8.954 8.951 1.00 0.00 C ATOM 347 CZ2 TRP A 23 8.304 -10.572 10.723 1.00 0.00 C ATOM 348 CZ3 TRP A 23 9.523 -10.301 8.637 1.00 0.00 C ATOM 349 CH2 TRP A 23 8.782 -11.109 9.517 1.00 0.00 C ATOM 0 H TRP A 23 7.911 -4.398 10.809 1.00 0.00 H new ATOM 0 HA TRP A 23 9.565 -4.419 8.499 1.00 0.00 H new ATOM 0 HB2 TRP A 23 10.805 -5.989 9.635 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.070 -5.067 10.931 1.00 0.00 H new ATOM 0 HD1 TRP A 23 8.576 -6.328 12.620 1.00 0.00 H new ATOM 0 HE1 TRP A 23 7.726 -8.740 12.922 1.00 0.00 H new ATOM 0 HE3 TRP A 23 10.352 -8.349 8.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 7.739 -11.187 11.408 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 9.898 -10.717 7.714 1.00 0.00 H new ATOM 0 HH2 TRP A 23 8.581 -12.140 9.266 1.00 0.00 H new ATOM 360 N LYS A 24 7.219 -6.741 8.625 1.00 0.00 N ATOM 361 CA LYS A 24 6.552 -7.809 7.903 1.00 0.00 C ATOM 362 C LYS A 24 5.834 -7.231 6.700 1.00 0.00 C ATOM 363 O LYS A 24 6.052 -7.649 5.569 1.00 0.00 O ATOM 364 CB LYS A 24 5.562 -8.516 8.835 1.00 0.00 C ATOM 365 CG LYS A 24 5.131 -9.864 8.249 1.00 0.00 C ATOM 366 CD LYS A 24 4.260 -10.657 9.228 1.00 0.00 C ATOM 367 CE LYS A 24 3.027 -9.853 9.653 1.00 0.00 C ATOM 368 NZ LYS A 24 2.069 -10.683 10.406 1.00 0.00 N ATOM 0 H LYS A 24 6.810 -6.556 9.541 1.00 0.00 H new ATOM 0 HA LYS A 24 7.285 -8.537 7.557 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.021 -8.669 9.812 1.00 0.00 H new ATOM 0 HB3 LYS A 24 4.687 -7.885 8.989 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.579 -9.698 7.324 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.015 -10.448 7.993 1.00 0.00 H new ATOM 0 HD2 LYS A 24 3.945 -11.591 8.763 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.846 -10.921 10.108 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.337 -9.008 10.267 1.00 0.00 H new ATOM 0 HE3 LYS A 24 2.538 -9.443 8.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 1.248 -10.106 10.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 1.754 -11.476 9.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 2.529 -11.054 11.262 1.00 0.00 H new ATOM 382 N GLN A 25 5.000 -6.241 6.991 1.00 0.00 N ATOM 383 CA GLN A 25 4.319 -5.352 6.081 1.00 0.00 C ATOM 384 C GLN A 25 5.203 -4.990 4.885 1.00 0.00 C ATOM 385 O GLN A 25 4.823 -5.244 3.745 1.00 0.00 O ATOM 386 CB GLN A 25 3.964 -4.158 6.957 1.00 0.00 C ATOM 387 CG GLN A 25 3.062 -3.098 6.351 1.00 0.00 C ATOM 388 CD GLN A 25 2.810 -1.993 7.373 1.00 0.00 C ATOM 389 OE1 GLN A 25 2.829 -0.816 7.025 1.00 0.00 O ATOM 390 NE2 GLN A 25 2.597 -2.356 8.644 1.00 0.00 N ATOM 0 H GLN A 25 4.767 -6.027 7.961 1.00 0.00 H new ATOM 0 HA GLN A 25 3.434 -5.791 5.621 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.485 -4.533 7.861 1.00 0.00 H new ATOM 0 HB3 GLN A 25 4.892 -3.676 7.264 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.525 -2.681 5.456 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.117 -3.544 6.042 1.00 0.00 H new ATOM 0 HE21 GLN A 25 2.588 -3.344 8.898 1.00 0.00 H new ATOM 0 HE22 GLN A 25 2.444 -1.645 9.359 1.00 0.00 H new ATOM 399 N GLN A 26 6.396 -4.435 5.129 1.00 0.00 N ATOM 400 CA GLN A 26 7.283 -4.028 4.057 1.00 0.00 C ATOM 401 C GLN A 26 7.864 -5.258 3.358 1.00 0.00 C ATOM 402 O GLN A 26 7.988 -5.258 2.137 1.00 0.00 O ATOM 403 CB GLN A 26 8.381 -3.137 4.646 1.00 0.00 C ATOM 404 CG GLN A 26 8.320 -1.740 4.030 1.00 0.00 C ATOM 405 CD GLN A 26 8.863 -1.605 2.604 1.00 0.00 C ATOM 406 OE1 GLN A 26 8.737 -0.538 2.007 1.00 0.00 O ATOM 407 NE2 GLN A 26 9.440 -2.663 2.030 1.00 0.00 N ATOM 0 H GLN A 26 6.761 -4.261 6.065 1.00 0.00 H new ATOM 0 HA GLN A 26 6.736 -3.460 3.304 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.263 -3.070 5.728 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.358 -3.582 4.459 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.281 -1.409 4.034 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.875 -1.057 4.674 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.532 -3.537 2.548 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.789 -2.597 1.074 1.00 0.00 H new ATOM 416 N ASN A 27 8.209 -6.305 4.121 1.00 0.00 N ATOM 417 CA ASN A 27 8.711 -7.563 3.587 1.00 0.00 C ATOM 418 C ASN A 27 7.753 -8.166 2.549 1.00 0.00 C ATOM 419 O ASN A 27 8.227 -8.713 1.556 1.00 0.00 O ATOM 420 CB ASN A 27 9.031 -8.537 4.731 1.00 0.00 C ATOM 421 CG ASN A 27 9.502 -9.894 4.222 1.00 0.00 C ATOM 422 OD1 ASN A 27 8.751 -10.866 4.258 1.00 0.00 O ATOM 423 ND2 ASN A 27 10.747 -9.966 3.755 1.00 0.00 N ATOM 0 H ASN A 27 8.143 -6.294 5.139 1.00 0.00 H new ATOM 0 HA ASN A 27 9.641 -7.364 3.054 1.00 0.00 H new ATOM 0 HB2 ASN A 27 9.801 -8.104 5.369 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.143 -8.672 5.349 1.00 0.00 H new ATOM 0 HD21 ASN A 27 11.111 -10.854 3.409 1.00 0.00 H new ATOM 0 HD22 ASN A 27 11.336 -9.134 3.744 1.00 0.00 H new ATOM 430 N LEU A 28 6.429 -8.039 2.734 1.00 0.00 N ATOM 431 CA LEU A 28 5.443 -8.500 1.755 1.00 0.00 C ATOM 432 C LEU A 28 5.727 -7.868 0.388 1.00 0.00 C ATOM 433 O LEU A 28 5.904 -8.558 -0.616 1.00 0.00 O ATOM 434 CB LEU A 28 3.997 -8.150 2.174 1.00 0.00 C ATOM 435 CG LEU A 28 3.586 -8.447 3.623 1.00 0.00 C ATOM 436 CD1 LEU A 28 2.093 -8.184 3.834 1.00 0.00 C ATOM 437 CD2 LEU A 28 3.898 -9.878 4.036 1.00 0.00 C ATOM 0 H LEU A 28 6.017 -7.615 3.565 1.00 0.00 H new ATOM 0 HA LEU A 28 5.530 -9.585 1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.842 -7.086 1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.316 -8.688 1.514 1.00 0.00 H new ATOM 0 HG LEU A 28 4.174 -7.775 4.248 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.828 -8.402 4.869 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.873 -7.139 3.616 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.513 -8.823 3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.587 -10.034 5.069 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.361 -10.569 3.387 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.970 -10.057 3.948 1.00 0.00 H new ATOM 449 N LYS A 29 5.760 -6.535 0.377 1.00 0.00 N ATOM 450 CA LYS A 29 5.896 -5.687 -0.795 1.00 0.00 C ATOM 451 C LYS A 29 7.284 -5.835 -1.429 1.00 0.00 C ATOM 452 O LYS A 29 7.417 -5.792 -2.652 1.00 0.00 O ATOM 453 CB LYS A 29 5.603 -4.259 -0.313 1.00 0.00 C ATOM 454 CG LYS A 29 5.377 -3.232 -1.426 1.00 0.00 C ATOM 455 CD LYS A 29 4.651 -1.994 -0.879 1.00 0.00 C ATOM 456 CE LYS A 29 5.331 -1.355 0.342 1.00 0.00 C ATOM 457 NZ LYS A 29 6.697 -0.903 0.037 1.00 0.00 N ATOM 0 H LYS A 29 5.688 -5.993 1.238 1.00 0.00 H new ATOM 0 HA LYS A 29 5.201 -5.967 -1.587 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.719 -4.281 0.325 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.435 -3.923 0.307 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.334 -2.938 -1.857 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.790 -3.680 -2.228 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.578 -1.249 -1.672 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.632 -2.273 -0.609 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.737 -0.508 0.686 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.361 -2.076 1.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.190 -0.668 0.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.212 -1.661 -0.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.656 -0.060 -0.571 1.00 0.00 H new ATOM 471 N LYS A 30 8.314 -6.038 -0.600 1.00 0.00 N ATOM 472 CA LYS A 30 9.688 -6.194 -1.018 1.00 0.00 C ATOM 473 C LYS A 30 9.891 -7.542 -1.712 1.00 0.00 C ATOM 474 O LYS A 30 10.493 -7.591 -2.782 1.00 0.00 O ATOM 475 CB LYS A 30 10.567 -6.032 0.225 1.00 0.00 C ATOM 476 CG LYS A 30 12.030 -5.893 -0.179 1.00 0.00 C ATOM 477 CD LYS A 30 12.969 -5.721 1.024 1.00 0.00 C ATOM 478 CE LYS A 30 12.666 -4.495 1.896 1.00 0.00 C ATOM 479 NZ LYS A 30 12.667 -3.239 1.123 1.00 0.00 N ATOM 0 H LYS A 30 8.197 -6.098 0.411 1.00 0.00 H new ATOM 0 HA LYS A 30 9.965 -5.437 -1.752 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.253 -5.154 0.789 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.444 -6.894 0.881 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.331 -6.775 -0.745 1.00 0.00 H new ATOM 0 HG3 LYS A 30 12.138 -5.036 -0.843 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.912 -6.616 1.644 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.994 -5.649 0.661 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.694 -4.624 2.373 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.406 -4.428 2.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.661 -2.430 1.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 13.519 -3.198 0.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.821 -3.202 0.519 1.00 0.00 H new ATOM 493 N GLU A 31 9.378 -8.627 -1.119 1.00 0.00 N ATOM 494 CA GLU A 31 9.428 -9.965 -1.701 1.00 0.00 C ATOM 495 C GLU A 31 8.657 -10.020 -3.021 1.00 0.00 C ATOM 496 O GLU A 31 9.107 -10.670 -3.963 1.00 0.00 O ATOM 497 CB GLU A 31 8.886 -10.997 -0.707 1.00 0.00 C ATOM 498 CG GLU A 31 9.890 -11.233 0.431 1.00 0.00 C ATOM 499 CD GLU A 31 9.361 -12.193 1.494 1.00 0.00 C ATOM 500 OE1 GLU A 31 8.173 -12.507 1.506 1.00 0.00 O ATOM 501 OE2 GLU A 31 10.286 -12.642 2.389 1.00 0.00 O ATOM 0 H GLU A 31 8.912 -8.595 -0.212 1.00 0.00 H new ATOM 0 HA GLU A 31 10.469 -10.206 -1.916 1.00 0.00 H new ATOM 0 HB2 GLU A 31 7.938 -10.651 -0.296 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.686 -11.936 -1.223 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.816 -11.631 0.016 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.134 -10.279 0.898 1.00 0.00 H new ATOM 509 N LYS A 32 7.522 -9.313 -3.108 1.00 0.00 N ATOM 510 CA LYS A 32 6.786 -9.157 -4.357 1.00 0.00 C ATOM 511 C LYS A 32 7.595 -8.389 -5.416 1.00 0.00 C ATOM 512 O LYS A 32 7.287 -8.495 -6.601 1.00 0.00 O ATOM 513 CB LYS A 32 5.447 -8.458 -4.089 1.00 0.00 C ATOM 514 CG LYS A 32 4.415 -9.405 -3.466 1.00 0.00 C ATOM 515 CD LYS A 32 3.138 -8.653 -3.066 1.00 0.00 C ATOM 516 CE LYS A 32 2.431 -8.000 -4.262 1.00 0.00 C ATOM 517 NZ LYS A 32 1.158 -7.374 -3.870 1.00 0.00 N ATOM 0 H LYS A 32 7.094 -8.837 -2.314 1.00 0.00 H new ATOM 0 HA LYS A 32 6.601 -10.153 -4.760 1.00 0.00 H new ATOM 0 HB2 LYS A 32 5.608 -7.610 -3.423 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.054 -8.059 -5.024 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.168 -10.194 -4.176 1.00 0.00 H new ATOM 0 HG3 LYS A 32 4.845 -9.888 -2.589 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.452 -9.346 -2.578 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.389 -7.885 -2.335 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.085 -7.248 -4.704 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.245 -8.752 -5.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.023 -6.495 -4.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 0.374 -8.027 -4.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 1.176 -7.157 -2.853 1.00 0.00 H new ATOM 531 N GLY A 33 8.623 -7.629 -5.008 1.00 0.00 N ATOM 532 CA GLY A 33 9.530 -6.937 -5.915 1.00 0.00 C ATOM 533 C GLY A 33 9.089 -5.505 -6.217 1.00 0.00 C ATOM 534 O GLY A 33 9.560 -4.918 -7.190 1.00 0.00 O ATOM 0 H GLY A 33 8.844 -7.481 -4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.529 -6.920 -5.479 1.00 0.00 H new ATOM 0 HA3 GLY A 33 9.599 -7.495 -6.849 1.00 0.00 H new ATOM 538 N LEU A 34 8.186 -4.943 -5.405 1.00 0.00 N ATOM 539 CA LEU A 34 7.663 -3.596 -5.578 1.00 0.00 C ATOM 540 C LEU A 34 8.622 -2.633 -4.878 1.00 0.00 C ATOM 541 O LEU A 34 9.303 -1.847 -5.532 1.00 0.00 O ATOM 542 CB LEU A 34 6.249 -3.510 -4.982 1.00 0.00 C ATOM 543 CG LEU A 34 5.128 -4.126 -5.839 1.00 0.00 C ATOM 544 CD1 LEU A 34 5.495 -5.464 -6.486 1.00 0.00 C ATOM 545 CD2 LEU A 34 3.907 -4.349 -4.942 1.00 0.00 C ATOM 0 H LEU A 34 7.795 -5.426 -4.596 1.00 0.00 H new ATOM 0 HA LEU A 34 7.590 -3.334 -6.633 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.253 -4.004 -4.011 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.012 -2.461 -4.805 1.00 0.00 H new ATOM 0 HG LEU A 34 4.935 -3.426 -6.652 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.651 -5.829 -7.071 1.00 0.00 H new ATOM 0 HD12 LEU A 34 6.358 -5.328 -7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.738 -6.189 -5.709 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.099 -4.785 -5.529 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.171 -5.025 -4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.580 -3.395 -4.528 1.00 0.00 H new ATOM 557 N PHE A 35 8.669 -2.711 -3.544 1.00 0.00 N ATOM 558 CA PHE A 35 9.537 -1.902 -2.699 1.00 0.00 C ATOM 559 C PHE A 35 9.597 -2.541 -1.309 1.00 0.00 C ATOM 560 O PHE A 35 10.720 -2.723 -0.793 1.00 0.00 O ATOM 561 CB PHE A 35 9.006 -0.457 -2.659 1.00 0.00 C ATOM 562 CG PHE A 35 9.575 0.460 -1.586 1.00 0.00 C ATOM 563 CD1 PHE A 35 10.925 0.371 -1.194 1.00 0.00 C ATOM 564 CD2 PHE A 35 8.743 1.427 -0.988 1.00 0.00 C ATOM 565 CE1 PHE A 35 11.412 1.178 -0.151 1.00 0.00 C ATOM 566 CE2 PHE A 35 9.230 2.234 0.054 1.00 0.00 C ATOM 567 CZ PHE A 35 10.562 2.101 0.481 1.00 0.00 C ATOM 568 OXT PHE A 35 8.512 -2.840 -0.770 1.00 0.00 O ATOM 0 H PHE A 35 8.086 -3.358 -3.013 1.00 0.00 H new ATOM 0 HA PHE A 35 10.551 -1.863 -3.097 1.00 0.00 H new ATOM 0 HB2 PHE A 35 9.195 0.000 -3.630 1.00 0.00 H new ATOM 0 HB3 PHE A 35 7.924 -0.497 -2.531 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.587 -0.319 -1.696 1.00 0.00 H new ATOM 0 HD2 PHE A 35 7.726 1.548 -1.332 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.441 1.088 0.165 1.00 0.00 H new ATOM 0 HE2 PHE A 35 8.581 2.956 0.527 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.932 2.708 1.294 1.00 0.00 H new TER 578 PHE A 35