USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 276 hydrogens (5 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 3 LYS NZ :NH3+ -146:sc= -1.34 (180deg=-3.23!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -169:sc= -0.0167 (180deg=-0.152) USER MOD Single : A 7 LYS NZ :NH3+ 169:sc= -0.0217 (180deg=-0.178) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 173:sc=-0.00747 (180deg=-0.0888) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 180:sc= -0.0474 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 0 14.933 -2.226 3.710 1.00 0.00 C HETATM 2 O ACE A 0 14.842 -1.673 4.808 1.00 0.00 O HETATM 3 CH3 ACE A 0 15.142 -1.418 2.457 1.00 0.00 C HETATM 0 H1 ACE A 0 16.075 -1.719 1.981 1.00 0.00 H new HETATM 0 H2 ACE A 0 14.313 -1.590 1.771 1.00 0.00 H new HETATM 0 H3 ACE A 0 15.189 -0.359 2.711 1.00 0.00 H new ATOM 7 N PRO A 1 14.865 -3.558 3.582 1.00 0.00 N ATOM 8 CA PRO A 1 13.803 -4.239 2.831 1.00 0.00 C ATOM 9 C PRO A 1 12.407 -3.802 3.278 1.00 0.00 C ATOM 10 O PRO A 1 12.014 -4.023 4.427 1.00 0.00 O ATOM 11 CB PRO A 1 14.027 -5.719 3.166 1.00 0.00 C ATOM 12 CG PRO A 1 15.464 -5.825 3.531 1.00 0.00 C ATOM 13 CD PRO A 1 15.837 -4.505 4.158 1.00 0.00 C ATOM 0 HA PRO A 1 13.848 -4.014 1.765 1.00 0.00 H new ATOM 0 HB2 PRO A 1 13.387 -6.037 3.989 1.00 0.00 H new ATOM 0 HB3 PRO A 1 13.790 -6.356 2.314 1.00 0.00 H new ATOM 0 HG2 PRO A 1 15.629 -6.647 4.227 1.00 0.00 H new ATOM 0 HG3 PRO A 1 16.076 -6.025 2.651 1.00 0.00 H new ATOM 0 HD2 PRO A 1 15.763 -4.543 5.245 1.00 0.00 H new ATOM 0 HD3 PRO A 1 16.862 -4.223 3.917 1.00 0.00 H new ATOM 21 N PRO A 2 11.650 -3.159 2.379 1.00 0.00 N ATOM 22 CA PRO A 2 10.295 -2.695 2.669 1.00 0.00 C ATOM 23 C PRO A 2 9.248 -3.782 2.440 1.00 0.00 C ATOM 24 O PRO A 2 9.452 -4.696 1.640 1.00 0.00 O ATOM 25 CB PRO A 2 10.115 -1.552 1.671 1.00 0.00 C ATOM 26 CG PRO A 2 10.966 -1.912 0.498 1.00 0.00 C ATOM 27 CD PRO A 2 12.060 -2.826 1.000 1.00 0.00 C ATOM 0 HA PRO A 2 10.166 -2.402 3.711 1.00 0.00 H new ATOM 0 HB2 PRO A 2 9.070 -1.445 1.380 1.00 0.00 H new ATOM 0 HB3 PRO A 2 10.424 -0.600 2.103 1.00 0.00 H new ATOM 0 HG2 PRO A 2 10.372 -2.409 -0.269 1.00 0.00 H new ATOM 0 HG3 PRO A 2 11.391 -1.018 0.043 1.00 0.00 H new ATOM 0 HD2 PRO A 2 12.146 -3.721 0.383 1.00 0.00 H new ATOM 0 HD3 PRO A 2 13.031 -2.332 0.982 1.00 0.00 H new ATOM 35 N LYS A 3 8.131 -3.689 3.145 1.00 0.00 N ATOM 36 CA LYS A 3 7.062 -4.665 2.999 1.00 0.00 C ATOM 37 C LYS A 3 5.887 -4.048 2.245 1.00 0.00 C ATOM 38 O LYS A 3 5.518 -2.897 2.487 1.00 0.00 O ATOM 39 CB LYS A 3 6.610 -5.190 4.370 1.00 0.00 C ATOM 40 CG LYS A 3 6.099 -4.111 5.314 1.00 0.00 C ATOM 41 CD LYS A 3 5.612 -4.691 6.638 1.00 0.00 C ATOM 42 CE LYS A 3 6.755 -5.006 7.598 1.00 0.00 C ATOM 43 NZ LYS A 3 7.607 -6.138 7.140 1.00 0.00 N ATOM 0 H LYS A 3 7.941 -2.950 3.822 1.00 0.00 H new ATOM 0 HA LYS A 3 7.441 -5.510 2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.823 -5.930 4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.446 -5.705 4.843 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.894 -3.391 5.505 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.285 -3.567 4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.930 -3.984 7.111 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.044 -5.601 6.444 1.00 0.00 H new ATOM 0 HE2 LYS A 3 7.375 -4.118 7.719 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.343 -5.243 8.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.946 -6.673 7.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.050 -6.765 6.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.421 -5.767 6.609 1.00 0.00 H new ATOM 57 N LYS A 4 5.307 -4.808 1.329 1.00 0.00 N ATOM 58 CA LYS A 4 4.229 -4.305 0.495 1.00 0.00 C ATOM 59 C LYS A 4 2.920 -4.293 1.284 1.00 0.00 C ATOM 60 O LYS A 4 2.640 -5.227 2.039 1.00 0.00 O ATOM 61 CB LYS A 4 4.100 -5.175 -0.764 1.00 0.00 C ATOM 62 CG LYS A 4 3.240 -4.565 -1.863 1.00 0.00 C ATOM 63 CD LYS A 4 3.185 -5.456 -3.096 1.00 0.00 C ATOM 64 CE LYS A 4 4.575 -5.770 -3.632 1.00 0.00 C ATOM 65 NZ LYS A 4 4.522 -6.581 -4.875 1.00 0.00 N ATOM 0 H LYS A 4 5.566 -5.777 1.145 1.00 0.00 H new ATOM 0 HA LYS A 4 4.453 -3.283 0.189 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.096 -5.366 -1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.679 -6.140 -0.483 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.230 -4.402 -1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 4 3.639 -3.588 -2.137 1.00 0.00 H new ATOM 0 HD2 LYS A 4 2.672 -6.386 -2.849 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.599 -4.965 -3.873 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.106 -4.839 -3.829 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.144 -6.307 -2.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.489 -6.772 -5.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.038 -7.481 -4.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 4.002 -6.058 -5.609 1.00 0.00 H new ATOM 79 N PRO A 5 2.108 -3.229 1.150 1.00 0.00 N ATOM 80 CA PRO A 5 0.835 -3.123 1.859 1.00 0.00 C ATOM 81 C PRO A 5 -0.218 -4.049 1.272 1.00 0.00 C ATOM 82 O PRO A 5 -0.105 -4.487 0.127 1.00 0.00 O ATOM 83 CB PRO A 5 0.417 -1.661 1.676 1.00 0.00 C ATOM 84 CG PRO A 5 1.541 -0.984 0.966 1.00 0.00 C ATOM 85 CD PRO A 5 2.350 -2.057 0.301 1.00 0.00 C ATOM 0 HA PRO A 5 0.935 -3.411 2.905 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.505 -1.591 1.099 1.00 0.00 H new ATOM 0 HB3 PRO A 5 0.226 -1.189 2.640 1.00 0.00 H new ATOM 0 HG2 PRO A 5 1.161 -0.276 0.230 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.154 -0.417 1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.026 -2.229 -0.725 1.00 0.00 H new ATOM 0 HD3 PRO A 5 3.408 -1.799 0.262 1.00 0.00 H new ATOM 93 N LYS A 6 -1.234 -4.344 2.060 1.00 0.00 N ATOM 94 CA LYS A 6 -2.298 -5.227 1.629 1.00 0.00 C ATOM 95 C LYS A 6 -3.294 -4.470 0.763 1.00 0.00 C ATOM 96 O LYS A 6 -3.865 -3.464 1.192 1.00 0.00 O ATOM 97 CB LYS A 6 -2.996 -5.826 2.848 1.00 0.00 C ATOM 98 CG LYS A 6 -2.067 -6.653 3.720 1.00 0.00 C ATOM 99 CD LYS A 6 -2.743 -7.074 5.012 1.00 0.00 C ATOM 100 CE LYS A 6 -1.794 -7.852 5.912 1.00 0.00 C ATOM 101 NZ LYS A 6 -1.306 -9.100 5.266 1.00 0.00 N ATOM 0 H LYS A 6 -1.344 -3.982 3.007 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.872 -6.035 1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.425 -5.021 3.445 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.824 -6.451 2.514 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.744 -7.538 3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -1.171 -6.076 3.948 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.104 -6.191 5.539 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.615 -7.688 4.784 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -0.943 -7.222 6.171 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -2.302 -8.101 6.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.818 -9.688 5.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -2.113 -9.627 4.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.646 -8.859 4.500 1.00 0.00 H new ATOM 115 N LYS A 7 -3.490 -4.951 -0.454 1.00 0.00 N ATOM 116 CA LYS A 7 -4.397 -4.314 -1.398 1.00 0.00 C ATOM 117 C LYS A 7 -5.827 -4.794 -1.172 1.00 0.00 C ATOM 118 O LYS A 7 -6.131 -5.967 -1.383 1.00 0.00 O ATOM 119 CB LYS A 7 -3.970 -4.616 -2.841 1.00 0.00 C ATOM 120 CG LYS A 7 -4.858 -3.960 -3.891 1.00 0.00 C ATOM 121 CD LYS A 7 -4.408 -4.301 -5.307 1.00 0.00 C ATOM 122 CE LYS A 7 -4.468 -5.800 -5.578 1.00 0.00 C ATOM 123 NZ LYS A 7 -5.839 -6.346 -5.391 1.00 0.00 N ATOM 0 H LYS A 7 -3.030 -5.787 -0.814 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.356 -3.237 -1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.943 -4.280 -2.985 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.977 -5.695 -2.995 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.889 -4.285 -3.749 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.843 -2.879 -3.755 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.039 -3.777 -6.024 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -3.389 -3.945 -5.460 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.135 -5.998 -6.597 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.778 -6.317 -4.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.879 -7.317 -5.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.076 -6.351 -4.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.522 -5.752 -5.903 1.00 0.00 H new ATOM 137 N PRO A 8 -6.717 -3.890 -0.733 1.00 0.00 N ATOM 138 CA PRO A 8 -8.130 -4.213 -0.504 1.00 0.00 C ATOM 139 C PRO A 8 -8.811 -4.730 -1.769 1.00 0.00 C ATOM 140 O PRO A 8 -8.517 -4.271 -2.877 1.00 0.00 O ATOM 141 CB PRO A 8 -8.743 -2.876 -0.073 1.00 0.00 C ATOM 142 CG PRO A 8 -7.604 -2.038 0.377 1.00 0.00 C ATOM 143 CD PRO A 8 -6.416 -2.481 -0.423 1.00 0.00 C ATOM 0 HA PRO A 8 -8.253 -5.005 0.235 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.274 -2.404 -0.900 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.466 -3.018 0.730 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.811 -0.980 0.214 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.424 -2.166 1.444 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.298 -1.887 -1.329 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -5.491 -2.384 0.145 1.00 0.00 H new ATOM 151 N GLY A 9 -9.714 -5.688 -1.603 1.00 0.00 N ATOM 152 CA GLY A 9 -10.385 -6.276 -2.742 1.00 0.00 C ATOM 153 C GLY A 9 -11.718 -5.611 -3.044 1.00 0.00 C ATOM 154 O GLY A 9 -11.893 -4.416 -2.796 1.00 0.00 O ATOM 0 H GLY A 9 -9.993 -6.067 -0.698 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -9.740 -6.201 -3.617 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.547 -7.338 -2.555 1.00 0.00 H new ATOM 158 N ASP A 10 -12.661 -6.390 -3.564 1.00 0.00 N ATOM 159 CA ASP A 10 -13.969 -5.863 -3.964 1.00 0.00 C ATOM 160 C ASP A 10 -14.801 -5.442 -2.757 1.00 0.00 C ATOM 161 O ASP A 10 -15.578 -4.488 -2.826 1.00 0.00 O ATOM 162 CB ASP A 10 -14.742 -6.905 -4.781 1.00 0.00 C ATOM 163 CG ASP A 10 -16.146 -6.450 -5.130 1.00 0.00 C ATOM 164 OD1 ASP A 10 -17.103 -6.890 -4.463 1.00 0.00 O ATOM 165 OD2 ASP A 10 -16.301 -5.646 -6.074 1.00 0.00 O ATOM 0 H ASP A 10 -12.547 -7.392 -3.720 1.00 0.00 H new ATOM 0 HA ASP A 10 -13.787 -4.981 -4.578 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -14.195 -7.120 -5.699 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -14.796 -7.836 -4.217 1.00 0.00 H new ATOM 170 N ASN A 11 -14.612 -6.137 -1.646 1.00 0.00 N ATOM 171 CA ASN A 11 -15.425 -5.921 -0.451 1.00 0.00 C ATOM 172 C ASN A 11 -14.869 -4.789 0.409 1.00 0.00 C ATOM 173 O ASN A 11 -15.112 -4.737 1.616 1.00 0.00 O ATOM 174 CB ASN A 11 -15.511 -7.210 0.371 1.00 0.00 C ATOM 175 CG ASN A 11 -16.236 -8.326 -0.365 1.00 0.00 C ATOM 176 OD1 ASN A 11 -15.622 -9.099 -1.098 1.00 0.00 O ATOM 177 ND2 ASN A 11 -17.547 -8.417 -0.183 1.00 0.00 N ATOM 0 H ASN A 11 -13.900 -6.860 -1.543 1.00 0.00 H new ATOM 0 HA ASN A 11 -16.425 -5.634 -0.778 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -14.504 -7.542 0.626 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -16.026 -7.004 1.309 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -18.079 -9.146 -0.659 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -18.023 -7.758 0.433 1.00 0.00 H new ATOM 184 N ALA A 12 -14.148 -3.869 -0.215 1.00 0.00 N ATOM 185 CA ALA A 12 -13.569 -2.742 0.496 1.00 0.00 C ATOM 186 C ALA A 12 -14.024 -1.430 -0.118 1.00 0.00 C ATOM 187 O ALA A 12 -14.342 -1.368 -1.308 1.00 0.00 O ATOM 188 CB ALA A 12 -12.055 -2.832 0.492 1.00 0.00 C ATOM 0 H ALA A 12 -13.950 -3.882 -1.216 1.00 0.00 H new ATOM 0 HA ALA A 12 -13.915 -2.775 1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -11.638 -1.980 1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -11.744 -3.756 0.980 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -11.693 -2.825 -0.536 1.00 0.00 H new ATOM 194 N THR A 13 -14.053 -0.385 0.693 1.00 0.00 N ATOM 195 CA THR A 13 -14.501 0.919 0.240 1.00 0.00 C ATOM 196 C THR A 13 -13.370 1.674 -0.454 1.00 0.00 C ATOM 197 O THR A 13 -12.193 1.429 -0.175 1.00 0.00 O ATOM 198 CB THR A 13 -15.015 1.757 1.423 1.00 0.00 C ATOM 199 OG1 THR A 13 -13.997 1.859 2.428 1.00 0.00 O ATOM 200 CG2 THR A 13 -16.267 1.139 2.020 1.00 0.00 C ATOM 0 H THR A 13 -13.770 -0.416 1.672 1.00 0.00 H new ATOM 0 HA THR A 13 -15.312 0.759 -0.471 1.00 0.00 H new ATOM 0 HB THR A 13 -15.263 2.753 1.056 1.00 0.00 H new ATOM 0 HG1 THR A 13 -14.330 2.395 3.178 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.612 1.749 2.855 1.00 0.00 H new ATOM 0 HG22 THR A 13 -17.047 1.090 1.260 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.043 0.133 2.374 1.00 0.00 H new ATOM 208 N PRO A 14 -13.701 2.598 -1.376 1.00 0.00 N ATOM 209 CA PRO A 14 -12.704 3.465 -2.021 1.00 0.00 C ATOM 210 C PRO A 14 -11.870 4.229 -0.996 1.00 0.00 C ATOM 211 O PRO A 14 -10.711 4.573 -1.243 1.00 0.00 O ATOM 212 CB PRO A 14 -13.558 4.428 -2.845 1.00 0.00 C ATOM 213 CG PRO A 14 -14.802 3.671 -3.126 1.00 0.00 C ATOM 214 CD PRO A 14 -15.062 2.854 -1.887 1.00 0.00 C ATOM 0 HA PRO A 14 -11.985 2.902 -2.616 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -13.767 5.345 -2.294 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.053 4.718 -3.766 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.633 4.345 -3.334 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -14.684 3.031 -4.001 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -15.670 3.397 -1.164 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -15.590 1.928 -2.116 1.00 0.00 H new ATOM 222 N GLU A 15 -12.474 4.476 0.160 1.00 0.00 N ATOM 223 CA GLU A 15 -11.795 5.130 1.266 1.00 0.00 C ATOM 224 C GLU A 15 -10.652 4.260 1.777 1.00 0.00 C ATOM 225 O GLU A 15 -9.590 4.763 2.140 1.00 0.00 O ATOM 226 CB GLU A 15 -12.788 5.417 2.394 1.00 0.00 C ATOM 227 CG GLU A 15 -12.197 6.176 3.567 1.00 0.00 C ATOM 228 CD GLU A 15 -13.202 6.373 4.680 1.00 0.00 C ATOM 229 OE1 GLU A 15 -13.072 5.712 5.729 1.00 0.00 O ATOM 230 OE2 GLU A 15 -14.144 7.170 4.502 1.00 0.00 O ATOM 0 H GLU A 15 -13.444 4.229 0.354 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.380 6.074 0.913 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.624 5.989 1.990 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.193 4.472 2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -11.333 5.634 3.951 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.838 7.147 3.226 1.00 0.00 H new ATOM 237 N LYS A 16 -10.858 2.949 1.782 1.00 0.00 N ATOM 238 CA LYS A 16 -9.836 2.033 2.249 1.00 0.00 C ATOM 239 C LYS A 16 -8.753 1.880 1.188 1.00 0.00 C ATOM 240 O LYS A 16 -7.594 1.609 1.500 1.00 0.00 O ATOM 241 CB LYS A 16 -10.441 0.672 2.605 1.00 0.00 C ATOM 242 CG LYS A 16 -9.472 -0.253 3.334 1.00 0.00 C ATOM 243 CD LYS A 16 -8.977 0.376 4.632 1.00 0.00 C ATOM 244 CE LYS A 16 -8.058 -0.555 5.413 1.00 0.00 C ATOM 245 NZ LYS A 16 -6.845 -0.937 4.639 1.00 0.00 N ATOM 0 H LYS A 16 -11.720 2.502 1.469 1.00 0.00 H new ATOM 0 HA LYS A 16 -9.388 2.444 3.154 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -11.322 0.827 3.228 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.779 0.183 1.691 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.964 -1.201 3.551 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.623 -0.476 2.688 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.446 1.301 4.406 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.832 0.643 5.253 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.755 -0.068 6.340 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.607 -1.455 5.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.197 -1.472 5.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.122 -1.527 3.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.368 -0.079 4.295 1.00 0.00 H new ATOM 259 N LEU A 17 -9.138 2.062 -0.069 1.00 0.00 N ATOM 260 CA LEU A 17 -8.169 2.089 -1.156 1.00 0.00 C ATOM 261 C LEU A 17 -7.261 3.301 -1.019 1.00 0.00 C ATOM 262 O LEU A 17 -6.072 3.228 -1.316 1.00 0.00 O ATOM 263 CB LEU A 17 -8.854 2.098 -2.528 1.00 0.00 C ATOM 264 CG LEU A 17 -9.190 0.722 -3.122 1.00 0.00 C ATOM 265 CD1 LEU A 17 -7.935 -0.127 -3.262 1.00 0.00 C ATOM 266 CD2 LEU A 17 -10.232 -0.001 -2.282 1.00 0.00 C ATOM 0 H LEU A 17 -10.107 2.192 -0.359 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.572 1.180 -1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -9.777 2.672 -2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -8.210 2.627 -3.230 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.610 0.883 -4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.197 -1.097 -3.685 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.227 0.376 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.481 -0.269 -2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -10.449 -0.972 -2.728 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -9.850 -0.143 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -11.145 0.593 -2.244 1.00 0.00 H new ATOM 278 N ALA A 18 -7.825 4.408 -0.549 1.00 0.00 N ATOM 279 CA ALA A 18 -7.050 5.614 -0.299 1.00 0.00 C ATOM 280 C ALA A 18 -5.995 5.351 0.765 1.00 0.00 C ATOM 281 O ALA A 18 -4.878 5.865 0.695 1.00 0.00 O ATOM 282 CB ALA A 18 -7.966 6.745 0.126 1.00 0.00 C ATOM 0 H ALA A 18 -8.818 4.494 -0.334 1.00 0.00 H new ATOM 0 HA ALA A 18 -6.545 5.905 -1.220 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.375 7.642 0.310 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.690 6.943 -0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.492 6.464 1.038 1.00 0.00 H new ATOM 288 N ALA A 19 -6.364 4.544 1.752 1.00 0.00 N ATOM 289 CA ALA A 19 -5.429 4.104 2.772 1.00 0.00 C ATOM 290 C ALA A 19 -4.319 3.271 2.147 1.00 0.00 C ATOM 291 O ALA A 19 -3.139 3.477 2.428 1.00 0.00 O ATOM 292 CB ALA A 19 -6.147 3.301 3.840 1.00 0.00 C ATOM 0 H ALA A 19 -7.310 4.181 1.865 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.987 4.985 3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.431 2.979 4.596 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.914 3.920 4.306 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.613 2.426 3.386 1.00 0.00 H new ATOM 298 N TYR A 20 -4.711 2.346 1.276 1.00 0.00 N ATOM 299 CA TYR A 20 -3.758 1.492 0.583 1.00 0.00 C ATOM 300 C TYR A 20 -2.805 2.317 -0.263 1.00 0.00 C ATOM 301 O TYR A 20 -1.605 2.087 -0.245 1.00 0.00 O ATOM 302 CB TYR A 20 -4.485 0.480 -0.304 1.00 0.00 C ATOM 303 CG TYR A 20 -3.582 -0.222 -1.296 1.00 0.00 C ATOM 304 CD1 TYR A 20 -3.700 0.026 -2.657 1.00 0.00 C ATOM 305 CD2 TYR A 20 -2.614 -1.123 -0.875 1.00 0.00 C ATOM 306 CE1 TYR A 20 -2.880 -0.605 -3.573 1.00 0.00 C ATOM 307 CE2 TYR A 20 -1.787 -1.759 -1.786 1.00 0.00 C ATOM 308 CZ TYR A 20 -1.927 -1.496 -3.133 1.00 0.00 C ATOM 309 OH TYR A 20 -1.109 -2.124 -4.044 1.00 0.00 O ATOM 0 H TYR A 20 -5.686 2.170 1.034 1.00 0.00 H new ATOM 0 HA TYR A 20 -3.184 0.956 1.339 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -4.963 -0.267 0.330 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.279 0.992 -0.848 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.446 0.725 -3.006 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.504 -1.331 0.179 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.986 -0.400 -4.628 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.037 -2.457 -1.444 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.491 -2.720 -3.572 1.00 0.00 H new ATOM 319 N GLU A 21 -3.345 3.273 -1.003 1.00 0.00 N ATOM 320 CA GLU A 21 -2.529 4.119 -1.860 1.00 0.00 C ATOM 321 C GLU A 21 -1.543 4.940 -1.032 1.00 0.00 C ATOM 322 O GLU A 21 -0.434 5.229 -1.483 1.00 0.00 O ATOM 323 CB GLU A 21 -3.406 5.037 -2.716 1.00 0.00 C ATOM 324 CG GLU A 21 -4.286 4.291 -3.713 1.00 0.00 C ATOM 325 CD GLU A 21 -5.059 5.221 -4.619 1.00 0.00 C ATOM 326 OE1 GLU A 21 -6.182 5.617 -4.256 1.00 0.00 O ATOM 327 OE2 GLU A 21 -4.548 5.561 -5.709 1.00 0.00 O ATOM 0 H GLU A 21 -4.343 3.482 -1.027 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.960 3.471 -2.527 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -4.041 5.633 -2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.766 5.733 -3.259 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.663 3.634 -4.320 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.985 3.656 -3.170 1.00 0.00 H new ATOM 334 N LYS A 22 -1.937 5.293 0.187 1.00 0.00 N ATOM 335 CA LYS A 22 -1.053 6.011 1.093 1.00 0.00 C ATOM 336 C LYS A 22 0.064 5.087 1.572 1.00 0.00 C ATOM 337 O LYS A 22 1.234 5.472 1.606 1.00 0.00 O ATOM 338 CB LYS A 22 -1.838 6.570 2.284 1.00 0.00 C ATOM 339 CG LYS A 22 -0.980 7.312 3.302 1.00 0.00 C ATOM 340 CD LYS A 22 -0.322 8.554 2.706 1.00 0.00 C ATOM 341 CE LYS A 22 -1.350 9.585 2.255 1.00 0.00 C ATOM 342 NZ LYS A 22 -0.706 10.821 1.735 1.00 0.00 N ATOM 0 H LYS A 22 -2.862 5.093 0.568 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.609 6.850 0.557 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.608 7.246 1.913 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.350 5.749 2.786 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.597 7.603 4.152 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.209 6.642 3.682 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.341 9.003 3.445 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.297 8.264 1.857 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.982 9.152 1.480 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -2.000 9.839 3.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.439 11.496 1.439 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.122 11.249 2.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.105 10.583 0.920 1.00 0.00 H new ATOM 356 N GLU A 23 -0.305 3.859 1.921 1.00 0.00 N ATOM 357 CA GLU A 23 0.670 2.858 2.332 1.00 0.00 C ATOM 358 C GLU A 23 1.568 2.498 1.154 1.00 0.00 C ATOM 359 O GLU A 23 2.772 2.285 1.310 1.00 0.00 O ATOM 360 CB GLU A 23 -0.026 1.594 2.848 1.00 0.00 C ATOM 361 CG GLU A 23 -0.949 1.817 4.033 1.00 0.00 C ATOM 362 CD GLU A 23 -1.510 0.516 4.571 1.00 0.00 C ATOM 363 OE1 GLU A 23 -2.496 -0.001 4.000 1.00 0.00 O ATOM 364 OE2 GLU A 23 -0.966 0.001 5.570 1.00 0.00 O ATOM 0 H GLU A 23 -1.272 3.534 1.927 1.00 0.00 H new ATOM 0 HA GLU A 23 1.270 3.278 3.139 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.602 1.155 2.034 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.735 0.866 3.129 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.404 2.331 4.825 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.770 2.470 3.735 1.00 0.00 H new ATOM 371 N LEU A 24 0.961 2.439 -0.023 1.00 0.00 N ATOM 372 CA LEU A 24 1.662 2.105 -1.253 1.00 0.00 C ATOM 373 C LEU A 24 2.692 3.172 -1.577 1.00 0.00 C ATOM 374 O LEU A 24 3.797 2.865 -2.010 1.00 0.00 O ATOM 375 CB LEU A 24 0.670 1.970 -2.412 1.00 0.00 C ATOM 376 CG LEU A 24 1.261 1.425 -3.713 1.00 0.00 C ATOM 377 CD1 LEU A 24 1.771 0.006 -3.516 1.00 0.00 C ATOM 378 CD2 LEU A 24 0.226 1.473 -4.827 1.00 0.00 C ATOM 0 H LEU A 24 -0.034 2.622 -0.151 1.00 0.00 H new ATOM 0 HA LEU A 24 2.171 1.152 -1.112 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.144 1.316 -2.099 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.233 2.949 -2.612 1.00 0.00 H new ATOM 0 HG LEU A 24 2.104 2.054 -3.999 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.188 -0.364 -4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.544 0.001 -2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.947 -0.637 -3.206 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.662 1.082 -5.746 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.637 0.868 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -0.090 2.504 -4.986 1.00 0.00 H new ATOM 390 N ALA A 25 2.319 4.423 -1.351 1.00 0.00 N ATOM 391 CA ALA A 25 3.212 5.543 -1.587 1.00 0.00 C ATOM 392 C ALA A 25 4.439 5.452 -0.693 1.00 0.00 C ATOM 393 O ALA A 25 5.560 5.719 -1.129 1.00 0.00 O ATOM 394 CB ALA A 25 2.478 6.848 -1.358 1.00 0.00 C ATOM 0 H ALA A 25 1.398 4.687 -1.002 1.00 0.00 H new ATOM 0 HA ALA A 25 3.549 5.508 -2.623 1.00 0.00 H new ATOM 0 HB1 ALA A 25 3.156 7.683 -1.537 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.632 6.914 -2.042 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.118 6.887 -0.330 1.00 0.00 H new ATOM 400 N ALA A 26 4.221 5.062 0.556 1.00 0.00 N ATOM 401 CA ALA A 26 5.313 4.859 1.491 1.00 0.00 C ATOM 402 C ALA A 26 6.181 3.697 1.034 1.00 0.00 C ATOM 403 O ALA A 26 7.410 3.778 1.043 1.00 0.00 O ATOM 404 CB ALA A 26 4.774 4.608 2.889 1.00 0.00 C ATOM 0 H ALA A 26 3.295 4.880 0.943 1.00 0.00 H new ATOM 0 HA ALA A 26 5.925 5.760 1.519 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.605 4.458 3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.186 5.467 3.212 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.144 3.719 2.882 1.00 0.00 H new ATOM 410 N TYR A 27 5.522 2.634 0.595 1.00 0.00 N ATOM 411 CA TYR A 27 6.205 1.446 0.113 1.00 0.00 C ATOM 412 C TYR A 27 7.039 1.758 -1.121 1.00 0.00 C ATOM 413 O TYR A 27 8.204 1.381 -1.193 1.00 0.00 O ATOM 414 CB TYR A 27 5.192 0.345 -0.201 1.00 0.00 C ATOM 415 CG TYR A 27 5.768 -0.805 -0.994 1.00 0.00 C ATOM 416 CD1 TYR A 27 6.546 -1.773 -0.383 1.00 0.00 C ATOM 417 CD2 TYR A 27 5.535 -0.912 -2.358 1.00 0.00 C ATOM 418 CE1 TYR A 27 7.077 -2.824 -1.107 1.00 0.00 C ATOM 419 CE2 TYR A 27 6.059 -1.958 -3.092 1.00 0.00 C ATOM 420 CZ TYR A 27 6.830 -2.911 -2.462 1.00 0.00 C ATOM 421 OH TYR A 27 7.353 -3.959 -3.185 1.00 0.00 O ATOM 0 H TYR A 27 4.504 2.572 0.564 1.00 0.00 H new ATOM 0 HA TYR A 27 6.876 1.099 0.899 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.785 -0.039 0.734 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.360 0.777 -0.757 1.00 0.00 H new ATOM 0 HD1 TYR A 27 6.741 -1.706 0.677 1.00 0.00 H new ATOM 0 HD2 TYR A 27 4.934 -0.164 -2.854 1.00 0.00 H new ATOM 0 HE1 TYR A 27 7.681 -3.572 -0.616 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.866 -2.029 -4.152 1.00 0.00 H new ATOM 0 HH TYR A 27 7.086 -3.874 -4.124 1.00 0.00 H new ATOM 431 N GLU A 28 6.441 2.449 -2.086 1.00 0.00 N ATOM 432 CA GLU A 28 7.139 2.794 -3.318 1.00 0.00 C ATOM 433 C GLU A 28 8.339 3.683 -3.025 1.00 0.00 C ATOM 434 O GLU A 28 9.363 3.601 -3.706 1.00 0.00 O ATOM 435 CB GLU A 28 6.212 3.500 -4.314 1.00 0.00 C ATOM 436 CG GLU A 28 5.119 2.613 -4.894 1.00 0.00 C ATOM 437 CD GLU A 28 4.331 3.317 -5.980 1.00 0.00 C ATOM 438 OE1 GLU A 28 4.490 2.957 -7.165 1.00 0.00 O ATOM 439 OE2 GLU A 28 3.563 4.248 -5.659 1.00 0.00 O ATOM 0 H GLU A 28 5.477 2.780 -2.039 1.00 0.00 H new ATOM 0 HA GLU A 28 7.480 1.861 -3.766 1.00 0.00 H new ATOM 0 HB2 GLU A 28 5.747 4.352 -3.818 1.00 0.00 H new ATOM 0 HB3 GLU A 28 6.813 3.897 -5.132 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.566 1.706 -5.301 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.442 2.305 -4.097 1.00 0.00 H new ATOM 446 N LYS A 29 8.211 4.531 -2.010 1.00 0.00 N ATOM 447 CA LYS A 29 9.298 5.414 -1.624 1.00 0.00 C ATOM 448 C LYS A 29 10.457 4.605 -1.060 1.00 0.00 C ATOM 449 O LYS A 29 11.607 4.785 -1.463 1.00 0.00 O ATOM 450 CB LYS A 29 8.828 6.455 -0.608 1.00 0.00 C ATOM 451 CG LYS A 29 9.873 7.525 -0.333 1.00 0.00 C ATOM 452 CD LYS A 29 9.328 8.640 0.547 1.00 0.00 C ATOM 453 CE LYS A 29 10.349 9.752 0.711 1.00 0.00 C ATOM 454 NZ LYS A 29 9.808 10.894 1.490 1.00 0.00 N ATOM 0 H LYS A 29 7.368 4.623 -1.444 1.00 0.00 H new ATOM 0 HA LYS A 29 9.638 5.944 -2.514 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.918 6.929 -0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.573 5.955 0.326 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.738 7.071 0.151 1.00 0.00 H new ATOM 0 HG3 LYS A 29 10.219 7.945 -1.277 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.415 9.042 0.108 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.061 8.239 1.525 1.00 0.00 H new ATOM 0 HE2 LYS A 29 11.235 9.360 1.211 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.666 10.101 -0.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.537 11.630 1.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.978 11.286 1.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.530 10.567 2.437 1.00 0.00 H new ATOM 468 N GLU A 30 10.146 3.701 -0.138 1.00 0.00 N ATOM 469 CA GLU A 30 11.157 2.822 0.436 1.00 0.00 C ATOM 470 C GLU A 30 11.719 1.900 -0.642 1.00 0.00 C ATOM 471 O GLU A 30 12.898 1.553 -0.630 1.00 0.00 O ATOM 472 CB GLU A 30 10.568 1.990 1.577 1.00 0.00 C ATOM 473 CG GLU A 30 9.986 2.815 2.711 1.00 0.00 C ATOM 474 CD GLU A 30 9.401 1.952 3.809 1.00 0.00 C ATOM 475 OE1 GLU A 30 8.234 1.525 3.687 1.00 0.00 O ATOM 476 OE2 GLU A 30 10.109 1.694 4.806 1.00 0.00 O ATOM 0 H GLU A 30 9.204 3.558 0.227 1.00 0.00 H new ATOM 0 HA GLU A 30 11.961 3.439 0.837 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.788 1.343 1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.346 1.340 1.977 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.764 3.453 3.129 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.211 3.473 2.318 1.00 0.00 H new ATOM 483 N LEU A 31 10.858 1.518 -1.574 1.00 0.00 N ATOM 484 CA LEU A 31 11.243 0.665 -2.692 1.00 0.00 C ATOM 485 C LEU A 31 12.252 1.376 -3.584 1.00 0.00 C ATOM 486 O LEU A 31 13.191 0.763 -4.091 1.00 0.00 O ATOM 487 CB LEU A 31 10.010 0.276 -3.513 1.00 0.00 C ATOM 488 CG LEU A 31 10.240 -0.804 -4.561 1.00 0.00 C ATOM 489 CD1 LEU A 31 10.565 -2.128 -3.891 1.00 0.00 C ATOM 490 CD2 LEU A 31 9.019 -0.931 -5.455 1.00 0.00 C ATOM 0 H LEU A 31 9.875 1.789 -1.578 1.00 0.00 H new ATOM 0 HA LEU A 31 11.703 -0.238 -2.290 1.00 0.00 H new ATOM 0 HB2 LEU A 31 9.232 -0.064 -2.830 1.00 0.00 H new ATOM 0 HB3 LEU A 31 9.630 1.168 -4.011 1.00 0.00 H new ATOM 0 HG LEU A 31 11.091 -0.522 -5.182 1.00 0.00 H new ATOM 0 HD11 LEU A 31 10.727 -2.891 -4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 31 11.467 -2.019 -3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.735 -2.425 -3.251 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.194 -1.706 -6.201 1.00 0.00 H new ATOM 0 HD22 LEU A 31 8.152 -1.198 -4.851 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.834 0.019 -5.955 1.00 0.00 H new ATOM 502 N ALA A 32 12.052 2.674 -3.770 1.00 0.00 N ATOM 503 CA ALA A 32 12.965 3.489 -4.557 1.00 0.00 C ATOM 504 C ALA A 32 14.341 3.555 -3.904 1.00 0.00 C ATOM 505 O ALA A 32 15.355 3.734 -4.577 1.00 0.00 O ATOM 506 CB ALA A 32 12.396 4.882 -4.735 1.00 0.00 C ATOM 0 H ALA A 32 11.260 3.187 -3.383 1.00 0.00 H new ATOM 0 HA ALA A 32 13.081 3.026 -5.537 1.00 0.00 H new ATOM 0 HB1 ALA A 32 13.087 5.484 -5.325 1.00 0.00 H new ATOM 0 HB2 ALA A 32 11.437 4.820 -5.250 1.00 0.00 H new ATOM 0 HB3 ALA A 32 12.254 5.345 -3.758 1.00 0.00 H new ATOM 512 N ALA A 33 14.366 3.403 -2.589 1.00 0.00 N ATOM 513 CA ALA A 33 15.607 3.421 -1.837 1.00 0.00 C ATOM 514 C ALA A 33 16.219 2.025 -1.758 1.00 0.00 C ATOM 515 O ALA A 33 17.317 1.844 -1.231 1.00 0.00 O ATOM 516 CB ALA A 33 15.357 3.975 -0.449 1.00 0.00 C ATOM 0 H ALA A 33 13.532 3.265 -2.018 1.00 0.00 H new ATOM 0 HA ALA A 33 16.318 4.066 -2.353 1.00 0.00 H new ATOM 0 HB1 ALA A 33 16.292 3.987 0.112 1.00 0.00 H new ATOM 0 HB2 ALA A 33 14.968 4.990 -0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 33 14.631 3.347 0.068 1.00 0.00 H new ATOM 522 N TYR A 34 15.495 1.041 -2.273 1.00 0.00 N ATOM 523 CA TYR A 34 15.968 -0.333 -2.286 1.00 0.00 C ATOM 524 C TYR A 34 16.502 -0.698 -3.670 1.00 0.00 C ATOM 525 O TYR A 34 17.408 -1.522 -3.807 1.00 0.00 O ATOM 526 CB TYR A 34 14.835 -1.285 -1.886 1.00 0.00 C ATOM 527 CG TYR A 34 15.279 -2.721 -1.735 1.00 0.00 C ATOM 528 CD1 TYR A 34 16.123 -3.094 -0.702 1.00 0.00 C ATOM 529 CD2 TYR A 34 14.855 -3.701 -2.624 1.00 0.00 C ATOM 530 CE1 TYR A 34 16.539 -4.402 -0.557 1.00 0.00 C ATOM 531 CE2 TYR A 34 15.263 -5.013 -2.484 1.00 0.00 C ATOM 532 CZ TYR A 34 16.106 -5.358 -1.451 1.00 0.00 C ATOM 533 OH TYR A 34 16.525 -6.663 -1.316 1.00 0.00 O ATOM 0 H TYR A 34 14.573 1.172 -2.689 1.00 0.00 H new ATOM 0 HA TYR A 34 16.779 -0.430 -1.564 1.00 0.00 H new ATOM 0 HB2 TYR A 34 14.402 -0.946 -0.945 1.00 0.00 H new ATOM 0 HB3 TYR A 34 14.046 -1.234 -2.637 1.00 0.00 H new ATOM 0 HD1 TYR A 34 16.461 -2.348 0.002 1.00 0.00 H new ATOM 0 HD2 TYR A 34 14.196 -3.433 -3.437 1.00 0.00 H new ATOM 0 HE1 TYR A 34 17.200 -4.675 0.252 1.00 0.00 H new ATOM 0 HE2 TYR A 34 14.923 -5.765 -3.181 1.00 0.00 H new ATOM 0 HH TYR A 34 16.128 -7.209 -2.026 1.00 0.00 H new HETATM 543 N NH2 A 35 15.939 -0.078 -4.696 1.00 0.00 N TER 546 NH2 A 35