USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 285 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 MET CE :methyl 163:sc= -0.0887 (180deg=-0.498) USER MOD Single : A 1 MET N :NH3+ 138:sc= 0.042 (180deg=-0.0605) USER MOD Single : A 2 THR OG1 : rot -170:sc= -0.0136 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.43 K(o=-0.43,f=-1.7) USER MOD Single : A 25 SER OG : rot -54:sc= 1.32 USER MOD Single : A 26 MET CE :methyl 170:sc= -2.89 (180deg=-3.08!) USER MOD Single : A 29 ASN :FLIP amide:sc= -0.846 F(o=-2!,f=-0.85) USER MOD Single : A 32 ASN :FLIP amide:sc= -0.0986 F(o=-2.4!,f=-0.099) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -25.779 0.197 -4.971 1.00 0.00 N ATOM 2 CA MET A 1 -25.596 -0.837 -3.921 1.00 0.00 C ATOM 3 C MET A 1 -25.458 -0.200 -2.544 1.00 0.00 C ATOM 4 O MET A 1 -25.695 0.996 -2.375 1.00 0.00 O ATOM 5 CB MET A 1 -24.361 -1.688 -4.227 1.00 0.00 C ATOM 6 CG MET A 1 -23.071 -0.886 -4.300 1.00 0.00 C ATOM 7 SD MET A 1 -21.617 -1.929 -4.522 1.00 0.00 S ATOM 8 CE MET A 1 -21.977 -2.679 -6.108 1.00 0.00 C ATOM 0 H1 MET A 1 -25.208 -0.050 -5.804 1.00 0.00 H new ATOM 0 H2 MET A 1 -26.782 0.244 -5.241 1.00 0.00 H new ATOM 0 H3 MET A 1 -25.475 1.122 -4.604 1.00 0.00 H new ATOM 0 HA MET A 1 -26.480 -1.475 -3.917 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.259 -2.455 -3.459 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.512 -2.204 -5.175 1.00 0.00 H new ATOM 0 HG2 MET A 1 -23.135 -0.177 -5.126 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.959 -0.302 -3.387 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.064 -3.105 -6.525 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.719 -3.467 -5.978 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.368 -1.922 -6.788 1.00 0.00 H new ATOM 20 N THR A 2 -25.074 -1.010 -1.565 1.00 0.00 N ATOM 21 CA THR A 2 -24.909 -0.536 -0.198 1.00 0.00 C ATOM 22 C THR A 2 -23.554 0.128 0.003 1.00 0.00 C ATOM 23 O THR A 2 -22.545 -0.318 -0.545 1.00 0.00 O ATOM 24 CB THR A 2 -25.052 -1.688 0.811 1.00 0.00 C ATOM 25 OG1 THR A 2 -25.361 -2.906 0.125 1.00 0.00 O ATOM 26 CG2 THR A 2 -26.144 -1.386 1.822 1.00 0.00 C ATOM 0 H THR A 2 -24.871 -2.001 -1.694 1.00 0.00 H new ATOM 0 HA THR A 2 -25.696 0.198 -0.025 1.00 0.00 H new ATOM 0 HB THR A 2 -24.105 -1.797 1.339 1.00 0.00 H new ATOM 0 HG1 THR A 2 -25.605 -3.596 0.777 1.00 0.00 H new ATOM 0 HG21 THR A 2 -26.228 -2.214 2.526 1.00 0.00 H new ATOM 0 HG22 THR A 2 -25.896 -0.473 2.364 1.00 0.00 H new ATOM 0 HG23 THR A 2 -27.093 -1.253 1.303 1.00 0.00 H new ATOM 34 N PHE A 3 -23.539 1.199 0.791 1.00 0.00 N ATOM 35 CA PHE A 3 -22.307 1.920 1.073 1.00 0.00 C ATOM 36 C PHE A 3 -21.332 1.028 1.830 1.00 0.00 C ATOM 37 O PHE A 3 -20.120 1.105 1.630 1.00 0.00 O ATOM 38 CB PHE A 3 -22.602 3.182 1.882 1.00 0.00 C ATOM 39 CG PHE A 3 -21.561 4.246 1.714 1.00 0.00 C ATOM 40 CD1 PHE A 3 -20.758 4.628 2.776 1.00 0.00 C ATOM 41 CD2 PHE A 3 -21.382 4.860 0.487 1.00 0.00 C ATOM 42 CE1 PHE A 3 -19.794 5.605 2.616 1.00 0.00 C ATOM 43 CE2 PHE A 3 -20.421 5.837 0.319 1.00 0.00 C ATOM 44 CZ PHE A 3 -19.625 6.211 1.385 1.00 0.00 C ATOM 0 H PHE A 3 -24.367 1.585 1.244 1.00 0.00 H new ATOM 0 HA PHE A 3 -21.852 2.210 0.126 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -23.571 3.580 1.582 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -22.678 2.920 2.937 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -20.887 4.157 3.739 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -22.001 4.572 -0.349 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -19.174 5.895 3.451 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -20.292 6.308 -0.644 1.00 0.00 H new ATOM 0 HZ PHE A 3 -18.873 6.975 1.257 1.00 0.00 H new ATOM 54 N ALA A 4 -21.872 0.184 2.704 1.00 0.00 N ATOM 55 CA ALA A 4 -21.054 -0.734 3.485 1.00 0.00 C ATOM 56 C ALA A 4 -20.458 -1.810 2.588 1.00 0.00 C ATOM 57 O ALA A 4 -19.287 -2.167 2.721 1.00 0.00 O ATOM 58 CB ALA A 4 -21.876 -1.363 4.599 1.00 0.00 C ATOM 0 H ALA A 4 -22.873 0.118 2.888 1.00 0.00 H new ATOM 0 HA ALA A 4 -20.237 -0.171 3.936 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -21.249 -2.046 5.172 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -22.257 -0.581 5.256 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -22.712 -1.913 4.168 1.00 0.00 H new ATOM 64 N GLU A 5 -21.275 -2.325 1.672 1.00 0.00 N ATOM 65 CA GLU A 5 -20.827 -3.353 0.741 1.00 0.00 C ATOM 66 C GLU A 5 -19.736 -2.805 -0.168 1.00 0.00 C ATOM 67 O GLU A 5 -18.892 -3.551 -0.667 1.00 0.00 O ATOM 68 CB GLU A 5 -22.000 -3.862 -0.101 1.00 0.00 C ATOM 69 CG GLU A 5 -23.000 -4.691 0.687 1.00 0.00 C ATOM 70 CD GLU A 5 -22.374 -5.926 1.304 1.00 0.00 C ATOM 71 OE1 GLU A 5 -22.001 -5.871 2.495 1.00 0.00 O ATOM 72 OE2 GLU A 5 -22.256 -6.948 0.596 1.00 0.00 O ATOM 0 H GLU A 5 -22.249 -2.046 1.556 1.00 0.00 H new ATOM 0 HA GLU A 5 -20.422 -4.185 1.318 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -22.516 -3.010 -0.543 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -21.612 -4.462 -0.924 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -23.435 -4.076 1.475 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -23.816 -4.991 0.030 1.00 0.00 H new ATOM 79 N LEU A 6 -19.763 -1.492 -0.380 1.00 0.00 N ATOM 80 CA LEU A 6 -18.776 -0.831 -1.222 1.00 0.00 C ATOM 81 C LEU A 6 -17.648 -0.264 -0.368 1.00 0.00 C ATOM 82 O LEU A 6 -16.593 0.103 -0.879 1.00 0.00 O ATOM 83 CB LEU A 6 -19.436 0.293 -2.027 1.00 0.00 C ATOM 84 CG LEU A 6 -18.625 0.810 -3.218 1.00 0.00 C ATOM 85 CD1 LEU A 6 -19.541 1.112 -4.395 1.00 0.00 C ATOM 86 CD2 LEU A 6 -17.838 2.054 -2.830 1.00 0.00 C ATOM 0 H LEU A 6 -20.460 -0.865 0.022 1.00 0.00 H new ATOM 0 HA LEU A 6 -18.361 -1.565 -1.913 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -20.400 -0.062 -2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -19.637 1.128 -1.356 1.00 0.00 H new ATOM 0 HG LEU A 6 -17.921 0.033 -3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -18.948 1.478 -5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -20.065 0.203 -4.691 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -20.268 1.871 -4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -17.268 2.407 -3.689 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -18.527 2.834 -2.507 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -17.155 1.813 -2.016 1.00 0.00 H new ATOM 98 N GLY A 7 -17.877 -0.214 0.941 1.00 0.00 N ATOM 99 CA GLY A 7 -16.877 0.314 1.850 1.00 0.00 C ATOM 100 C GLY A 7 -15.641 -0.559 1.934 1.00 0.00 C ATOM 101 O GLY A 7 -14.520 -0.059 1.881 1.00 0.00 O ATOM 0 H GLY A 7 -18.738 -0.530 1.388 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.589 1.314 1.525 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.313 0.415 2.844 1.00 0.00 H new ATOM 105 N MET A 8 -15.845 -1.865 2.065 1.00 0.00 N ATOM 106 CA MET A 8 -14.734 -2.805 2.162 1.00 0.00 C ATOM 107 C MET A 8 -13.986 -2.913 0.837 1.00 0.00 C ATOM 108 O MET A 8 -12.757 -2.897 0.808 1.00 0.00 O ATOM 109 CB MET A 8 -15.242 -4.184 2.587 1.00 0.00 C ATOM 110 CG MET A 8 -15.873 -4.203 3.971 1.00 0.00 C ATOM 111 SD MET A 8 -14.679 -3.885 5.283 1.00 0.00 S ATOM 112 CE MET A 8 -15.691 -4.160 6.734 1.00 0.00 C ATOM 0 H MET A 8 -16.768 -2.297 2.106 1.00 0.00 H new ATOM 0 HA MET A 8 -14.042 -2.429 2.916 1.00 0.00 H new ATOM 0 HB2 MET A 8 -15.974 -4.532 1.859 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.412 -4.890 2.566 1.00 0.00 H new ATOM 0 HG2 MET A 8 -16.664 -3.454 4.016 1.00 0.00 H new ATOM 0 HG3 MET A 8 -16.342 -5.173 4.139 1.00 0.00 H new ATOM 0 HE1 MET A 8 -15.092 -4.001 7.631 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.530 -3.464 6.730 1.00 0.00 H new ATOM 0 HE3 MET A 8 -16.068 -5.183 6.726 1.00 0.00 H new ATOM 122 N ALA A 9 -14.731 -3.025 -0.257 1.00 0.00 N ATOM 123 CA ALA A 9 -14.129 -3.136 -1.581 1.00 0.00 C ATOM 124 C ALA A 9 -13.342 -1.878 -1.934 1.00 0.00 C ATOM 125 O ALA A 9 -12.233 -1.956 -2.462 1.00 0.00 O ATOM 126 CB ALA A 9 -15.201 -3.401 -2.628 1.00 0.00 C ATOM 0 H ALA A 9 -15.751 -3.041 -0.254 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.434 -3.976 -1.567 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -14.737 -3.481 -3.611 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -15.717 -4.332 -2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.918 -2.580 -2.631 1.00 0.00 H new ATOM 132 N PHE A 10 -13.924 -0.721 -1.637 1.00 0.00 N ATOM 133 CA PHE A 10 -13.283 0.558 -1.920 1.00 0.00 C ATOM 134 C PHE A 10 -12.069 0.781 -1.021 1.00 0.00 C ATOM 135 O PHE A 10 -11.018 1.218 -1.488 1.00 0.00 O ATOM 136 CB PHE A 10 -14.295 1.697 -1.751 1.00 0.00 C ATOM 137 CG PHE A 10 -13.681 3.067 -1.679 1.00 0.00 C ATOM 138 CD1 PHE A 10 -12.790 3.503 -2.649 1.00 0.00 C ATOM 139 CD2 PHE A 10 -14.002 3.922 -0.638 1.00 0.00 C ATOM 140 CE1 PHE A 10 -12.231 4.765 -2.579 1.00 0.00 C ATOM 141 CE2 PHE A 10 -13.447 5.184 -0.562 1.00 0.00 C ATOM 142 CZ PHE A 10 -12.560 5.606 -1.533 1.00 0.00 C ATOM 0 H PHE A 10 -14.842 -0.643 -1.199 1.00 0.00 H new ATOM 0 HA PHE A 10 -12.931 0.544 -2.952 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -14.997 1.670 -2.585 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -14.872 1.522 -0.843 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -12.530 2.849 -3.468 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -14.695 3.598 0.124 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -11.539 5.093 -3.340 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -13.706 5.840 0.256 1.00 0.00 H new ATOM 0 HZ PHE A 10 -12.124 6.592 -1.475 1.00 0.00 H new ATOM 152 N TRP A 11 -12.217 0.483 0.267 1.00 0.00 N ATOM 153 CA TRP A 11 -11.121 0.656 1.217 1.00 0.00 C ATOM 154 C TRP A 11 -9.956 -0.266 0.881 1.00 0.00 C ATOM 155 O TRP A 11 -8.795 0.137 0.948 1.00 0.00 O ATOM 156 CB TRP A 11 -11.596 0.400 2.648 1.00 0.00 C ATOM 157 CG TRP A 11 -12.001 1.648 3.371 1.00 0.00 C ATOM 158 CD1 TRP A 11 -13.257 1.991 3.782 1.00 0.00 C ATOM 159 CD2 TRP A 11 -11.141 2.723 3.766 1.00 0.00 C ATOM 160 NE1 TRP A 11 -13.229 3.212 4.413 1.00 0.00 N ATOM 161 CE2 TRP A 11 -11.942 3.681 4.416 1.00 0.00 C ATOM 162 CE3 TRP A 11 -9.771 2.968 3.636 1.00 0.00 C ATOM 163 CZ2 TRP A 11 -11.418 4.863 4.934 1.00 0.00 C ATOM 164 CZ3 TRP A 11 -9.251 4.141 4.150 1.00 0.00 C ATOM 165 CH2 TRP A 11 -10.073 5.076 4.793 1.00 0.00 C ATOM 0 H TRP A 11 -13.079 0.123 0.675 1.00 0.00 H new ATOM 0 HA TRP A 11 -10.778 1.688 1.142 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -12.441 -0.289 2.625 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -10.799 -0.092 3.205 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -14.143 1.391 3.633 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -14.035 3.691 4.814 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -9.130 2.253 3.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -12.050 5.585 5.429 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -8.194 4.340 4.054 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -9.637 5.983 5.185 1.00 0.00 H new ATOM 176 N HIS A 12 -10.272 -1.504 0.524 1.00 0.00 N ATOM 177 CA HIS A 12 -9.250 -2.482 0.172 1.00 0.00 C ATOM 178 C HIS A 12 -8.562 -2.102 -1.134 1.00 0.00 C ATOM 179 O HIS A 12 -7.345 -2.239 -1.268 1.00 0.00 O ATOM 180 CB HIS A 12 -9.868 -3.877 0.058 1.00 0.00 C ATOM 181 CG HIS A 12 -10.256 -4.464 1.379 1.00 0.00 C ATOM 182 ND1 HIS A 12 -10.643 -3.715 2.468 1.00 0.00 N ATOM 183 CD2 HIS A 12 -10.309 -5.760 1.778 1.00 0.00 C ATOM 184 CE1 HIS A 12 -10.914 -4.559 3.472 1.00 0.00 C ATOM 185 NE2 HIS A 12 -10.727 -5.813 3.105 1.00 0.00 N ATOM 0 H HIS A 12 -11.228 -1.855 0.470 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.500 -2.492 0.963 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.749 -3.825 -0.581 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.157 -4.542 -0.432 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.066 -6.614 1.164 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.243 -4.253 4.454 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -10.861 -6.648 3.675 1.00 0.00 H new ATOM 193 N ASP A 13 -9.347 -1.623 -2.095 1.00 0.00 N ATOM 194 CA ASP A 13 -8.812 -1.229 -3.392 1.00 0.00 C ATOM 195 C ASP A 13 -7.891 -0.019 -3.267 1.00 0.00 C ATOM 196 O ASP A 13 -6.834 0.027 -3.894 1.00 0.00 O ATOM 197 CB ASP A 13 -9.950 -0.915 -4.365 1.00 0.00 C ATOM 198 CG ASP A 13 -9.442 -0.468 -5.722 1.00 0.00 C ATOM 199 OD1 ASP A 13 -9.258 0.752 -5.916 1.00 0.00 O ATOM 200 OD2 ASP A 13 -9.227 -1.339 -6.592 1.00 0.00 O ATOM 0 H ASP A 13 -10.355 -1.499 -1.999 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.229 -2.065 -3.778 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -10.575 -1.800 -4.487 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -10.582 -0.135 -3.941 1.00 0.00 H new ATOM 205 N LEU A 14 -8.298 0.962 -2.464 1.00 0.00 N ATOM 206 CA LEU A 14 -7.496 2.166 -2.269 1.00 0.00 C ATOM 207 C LEU A 14 -6.278 1.882 -1.398 1.00 0.00 C ATOM 208 O LEU A 14 -5.229 2.496 -1.570 1.00 0.00 O ATOM 209 CB LEU A 14 -8.340 3.296 -1.667 1.00 0.00 C ATOM 210 CG LEU A 14 -8.608 3.209 -0.165 1.00 0.00 C ATOM 211 CD1 LEU A 14 -7.493 3.890 0.612 1.00 0.00 C ATOM 212 CD2 LEU A 14 -9.952 3.841 0.167 1.00 0.00 C ATOM 0 H LEU A 14 -9.174 0.947 -1.941 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.142 2.489 -3.248 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.841 4.243 -1.872 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.298 3.322 -2.185 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.637 2.159 0.124 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.698 3.820 1.680 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.544 3.400 0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.436 4.939 0.322 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.131 3.773 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.946 4.889 -0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.743 3.315 -0.367 1.00 0.00 H new ATOM 224 N ALA A 15 -6.426 0.950 -0.463 1.00 0.00 N ATOM 225 CA ALA A 15 -5.340 0.594 0.443 1.00 0.00 C ATOM 226 C ALA A 15 -4.221 -0.149 -0.280 1.00 0.00 C ATOM 227 O ALA A 15 -3.050 0.010 0.055 1.00 0.00 O ATOM 228 CB ALA A 15 -5.864 -0.238 1.603 1.00 0.00 C ATOM 0 H ALA A 15 -7.289 0.427 -0.312 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.922 1.522 0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.040 -0.494 2.269 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.610 0.335 2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.318 -1.152 1.219 1.00 0.00 H new ATOM 234 N ALA A 16 -4.586 -0.967 -1.264 1.00 0.00 N ATOM 235 CA ALA A 16 -3.603 -1.742 -2.020 1.00 0.00 C ATOM 236 C ALA A 16 -2.425 -0.872 -2.487 1.00 0.00 C ATOM 237 O ALA A 16 -1.272 -1.190 -2.197 1.00 0.00 O ATOM 238 CB ALA A 16 -4.268 -2.448 -3.197 1.00 0.00 C ATOM 0 H ALA A 16 -5.552 -1.111 -1.557 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.194 -2.500 -1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.521 -3.020 -3.748 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.041 -3.122 -2.828 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.718 -1.708 -3.858 1.00 0.00 H new ATOM 244 N PRO A 17 -2.687 0.238 -3.216 1.00 0.00 N ATOM 245 CA PRO A 17 -1.623 1.131 -3.693 1.00 0.00 C ATOM 246 C PRO A 17 -1.001 1.955 -2.568 1.00 0.00 C ATOM 247 O PRO A 17 0.147 2.387 -2.667 1.00 0.00 O ATOM 248 CB PRO A 17 -2.346 2.048 -4.681 1.00 0.00 C ATOM 249 CG PRO A 17 -3.763 2.059 -4.230 1.00 0.00 C ATOM 250 CD PRO A 17 -4.023 0.700 -3.644 1.00 0.00 C ATOM 0 HA PRO A 17 -0.794 0.574 -4.129 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.921 3.052 -4.671 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.260 1.675 -5.702 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -3.931 2.841 -3.490 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -4.436 2.259 -5.064 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.716 0.753 -2.804 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.463 0.025 -4.378 1.00 0.00 H new ATOM 258 N VAL A 18 -1.765 2.168 -1.499 1.00 0.00 N ATOM 259 CA VAL A 18 -1.284 2.942 -0.358 1.00 0.00 C ATOM 260 C VAL A 18 -0.197 2.181 0.391 1.00 0.00 C ATOM 261 O VAL A 18 0.865 2.725 0.693 1.00 0.00 O ATOM 262 CB VAL A 18 -2.434 3.277 0.616 1.00 0.00 C ATOM 263 CG1 VAL A 18 -1.900 3.905 1.896 1.00 0.00 C ATOM 264 CG2 VAL A 18 -3.445 4.200 -0.049 1.00 0.00 C ATOM 0 H VAL A 18 -2.717 1.816 -1.399 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.871 3.872 -0.748 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.935 2.346 0.880 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.731 4.131 2.564 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.219 3.209 2.386 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.367 4.825 1.655 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.248 4.425 0.652 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.952 5.126 -0.346 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.860 3.711 -0.930 1.00 0.00 H new ATOM 274 N ILE A 19 -0.476 0.918 0.685 1.00 0.00 N ATOM 275 CA ILE A 19 0.466 0.066 1.396 1.00 0.00 C ATOM 276 C ILE A 19 1.662 -0.270 0.513 1.00 0.00 C ATOM 277 O ILE A 19 2.803 -0.280 0.974 1.00 0.00 O ATOM 278 CB ILE A 19 -0.212 -1.237 1.858 1.00 0.00 C ATOM 279 CG1 ILE A 19 -1.474 -0.916 2.662 1.00 0.00 C ATOM 280 CG2 ILE A 19 0.751 -2.074 2.687 1.00 0.00 C ATOM 281 CD1 ILE A 19 -2.458 -2.062 2.724 1.00 0.00 C ATOM 0 H ILE A 19 -1.353 0.459 0.440 1.00 0.00 H new ATOM 0 HA ILE A 19 0.811 0.615 2.272 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.496 -1.815 0.978 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.188 -0.638 3.676 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.966 -0.049 2.221 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.255 -2.991 3.005 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.626 -2.324 2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.063 -1.507 3.564 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.328 -1.764 3.309 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.773 -2.326 1.715 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.984 -2.924 3.193 1.00 0.00 H new ATOM 293 N ALA A 20 1.389 -0.543 -0.761 1.00 0.00 N ATOM 294 CA ALA A 20 2.440 -0.873 -1.714 1.00 0.00 C ATOM 295 C ALA A 20 3.398 0.299 -1.885 1.00 0.00 C ATOM 296 O ALA A 20 4.606 0.110 -2.035 1.00 0.00 O ATOM 297 CB ALA A 20 1.838 -1.268 -3.054 1.00 0.00 C ATOM 0 H ALA A 20 0.448 -0.542 -1.155 1.00 0.00 H new ATOM 0 HA ALA A 20 3.003 -1.721 -1.324 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.637 -1.511 -3.754 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.194 -2.138 -2.922 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.251 -0.438 -3.448 1.00 0.00 H new ATOM 303 N GLY A 21 2.851 1.512 -1.864 1.00 0.00 N ATOM 304 CA GLY A 21 3.675 2.697 -2.006 1.00 0.00 C ATOM 305 C GLY A 21 4.671 2.827 -0.873 1.00 0.00 C ATOM 306 O GLY A 21 5.841 3.142 -1.095 1.00 0.00 O ATOM 0 H GLY A 21 1.854 1.694 -1.751 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.208 2.658 -2.956 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.038 3.581 -2.034 1.00 0.00 H new ATOM 310 N ILE A 22 4.201 2.582 0.346 1.00 0.00 N ATOM 311 CA ILE A 22 5.051 2.654 1.526 1.00 0.00 C ATOM 312 C ILE A 22 6.096 1.545 1.491 1.00 0.00 C ATOM 313 O ILE A 22 7.235 1.733 1.919 1.00 0.00 O ATOM 314 CB ILE A 22 4.223 2.538 2.821 1.00 0.00 C ATOM 315 CG1 ILE A 22 3.124 3.604 2.841 1.00 0.00 C ATOM 316 CG2 ILE A 22 5.122 2.672 4.043 1.00 0.00 C ATOM 317 CD1 ILE A 22 2.084 3.387 3.919 1.00 0.00 C ATOM 0 H ILE A 22 3.232 2.331 0.541 1.00 0.00 H new ATOM 0 HA ILE A 22 5.547 3.625 1.518 1.00 0.00 H new ATOM 0 HB ILE A 22 3.754 1.554 2.849 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.582 4.583 2.983 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.629 3.621 1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.521 2.588 4.948 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.872 1.882 4.031 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.617 3.643 4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.339 4.181 3.871 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.598 2.423 3.767 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.565 3.400 4.897 1.00 0.00 H new ATOM 329 N LEU A 23 5.693 0.385 0.982 1.00 0.00 N ATOM 330 CA LEU A 23 6.589 -0.758 0.871 1.00 0.00 C ATOM 331 C LEU A 23 7.716 -0.458 -0.111 1.00 0.00 C ATOM 332 O LEU A 23 8.846 -0.912 0.067 1.00 0.00 O ATOM 333 CB LEU A 23 5.813 -2.000 0.419 1.00 0.00 C ATOM 334 CG LEU A 23 6.670 -3.223 0.081 1.00 0.00 C ATOM 335 CD1 LEU A 23 7.434 -3.705 1.305 1.00 0.00 C ATOM 336 CD2 LEU A 23 5.801 -4.340 -0.480 1.00 0.00 C ATOM 0 H LEU A 23 4.748 0.213 0.639 1.00 0.00 H new ATOM 0 HA LEU A 23 7.023 -0.952 1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.111 -2.276 1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.221 -1.739 -0.458 1.00 0.00 H new ATOM 0 HG LEU A 23 7.396 -2.932 -0.678 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.035 -4.574 1.039 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.086 -2.909 1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.729 -3.978 2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.424 -5.203 -0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.052 -4.624 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.303 -3.994 -1.386 1.00 0.00 H new ATOM 348 N ALA A 24 7.396 0.309 -1.150 1.00 0.00 N ATOM 349 CA ALA A 24 8.377 0.674 -2.164 1.00 0.00 C ATOM 350 C ALA A 24 9.493 1.522 -1.566 1.00 0.00 C ATOM 351 O ALA A 24 10.667 1.326 -1.877 1.00 0.00 O ATOM 352 CB ALA A 24 7.704 1.417 -3.308 1.00 0.00 C ATOM 0 H ALA A 24 6.463 0.689 -1.311 1.00 0.00 H new ATOM 0 HA ALA A 24 8.820 -0.243 -2.552 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.449 1.683 -4.057 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.946 0.778 -3.761 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.234 2.323 -2.926 1.00 0.00 H new ATOM 358 N SER A 25 9.120 2.464 -0.705 1.00 0.00 N ATOM 359 CA SER A 25 10.095 3.341 -0.068 1.00 0.00 C ATOM 360 C SER A 25 11.020 2.547 0.846 1.00 0.00 C ATOM 361 O SER A 25 12.201 2.865 0.971 1.00 0.00 O ATOM 362 CB SER A 25 9.391 4.441 0.728 1.00 0.00 C ATOM 363 OG SER A 25 8.665 3.900 1.818 1.00 0.00 O ATOM 0 H SER A 25 8.153 2.639 -0.433 1.00 0.00 H new ATOM 0 HA SER A 25 10.694 3.804 -0.852 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.128 5.155 1.097 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.714 4.991 0.074 1.00 0.00 H new ATOM 0 HG SER A 25 8.054 3.207 1.492 1.00 0.00 H new ATOM 369 N MET A 26 10.477 1.514 1.483 1.00 0.00 N ATOM 370 CA MET A 26 11.265 0.677 2.381 1.00 0.00 C ATOM 371 C MET A 26 12.304 -0.120 1.602 1.00 0.00 C ATOM 372 O MET A 26 13.444 -0.266 2.042 1.00 0.00 O ATOM 373 CB MET A 26 10.360 -0.271 3.171 1.00 0.00 C ATOM 374 CG MET A 26 9.424 0.445 4.132 1.00 0.00 C ATOM 375 SD MET A 26 8.658 -0.674 5.323 1.00 0.00 S ATOM 376 CE MET A 26 7.737 -1.758 4.236 1.00 0.00 C ATOM 0 H MET A 26 9.499 1.237 1.395 1.00 0.00 H new ATOM 0 HA MET A 26 11.782 1.331 3.083 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.768 -0.862 2.472 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.981 -0.969 3.733 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.980 1.214 4.668 1.00 0.00 H new ATOM 0 HG3 MET A 26 8.645 0.952 3.563 1.00 0.00 H new ATOM 0 HE1 MET A 26 7.356 -2.606 4.805 1.00 0.00 H new ATOM 0 HE2 MET A 26 6.903 -1.210 3.798 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.391 -2.119 3.442 1.00 0.00 H new ATOM 386 N ILE A 27 11.902 -0.635 0.442 1.00 0.00 N ATOM 387 CA ILE A 27 12.806 -1.409 -0.399 1.00 0.00 C ATOM 388 C ILE A 27 13.933 -0.529 -0.926 1.00 0.00 C ATOM 389 O ILE A 27 15.094 -0.937 -0.945 1.00 0.00 O ATOM 390 CB ILE A 27 12.064 -2.060 -1.586 1.00 0.00 C ATOM 391 CG1 ILE A 27 10.986 -3.021 -1.076 1.00 0.00 C ATOM 392 CG2 ILE A 27 13.048 -2.791 -2.490 1.00 0.00 C ATOM 393 CD1 ILE A 27 10.136 -3.625 -2.174 1.00 0.00 C ATOM 0 H ILE A 27 10.960 -0.530 0.066 1.00 0.00 H new ATOM 0 HA ILE A 27 13.223 -2.202 0.222 1.00 0.00 H new ATOM 0 HB ILE A 27 11.580 -1.275 -2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.464 -3.825 -0.516 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.338 -2.489 -0.379 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.510 -3.245 -3.322 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.782 -2.084 -2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 27 13.557 -3.568 -1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 27 9.396 -4.294 -1.735 1.00 0.00 H new ATOM 0 HD12 ILE A 27 9.628 -2.830 -2.720 1.00 0.00 H new ATOM 0 HD13 ILE A 27 10.771 -4.187 -2.859 1.00 0.00 H new ATOM 405 N VAL A 28 13.585 0.682 -1.354 1.00 0.00 N ATOM 406 CA VAL A 28 14.575 1.619 -1.871 1.00 0.00 C ATOM 407 C VAL A 28 15.557 2.022 -0.777 1.00 0.00 C ATOM 408 O VAL A 28 16.764 2.091 -1.008 1.00 0.00 O ATOM 409 CB VAL A 28 13.910 2.883 -2.453 1.00 0.00 C ATOM 410 CG1 VAL A 28 14.961 3.892 -2.892 1.00 0.00 C ATOM 411 CG2 VAL A 28 13.001 2.517 -3.616 1.00 0.00 C ATOM 0 H VAL A 28 12.628 1.035 -1.353 1.00 0.00 H new ATOM 0 HA VAL A 28 15.112 1.111 -2.672 1.00 0.00 H new ATOM 0 HB VAL A 28 13.304 3.342 -1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.469 4.776 -3.299 1.00 0.00 H new ATOM 0 HG12 VAL A 28 15.571 4.179 -2.035 1.00 0.00 H new ATOM 0 HG13 VAL A 28 15.597 3.446 -3.657 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.540 3.420 -4.015 1.00 0.00 H new ATOM 0 HG22 VAL A 28 13.587 2.033 -4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.224 1.835 -3.270 1.00 0.00 H new ATOM 421 N ASN A 29 15.032 2.287 0.416 1.00 0.00 N ATOM 422 CA ASN A 29 15.866 2.674 1.548 1.00 0.00 C ATOM 423 C ASN A 29 16.857 1.565 1.887 1.00 0.00 C ATOM 424 O ASN A 29 17.985 1.829 2.302 1.00 0.00 O ATOM 425 CB ASN A 29 14.996 2.991 2.768 1.00 0.00 C ATOM 426 CG ASN A 29 14.165 4.248 2.583 1.00 0.00 C ATOM 427 OD1 ASN A 29 14.700 5.210 1.840 1.00 0.00 O flip ATOM 428 ND2 ASN A 29 13.055 4.354 3.105 1.00 0.00 N flip ATOM 0 H ASN A 29 14.034 2.241 0.623 1.00 0.00 H new ATOM 0 HA ASN A 29 16.424 3.568 1.272 1.00 0.00 H new ATOM 0 HB2 ASN A 29 14.334 2.148 2.966 1.00 0.00 H new ATOM 0 HB3 ASN A 29 15.634 3.108 3.644 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.681 3.590 3.668 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.509 5.206 2.974 1.00 0.00 H new ATOM 435 N TRP A 30 16.423 0.322 1.702 1.00 0.00 N ATOM 436 CA TRP A 30 17.264 -0.837 1.979 1.00 0.00 C ATOM 437 C TRP A 30 18.397 -0.940 0.961 1.00 0.00 C ATOM 438 O TRP A 30 19.562 -1.088 1.326 1.00 0.00 O ATOM 439 CB TRP A 30 16.412 -2.112 1.966 1.00 0.00 C ATOM 440 CG TRP A 30 17.198 -3.367 1.734 1.00 0.00 C ATOM 441 CD1 TRP A 30 18.197 -3.870 2.517 1.00 0.00 C ATOM 442 CD2 TRP A 30 17.044 -4.280 0.643 1.00 0.00 C ATOM 443 NE1 TRP A 30 18.676 -5.039 1.975 1.00 0.00 N ATOM 444 CE2 TRP A 30 17.983 -5.312 0.825 1.00 0.00 C ATOM 445 CE3 TRP A 30 16.201 -4.323 -0.472 1.00 0.00 C ATOM 446 CZ2 TRP A 30 18.102 -6.375 -0.067 1.00 0.00 C ATOM 447 CZ3 TRP A 30 16.320 -5.379 -1.356 1.00 0.00 C ATOM 448 CH2 TRP A 30 17.264 -6.392 -1.149 1.00 0.00 C ATOM 0 H TRP A 30 15.490 0.091 1.360 1.00 0.00 H new ATOM 0 HA TRP A 30 17.709 -0.718 2.967 1.00 0.00 H new ATOM 0 HB2 TRP A 30 15.886 -2.195 2.917 1.00 0.00 H new ATOM 0 HB3 TRP A 30 15.653 -2.022 1.189 1.00 0.00 H new ATOM 0 HD1 TRP A 30 18.558 -3.416 3.428 1.00 0.00 H new ATOM 0 HE1 TRP A 30 19.425 -5.610 2.365 1.00 0.00 H new ATOM 0 HE3 TRP A 30 15.470 -3.545 -0.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 18.829 -7.158 0.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 15.674 -5.423 -2.221 1.00 0.00 H new ATOM 0 HH2 TRP A 30 17.332 -7.204 -1.858 1.00 0.00 H new ATOM 459 N LEU A 31 18.047 -0.863 -0.318 1.00 0.00 N ATOM 460 CA LEU A 31 19.035 -0.944 -1.386 1.00 0.00 C ATOM 461 C LEU A 31 20.010 0.230 -1.328 1.00 0.00 C ATOM 462 O LEU A 31 21.165 0.111 -1.738 1.00 0.00 O ATOM 463 CB LEU A 31 18.342 -0.979 -2.747 1.00 0.00 C ATOM 464 CG LEU A 31 17.777 -2.342 -3.148 1.00 0.00 C ATOM 465 CD1 LEU A 31 16.900 -2.206 -4.379 1.00 0.00 C ATOM 466 CD2 LEU A 31 18.903 -3.332 -3.404 1.00 0.00 C ATOM 0 H LEU A 31 17.086 -0.745 -0.640 1.00 0.00 H new ATOM 0 HA LEU A 31 19.602 -1.865 -1.248 1.00 0.00 H new ATOM 0 HB2 LEU A 31 17.530 -0.252 -2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 31 19.053 -0.659 -3.509 1.00 0.00 H new ATOM 0 HG LEU A 31 17.168 -2.720 -2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 31 16.504 -3.184 -4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 31 16.074 -1.528 -4.164 1.00 0.00 H new ATOM 0 HD13 LEU A 31 17.491 -1.809 -5.204 1.00 0.00 H new ATOM 0 HD21 LEU A 31 18.482 -4.296 -3.688 1.00 0.00 H new ATOM 0 HD22 LEU A 31 19.537 -2.961 -4.209 1.00 0.00 H new ATOM 0 HD23 LEU A 31 19.498 -3.449 -2.498 1.00 0.00 H new ATOM 478 N ASN A 32 19.537 1.361 -0.814 1.00 0.00 N ATOM 479 CA ASN A 32 20.358 2.564 -0.712 1.00 0.00 C ATOM 480 C ASN A 32 21.391 2.458 0.407 1.00 0.00 C ATOM 481 O ASN A 32 22.339 3.242 0.456 1.00 0.00 O ATOM 482 CB ASN A 32 19.470 3.790 -0.484 1.00 0.00 C ATOM 483 CG ASN A 32 18.784 4.260 -1.755 1.00 0.00 C ATOM 484 OD1 ASN A 32 18.525 3.333 -2.672 1.00 0.00 O flip ATOM 485 ND2 ASN A 32 18.489 5.444 -1.910 1.00 0.00 N flip ATOM 0 H ASN A 32 18.586 1.470 -0.460 1.00 0.00 H new ATOM 0 HA ASN A 32 20.898 2.671 -1.653 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.715 3.553 0.265 1.00 0.00 H new ATOM 0 HB3 ASN A 32 20.075 4.602 -0.081 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.706 6.123 -1.181 1.00 0.00 H new ATOM 0 HD22 ASN A 32 18.027 5.747 -2.768 1.00 0.00 H new ATOM 492 N LYS A 33 21.211 1.493 1.305 1.00 0.00 N ATOM 493 CA LYS A 33 22.142 1.312 2.416 1.00 0.00 C ATOM 494 C LYS A 33 23.083 0.139 2.158 1.00 0.00 C ATOM 495 O LYS A 33 24.157 0.051 2.755 1.00 0.00 O ATOM 496 CB LYS A 33 21.380 1.104 3.731 1.00 0.00 C ATOM 497 CG LYS A 33 20.895 -0.322 3.949 1.00 0.00 C ATOM 498 CD LYS A 33 21.781 -1.066 4.937 1.00 0.00 C ATOM 499 CE LYS A 33 21.322 -2.503 5.127 1.00 0.00 C ATOM 500 NZ LYS A 33 22.139 -3.214 6.150 1.00 0.00 N ATOM 0 H LYS A 33 20.436 0.830 1.287 1.00 0.00 H new ATOM 0 HA LYS A 33 22.742 2.218 2.500 1.00 0.00 H new ATOM 0 HB2 LYS A 33 22.026 1.388 4.562 1.00 0.00 H new ATOM 0 HB3 LYS A 33 20.522 1.775 3.751 1.00 0.00 H new ATOM 0 HG2 LYS A 33 19.870 -0.306 4.318 1.00 0.00 H new ATOM 0 HG3 LYS A 33 20.883 -0.853 2.997 1.00 0.00 H new ATOM 0 HD2 LYS A 33 22.811 -1.056 4.582 1.00 0.00 H new ATOM 0 HD3 LYS A 33 21.770 -0.550 5.897 1.00 0.00 H new ATOM 0 HE2 LYS A 33 20.274 -2.513 5.427 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.387 -3.034 4.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 21.796 -4.190 6.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.135 -3.226 5.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 22.057 -2.722 7.063 1.00 0.00 H new ATOM 514 N ARG A 34 22.677 -0.761 1.266 1.00 0.00 N ATOM 515 CA ARG A 34 23.491 -1.925 0.937 1.00 0.00 C ATOM 516 C ARG A 34 24.242 -1.714 -0.375 1.00 0.00 C ATOM 517 O ARG A 34 24.794 -2.656 -0.943 1.00 0.00 O ATOM 518 CB ARG A 34 22.619 -3.182 0.844 1.00 0.00 C ATOM 519 CG ARG A 34 21.720 -3.220 -0.383 1.00 0.00 C ATOM 520 CD ARG A 34 21.258 -4.637 -0.683 1.00 0.00 C ATOM 521 NE ARG A 34 22.385 -5.557 -0.817 1.00 0.00 N ATOM 522 CZ ARG A 34 22.288 -6.783 -1.322 1.00 0.00 C ATOM 523 NH1 ARG A 34 21.118 -7.241 -1.746 1.00 0.00 N ATOM 524 NH2 ARG A 34 23.365 -7.554 -1.403 1.00 0.00 N ATOM 0 H ARG A 34 21.793 -0.706 0.761 1.00 0.00 H new ATOM 0 HA ARG A 34 24.221 -2.059 1.735 1.00 0.00 H new ATOM 0 HB2 ARG A 34 23.265 -4.060 0.836 1.00 0.00 H new ATOM 0 HB3 ARG A 34 22.000 -3.249 1.738 1.00 0.00 H new ATOM 0 HG2 ARG A 34 20.853 -2.579 -0.222 1.00 0.00 H new ATOM 0 HG3 ARG A 34 22.257 -2.820 -1.243 1.00 0.00 H new ATOM 0 HD2 ARG A 34 20.600 -4.982 0.115 1.00 0.00 H new ATOM 0 HD3 ARG A 34 20.673 -4.642 -1.603 1.00 0.00 H new ATOM 0 HE ARG A 34 23.302 -5.239 -0.504 1.00 0.00 H new ATOM 0 HH11 ARG A 34 20.287 -6.652 -1.685 1.00 0.00 H new ATOM 0 HH12 ARG A 34 21.049 -8.182 -2.133 1.00 0.00 H new ATOM 0 HH21 ARG A 34 24.267 -7.206 -1.078 1.00 0.00 H new ATOM 0 HH22 ARG A 34 23.291 -8.495 -1.790 1.00 0.00 H new ATOM 538 N LYS A 35 24.257 -0.471 -0.849 1.00 0.00 N ATOM 539 CA LYS A 35 24.940 -0.133 -2.094 1.00 0.00 C ATOM 540 C LYS A 35 26.413 -0.527 -2.038 1.00 0.00 C ATOM 541 O LYS A 35 27.221 0.268 -1.514 1.00 0.00 O ATOM 542 CB LYS A 35 24.803 1.364 -2.385 1.00 0.00 C ATOM 543 CG LYS A 35 24.966 2.245 -1.155 1.00 0.00 C ATOM 544 CD LYS A 35 24.794 3.718 -1.493 1.00 0.00 C ATOM 545 CE LYS A 35 25.930 4.232 -2.364 1.00 0.00 C ATOM 546 NZ LYS A 35 25.805 5.690 -2.639 1.00 0.00 N ATOM 547 OXT LYS A 35 26.747 -1.630 -2.520 1.00 0.00 O ATOM 0 H LYS A 35 23.804 0.319 -0.390 1.00 0.00 H new ATOM 0 HA LYS A 35 24.470 -0.695 -2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 35 25.548 1.650 -3.127 1.00 0.00 H new ATOM 0 HB3 LYS A 35 23.825 1.551 -2.827 1.00 0.00 H new ATOM 0 HG2 LYS A 35 24.234 1.957 -0.401 1.00 0.00 H new ATOM 0 HG3 LYS A 35 25.952 2.084 -0.720 1.00 0.00 H new ATOM 0 HD2 LYS A 35 23.845 3.865 -2.009 1.00 0.00 H new ATOM 0 HD3 LYS A 35 24.749 4.300 -0.572 1.00 0.00 H new ATOM 0 HE2 LYS A 35 26.882 4.036 -1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 35 25.941 3.685 -3.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 26.599 6.000 -3.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 24.908 5.875 -3.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 25.821 6.215 -1.741 1.00 0.00 H new TER 561 LYS A 35