USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=5 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 Set 1.1: A 29 ASN : amide:sc= -0.0584 X(o=-2.6,f=-2.6) USER MOD Set 1.2: A 32 ASN : amide:sc= -2.59 K(o=-2.6,f=-1.3) USER MOD Single : A 1 MET CE :methyl 158:sc= -0.239 (180deg=-0.896) USER MOD Single : A 1 MET N :NH3+ 141:sc= -0.001 (180deg=-0.35) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0208 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.468 K(o=-0.47,f=-1.7) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 171:sc= -2.34 (180deg=-2.51!) 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 27.040 0.349 -4.170 1.00 0.00 N ATOM 2 CA MET A 1 26.235 1.214 -3.269 1.00 0.00 C ATOM 3 C MET A 1 25.994 0.527 -1.929 1.00 0.00 C ATOM 4 O MET A 1 26.425 -0.606 -1.716 1.00 0.00 O ATOM 5 CB MET A 1 24.899 1.559 -3.928 1.00 0.00 C ATOM 6 CG MET A 1 24.079 0.340 -4.320 1.00 0.00 C ATOM 7 SD MET A 1 22.573 0.774 -5.211 1.00 0.00 S ATOM 8 CE MET A 1 23.250 1.576 -6.662 1.00 0.00 C ATOM 0 H1 MET A 1 26.682 0.432 -5.143 1.00 0.00 H new ATOM 0 H2 MET A 1 28.035 0.649 -4.141 1.00 0.00 H new ATOM 0 H3 MET A 1 26.967 -0.640 -3.858 1.00 0.00 H new ATOM 0 HA MET A 1 26.793 2.133 -3.088 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.315 2.175 -3.244 1.00 0.00 H new ATOM 0 HB3 MET A 1 25.087 2.161 -4.817 1.00 0.00 H new ATOM 0 HG2 MET A 1 24.687 -0.318 -4.941 1.00 0.00 H new ATOM 0 HG3 MET A 1 23.817 -0.221 -3.423 1.00 0.00 H new ATOM 0 HE1 MET A 1 22.516 1.550 -7.468 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.493 2.612 -6.425 1.00 0.00 H new ATOM 0 HE3 MET A 1 24.154 1.055 -6.978 1.00 0.00 H new ATOM 20 N THR A 2 25.302 1.221 -1.030 1.00 0.00 N ATOM 21 CA THR A 2 25.010 0.680 0.292 1.00 0.00 C ATOM 22 C THR A 2 23.644 0.009 0.332 1.00 0.00 C ATOM 23 O THR A 2 22.666 0.533 -0.202 1.00 0.00 O ATOM 24 CB THR A 2 25.053 1.775 1.372 1.00 0.00 C ATOM 25 OG1 THR A 2 25.437 3.026 0.787 1.00 0.00 O ATOM 26 CG2 THR A 2 26.031 1.403 2.476 1.00 0.00 C ATOM 0 H THR A 2 24.934 2.158 -1.193 1.00 0.00 H new ATOM 0 HA THR A 2 25.782 -0.061 0.498 1.00 0.00 H new ATOM 0 HB THR A 2 24.057 1.869 1.805 1.00 0.00 H new ATOM 0 HG1 THR A 2 25.460 3.718 1.481 1.00 0.00 H new ATOM 0 HG21 THR A 2 26.046 2.191 3.229 1.00 0.00 H new ATOM 0 HG22 THR A 2 25.720 0.466 2.937 1.00 0.00 H new ATOM 0 HG23 THR A 2 27.029 1.286 2.054 1.00 0.00 H new ATOM 34 N PHE A 3 23.588 -1.157 0.967 1.00 0.00 N ATOM 35 CA PHE A 3 22.344 -1.902 1.087 1.00 0.00 C ATOM 36 C PHE A 3 21.328 -1.124 1.914 1.00 0.00 C ATOM 37 O PHE A 3 20.126 -1.193 1.661 1.00 0.00 O ATOM 38 CB PHE A 3 22.602 -3.266 1.725 1.00 0.00 C ATOM 39 CG PHE A 3 21.576 -4.293 1.352 1.00 0.00 C ATOM 40 CD1 PHE A 3 21.460 -4.718 0.041 1.00 0.00 C ATOM 41 CD2 PHE A 3 20.730 -4.830 2.307 1.00 0.00 C ATOM 42 CE1 PHE A 3 20.516 -5.661 -0.314 1.00 0.00 C ATOM 43 CE2 PHE A 3 19.783 -5.774 1.960 1.00 0.00 C ATOM 44 CZ PHE A 3 19.676 -6.191 0.646 1.00 0.00 C ATOM 0 H PHE A 3 24.392 -1.605 1.406 1.00 0.00 H new ATOM 0 HA PHE A 3 21.937 -2.050 0.087 1.00 0.00 H new ATOM 0 HB2 PHE A 3 23.588 -3.620 1.425 1.00 0.00 H new ATOM 0 HB3 PHE A 3 22.620 -3.156 2.809 1.00 0.00 H new ATOM 0 HD1 PHE A 3 22.115 -4.308 -0.713 1.00 0.00 H new ATOM 0 HD2 PHE A 3 20.811 -4.507 3.335 1.00 0.00 H new ATOM 0 HE1 PHE A 3 20.434 -5.984 -1.341 1.00 0.00 H new ATOM 0 HE2 PHE A 3 19.128 -6.185 2.713 1.00 0.00 H new ATOM 0 HZ PHE A 3 18.937 -6.929 0.371 1.00 0.00 H new ATOM 54 N ALA A 4 21.819 -0.389 2.908 1.00 0.00 N ATOM 55 CA ALA A 4 20.951 0.404 3.769 1.00 0.00 C ATOM 56 C ALA A 4 20.342 1.565 2.994 1.00 0.00 C ATOM 57 O ALA A 4 19.163 1.882 3.155 1.00 0.00 O ATOM 58 CB ALA A 4 21.722 0.919 4.975 1.00 0.00 C ATOM 0 H ALA A 4 22.811 -0.327 3.136 1.00 0.00 H new ATOM 0 HA ALA A 4 20.143 -0.236 4.122 1.00 0.00 H new ATOM 0 HB1 ALA A 4 21.058 1.509 5.607 1.00 0.00 H new ATOM 0 HB2 ALA A 4 22.111 0.076 5.546 1.00 0.00 H new ATOM 0 HB3 ALA A 4 22.551 1.542 4.638 1.00 0.00 H new ATOM 64 N GLU A 5 21.155 2.196 2.151 1.00 0.00 N ATOM 65 CA GLU A 5 20.694 3.316 1.342 1.00 0.00 C ATOM 66 C GLU A 5 19.639 2.849 0.347 1.00 0.00 C ATOM 67 O GLU A 5 18.734 3.603 -0.015 1.00 0.00 O ATOM 68 CB GLU A 5 21.867 3.964 0.605 1.00 0.00 C ATOM 69 CG GLU A 5 22.887 4.608 1.531 1.00 0.00 C ATOM 70 CD GLU A 5 22.281 5.689 2.404 1.00 0.00 C ATOM 71 OE1 GLU A 5 21.875 5.375 3.543 1.00 0.00 O ATOM 72 OE2 GLU A 5 22.213 6.851 1.950 1.00 0.00 O ATOM 0 H GLU A 5 22.135 1.950 2.012 1.00 0.00 H new ATOM 0 HA GLU A 5 20.248 4.059 2.003 1.00 0.00 H new ATOM 0 HB2 GLU A 5 22.366 3.208 -0.002 1.00 0.00 H new ATOM 0 HB3 GLU A 5 21.482 4.720 -0.080 1.00 0.00 H new ATOM 0 HG2 GLU A 5 23.332 3.841 2.165 1.00 0.00 H new ATOM 0 HG3 GLU A 5 23.693 5.036 0.936 1.00 0.00 H new ATOM 79 N LEU A 6 19.762 1.599 -0.094 1.00 0.00 N ATOM 80 CA LEU A 6 18.810 1.026 -1.036 1.00 0.00 C ATOM 81 C LEU A 6 17.679 0.343 -0.282 1.00 0.00 C ATOM 82 O LEU A 6 16.642 0.015 -0.855 1.00 0.00 O ATOM 83 CB LEU A 6 19.501 0.019 -1.960 1.00 0.00 C ATOM 84 CG LEU A 6 18.677 -0.427 -3.171 1.00 0.00 C ATOM 85 CD1 LEU A 6 19.559 -0.535 -4.406 1.00 0.00 C ATOM 86 CD2 LEU A 6 17.993 -1.758 -2.893 1.00 0.00 C ATOM 0 H LEU A 6 20.511 0.966 0.187 1.00 0.00 H new ATOM 0 HA LEU A 6 18.402 1.832 -1.645 1.00 0.00 H new ATOM 0 HB2 LEU A 6 20.433 0.457 -2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 6 19.766 -0.863 -1.377 1.00 0.00 H new ATOM 0 HG LEU A 6 17.909 0.324 -3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 6 18.956 -0.853 -5.257 1.00 0.00 H new ATOM 0 HD12 LEU A 6 20.005 0.436 -4.620 1.00 0.00 H new ATOM 0 HD13 LEU A 6 20.348 -1.265 -4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 6 17.412 -2.058 -3.765 1.00 0.00 H new ATOM 0 HD22 LEU A 6 18.746 -2.517 -2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 6 17.330 -1.654 -2.034 1.00 0.00 H new ATOM 98 N GLY A 7 17.886 0.145 1.015 1.00 0.00 N ATOM 99 CA GLY A 7 16.878 -0.497 1.835 1.00 0.00 C ATOM 100 C GLY A 7 15.626 0.343 1.970 1.00 0.00 C ATOM 101 O GLY A 7 14.514 -0.174 1.894 1.00 0.00 O ATOM 0 H GLY A 7 18.734 0.418 1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.620 -1.462 1.400 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.289 -0.693 2.825 1.00 0.00 H new ATOM 105 N MET A 8 15.807 1.645 2.167 1.00 0.00 N ATOM 106 CA MET A 8 14.683 2.560 2.316 1.00 0.00 C ATOM 107 C MET A 8 13.972 2.783 0.984 1.00 0.00 C ATOM 108 O MET A 8 12.745 2.769 0.919 1.00 0.00 O ATOM 109 CB MET A 8 15.164 3.895 2.888 1.00 0.00 C ATOM 110 CG MET A 8 15.744 3.781 4.290 1.00 0.00 C ATOM 111 SD MET A 8 14.503 3.328 5.517 1.00 0.00 S ATOM 112 CE MET A 8 15.496 3.282 7.007 1.00 0.00 C ATOM 0 H MET A 8 16.723 2.090 2.227 1.00 0.00 H new ATOM 0 HA MET A 8 13.970 2.111 3.007 1.00 0.00 H new ATOM 0 HB2 MET A 8 15.920 4.315 2.224 1.00 0.00 H new ATOM 0 HB3 MET A 8 14.329 4.596 2.905 1.00 0.00 H new ATOM 0 HG2 MET A 8 16.540 3.036 4.291 1.00 0.00 H new ATOM 0 HG3 MET A 8 16.197 4.732 4.570 1.00 0.00 H new ATOM 0 HE1 MET A 8 14.866 3.015 7.856 1.00 0.00 H new ATOM 0 HE2 MET A 8 16.287 2.541 6.894 1.00 0.00 H new ATOM 0 HE3 MET A 8 15.940 4.263 7.179 1.00 0.00 H new ATOM 122 N ALA A 9 14.747 2.988 -0.077 1.00 0.00 N ATOM 123 CA ALA A 9 14.181 3.209 -1.404 1.00 0.00 C ATOM 124 C ALA A 9 13.410 1.983 -1.879 1.00 0.00 C ATOM 125 O ALA A 9 12.316 2.098 -2.433 1.00 0.00 O ATOM 126 CB ALA A 9 15.280 3.557 -2.396 1.00 0.00 C ATOM 0 H ALA A 9 15.766 3.006 -0.044 1.00 0.00 H new ATOM 0 HA ALA A 9 13.485 4.046 -1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 9 14.843 3.719 -3.381 1.00 0.00 H new ATOM 0 HB2 ALA A 9 15.789 4.464 -2.071 1.00 0.00 H new ATOM 0 HB3 ALA A 9 15.997 2.737 -2.447 1.00 0.00 H new ATOM 132 N PHE A 10 13.993 0.810 -1.659 1.00 0.00 N ATOM 133 CA PHE A 10 13.373 -0.448 -2.060 1.00 0.00 C ATOM 134 C PHE A 10 12.139 -0.749 -1.211 1.00 0.00 C ATOM 135 O PHE A 10 11.092 -1.120 -1.740 1.00 0.00 O ATOM 136 CB PHE A 10 14.396 -1.586 -1.958 1.00 0.00 C ATOM 137 CG PHE A 10 13.803 -2.967 -2.003 1.00 0.00 C ATOM 138 CD1 PHE A 10 14.181 -3.917 -1.068 1.00 0.00 C ATOM 139 CD2 PHE A 10 12.875 -3.316 -2.972 1.00 0.00 C ATOM 140 CE1 PHE A 10 13.645 -5.189 -1.097 1.00 0.00 C ATOM 141 CE2 PHE A 10 12.335 -4.588 -3.006 1.00 0.00 C ATOM 142 CZ PHE A 10 12.721 -5.526 -2.067 1.00 0.00 C ATOM 0 H PHE A 10 14.899 0.704 -1.203 1.00 0.00 H new ATOM 0 HA PHE A 10 13.045 -0.360 -3.096 1.00 0.00 H new ATOM 0 HB2 PHE A 10 15.113 -1.486 -2.773 1.00 0.00 H new ATOM 0 HB3 PHE A 10 14.953 -1.474 -1.028 1.00 0.00 H new ATOM 0 HD1 PHE A 10 14.903 -3.659 -0.308 1.00 0.00 H new ATOM 0 HD2 PHE A 10 12.571 -2.586 -3.708 1.00 0.00 H new ATOM 0 HE1 PHE A 10 13.948 -5.920 -0.362 1.00 0.00 H new ATOM 0 HE2 PHE A 10 11.612 -4.849 -3.765 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.301 -6.521 -2.092 1.00 0.00 H new ATOM 152 N TRP A 11 12.265 -0.592 0.105 1.00 0.00 N ATOM 153 CA TRP A 11 11.149 -0.850 1.008 1.00 0.00 C ATOM 154 C TRP A 11 9.988 0.096 0.727 1.00 0.00 C ATOM 155 O TRP A 11 8.829 -0.312 0.737 1.00 0.00 O ATOM 156 CB TRP A 11 11.588 -0.723 2.468 1.00 0.00 C ATOM 157 CG TRP A 11 11.980 -2.031 3.083 1.00 0.00 C ATOM 158 CD1 TRP A 11 13.230 -2.412 3.480 1.00 0.00 C ATOM 159 CD2 TRP A 11 11.114 -3.135 3.369 1.00 0.00 C ATOM 160 NE1 TRP A 11 13.192 -3.685 3.997 1.00 0.00 N ATOM 161 CE2 TRP A 11 11.905 -4.150 3.939 1.00 0.00 C ATOM 162 CE3 TRP A 11 9.745 -3.363 3.198 1.00 0.00 C ATOM 163 CZ2 TRP A 11 11.372 -5.373 4.340 1.00 0.00 C ATOM 164 CZ3 TRP A 11 9.218 -4.577 3.596 1.00 0.00 C ATOM 165 CH2 TRP A 11 10.030 -5.569 4.161 1.00 0.00 C ATOM 0 H TRP A 11 13.123 -0.289 0.566 1.00 0.00 H new ATOM 0 HA TRP A 11 10.812 -1.872 0.833 1.00 0.00 H new ATOM 0 HB2 TRP A 11 12.430 -0.034 2.529 1.00 0.00 H new ATOM 0 HB3 TRP A 11 10.776 -0.285 3.048 1.00 0.00 H new ATOM 0 HD1 TRP A 11 14.118 -1.803 3.400 1.00 0.00 H new ATOM 0 HE1 TRP A 11 13.992 -4.200 4.364 1.00 0.00 H new ATOM 0 HE3 TRP A 11 9.111 -2.604 2.763 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 11.996 -6.139 4.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 8.162 -4.764 3.469 1.00 0.00 H new ATOM 0 HH2 TRP A 11 9.588 -6.507 4.461 1.00 0.00 H new ATOM 176 N HIS A 12 10.305 1.362 0.481 1.00 0.00 N ATOM 177 CA HIS A 12 9.284 2.361 0.194 1.00 0.00 C ATOM 178 C HIS A 12 8.621 2.096 -1.154 1.00 0.00 C ATOM 179 O HIS A 12 7.407 2.241 -1.296 1.00 0.00 O ATOM 180 CB HIS A 12 9.890 3.766 0.215 1.00 0.00 C ATOM 181 CG HIS A 12 10.199 4.259 1.595 1.00 0.00 C ATOM 182 ND1 HIS A 12 10.662 3.454 2.611 1.00 0.00 N ATOM 183 CD2 HIS A 12 10.099 5.506 2.121 1.00 0.00 C ATOM 184 CE1 HIS A 12 10.825 4.219 3.699 1.00 0.00 C ATOM 185 NE2 HIS A 12 10.498 5.473 3.454 1.00 0.00 N ATOM 0 H HIS A 12 11.260 1.720 0.475 1.00 0.00 H new ATOM 0 HA HIS A 12 8.521 2.293 0.969 1.00 0.00 H new ATOM 0 HB2 HIS A 12 10.805 3.768 -0.377 1.00 0.00 H new ATOM 0 HB3 HIS A 12 9.199 4.459 -0.264 1.00 0.00 H new ATOM 0 HD2 HIS A 12 9.763 6.384 1.590 1.00 0.00 H new ATOM 0 HE1 HIS A 12 11.178 3.856 4.653 1.00 0.00 H new ATOM 0 HE2 HIS A 12 10.531 6.256 4.106 1.00 0.00 H new ATOM 193 N ASP A 13 9.423 1.707 -2.142 1.00 0.00 N ATOM 194 CA ASP A 13 8.906 1.427 -3.476 1.00 0.00 C ATOM 195 C ASP A 13 7.974 0.220 -3.459 1.00 0.00 C ATOM 196 O ASP A 13 6.918 0.236 -4.090 1.00 0.00 O ATOM 197 CB ASP A 13 10.056 1.185 -4.455 1.00 0.00 C ATOM 198 CG ASP A 13 9.567 0.894 -5.861 1.00 0.00 C ATOM 199 OD1 ASP A 13 9.464 -0.299 -6.218 1.00 0.00 O ATOM 200 OD2 ASP A 13 9.286 1.858 -6.604 1.00 0.00 O ATOM 0 H ASP A 13 10.430 1.579 -2.043 1.00 0.00 H new ATOM 0 HA ASP A 13 8.337 2.297 -3.805 1.00 0.00 H new ATOM 0 HB2 ASP A 13 10.705 2.061 -4.473 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.659 0.348 -4.103 1.00 0.00 H new ATOM 205 N LEU A 14 8.370 -0.828 -2.739 1.00 0.00 N ATOM 206 CA LEU A 14 7.554 -2.033 -2.643 1.00 0.00 C ATOM 207 C LEU A 14 6.341 -1.789 -1.756 1.00 0.00 C ATOM 208 O LEU A 14 5.292 -2.397 -1.945 1.00 0.00 O ATOM 209 CB LEU A 14 8.378 -3.218 -2.123 1.00 0.00 C ATOM 210 CG LEU A 14 8.643 -3.247 -0.619 1.00 0.00 C ATOM 211 CD1 LEU A 14 7.517 -3.967 0.103 1.00 0.00 C ATOM 212 CD2 LEU A 14 9.976 -3.922 -0.332 1.00 0.00 C ATOM 0 H LEU A 14 9.246 -0.866 -2.217 1.00 0.00 H new ATOM 0 HA LEU A 14 7.203 -2.283 -3.644 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.865 -4.139 -2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 14 9.338 -3.221 -2.640 1.00 0.00 H new ATOM 0 HG LEU A 14 8.687 -2.221 -0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 14 7.721 -3.979 1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.576 -3.448 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 14 7.445 -4.991 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 14 10.153 -3.936 0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 14 9.955 -4.944 -0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 14 10.777 -3.370 -0.824 1.00 0.00 H new ATOM 224 N ALA A 15 6.499 -0.896 -0.785 1.00 0.00 N ATOM 225 CA ALA A 15 5.423 -0.568 0.141 1.00 0.00 C ATOM 226 C ALA A 15 4.308 0.213 -0.548 1.00 0.00 C ATOM 227 O ALA A 15 3.138 0.055 -0.209 1.00 0.00 O ATOM 228 CB ALA A 15 5.963 0.219 1.324 1.00 0.00 C ATOM 0 H ALA A 15 7.366 -0.385 -0.619 1.00 0.00 H new ATOM 0 HA ALA A 15 5.000 -1.506 0.501 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.147 0.456 2.006 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.711 -0.377 1.847 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.419 1.143 0.969 1.00 0.00 H new ATOM 234 N ALA A 16 4.677 1.061 -1.505 1.00 0.00 N ATOM 235 CA ALA A 16 3.703 1.875 -2.232 1.00 0.00 C ATOM 236 C ALA A 16 2.504 1.044 -2.708 1.00 0.00 C ATOM 237 O ALA A 16 1.362 1.378 -2.393 1.00 0.00 O ATOM 238 CB ALA A 16 4.372 2.592 -3.399 1.00 0.00 C ATOM 0 H ALA A 16 5.644 1.203 -1.796 1.00 0.00 H new ATOM 0 HA ALA A 16 3.317 2.624 -1.541 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.633 3.193 -3.929 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.164 3.240 -3.022 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.798 1.857 -4.081 1.00 0.00 H new ATOM 244 N PRO A 17 2.731 -0.048 -3.471 1.00 0.00 N ATOM 245 CA PRO A 17 1.639 -0.900 -3.957 1.00 0.00 C ATOM 246 C PRO A 17 1.003 -1.719 -2.838 1.00 0.00 C ATOM 247 O PRO A 17 -0.158 -2.119 -2.931 1.00 0.00 O ATOM 248 CB PRO A 17 2.331 -1.821 -4.963 1.00 0.00 C ATOM 249 CG PRO A 17 3.747 -1.881 -4.516 1.00 0.00 C ATOM 250 CD PRO A 17 4.050 -0.533 -3.928 1.00 0.00 C ATOM 0 HA PRO A 17 0.823 -0.316 -4.383 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.876 -2.812 -4.969 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.253 -1.428 -5.977 1.00 0.00 H new ATOM 0 HG2 PRO A 17 3.891 -2.670 -3.778 1.00 0.00 H new ATOM 0 HG3 PRO A 17 4.411 -2.101 -5.352 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.758 -0.606 -3.103 1.00 0.00 H new ATOM 0 HD3 PRO A 17 4.489 0.137 -4.667 1.00 0.00 H new ATOM 258 N VAL A 18 1.772 -1.967 -1.781 1.00 0.00 N ATOM 259 CA VAL A 18 1.286 -2.739 -0.642 1.00 0.00 C ATOM 260 C VAL A 18 0.244 -1.947 0.142 1.00 0.00 C ATOM 261 O VAL A 18 -0.804 -2.474 0.513 1.00 0.00 O ATOM 262 CB VAL A 18 2.443 -3.136 0.298 1.00 0.00 C ATOM 263 CG1 VAL A 18 1.914 -3.831 1.543 1.00 0.00 C ATOM 264 CG2 VAL A 18 3.440 -4.027 -0.431 1.00 0.00 C ATOM 0 H VAL A 18 2.735 -1.644 -1.690 1.00 0.00 H new ATOM 0 HA VAL A 18 0.827 -3.646 -1.035 1.00 0.00 H new ATOM 0 HB VAL A 18 2.957 -2.227 0.610 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.748 -4.102 2.191 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.243 -3.159 2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.372 -4.731 1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.250 -4.298 0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.937 -4.931 -0.774 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.848 -3.491 -1.288 1.00 0.00 H new ATOM 274 N ILE A 19 0.548 -0.679 0.391 1.00 0.00 N ATOM 275 CA ILE A 19 -0.348 0.204 1.126 1.00 0.00 C ATOM 276 C ILE A 19 -1.581 0.542 0.295 1.00 0.00 C ATOM 277 O ILE A 19 -2.706 0.526 0.797 1.00 0.00 O ATOM 278 CB ILE A 19 0.372 1.509 1.522 1.00 0.00 C ATOM 279 CG1 ILE A 19 1.645 1.192 2.311 1.00 0.00 C ATOM 280 CG2 ILE A 19 -0.553 2.404 2.334 1.00 0.00 C ATOM 281 CD1 ILE A 19 2.641 2.330 2.339 1.00 0.00 C ATOM 0 H ILE A 19 1.417 -0.236 0.091 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.659 -0.322 2.029 1.00 0.00 H new ATOM 0 HB ILE A 19 0.651 2.043 0.613 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.373 0.934 3.334 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.122 0.314 1.876 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.028 3.320 2.604 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.433 2.652 1.740 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.862 1.882 3.240 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.517 2.033 2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.943 2.575 1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 19 2.182 3.204 2.801 1.00 0.00 H new ATOM 293 N ALA A 20 -1.358 0.849 -0.978 1.00 0.00 N ATOM 294 CA ALA A 20 -2.442 1.191 -1.891 1.00 0.00 C ATOM 295 C ALA A 20 -3.417 0.029 -2.040 1.00 0.00 C ATOM 296 O ALA A 20 -4.622 0.233 -2.192 1.00 0.00 O ATOM 297 CB ALA A 20 -1.876 1.591 -3.245 1.00 0.00 C ATOM 0 H ALA A 20 -0.431 0.868 -1.403 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.990 2.036 -1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -2.693 1.845 -3.920 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.223 2.455 -3.125 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -1.306 0.760 -3.661 1.00 0.00 H new ATOM 303 N GLY A 21 -2.888 -1.190 -1.995 1.00 0.00 N ATOM 304 CA GLY A 21 -3.725 -2.368 -2.121 1.00 0.00 C ATOM 305 C GLY A 21 -4.692 -2.512 -0.963 1.00 0.00 C ATOM 306 O GLY A 21 -5.873 -2.797 -1.163 1.00 0.00 O ATOM 0 H GLY A 21 -1.894 -1.382 -1.873 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.285 -2.315 -3.055 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.094 -3.255 -2.177 1.00 0.00 H new ATOM 310 N ILE A 22 -4.188 -2.315 0.253 1.00 0.00 N ATOM 311 CA ILE A 22 -5.015 -2.419 1.449 1.00 0.00 C ATOM 312 C ILE A 22 -6.082 -1.331 1.462 1.00 0.00 C ATOM 313 O ILE A 22 -7.224 -1.569 1.854 1.00 0.00 O ATOM 314 CB ILE A 22 -4.169 -2.305 2.733 1.00 0.00 C ATOM 315 CG1 ILE A 22 -2.999 -3.292 2.692 1.00 0.00 C ATOM 316 CG2 ILE A 22 -5.035 -2.553 3.960 1.00 0.00 C ATOM 317 CD1 ILE A 22 -1.983 -3.072 3.793 1.00 0.00 C ATOM 0 H ILE A 22 -3.211 -2.083 0.434 1.00 0.00 H new ATOM 0 HA ILE A 22 -5.490 -3.400 1.425 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.764 -1.295 2.794 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.388 -4.307 2.766 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.500 -3.211 1.726 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -4.425 -2.469 4.859 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.836 -1.815 3.995 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.465 -3.553 3.905 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -1.183 -3.807 3.702 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -1.566 -2.069 3.708 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.468 -3.182 4.763 1.00 0.00 H new ATOM 329 N LEU A 23 -5.697 -0.135 1.028 1.00 0.00 N ATOM 330 CA LEU A 23 -6.614 0.995 0.983 1.00 0.00 C ATOM 331 C LEU A 23 -7.770 0.711 0.031 1.00 0.00 C ATOM 332 O LEU A 23 -8.908 1.105 0.283 1.00 0.00 O ATOM 333 CB LEU A 23 -5.870 2.262 0.550 1.00 0.00 C ATOM 334 CG LEU A 23 -6.760 3.453 0.188 1.00 0.00 C ATOM 335 CD1 LEU A 23 -7.638 3.848 1.368 1.00 0.00 C ATOM 336 CD2 LEU A 23 -5.914 4.632 -0.265 1.00 0.00 C ATOM 0 H LEU A 23 -4.754 0.075 0.702 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.021 1.149 1.982 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.199 2.562 1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.247 2.021 -0.311 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.409 3.157 -0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.263 4.697 1.089 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -8.272 3.007 1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.008 4.124 2.214 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.564 5.470 -0.518 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.239 4.926 0.539 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.332 4.347 -1.141 1.00 0.00 H new ATOM 348 N ALA A 24 -7.466 0.022 -1.063 1.00 0.00 N ATOM 349 CA ALA A 24 -8.474 -0.323 -2.056 1.00 0.00 C ATOM 350 C ALA A 24 -9.539 -1.237 -1.459 1.00 0.00 C ATOM 351 O ALA A 24 -10.729 -1.076 -1.725 1.00 0.00 O ATOM 352 CB ALA A 24 -7.818 -0.985 -3.257 1.00 0.00 C ATOM 0 H ALA A 24 -6.527 -0.309 -1.284 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.963 0.595 -2.382 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.580 -1.239 -3.994 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.097 -0.299 -3.702 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -7.305 -1.892 -2.937 1.00 0.00 H new ATOM 358 N SER A 25 -9.101 -2.194 -0.647 1.00 0.00 N ATOM 359 CA SER A 25 -10.014 -3.138 -0.012 1.00 0.00 C ATOM 360 C SER A 25 -10.985 -2.421 0.918 1.00 0.00 C ATOM 361 O SER A 25 -12.152 -2.799 1.022 1.00 0.00 O ATOM 362 CB SER A 25 -9.227 -4.193 0.768 1.00 0.00 C ATOM 363 OG SER A 25 -10.097 -5.111 1.406 1.00 0.00 O ATOM 0 H SER A 25 -8.118 -2.336 -0.413 1.00 0.00 H new ATOM 0 HA SER A 25 -10.590 -3.628 -0.797 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.561 -4.729 0.091 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.599 -3.705 1.513 1.00 0.00 H new ATOM 0 HG SER A 25 -9.569 -5.775 1.896 1.00 0.00 H new ATOM 369 N MET A 26 -10.498 -1.384 1.594 1.00 0.00 N ATOM 370 CA MET A 26 -11.328 -0.617 2.516 1.00 0.00 C ATOM 371 C MET A 26 -12.392 0.176 1.763 1.00 0.00 C ATOM 372 O MET A 26 -13.533 0.283 2.213 1.00 0.00 O ATOM 373 CB MET A 26 -10.465 0.330 3.352 1.00 0.00 C ATOM 374 CG MET A 26 -9.496 -0.389 4.276 1.00 0.00 C ATOM 375 SD MET A 26 -8.723 0.717 5.473 1.00 0.00 S ATOM 376 CE MET A 26 -7.848 1.841 4.388 1.00 0.00 C ATOM 0 H MET A 26 -9.535 -1.057 1.520 1.00 0.00 H new ATOM 0 HA MET A 26 -11.828 -1.321 3.181 1.00 0.00 H new ATOM 0 HB2 MET A 26 -9.902 0.981 2.683 1.00 0.00 H new ATOM 0 HB3 MET A 26 -11.115 0.971 3.948 1.00 0.00 H new ATOM 0 HG2 MET A 26 -10.026 -1.179 4.808 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.721 -0.870 3.679 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.453 2.674 4.969 1.00 0.00 H new ATOM 0 HE2 MET A 26 -7.025 1.314 3.905 1.00 0.00 H new ATOM 0 HE3 MET A 26 -8.532 2.220 3.629 1.00 0.00 H new ATOM 386 N ILE A 27 -12.010 0.733 0.617 1.00 0.00 N ATOM 387 CA ILE A 27 -12.936 1.510 -0.197 1.00 0.00 C ATOM 388 C ILE A 27 -14.039 0.620 -0.758 1.00 0.00 C ATOM 389 O ILE A 27 -15.212 0.997 -0.763 1.00 0.00 O ATOM 390 CB ILE A 27 -12.212 2.219 -1.360 1.00 0.00 C ATOM 391 CG1 ILE A 27 -11.132 3.157 -0.816 1.00 0.00 C ATOM 392 CG2 ILE A 27 -13.208 2.988 -2.220 1.00 0.00 C ATOM 393 CD1 ILE A 27 -10.305 3.823 -1.894 1.00 0.00 C ATOM 0 H ILE A 27 -11.068 0.660 0.233 1.00 0.00 H new ATOM 0 HA ILE A 27 -13.375 2.267 0.452 1.00 0.00 H new ATOM 0 HB ILE A 27 -11.734 1.465 -1.985 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -11.605 3.927 -0.206 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.470 2.592 -0.159 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -12.679 3.482 -3.035 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -13.944 2.297 -2.631 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -13.714 3.736 -1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -9.561 4.472 -1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -9.802 3.061 -2.490 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.955 4.416 -2.537 1.00 0.00 H new ATOM 405 N VAL A 28 -13.657 -0.562 -1.231 1.00 0.00 N ATOM 406 CA VAL A 28 -14.618 -1.507 -1.786 1.00 0.00 C ATOM 407 C VAL A 28 -15.603 -1.959 -0.716 1.00 0.00 C ATOM 408 O VAL A 28 -16.809 -2.022 -0.956 1.00 0.00 O ATOM 409 CB VAL A 28 -13.918 -2.741 -2.389 1.00 0.00 C ATOM 410 CG1 VAL A 28 -14.945 -3.748 -2.888 1.00 0.00 C ATOM 411 CG2 VAL A 28 -12.982 -2.324 -3.513 1.00 0.00 C ATOM 0 H VAL A 28 -12.690 -0.887 -1.241 1.00 0.00 H new ATOM 0 HA VAL A 28 -15.155 -0.991 -2.582 1.00 0.00 H new ATOM 0 HB VAL A 28 -13.325 -3.218 -1.609 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -14.432 -4.612 -3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -15.573 -4.069 -2.057 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.566 -3.285 -3.655 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -12.496 -3.207 -3.928 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -13.553 -1.823 -4.295 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -12.226 -1.643 -3.123 1.00 0.00 H new ATOM 421 N ASN A 29 -15.080 -2.274 0.466 1.00 0.00 N ATOM 422 CA ASN A 29 -15.914 -2.710 1.578 1.00 0.00 C ATOM 423 C ASN A 29 -16.929 -1.632 1.938 1.00 0.00 C ATOM 424 O ASN A 29 -18.058 -1.931 2.329 1.00 0.00 O ATOM 425 CB ASN A 29 -15.046 -3.046 2.793 1.00 0.00 C ATOM 426 CG ASN A 29 -14.265 -4.332 2.606 1.00 0.00 C ATOM 427 OD1 ASN A 29 -14.701 -5.238 1.896 1.00 0.00 O ATOM 428 ND2 ASN A 29 -13.104 -4.418 3.245 1.00 0.00 N ATOM 0 H ASN A 29 -14.083 -2.235 0.677 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.454 -3.607 1.274 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -14.352 -2.226 2.979 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -15.679 -3.134 3.676 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -12.535 -5.260 3.158 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -12.781 -3.642 3.823 1.00 0.00 H new ATOM 435 N TRP A 30 -16.516 -0.377 1.801 1.00 0.00 N ATOM 436 CA TRP A 30 -17.386 0.754 2.097 1.00 0.00 C ATOM 437 C TRP A 30 -18.543 0.810 1.104 1.00 0.00 C ATOM 438 O TRP A 30 -19.700 0.955 1.490 1.00 0.00 O ATOM 439 CB TRP A 30 -16.583 2.059 2.057 1.00 0.00 C ATOM 440 CG TRP A 30 -17.421 3.279 1.821 1.00 0.00 C ATOM 441 CD1 TRP A 30 -18.418 3.761 2.620 1.00 0.00 C ATOM 442 CD2 TRP A 30 -17.332 4.173 0.706 1.00 0.00 C ATOM 443 NE1 TRP A 30 -18.954 4.900 2.069 1.00 0.00 N ATOM 444 CE2 TRP A 30 -18.304 5.173 0.894 1.00 0.00 C ATOM 445 CE3 TRP A 30 -16.524 4.224 -0.433 1.00 0.00 C ATOM 446 CZ2 TRP A 30 -18.488 6.212 -0.014 1.00 0.00 C ATOM 447 CZ3 TRP A 30 -16.708 5.255 -1.334 1.00 0.00 C ATOM 448 CH2 TRP A 30 -17.683 6.237 -1.120 1.00 0.00 C ATOM 0 H TRP A 30 -15.581 -0.117 1.486 1.00 0.00 H new ATOM 0 HA TRP A 30 -17.798 0.627 3.098 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -16.048 2.174 3.000 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -15.832 1.988 1.270 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -18.738 3.313 3.549 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -19.712 5.452 2.469 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -15.769 3.471 -0.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -19.239 6.971 0.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -16.090 5.304 -2.218 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -17.802 7.031 -1.843 1.00 0.00 H new ATOM 459 N LEU A 31 -18.218 0.703 -0.177 1.00 0.00 N ATOM 460 CA LEU A 31 -19.226 0.736 -1.228 1.00 0.00 C ATOM 461 C LEU A 31 -20.185 -0.447 -1.116 1.00 0.00 C ATOM 462 O LEU A 31 -21.341 -0.361 -1.529 1.00 0.00 O ATOM 463 CB LEU A 31 -18.558 0.743 -2.600 1.00 0.00 C ATOM 464 CG LEU A 31 -18.026 2.103 -3.044 1.00 0.00 C ATOM 465 CD1 LEU A 31 -17.020 1.935 -4.169 1.00 0.00 C ATOM 466 CD2 LEU A 31 -19.170 3.004 -3.481 1.00 0.00 C ATOM 0 H LEU A 31 -17.262 0.592 -0.514 1.00 0.00 H new ATOM 0 HA LEU A 31 -19.805 1.651 -1.108 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -17.733 0.031 -2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -19.276 0.390 -3.340 1.00 0.00 H new ATOM 0 HG LEU A 31 -17.523 2.572 -2.198 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -16.650 2.913 -4.475 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -16.187 1.323 -3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -17.501 1.448 -5.017 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -18.773 3.970 -3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -19.700 2.542 -4.314 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -19.859 3.148 -2.648 1.00 0.00 H new ATOM 478 N ASN A 32 -19.695 -1.549 -0.557 1.00 0.00 N ATOM 479 CA ASN A 32 -20.502 -2.756 -0.404 1.00 0.00 C ATOM 480 C ASN A 32 -21.653 -2.556 0.583 1.00 0.00 C ATOM 481 O ASN A 32 -22.730 -3.127 0.410 1.00 0.00 O ATOM 482 CB ASN A 32 -19.625 -3.924 0.052 1.00 0.00 C ATOM 483 CG ASN A 32 -18.630 -4.349 -1.010 1.00 0.00 C ATOM 484 OD1 ASN A 32 -18.893 -4.231 -2.207 1.00 0.00 O ATOM 485 ND2 ASN A 32 -17.478 -4.850 -0.577 1.00 0.00 N ATOM 0 H ASN A 32 -18.742 -1.632 -0.202 1.00 0.00 H new ATOM 0 HA ASN A 32 -20.936 -2.982 -1.378 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -19.087 -3.640 0.957 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -20.259 -4.771 0.311 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -16.771 -5.154 -1.246 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -17.301 -4.930 0.424 1.00 0.00 H new ATOM 492 N LYS A 33 -21.427 -1.747 1.617 1.00 0.00 N ATOM 493 CA LYS A 33 -22.458 -1.499 2.623 1.00 0.00 C ATOM 494 C LYS A 33 -23.477 -0.473 2.134 1.00 0.00 C ATOM 495 O LYS A 33 -24.600 -0.413 2.638 1.00 0.00 O ATOM 496 CB LYS A 33 -21.828 -1.026 3.938 1.00 0.00 C ATOM 497 CG LYS A 33 -21.298 0.398 3.890 1.00 0.00 C ATOM 498 CD LYS A 33 -22.138 1.337 4.740 1.00 0.00 C ATOM 499 CE LYS A 33 -21.580 2.752 4.722 1.00 0.00 C ATOM 500 NZ LYS A 33 -22.388 3.680 5.560 1.00 0.00 N ATOM 0 H LYS A 33 -20.548 -1.256 1.779 1.00 0.00 H new ATOM 0 HA LYS A 33 -22.979 -2.440 2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -22.570 -1.100 4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -21.011 -1.698 4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -20.266 0.415 4.240 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -21.290 0.749 2.858 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -23.164 1.344 4.371 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -22.171 0.970 5.766 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -20.551 2.741 5.082 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -21.555 3.119 3.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -21.974 4.633 5.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -23.364 3.711 5.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -22.391 3.345 6.545 1.00 0.00 H new ATOM 514 N ARG A 34 -23.084 0.333 1.153 1.00 0.00 N ATOM 515 CA ARG A 34 -23.972 1.352 0.603 1.00 0.00 C ATOM 516 C ARG A 34 -24.490 0.942 -0.772 1.00 0.00 C ATOM 517 O ARG A 34 -25.285 1.656 -1.383 1.00 0.00 O ATOM 518 CB ARG A 34 -23.249 2.699 0.511 1.00 0.00 C ATOM 519 CG ARG A 34 -22.039 2.685 -0.409 1.00 0.00 C ATOM 520 CD ARG A 34 -21.443 4.074 -0.566 1.00 0.00 C ATOM 521 NE ARG A 34 -22.402 5.024 -1.126 1.00 0.00 N ATOM 522 CZ ARG A 34 -22.059 6.048 -1.901 1.00 0.00 C ATOM 523 NH1 ARG A 34 -20.787 6.250 -2.217 1.00 0.00 N ATOM 524 NH2 ARG A 34 -22.989 6.872 -2.365 1.00 0.00 N ATOM 0 H ARG A 34 -22.159 0.301 0.723 1.00 0.00 H new ATOM 0 HA ARG A 34 -24.824 1.453 1.275 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -23.952 3.455 0.160 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -22.931 2.999 1.510 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -21.285 2.007 -0.009 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -22.328 2.299 -1.387 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -21.102 4.434 0.405 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -20.567 4.021 -1.212 1.00 0.00 H new ATOM 0 HE ARG A 34 -23.390 4.894 -0.910 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -20.068 5.618 -1.865 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -20.528 7.037 -2.812 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -23.969 6.720 -2.127 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -22.724 7.657 -2.960 1.00 0.00 H new ATOM 538 N LYS A 35 -24.034 -0.214 -1.250 1.00 0.00 N ATOM 539 CA LYS A 35 -24.447 -0.728 -2.552 1.00 0.00 C ATOM 540 C LYS A 35 -24.175 0.290 -3.657 1.00 0.00 C ATOM 541 O LYS A 35 -23.047 0.292 -4.194 1.00 0.00 O ATOM 542 CB LYS A 35 -25.934 -1.097 -2.537 1.00 0.00 C ATOM 543 CG LYS A 35 -26.244 -2.382 -1.782 1.00 0.00 C ATOM 544 CD LYS A 35 -26.066 -2.213 -0.281 1.00 0.00 C ATOM 545 CE LYS A 35 -26.407 -3.492 0.468 1.00 0.00 C ATOM 546 NZ LYS A 35 -26.232 -3.339 1.939 1.00 0.00 N ATOM 547 OXT LYS A 35 -25.093 1.074 -3.978 1.00 0.00 O ATOM 0 H LYS A 35 -23.376 -0.814 -0.752 1.00 0.00 H new ATOM 0 HA LYS A 35 -23.861 -1.624 -2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -26.497 -0.279 -2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -26.283 -1.198 -3.565 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -27.268 -2.690 -1.994 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -25.591 -3.179 -2.138 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -25.036 -1.927 -0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -26.703 -1.402 0.073 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -27.437 -3.775 0.253 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -25.772 -4.303 0.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -26.475 -4.233 2.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -25.243 -3.094 2.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -26.856 -2.583 2.286 1.00 0.00 H new TER 561 LYS A 35