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 -162:sc= -0.0932 (180deg=-0.523) USER MOD Single : A 1 MET N :NH3+ -100:sc= 0.0381 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -160:sc= 0.0108 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.329 K(o=-0.33,f=-1.5) USER MOD Single : A 25 SER OG : rot 66:sc= 0.0198 USER MOD Single : A 26 MET CE :methyl 169:sc= -1.98 (180deg=-2.08!) USER MOD Single : A 29 ASN : amide:sc= 0.73 K(o=0.73,f=-0.073) USER MOD Single : A 32 ASN : amide:sc= -0.622 K(o=-0.62,f=-2.9!) USER MOD Single : A 33 LYS NZ :NH3+ -166:sc= -0.0524 (180deg=-0.315) USER MOD Single : A 35 LYS NZ :NH3+ 162:sc= -0.0446 (180deg=-0.338) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -28.026 -1.460 2.225 1.00 0.00 N ATOM 2 CA MET A 1 -26.724 -0.750 2.126 1.00 0.00 C ATOM 3 C MET A 1 -26.239 -0.708 0.681 1.00 0.00 C ATOM 4 O MET A 1 -26.550 -1.595 -0.114 1.00 0.00 O ATOM 5 CB MET A 1 -25.680 -1.444 3.003 1.00 0.00 C ATOM 6 CG MET A 1 -24.401 -0.641 3.180 1.00 0.00 C ATOM 7 SD MET A 1 -23.133 -1.545 4.089 1.00 0.00 S ATOM 8 CE MET A 1 -23.974 -1.856 5.640 1.00 0.00 C ATOM 0 H1 MET A 1 -28.797 -0.765 2.284 1.00 0.00 H new ATOM 0 H2 MET A 1 -28.161 -2.056 1.384 1.00 0.00 H new ATOM 0 H3 MET A 1 -28.032 -2.057 3.077 1.00 0.00 H new ATOM 0 HA MET A 1 -26.865 0.273 2.474 1.00 0.00 H new ATOM 0 HB2 MET A 1 -26.114 -1.640 3.983 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.434 -2.411 2.564 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.012 -0.364 2.200 1.00 0.00 H new ATOM 0 HG3 MET A 1 -24.629 0.286 3.706 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.242 -2.111 6.406 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.520 -0.963 5.943 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.673 -2.683 5.516 1.00 0.00 H new ATOM 20 N THR A 2 -25.478 0.329 0.349 1.00 0.00 N ATOM 21 CA THR A 2 -24.950 0.489 -0.999 1.00 0.00 C ATOM 22 C THR A 2 -23.548 -0.095 -1.119 1.00 0.00 C ATOM 23 O THR A 2 -22.650 0.259 -0.355 1.00 0.00 O ATOM 24 CB THR A 2 -24.908 1.971 -1.411 1.00 0.00 C ATOM 25 OG1 THR A 2 -25.277 2.798 -0.301 1.00 0.00 O ATOM 26 CG2 THR A 2 -25.845 2.233 -2.579 1.00 0.00 C ATOM 0 H THR A 2 -25.213 1.072 0.996 1.00 0.00 H new ATOM 0 HA THR A 2 -25.623 -0.051 -1.665 1.00 0.00 H new ATOM 0 HB THR A 2 -23.891 2.212 -1.720 1.00 0.00 H new ATOM 0 HG1 THR A 2 -25.556 3.679 -0.628 1.00 0.00 H new ATOM 0 HG21 THR A 2 -25.799 3.287 -2.853 1.00 0.00 H new ATOM 0 HG22 THR A 2 -25.544 1.623 -3.431 1.00 0.00 H new ATOM 0 HG23 THR A 2 -26.865 1.977 -2.292 1.00 0.00 H new ATOM 34 N PHE A 3 -23.368 -0.993 -2.082 1.00 0.00 N ATOM 35 CA PHE A 3 -22.074 -1.624 -2.306 1.00 0.00 C ATOM 36 C PHE A 3 -21.040 -0.588 -2.732 1.00 0.00 C ATOM 37 O PHE A 3 -19.861 -0.699 -2.396 1.00 0.00 O ATOM 38 CB PHE A 3 -22.191 -2.717 -3.370 1.00 0.00 C ATOM 39 CG PHE A 3 -21.199 -3.830 -3.188 1.00 0.00 C ATOM 40 CD1 PHE A 3 -21.259 -4.646 -2.071 1.00 0.00 C ATOM 41 CD2 PHE A 3 -20.211 -4.061 -4.131 1.00 0.00 C ATOM 42 CE1 PHE A 3 -20.350 -5.670 -1.894 1.00 0.00 C ATOM 43 CE2 PHE A 3 -19.299 -5.085 -3.960 1.00 0.00 C ATOM 44 CZ PHE A 3 -19.369 -5.891 -2.841 1.00 0.00 C ATOM 0 H PHE A 3 -24.103 -1.300 -2.720 1.00 0.00 H new ATOM 0 HA PHE A 3 -21.748 -2.078 -1.370 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -23.199 -3.131 -3.347 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -22.051 -2.272 -4.355 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -22.026 -4.479 -1.329 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -20.153 -3.434 -5.009 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -20.406 -6.297 -1.017 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -18.532 -5.255 -4.701 1.00 0.00 H new ATOM 0 HZ PHE A 3 -18.658 -6.693 -2.706 1.00 0.00 H new ATOM 54 N ALA A 4 -21.492 0.419 -3.474 1.00 0.00 N ATOM 55 CA ALA A 4 -20.609 1.479 -3.942 1.00 0.00 C ATOM 56 C ALA A 4 -20.112 2.320 -2.773 1.00 0.00 C ATOM 57 O ALA A 4 -18.940 2.695 -2.718 1.00 0.00 O ATOM 58 CB ALA A 4 -21.324 2.352 -4.963 1.00 0.00 C ATOM 0 H ALA A 4 -22.465 0.522 -3.763 1.00 0.00 H new ATOM 0 HA ALA A 4 -19.745 1.020 -4.423 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -20.651 3.139 -5.303 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -21.628 1.742 -5.814 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -22.205 2.801 -4.505 1.00 0.00 H new ATOM 64 N GLU A 5 -21.013 2.614 -1.839 1.00 0.00 N ATOM 65 CA GLU A 5 -20.662 3.401 -0.664 1.00 0.00 C ATOM 66 C GLU A 5 -19.640 2.655 0.184 1.00 0.00 C ATOM 67 O GLU A 5 -18.755 3.262 0.787 1.00 0.00 O ATOM 68 CB GLU A 5 -21.910 3.711 0.167 1.00 0.00 C ATOM 69 CG GLU A 5 -22.880 4.658 -0.521 1.00 0.00 C ATOM 70 CD GLU A 5 -22.263 6.009 -0.822 1.00 0.00 C ATOM 71 OE1 GLU A 5 -22.295 6.888 0.065 1.00 0.00 O ATOM 72 OE2 GLU A 5 -21.746 6.189 -1.944 1.00 0.00 O ATOM 0 H GLU A 5 -21.989 2.319 -1.874 1.00 0.00 H new ATOM 0 HA GLU A 5 -20.224 4.342 -0.997 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -22.426 2.778 0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -21.604 4.146 1.118 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -23.226 4.206 -1.451 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -23.757 4.796 0.111 1.00 0.00 H new ATOM 79 N LEU A 6 -19.768 1.332 0.222 1.00 0.00 N ATOM 80 CA LEU A 6 -18.849 0.500 0.987 1.00 0.00 C ATOM 81 C LEU A 6 -17.630 0.155 0.142 1.00 0.00 C ATOM 82 O LEU A 6 -16.621 -0.324 0.656 1.00 0.00 O ATOM 83 CB LEU A 6 -19.544 -0.783 1.451 1.00 0.00 C ATOM 84 CG LEU A 6 -18.798 -1.572 2.531 1.00 0.00 C ATOM 85 CD1 LEU A 6 -19.768 -2.079 3.587 1.00 0.00 C ATOM 86 CD2 LEU A 6 -18.033 -2.734 1.913 1.00 0.00 C ATOM 0 H LEU A 6 -20.498 0.815 -0.268 1.00 0.00 H new ATOM 0 HA LEU A 6 -18.527 1.058 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -20.533 -0.525 1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -19.692 -1.431 0.587 1.00 0.00 H new ATOM 0 HG LEU A 6 -18.083 -0.904 3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -19.220 -2.637 4.346 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -20.273 -1.233 4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -20.506 -2.731 3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -17.509 -3.282 2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -18.731 -3.401 1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -17.310 -2.351 1.193 1.00 0.00 H new ATOM 98 N GLY A 7 -17.731 0.413 -1.158 1.00 0.00 N ATOM 99 CA GLY A 7 -16.633 0.123 -2.060 1.00 0.00 C ATOM 100 C GLY A 7 -15.433 1.016 -1.822 1.00 0.00 C ATOM 101 O GLY A 7 -14.303 0.539 -1.766 1.00 0.00 O ATOM 0 H GLY A 7 -18.555 0.818 -1.603 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.335 -0.919 -1.941 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.972 0.242 -3.089 1.00 0.00 H new ATOM 105 N MET A 8 -15.679 2.314 -1.679 1.00 0.00 N ATOM 106 CA MET A 8 -14.606 3.277 -1.453 1.00 0.00 C ATOM 107 C MET A 8 -13.967 3.084 -0.081 1.00 0.00 C ATOM 108 O MET A 8 -12.744 3.052 0.041 1.00 0.00 O ATOM 109 CB MET A 8 -15.141 4.706 -1.581 1.00 0.00 C ATOM 110 CG MET A 8 -15.611 5.059 -2.984 1.00 0.00 C ATOM 111 SD MET A 8 -14.267 5.073 -4.185 1.00 0.00 S ATOM 112 CE MET A 8 -15.124 5.651 -5.647 1.00 0.00 C ATOM 0 H MET A 8 -16.612 2.724 -1.716 1.00 0.00 H new ATOM 0 HA MET A 8 -13.842 3.108 -2.212 1.00 0.00 H new ATOM 0 HB2 MET A 8 -15.970 4.838 -0.886 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.360 5.405 -1.282 1.00 0.00 H new ATOM 0 HG2 MET A 8 -16.368 4.341 -3.300 1.00 0.00 H new ATOM 0 HG3 MET A 8 -16.088 6.039 -2.967 1.00 0.00 H new ATOM 0 HE1 MET A 8 -14.423 5.713 -6.479 1.00 0.00 H new ATOM 0 HE2 MET A 8 -15.925 4.956 -5.898 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.547 6.637 -5.455 1.00 0.00 H new ATOM 122 N ALA A 9 -14.797 2.958 0.948 1.00 0.00 N ATOM 123 CA ALA A 9 -14.305 2.774 2.309 1.00 0.00 C ATOM 124 C ALA A 9 -13.496 1.486 2.438 1.00 0.00 C ATOM 125 O ALA A 9 -12.423 1.474 3.042 1.00 0.00 O ATOM 126 CB ALA A 9 -15.467 2.769 3.291 1.00 0.00 C ATOM 0 H ALA A 9 -15.813 2.980 0.866 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.644 3.608 2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -15.087 2.631 4.303 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -15.999 3.718 3.229 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.148 1.954 3.045 1.00 0.00 H new ATOM 132 N PHE A 10 -14.018 0.408 1.866 1.00 0.00 N ATOM 133 CA PHE A 10 -13.353 -0.890 1.917 1.00 0.00 C ATOM 134 C PHE A 10 -12.075 -0.892 1.081 1.00 0.00 C ATOM 135 O PHE A 10 -11.049 -1.419 1.509 1.00 0.00 O ATOM 136 CB PHE A 10 -14.314 -1.983 1.438 1.00 0.00 C ATOM 137 CG PHE A 10 -13.657 -3.297 1.117 1.00 0.00 C ATOM 138 CD1 PHE A 10 -13.892 -3.913 -0.101 1.00 0.00 C ATOM 139 CD2 PHE A 10 -12.813 -3.915 2.026 1.00 0.00 C ATOM 140 CE1 PHE A 10 -13.296 -5.121 -0.409 1.00 0.00 C ATOM 141 CE2 PHE A 10 -12.214 -5.124 1.724 1.00 0.00 C ATOM 142 CZ PHE A 10 -12.456 -5.728 0.505 1.00 0.00 C ATOM 0 H PHE A 10 -14.903 0.406 1.359 1.00 0.00 H new ATOM 0 HA PHE A 10 -13.069 -1.092 2.950 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -15.069 -2.147 2.207 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -14.836 -1.626 0.550 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -14.549 -3.444 -0.818 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -12.621 -3.447 2.980 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -13.486 -5.590 -1.363 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -11.558 -5.596 2.440 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.990 -6.673 0.267 1.00 0.00 H new ATOM 152 N TRP A 11 -12.139 -0.305 -0.110 1.00 0.00 N ATOM 153 CA TRP A 11 -10.975 -0.248 -0.987 1.00 0.00 C ATOM 154 C TRP A 11 -9.867 0.598 -0.372 1.00 0.00 C ATOM 155 O TRP A 11 -8.691 0.246 -0.450 1.00 0.00 O ATOM 156 CB TRP A 11 -11.356 0.305 -2.361 1.00 0.00 C ATOM 157 CG TRP A 11 -11.640 -0.766 -3.369 1.00 0.00 C ATOM 158 CD1 TRP A 11 -12.843 -1.055 -3.945 1.00 0.00 C ATOM 159 CD2 TRP A 11 -10.699 -1.696 -3.916 1.00 0.00 C ATOM 160 NE1 TRP A 11 -12.707 -2.103 -4.822 1.00 0.00 N ATOM 161 CE2 TRP A 11 -11.400 -2.515 -4.821 1.00 0.00 C ATOM 162 CE3 TRP A 11 -9.331 -1.914 -3.731 1.00 0.00 C ATOM 163 CZ2 TRP A 11 -10.779 -3.535 -5.538 1.00 0.00 C ATOM 164 CZ3 TRP A 11 -8.716 -2.927 -4.443 1.00 0.00 C ATOM 165 CH2 TRP A 11 -9.440 -3.726 -5.337 1.00 0.00 C ATOM 0 H TRP A 11 -12.978 0.135 -0.488 1.00 0.00 H new ATOM 0 HA TRP A 11 -10.604 -1.265 -1.110 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -12.235 0.941 -2.259 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -10.547 0.936 -2.729 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -13.767 -0.535 -3.741 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -13.456 -2.509 -5.383 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -8.765 -1.302 -3.044 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -11.335 -4.153 -6.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -7.659 -3.105 -4.308 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -8.930 -4.509 -5.879 1.00 0.00 H new ATOM 176 N HIS A 12 -10.249 1.715 0.236 1.00 0.00 N ATOM 177 CA HIS A 12 -9.286 2.609 0.869 1.00 0.00 C ATOM 178 C HIS A 12 -8.661 1.955 2.098 1.00 0.00 C ATOM 179 O HIS A 12 -7.462 2.089 2.341 1.00 0.00 O ATOM 180 CB HIS A 12 -9.959 3.927 1.258 1.00 0.00 C ATOM 181 CG HIS A 12 -10.263 4.811 0.089 1.00 0.00 C ATOM 182 ND1 HIS A 12 -10.565 4.343 -1.171 1.00 0.00 N ATOM 183 CD2 HIS A 12 -10.307 6.166 0.004 1.00 0.00 C ATOM 184 CE1 HIS A 12 -10.776 5.403 -1.964 1.00 0.00 C ATOM 185 NE2 HIS A 12 -10.633 6.532 -1.299 1.00 0.00 N ATOM 0 H HIS A 12 -11.219 2.023 0.304 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.493 2.816 0.150 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.886 3.709 1.789 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.313 4.465 1.952 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.119 6.851 0.818 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.030 5.340 -3.012 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -10.739 7.479 -1.664 1.00 0.00 H new ATOM 193 N ASP A 13 -9.483 1.249 2.870 1.00 0.00 N ATOM 194 CA ASP A 13 -9.011 0.580 4.077 1.00 0.00 C ATOM 195 C ASP A 13 -8.058 -0.562 3.739 1.00 0.00 C ATOM 196 O ASP A 13 -7.030 -0.733 4.392 1.00 0.00 O ATOM 197 CB ASP A 13 -10.195 0.050 4.888 1.00 0.00 C ATOM 198 CG ASP A 13 -9.758 -0.638 6.167 1.00 0.00 C ATOM 199 OD1 ASP A 13 -9.550 0.065 7.179 1.00 0.00 O ATOM 200 OD2 ASP A 13 -9.627 -1.880 6.157 1.00 0.00 O ATOM 0 H ASP A 13 -10.478 1.126 2.681 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.467 1.312 4.674 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -10.863 0.876 5.133 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -10.765 -0.651 4.278 1.00 0.00 H new ATOM 205 N LEU A 14 -8.404 -1.344 2.719 1.00 0.00 N ATOM 206 CA LEU A 14 -7.565 -2.463 2.302 1.00 0.00 C ATOM 207 C LEU A 14 -6.315 -1.968 1.584 1.00 0.00 C ATOM 208 O LEU A 14 -5.268 -2.610 1.633 1.00 0.00 O ATOM 209 CB LEU A 14 -8.351 -3.441 1.417 1.00 0.00 C ATOM 210 CG LEU A 14 -8.540 -3.028 -0.043 1.00 0.00 C ATOM 211 CD1 LEU A 14 -7.339 -3.451 -0.873 1.00 0.00 C ATOM 212 CD2 LEU A 14 -9.815 -3.641 -0.603 1.00 0.00 C ATOM 0 H LEU A 14 -9.255 -1.224 2.169 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.251 -2.998 3.198 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.843 -4.405 1.437 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.335 -3.590 1.861 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.626 -1.942 -0.089 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.489 -3.150 -1.910 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.440 -2.973 -0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.225 -4.534 -0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.938 -3.339 -1.643 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.752 -4.728 -0.546 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.670 -3.296 -0.022 1.00 0.00 H new ATOM 224 N ALA A 15 -6.434 -0.828 0.911 1.00 0.00 N ATOM 225 CA ALA A 15 -5.315 -0.251 0.172 1.00 0.00 C ATOM 226 C ALA A 15 -4.236 0.285 1.107 1.00 0.00 C ATOM 227 O ALA A 15 -3.050 0.216 0.793 1.00 0.00 O ATOM 228 CB ALA A 15 -5.802 0.851 -0.758 1.00 0.00 C ATOM 0 H ALA A 15 -7.295 -0.284 0.862 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.871 -1.048 -0.424 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.955 1.270 -1.301 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.519 0.438 -1.467 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.282 1.636 -0.173 1.00 0.00 H new ATOM 234 N ALA A 16 -4.652 0.824 2.249 1.00 0.00 N ATOM 235 CA ALA A 16 -3.714 1.385 3.220 1.00 0.00 C ATOM 236 C ALA A 16 -2.536 0.437 3.489 1.00 0.00 C ATOM 237 O ALA A 16 -1.380 0.836 3.345 1.00 0.00 O ATOM 238 CB ALA A 16 -4.440 1.745 4.512 1.00 0.00 C ATOM 0 H ALA A 16 -5.632 0.885 2.526 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.296 2.297 2.793 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.729 2.161 5.225 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.215 2.481 4.301 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.896 0.850 4.935 1.00 0.00 H new ATOM 244 N PRO A 17 -2.800 -0.829 3.883 1.00 0.00 N ATOM 245 CA PRO A 17 -1.735 -1.805 4.151 1.00 0.00 C ATOM 246 C PRO A 17 -1.064 -2.309 2.874 1.00 0.00 C ATOM 247 O PRO A 17 0.088 -2.743 2.898 1.00 0.00 O ATOM 248 CB PRO A 17 -2.476 -2.949 4.844 1.00 0.00 C ATOM 249 CG PRO A 17 -3.871 -2.864 4.336 1.00 0.00 C ATOM 250 CD PRO A 17 -4.141 -1.403 4.118 1.00 0.00 C ATOM 0 HA PRO A 17 -0.928 -1.372 4.742 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.027 -3.913 4.605 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.443 -2.842 5.928 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -3.984 -3.425 3.408 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -4.574 -3.289 5.052 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.801 -1.241 3.266 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.623 -0.951 4.985 1.00 0.00 H new ATOM 258 N VAL A 18 -1.792 -2.250 1.763 1.00 0.00 N ATOM 259 CA VAL A 18 -1.270 -2.708 0.478 1.00 0.00 C ATOM 260 C VAL A 18 -0.181 -1.774 -0.043 1.00 0.00 C ATOM 261 O VAL A 18 0.890 -2.221 -0.455 1.00 0.00 O ATOM 262 CB VAL A 18 -2.398 -2.816 -0.572 1.00 0.00 C ATOM 263 CG1 VAL A 18 -1.831 -3.090 -1.958 1.00 0.00 C ATOM 264 CG2 VAL A 18 -3.391 -3.900 -0.177 1.00 0.00 C ATOM 0 H VAL A 18 -2.745 -1.890 1.726 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.838 -3.695 0.641 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.921 -1.860 -0.605 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.647 -3.161 -2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.164 -2.277 -2.245 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.276 -4.028 -1.945 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.179 -3.963 -0.928 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.876 -4.858 -0.111 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.830 -3.656 0.790 1.00 0.00 H new ATOM 274 N ILE A 19 -0.464 -0.478 -0.022 1.00 0.00 N ATOM 275 CA ILE A 19 0.479 0.526 -0.494 1.00 0.00 C ATOM 276 C ILE A 19 1.672 0.652 0.446 1.00 0.00 C ATOM 277 O ILE A 19 2.813 0.782 0.002 1.00 0.00 O ATOM 278 CB ILE A 19 -0.202 1.900 -0.632 1.00 0.00 C ATOM 279 CG1 ILE A 19 -1.473 1.774 -1.473 1.00 0.00 C ATOM 280 CG2 ILE A 19 0.755 2.908 -1.254 1.00 0.00 C ATOM 281 CD1 ILE A 19 -2.455 2.905 -1.261 1.00 0.00 C ATOM 0 H ILE A 19 -1.346 -0.096 0.320 1.00 0.00 H new ATOM 0 HA ILE A 19 0.832 0.198 -1.472 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.476 2.257 0.361 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.199 1.735 -2.527 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.963 0.830 -1.236 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.258 3.874 -1.344 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.636 3.011 -0.621 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.057 2.561 -2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.331 2.749 -1.890 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.759 2.931 -0.215 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.983 3.851 -1.526 1.00 0.00 H new ATOM 293 N ALA A 20 1.401 0.615 1.747 1.00 0.00 N ATOM 294 CA ALA A 20 2.453 0.727 2.750 1.00 0.00 C ATOM 295 C ALA A 20 3.410 -0.458 2.682 1.00 0.00 C ATOM 296 O ALA A 20 4.611 -0.312 2.911 1.00 0.00 O ATOM 297 CB ALA A 20 1.846 0.840 4.140 1.00 0.00 C ATOM 0 H ALA A 20 0.462 0.508 2.131 1.00 0.00 H new ATOM 0 HA ALA A 20 3.025 1.631 2.540 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.643 0.923 4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.212 1.725 4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.248 -0.047 4.349 1.00 0.00 H new ATOM 303 N GLY A 21 2.871 -1.633 2.367 1.00 0.00 N ATOM 304 CA GLY A 21 3.695 -2.825 2.277 1.00 0.00 C ATOM 305 C GLY A 21 4.651 -2.782 1.102 1.00 0.00 C ATOM 306 O GLY A 21 5.832 -3.103 1.241 1.00 0.00 O ATOM 0 H GLY A 21 1.881 -1.780 2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.264 -2.940 3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.053 -3.701 2.187 1.00 0.00 H new ATOM 310 N ILE A 22 4.141 -2.385 -0.059 1.00 0.00 N ATOM 311 CA ILE A 22 4.956 -2.299 -1.264 1.00 0.00 C ATOM 312 C ILE A 22 5.985 -1.177 -1.154 1.00 0.00 C ATOM 313 O ILE A 22 7.123 -1.322 -1.601 1.00 0.00 O ATOM 314 CB ILE A 22 4.084 -2.071 -2.515 1.00 0.00 C ATOM 315 CG1 ILE A 22 3.048 -3.191 -2.646 1.00 0.00 C ATOM 316 CG2 ILE A 22 4.955 -1.992 -3.762 1.00 0.00 C ATOM 317 CD1 ILE A 22 2.016 -2.944 -3.726 1.00 0.00 C ATOM 0 H ILE A 22 3.166 -2.117 -0.190 1.00 0.00 H new ATOM 0 HA ILE A 22 5.477 -3.251 -1.365 1.00 0.00 H new ATOM 0 HB ILE A 22 3.556 -1.123 -2.409 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.564 -4.128 -2.857 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.538 -3.316 -1.691 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.325 -1.831 -4.637 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.657 -1.164 -3.663 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.507 -2.924 -3.880 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.317 -3.780 -3.759 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.473 -2.025 -3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.514 -2.850 -4.691 1.00 0.00 H new ATOM 329 N LEU A 23 5.579 -0.062 -0.554 1.00 0.00 N ATOM 330 CA LEU A 23 6.467 1.083 -0.389 1.00 0.00 C ATOM 331 C LEU A 23 7.655 0.717 0.492 1.00 0.00 C ATOM 332 O LEU A 23 8.778 1.159 0.252 1.00 0.00 O ATOM 333 CB LEU A 23 5.707 2.269 0.214 1.00 0.00 C ATOM 334 CG LEU A 23 6.581 3.441 0.673 1.00 0.00 C ATOM 335 CD1 LEU A 23 7.417 3.976 -0.481 1.00 0.00 C ATOM 336 CD2 LEU A 23 5.720 4.547 1.265 1.00 0.00 C ATOM 0 H LEU A 23 4.642 0.073 -0.175 1.00 0.00 H new ATOM 0 HA LEU A 23 6.839 1.371 -1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.994 2.636 -0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.128 1.913 1.066 1.00 0.00 H new ATOM 0 HG LEU A 23 7.259 3.079 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.029 4.807 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.063 3.184 -0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.758 4.320 -1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.357 5.371 1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.017 4.903 0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.169 4.160 2.122 1.00 0.00 H new ATOM 348 N ALA A 24 7.398 -0.091 1.514 1.00 0.00 N ATOM 349 CA ALA A 24 8.447 -0.524 2.425 1.00 0.00 C ATOM 350 C ALA A 24 9.489 -1.359 1.691 1.00 0.00 C ATOM 351 O ALA A 24 10.680 -1.278 1.986 1.00 0.00 O ATOM 352 CB ALA A 24 7.848 -1.314 3.579 1.00 0.00 C ATOM 0 H ALA A 24 6.472 -0.459 1.731 1.00 0.00 H new ATOM 0 HA ALA A 24 8.942 0.360 2.826 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.643 -1.632 4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.141 -0.686 4.122 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.330 -2.190 3.190 1.00 0.00 H new ATOM 358 N SER A 25 9.032 -2.157 0.731 1.00 0.00 N ATOM 359 CA SER A 25 9.929 -3.002 -0.047 1.00 0.00 C ATOM 360 C SER A 25 10.923 -2.154 -0.830 1.00 0.00 C ATOM 361 O SER A 25 12.124 -2.416 -0.810 1.00 0.00 O ATOM 362 CB SER A 25 9.131 -3.887 -1.007 1.00 0.00 C ATOM 363 OG SER A 25 8.250 -4.743 -0.300 1.00 0.00 O ATOM 0 H SER A 25 8.048 -2.236 0.474 1.00 0.00 H new ATOM 0 HA SER A 25 10.481 -3.638 0.645 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.561 -3.262 -1.694 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.815 -4.483 -1.611 1.00 0.00 H new ATOM 0 HG SER A 25 7.565 -4.207 0.151 1.00 0.00 H new ATOM 369 N MET A 26 10.415 -1.128 -1.510 1.00 0.00 N ATOM 370 CA MET A 26 11.261 -0.242 -2.302 1.00 0.00 C ATOM 371 C MET A 26 12.333 0.409 -1.433 1.00 0.00 C ATOM 372 O MET A 26 13.482 0.551 -1.853 1.00 0.00 O ATOM 373 CB MET A 26 10.416 0.835 -2.987 1.00 0.00 C ATOM 374 CG MET A 26 9.346 0.273 -3.909 1.00 0.00 C ATOM 375 SD MET A 26 8.574 1.540 -4.935 1.00 0.00 S ATOM 376 CE MET A 26 7.905 2.633 -3.684 1.00 0.00 C ATOM 0 H MET A 26 9.423 -0.891 -1.528 1.00 0.00 H new ATOM 0 HA MET A 26 11.754 -0.843 -3.066 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.940 1.451 -2.224 1.00 0.00 H new ATOM 0 HB3 MET A 26 11.072 1.489 -3.561 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.789 -0.488 -4.551 1.00 0.00 H new ATOM 0 HG3 MET A 26 8.580 -0.221 -3.311 1.00 0.00 H new ATOM 0 HE1 MET A 26 7.570 3.559 -4.151 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.061 2.149 -3.192 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.676 2.857 -2.947 1.00 0.00 H new ATOM 386 N ILE A 27 11.952 0.805 -0.221 1.00 0.00 N ATOM 387 CA ILE A 27 12.889 1.433 0.702 1.00 0.00 C ATOM 388 C ILE A 27 14.004 0.464 1.080 1.00 0.00 C ATOM 389 O ILE A 27 15.179 0.831 1.092 1.00 0.00 O ATOM 390 CB ILE A 27 12.186 1.921 1.986 1.00 0.00 C ATOM 391 CG1 ILE A 27 11.111 2.955 1.642 1.00 0.00 C ATOM 392 CG2 ILE A 27 13.203 2.505 2.958 1.00 0.00 C ATOM 393 CD1 ILE A 27 10.322 3.436 2.842 1.00 0.00 C ATOM 0 H ILE A 27 11.004 0.702 0.142 1.00 0.00 H new ATOM 0 HA ILE A 27 13.312 2.296 0.188 1.00 0.00 H new ATOM 0 HB ILE A 27 11.703 1.070 2.466 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.584 3.812 1.162 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.423 2.523 0.916 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.692 2.845 3.859 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.934 1.741 3.222 1.00 0.00 H new ATOM 0 HG23 ILE A 27 13.712 3.348 2.490 1.00 0.00 H new ATOM 0 HD11 ILE A 27 9.580 4.166 2.520 1.00 0.00 H new ATOM 0 HD12 ILE A 27 9.819 2.590 3.310 1.00 0.00 H new ATOM 0 HD13 ILE A 27 10.999 3.899 3.561 1.00 0.00 H new ATOM 405 N VAL A 28 13.628 -0.773 1.389 1.00 0.00 N ATOM 406 CA VAL A 28 14.602 -1.793 1.761 1.00 0.00 C ATOM 407 C VAL A 28 15.561 -2.088 0.610 1.00 0.00 C ATOM 408 O VAL A 28 16.772 -2.163 0.808 1.00 0.00 O ATOM 409 CB VAL A 28 13.915 -3.103 2.200 1.00 0.00 C ATOM 410 CG1 VAL A 28 14.949 -4.172 2.520 1.00 0.00 C ATOM 411 CG2 VAL A 28 13.015 -2.854 3.400 1.00 0.00 C ATOM 0 H VAL A 28 12.659 -1.093 1.389 1.00 0.00 H new ATOM 0 HA VAL A 28 15.166 -1.394 2.604 1.00 0.00 H new ATOM 0 HB VAL A 28 13.300 -3.461 1.375 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.443 -5.087 2.827 1.00 0.00 H new ATOM 0 HG12 VAL A 28 15.553 -4.371 1.635 1.00 0.00 H new ATOM 0 HG13 VAL A 28 15.593 -3.825 3.328 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.538 -3.788 3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 28 13.611 -2.471 4.229 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.250 -2.124 3.136 1.00 0.00 H new ATOM 421 N ASN A 29 15.014 -2.249 -0.593 1.00 0.00 N ATOM 422 CA ASN A 29 15.831 -2.538 -1.770 1.00 0.00 C ATOM 423 C ASN A 29 16.837 -1.421 -2.029 1.00 0.00 C ATOM 424 O ASN A 29 17.978 -1.678 -2.413 1.00 0.00 O ATOM 425 CB ASN A 29 14.949 -2.738 -3.005 1.00 0.00 C ATOM 426 CG ASN A 29 14.293 -4.106 -3.035 1.00 0.00 C ATOM 427 OD1 ASN A 29 14.928 -5.103 -3.378 1.00 0.00 O ATOM 428 ND2 ASN A 29 13.012 -4.159 -2.693 1.00 0.00 N ATOM 0 H ASN A 29 14.013 -2.185 -0.778 1.00 0.00 H new ATOM 0 HA ASN A 29 16.379 -3.459 -1.573 1.00 0.00 H new ATOM 0 HB2 ASN A 29 14.178 -1.968 -3.025 1.00 0.00 H new ATOM 0 HB3 ASN A 29 15.552 -2.608 -3.903 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.517 -5.050 -2.708 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.523 -3.308 -2.415 1.00 0.00 H new ATOM 435 N TRP A 30 16.407 -0.182 -1.816 1.00 0.00 N ATOM 436 CA TRP A 30 17.271 0.974 -2.030 1.00 0.00 C ATOM 437 C TRP A 30 18.425 0.991 -1.029 1.00 0.00 C ATOM 438 O TRP A 30 19.585 1.135 -1.409 1.00 0.00 O ATOM 439 CB TRP A 30 16.449 2.266 -1.922 1.00 0.00 C ATOM 440 CG TRP A 30 17.272 3.491 -1.655 1.00 0.00 C ATOM 441 CD1 TRP A 30 18.264 4.004 -2.439 1.00 0.00 C ATOM 442 CD2 TRP A 30 17.167 4.358 -0.520 1.00 0.00 C ATOM 443 NE1 TRP A 30 18.784 5.137 -1.860 1.00 0.00 N ATOM 444 CE2 TRP A 30 18.127 5.375 -0.681 1.00 0.00 C ATOM 445 CE3 TRP A 30 16.354 4.372 0.617 1.00 0.00 C ATOM 446 CZ2 TRP A 30 18.295 6.395 0.252 1.00 0.00 C ATOM 447 CZ3 TRP A 30 16.522 5.384 1.542 1.00 0.00 C ATOM 448 CH2 TRP A 30 17.485 6.383 1.356 1.00 0.00 C ATOM 0 H TRP A 30 15.466 0.048 -1.496 1.00 0.00 H new ATOM 0 HA TRP A 30 17.698 0.905 -3.030 1.00 0.00 H new ATOM 0 HB2 TRP A 30 15.893 2.409 -2.848 1.00 0.00 H new ATOM 0 HB3 TRP A 30 15.715 2.152 -1.124 1.00 0.00 H new ATOM 0 HD1 TRP A 30 18.592 3.582 -3.377 1.00 0.00 H new ATOM 0 HE1 TRP A 30 19.536 5.708 -2.245 1.00 0.00 H new ATOM 0 HE3 TRP A 30 15.608 3.606 0.769 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 19.037 7.167 0.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 15.899 5.405 2.424 1.00 0.00 H new ATOM 0 HH2 TRP A 30 17.591 7.160 2.098 1.00 0.00 H new ATOM 459 N LEU A 31 18.098 0.848 0.249 1.00 0.00 N ATOM 460 CA LEU A 31 19.107 0.845 1.302 1.00 0.00 C ATOM 461 C LEU A 31 20.046 -0.355 1.178 1.00 0.00 C ATOM 462 O LEU A 31 21.218 -0.279 1.548 1.00 0.00 O ATOM 463 CB LEU A 31 18.433 0.851 2.673 1.00 0.00 C ATOM 464 CG LEU A 31 17.894 2.213 3.107 1.00 0.00 C ATOM 465 CD1 LEU A 31 16.835 2.049 4.182 1.00 0.00 C ATOM 466 CD2 LEU A 31 19.027 3.096 3.606 1.00 0.00 C ATOM 0 H LEU A 31 17.141 0.732 0.582 1.00 0.00 H new ATOM 0 HA LEU A 31 19.708 1.748 1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 31 17.611 0.135 2.663 1.00 0.00 H new ATOM 0 HB3 LEU A 31 19.149 0.504 3.418 1.00 0.00 H new ATOM 0 HG LEU A 31 17.435 2.694 2.243 1.00 0.00 H new ATOM 0 HD11 LEU A 31 16.463 3.030 4.479 1.00 0.00 H new ATOM 0 HD12 LEU A 31 16.011 1.451 3.793 1.00 0.00 H new ATOM 0 HD13 LEU A 31 17.270 1.549 5.048 1.00 0.00 H new ATOM 0 HD21 LEU A 31 18.627 4.063 3.912 1.00 0.00 H new ATOM 0 HD22 LEU A 31 19.512 2.619 4.457 1.00 0.00 H new ATOM 0 HD23 LEU A 31 19.755 3.240 2.807 1.00 0.00 H new ATOM 478 N ASN A 32 19.522 -1.460 0.654 1.00 0.00 N ATOM 479 CA ASN A 32 20.303 -2.686 0.496 1.00 0.00 C ATOM 480 C ASN A 32 21.294 -2.600 -0.666 1.00 0.00 C ATOM 481 O ASN A 32 22.225 -3.401 -0.746 1.00 0.00 O ATOM 482 CB ASN A 32 19.372 -3.883 0.290 1.00 0.00 C ATOM 483 CG ASN A 32 18.634 -4.270 1.557 1.00 0.00 C ATOM 484 OD1 ASN A 32 18.410 -3.440 2.439 1.00 0.00 O ATOM 485 ND2 ASN A 32 18.248 -5.537 1.652 1.00 0.00 N ATOM 0 H ASN A 32 18.557 -1.533 0.331 1.00 0.00 H new ATOM 0 HA ASN A 32 20.879 -2.817 1.412 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.648 -3.646 -0.490 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.953 -4.735 -0.062 1.00 0.00 H new ATOM 0 HD21 ASN A 32 17.745 -5.856 2.480 1.00 0.00 H new ATOM 0 HD22 ASN A 32 18.455 -6.191 0.897 1.00 0.00 H new ATOM 492 N LYS A 33 21.099 -1.638 -1.566 1.00 0.00 N ATOM 493 CA LYS A 33 21.990 -1.495 -2.716 1.00 0.00 C ATOM 494 C LYS A 33 23.004 -0.374 -2.502 1.00 0.00 C ATOM 495 O LYS A 33 24.105 -0.412 -3.050 1.00 0.00 O ATOM 496 CB LYS A 33 21.184 -1.244 -3.997 1.00 0.00 C ATOM 497 CG LYS A 33 20.660 0.178 -4.133 1.00 0.00 C ATOM 498 CD LYS A 33 21.541 1.013 -5.049 1.00 0.00 C ATOM 499 CE LYS A 33 21.034 2.442 -5.160 1.00 0.00 C ATOM 500 NZ LYS A 33 19.620 2.498 -5.625 1.00 0.00 N ATOM 0 H LYS A 33 20.343 -0.955 -1.523 1.00 0.00 H new ATOM 0 HA LYS A 33 22.540 -2.430 -2.823 1.00 0.00 H new ATOM 0 HB2 LYS A 33 21.811 -1.473 -4.859 1.00 0.00 H new ATOM 0 HB3 LYS A 33 20.341 -1.935 -4.024 1.00 0.00 H new ATOM 0 HG2 LYS A 33 19.643 0.156 -4.526 1.00 0.00 H new ATOM 0 HG3 LYS A 33 20.612 0.644 -3.149 1.00 0.00 H new ATOM 0 HD2 LYS A 33 22.562 1.017 -4.669 1.00 0.00 H new ATOM 0 HD3 LYS A 33 21.571 0.559 -6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 33 21.116 2.932 -4.190 1.00 0.00 H new ATOM 0 HE3 LYS A 33 21.666 2.998 -5.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 19.388 3.470 -5.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.495 1.857 -6.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 18.989 2.206 -4.852 1.00 0.00 H new ATOM 514 N ARG A 34 22.630 0.621 -1.704 1.00 0.00 N ATOM 515 CA ARG A 34 23.516 1.746 -1.428 1.00 0.00 C ATOM 516 C ARG A 34 24.498 1.405 -0.310 1.00 0.00 C ATOM 517 O ARG A 34 25.098 2.295 0.294 1.00 0.00 O ATOM 518 CB ARG A 34 22.703 2.987 -1.049 1.00 0.00 C ATOM 519 CG ARG A 34 21.890 2.823 0.224 1.00 0.00 C ATOM 520 CD ARG A 34 21.372 4.161 0.728 1.00 0.00 C ATOM 521 NE ARG A 34 22.459 5.069 1.083 1.00 0.00 N ATOM 522 CZ ARG A 34 22.272 6.257 1.650 1.00 0.00 C ATOM 523 NH1 ARG A 34 21.045 6.675 1.930 1.00 0.00 N ATOM 524 NH2 ARG A 34 23.312 7.026 1.943 1.00 0.00 N ATOM 0 H ARG A 34 21.724 0.671 -1.239 1.00 0.00 H new ATOM 0 HA ARG A 34 24.084 1.957 -2.334 1.00 0.00 H new ATOM 0 HB2 ARG A 34 23.382 3.832 -0.929 1.00 0.00 H new ATOM 0 HB3 ARG A 34 22.029 3.233 -1.870 1.00 0.00 H new ATOM 0 HG2 ARG A 34 21.051 2.153 0.038 1.00 0.00 H new ATOM 0 HG3 ARG A 34 22.506 2.356 0.993 1.00 0.00 H new ATOM 0 HD2 ARG A 34 20.751 4.622 -0.040 1.00 0.00 H new ATOM 0 HD3 ARG A 34 20.736 3.999 1.598 1.00 0.00 H new ATOM 0 HE ARG A 34 23.416 4.775 0.885 1.00 0.00 H new ATOM 0 HH11 ARG A 34 20.243 6.085 1.710 1.00 0.00 H new ATOM 0 HH12 ARG A 34 20.904 7.587 2.365 1.00 0.00 H new ATOM 0 HH21 ARG A 34 24.258 6.706 1.733 1.00 0.00 H new ATOM 0 HH22 ARG A 34 23.166 7.937 2.378 1.00 0.00 H new ATOM 538 N LYS A 35 24.660 0.112 -0.043 1.00 0.00 N ATOM 539 CA LYS A 35 25.569 -0.346 1.001 1.00 0.00 C ATOM 540 C LYS A 35 27.016 0.013 0.667 1.00 0.00 C ATOM 541 O LYS A 35 27.628 -0.692 -0.163 1.00 0.00 O ATOM 542 CB LYS A 35 25.427 -1.858 1.205 1.00 0.00 C ATOM 543 CG LYS A 35 25.452 -2.658 -0.087 1.00 0.00 C ATOM 544 CD LYS A 35 25.145 -4.126 0.163 1.00 0.00 C ATOM 545 CE LYS A 35 25.281 -4.947 -1.108 1.00 0.00 C ATOM 546 NZ LYS A 35 26.665 -4.900 -1.656 1.00 0.00 N ATOM 547 OXT LYS A 35 27.527 0.997 1.242 1.00 0.00 O ATOM 0 H LYS A 35 24.173 -0.637 -0.536 1.00 0.00 H new ATOM 0 HA LYS A 35 25.302 0.160 1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 35 26.233 -2.205 1.851 1.00 0.00 H new ATOM 0 HB3 LYS A 35 24.491 -2.058 1.727 1.00 0.00 H new ATOM 0 HG2 LYS A 35 24.724 -2.246 -0.786 1.00 0.00 H new ATOM 0 HG3 LYS A 35 26.432 -2.564 -0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 35 25.821 -4.516 0.924 1.00 0.00 H new ATOM 0 HD3 LYS A 35 24.133 -4.226 0.555 1.00 0.00 H new ATOM 0 HE2 LYS A 35 25.007 -5.982 -0.902 1.00 0.00 H new ATOM 0 HE3 LYS A 35 24.582 -4.575 -1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 26.802 -5.687 -2.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 26.811 -3.998 -2.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 27.350 -4.982 -0.877 1.00 0.00 H new TER 561 LYS A 35