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 145:sc= -0.0346 (180deg=-0.389) USER MOD Single : A 1 MET N :NH3+ -110:sc= 0.0357 (180deg=0) USER MOD Single : A 2 THR OG1 : rot -150:sc= -0.245 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.359 K(o=-0.36,f=-1.4) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 170:sc= -1.97 (180deg=-2.06!) USER MOD Single : A 29 ASN : amide:sc= -7.68! C(o=-7.7!,f=-15!) USER MOD Single : A 32 ASN : amide:sc= -2.51! K(o=-2.5!,f=-0.19) USER MOD Single : A 33 LYS NZ :NH3+ -162:sc= -0.0609 (180deg=-0.355) USER MOD Single : A 35 LYS NZ :NH3+ 169:sc= -0.0273 (180deg=-0.21) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -27.895 -1.185 2.648 1.00 0.00 N ATOM 2 CA MET A 1 -26.455 -0.891 2.431 1.00 0.00 C ATOM 3 C MET A 1 -26.170 -0.634 0.954 1.00 0.00 C ATOM 4 O MET A 1 -26.860 -1.155 0.078 1.00 0.00 O ATOM 5 CB MET A 1 -25.599 -2.057 2.934 1.00 0.00 C ATOM 6 CG MET A 1 -24.105 -1.854 2.733 1.00 0.00 C ATOM 7 SD MET A 1 -23.518 -0.281 3.392 1.00 0.00 S ATOM 8 CE MET A 1 -24.027 -0.414 5.104 1.00 0.00 C ATOM 0 H1 MET A 1 -28.339 -0.391 3.152 1.00 0.00 H new ATOM 0 H2 MET A 1 -28.364 -1.319 1.730 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.991 -2.052 3.215 1.00 0.00 H new ATOM 0 HA MET A 1 -26.201 0.008 2.992 1.00 0.00 H new ATOM 0 HB2 MET A 1 -25.796 -2.209 3.995 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.905 -2.968 2.420 1.00 0.00 H new ATOM 0 HG2 MET A 1 -23.564 -2.669 3.215 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.876 -1.905 1.669 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.288 0.070 5.742 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.994 0.073 5.235 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.110 -1.466 5.378 1.00 0.00 H new ATOM 20 N THR A 2 -25.148 0.174 0.688 1.00 0.00 N ATOM 21 CA THR A 2 -24.767 0.506 -0.680 1.00 0.00 C ATOM 22 C THR A 2 -23.379 -0.019 -1.015 1.00 0.00 C ATOM 23 O THR A 2 -22.409 0.257 -0.308 1.00 0.00 O ATOM 24 CB THR A 2 -24.796 2.026 -0.918 1.00 0.00 C ATOM 25 OG1 THR A 2 -24.712 2.718 0.334 1.00 0.00 O ATOM 26 CG2 THR A 2 -26.064 2.440 -1.648 1.00 0.00 C ATOM 0 H THR A 2 -24.568 0.612 1.404 1.00 0.00 H new ATOM 0 HA THR A 2 -25.498 0.026 -1.331 1.00 0.00 H new ATOM 0 HB THR A 2 -23.940 2.289 -1.539 1.00 0.00 H new ATOM 0 HG1 THR A 2 -25.185 3.574 0.267 1.00 0.00 H new ATOM 0 HG21 THR A 2 -26.059 3.519 -1.803 1.00 0.00 H new ATOM 0 HG22 THR A 2 -26.110 1.935 -2.613 1.00 0.00 H new ATOM 0 HG23 THR A 2 -26.934 2.163 -1.052 1.00 0.00 H new ATOM 34 N PHE A 3 -23.294 -0.779 -2.100 1.00 0.00 N ATOM 35 CA PHE A 3 -22.030 -1.345 -2.543 1.00 0.00 C ATOM 36 C PHE A 3 -21.050 -0.246 -2.940 1.00 0.00 C ATOM 37 O PHE A 3 -19.842 -0.377 -2.744 1.00 0.00 O ATOM 38 CB PHE A 3 -22.262 -2.289 -3.723 1.00 0.00 C ATOM 39 CG PHE A 3 -21.204 -3.341 -3.856 1.00 0.00 C ATOM 40 CD1 PHE A 3 -20.385 -3.384 -4.971 1.00 0.00 C ATOM 41 CD2 PHE A 3 -21.029 -4.285 -2.860 1.00 0.00 C ATOM 42 CE1 PHE A 3 -19.407 -4.354 -5.090 1.00 0.00 C ATOM 43 CE2 PHE A 3 -20.054 -5.257 -2.972 1.00 0.00 C ATOM 44 CZ PHE A 3 -19.242 -5.292 -4.089 1.00 0.00 C ATOM 0 H PHE A 3 -24.091 -1.017 -2.691 1.00 0.00 H new ATOM 0 HA PHE A 3 -21.599 -1.906 -1.714 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -23.232 -2.772 -3.608 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -22.303 -1.706 -4.643 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -20.511 -2.653 -5.756 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -21.662 -4.262 -1.985 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -18.773 -4.378 -5.964 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -19.927 -5.988 -2.188 1.00 0.00 H new ATOM 0 HZ PHE A 3 -18.479 -6.051 -4.180 1.00 0.00 H new ATOM 54 N ALA A 4 -21.579 0.837 -3.502 1.00 0.00 N ATOM 55 CA ALA A 4 -20.750 1.960 -3.922 1.00 0.00 C ATOM 56 C ALA A 4 -20.163 2.683 -2.716 1.00 0.00 C ATOM 57 O ALA A 4 -18.989 3.054 -2.713 1.00 0.00 O ATOM 58 CB ALA A 4 -21.556 2.924 -4.779 1.00 0.00 C ATOM 0 H ALA A 4 -22.576 0.960 -3.676 1.00 0.00 H new ATOM 0 HA ALA A 4 -19.926 1.570 -4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -20.922 3.757 -5.084 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -21.923 2.404 -5.664 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -22.401 3.303 -4.204 1.00 0.00 H new ATOM 64 N GLU A 5 -20.987 2.878 -1.691 1.00 0.00 N ATOM 65 CA GLU A 5 -20.546 3.552 -0.476 1.00 0.00 C ATOM 66 C GLU A 5 -19.531 2.699 0.276 1.00 0.00 C ATOM 67 O GLU A 5 -18.593 3.221 0.880 1.00 0.00 O ATOM 68 CB GLU A 5 -21.739 3.865 0.429 1.00 0.00 C ATOM 69 CG GLU A 5 -22.711 4.871 -0.167 1.00 0.00 C ATOM 70 CD GLU A 5 -22.065 6.215 -0.440 1.00 0.00 C ATOM 71 OE1 GLU A 5 -21.546 6.408 -1.560 1.00 0.00 O ATOM 72 OE2 GLU A 5 -22.081 7.076 0.465 1.00 0.00 O ATOM 0 H GLU A 5 -21.962 2.579 -1.678 1.00 0.00 H new ATOM 0 HA GLU A 5 -20.069 4.489 -0.764 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -22.274 2.940 0.643 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -21.371 4.248 1.381 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -23.117 4.472 -1.096 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -23.550 5.007 0.515 1.00 0.00 H new ATOM 79 N LEU A 6 -19.723 1.383 0.236 1.00 0.00 N ATOM 80 CA LEU A 6 -18.818 0.460 0.911 1.00 0.00 C ATOM 81 C LEU A 6 -17.631 0.132 0.017 1.00 0.00 C ATOM 82 O LEU A 6 -16.631 -0.416 0.474 1.00 0.00 O ATOM 83 CB LEU A 6 -19.551 -0.830 1.291 1.00 0.00 C ATOM 84 CG LEU A 6 -18.858 -1.682 2.356 1.00 0.00 C ATOM 85 CD1 LEU A 6 -19.878 -2.256 3.326 1.00 0.00 C ATOM 86 CD2 LEU A 6 -18.057 -2.802 1.707 1.00 0.00 C ATOM 0 H LEU A 6 -20.495 0.934 -0.256 1.00 0.00 H new ATOM 0 HA LEU A 6 -18.456 0.941 1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -20.548 -0.571 1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -19.680 -1.434 0.393 1.00 0.00 H new ATOM 0 HG LEU A 6 -18.172 -1.043 2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -19.367 -2.859 4.076 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -20.412 -1.442 3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -20.588 -2.879 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -17.571 -3.397 2.480 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -18.725 -3.438 1.126 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -17.300 -2.374 1.049 1.00 0.00 H new ATOM 98 N GLY A 7 -17.745 0.485 -1.258 1.00 0.00 N ATOM 99 CA GLY A 7 -16.674 0.214 -2.198 1.00 0.00 C ATOM 100 C GLY A 7 -15.441 1.052 -1.936 1.00 0.00 C ATOM 101 O GLY A 7 -14.334 0.526 -1.845 1.00 0.00 O ATOM 0 H GLY A 7 -18.559 0.953 -1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.409 -0.842 -2.146 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.029 0.404 -3.211 1.00 0.00 H new ATOM 105 N MET A 8 -15.631 2.361 -1.813 1.00 0.00 N ATOM 106 CA MET A 8 -14.522 3.274 -1.566 1.00 0.00 C ATOM 107 C MET A 8 -13.940 3.066 -0.172 1.00 0.00 C ATOM 108 O MET A 8 -12.725 3.115 0.014 1.00 0.00 O ATOM 109 CB MET A 8 -14.984 4.723 -1.731 1.00 0.00 C ATOM 110 CG MET A 8 -15.449 5.055 -3.139 1.00 0.00 C ATOM 111 SD MET A 8 -14.121 4.941 -4.354 1.00 0.00 S ATOM 112 CE MET A 8 -15.002 5.347 -5.858 1.00 0.00 C ATOM 0 H MET A 8 -16.543 2.813 -1.880 1.00 0.00 H new ATOM 0 HA MET A 8 -13.741 3.063 -2.296 1.00 0.00 H new ATOM 0 HB2 MET A 8 -15.798 4.918 -1.033 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.165 5.390 -1.461 1.00 0.00 H new ATOM 0 HG2 MET A 8 -16.254 4.376 -3.421 1.00 0.00 H new ATOM 0 HG3 MET A 8 -15.863 6.063 -3.153 1.00 0.00 H new ATOM 0 HE1 MET A 8 -14.313 5.318 -6.702 1.00 0.00 H new ATOM 0 HE2 MET A 8 -15.802 4.624 -6.018 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.428 6.346 -5.771 1.00 0.00 H new ATOM 122 N ALA A 9 -14.810 2.834 0.804 1.00 0.00 N ATOM 123 CA ALA A 9 -14.376 2.619 2.180 1.00 0.00 C ATOM 124 C ALA A 9 -13.574 1.327 2.306 1.00 0.00 C ATOM 125 O ALA A 9 -12.524 1.296 2.948 1.00 0.00 O ATOM 126 CB ALA A 9 -15.576 2.590 3.113 1.00 0.00 C ATOM 0 H ALA A 9 -15.820 2.790 0.669 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.728 3.448 2.465 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -15.237 2.429 4.136 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -16.107 3.540 3.052 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.245 1.781 2.820 1.00 0.00 H new ATOM 132 N PHE A 10 -14.080 0.264 1.691 1.00 0.00 N ATOM 133 CA PHE A 10 -13.420 -1.037 1.730 1.00 0.00 C ATOM 134 C PHE A 10 -12.121 -1.024 0.925 1.00 0.00 C ATOM 135 O PHE A 10 -11.103 -1.549 1.373 1.00 0.00 O ATOM 136 CB PHE A 10 -14.370 -2.118 1.205 1.00 0.00 C ATOM 137 CG PHE A 10 -13.701 -3.418 0.860 1.00 0.00 C ATOM 138 CD1 PHE A 10 -13.903 -3.996 -0.381 1.00 0.00 C ATOM 139 CD2 PHE A 10 -12.874 -4.059 1.769 1.00 0.00 C ATOM 140 CE1 PHE A 10 -13.294 -5.191 -0.712 1.00 0.00 C ATOM 141 CE2 PHE A 10 -12.262 -5.254 1.445 1.00 0.00 C ATOM 142 CZ PHE A 10 -12.471 -5.821 0.202 1.00 0.00 C ATOM 0 H PHE A 10 -14.949 0.278 1.157 1.00 0.00 H new ATOM 0 HA PHE A 10 -13.163 -1.261 2.765 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -15.137 -2.306 1.956 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -14.878 -1.739 0.319 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -14.544 -3.507 -1.099 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -12.706 -3.619 2.741 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -13.461 -5.632 -1.684 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -11.621 -5.745 2.162 1.00 0.00 H new ATOM 0 HZ PHE A 10 -11.992 -6.754 -0.054 1.00 0.00 H new ATOM 152 N TRP A 11 -12.161 -0.427 -0.263 1.00 0.00 N ATOM 153 CA TRP A 11 -10.978 -0.355 -1.114 1.00 0.00 C ATOM 154 C TRP A 11 -9.875 0.469 -0.458 1.00 0.00 C ATOM 155 O TRP A 11 -8.703 0.103 -0.510 1.00 0.00 O ATOM 156 CB TRP A 11 -11.331 0.232 -2.481 1.00 0.00 C ATOM 157 CG TRP A 11 -11.686 -0.809 -3.500 1.00 0.00 C ATOM 158 CD1 TRP A 11 -12.913 -1.028 -4.058 1.00 0.00 C ATOM 159 CD2 TRP A 11 -10.803 -1.777 -4.080 1.00 0.00 C ATOM 160 NE1 TRP A 11 -12.845 -2.068 -4.953 1.00 0.00 N ATOM 161 CE2 TRP A 11 -11.561 -2.544 -4.985 1.00 0.00 C ATOM 162 CE3 TRP A 11 -9.443 -2.067 -3.925 1.00 0.00 C ATOM 163 CZ2 TRP A 11 -11.006 -3.581 -5.730 1.00 0.00 C ATOM 164 CZ3 TRP A 11 -8.894 -3.098 -4.666 1.00 0.00 C ATOM 165 CH2 TRP A 11 -9.674 -3.843 -5.559 1.00 0.00 C ATOM 0 H TRP A 11 -12.994 0.011 -0.656 1.00 0.00 H new ATOM 0 HA TRP A 11 -10.608 -1.371 -1.253 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -12.169 0.920 -2.368 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -10.486 0.816 -2.847 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -13.806 -0.466 -3.829 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -13.624 -2.427 -5.504 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -8.833 -1.497 -3.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -11.606 -4.158 -6.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -7.846 -3.332 -4.554 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -9.215 -4.641 -6.124 1.00 0.00 H new ATOM 176 N HIS A 12 -10.256 1.584 0.155 1.00 0.00 N ATOM 177 CA HIS A 12 -9.295 2.453 0.825 1.00 0.00 C ATOM 178 C HIS A 12 -8.717 1.774 2.062 1.00 0.00 C ATOM 179 O HIS A 12 -7.522 1.880 2.339 1.00 0.00 O ATOM 180 CB HIS A 12 -9.954 3.777 1.215 1.00 0.00 C ATOM 181 CG HIS A 12 -10.173 4.700 0.057 1.00 0.00 C ATOM 182 ND1 HIS A 12 -10.487 4.275 -1.215 1.00 0.00 N ATOM 183 CD2 HIS A 12 -10.116 6.055 -0.005 1.00 0.00 C ATOM 184 CE1 HIS A 12 -10.609 5.359 -1.993 1.00 0.00 C ATOM 185 NE2 HIS A 12 -10.394 6.465 -1.306 1.00 0.00 N ATOM 0 H HIS A 12 -11.222 1.907 0.202 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.480 2.654 0.129 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.913 3.570 1.691 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.332 4.279 1.956 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -9.891 6.711 0.823 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -10.852 5.331 -3.045 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -10.425 7.423 -1.656 1.00 0.00 H new ATOM 193 N ASP A 13 -9.574 1.078 2.802 1.00 0.00 N ATOM 194 CA ASP A 13 -9.152 0.386 4.014 1.00 0.00 C ATOM 195 C ASP A 13 -8.184 -0.748 3.692 1.00 0.00 C ATOM 196 O ASP A 13 -7.184 -0.932 4.385 1.00 0.00 O ATOM 197 CB ASP A 13 -10.369 -0.166 4.758 1.00 0.00 C ATOM 198 CG ASP A 13 -9.989 -0.866 6.048 1.00 0.00 C ATOM 199 OD1 ASP A 13 -9.997 -0.204 7.108 1.00 0.00 O ATOM 200 OD2 ASP A 13 -9.683 -2.076 5.998 1.00 0.00 O ATOM 0 H ASP A 13 -10.565 0.978 2.583 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.637 1.106 4.650 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -11.057 0.650 4.980 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -10.901 -0.864 4.112 1.00 0.00 H new ATOM 205 N LEU A 14 -8.486 -1.511 2.643 1.00 0.00 N ATOM 206 CA LEU A 14 -7.630 -2.620 2.237 1.00 0.00 C ATOM 207 C LEU A 14 -6.356 -2.107 1.577 1.00 0.00 C ATOM 208 O LEU A 14 -5.308 -2.743 1.655 1.00 0.00 O ATOM 209 CB LEU A 14 -8.378 -3.577 1.298 1.00 0.00 C ATOM 210 CG LEU A 14 -8.520 -3.122 -0.154 1.00 0.00 C ATOM 211 CD1 LEU A 14 -7.311 -3.560 -0.966 1.00 0.00 C ATOM 212 CD2 LEU A 14 -9.798 -3.684 -0.757 1.00 0.00 C ATOM 0 H LEU A 14 -9.314 -1.381 2.062 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.352 -3.174 3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.864 -4.538 1.307 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.376 -3.745 1.704 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.574 -2.034 -0.176 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.426 -3.229 -1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.409 -3.119 -0.542 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.230 -4.647 -0.941 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.888 -3.353 -1.792 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.767 -4.773 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.656 -3.329 -0.186 1.00 0.00 H new ATOM 224 N ALA A 15 -6.460 -0.956 0.925 1.00 0.00 N ATOM 225 CA ALA A 15 -5.323 -0.356 0.239 1.00 0.00 C ATOM 226 C ALA A 15 -4.277 0.159 1.223 1.00 0.00 C ATOM 227 O ALA A 15 -3.083 0.110 0.945 1.00 0.00 O ATOM 228 CB ALA A 15 -5.790 0.767 -0.675 1.00 0.00 C ATOM 0 H ALA A 15 -7.324 -0.418 0.857 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.853 -1.133 -0.364 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.930 1.206 -1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.483 0.369 -1.416 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.293 1.532 -0.084 1.00 0.00 H new ATOM 234 N ALA A 16 -4.733 0.660 2.367 1.00 0.00 N ATOM 235 CA ALA A 16 -3.831 1.195 3.385 1.00 0.00 C ATOM 236 C ALA A 16 -2.670 0.236 3.687 1.00 0.00 C ATOM 237 O ALA A 16 -1.507 0.628 3.584 1.00 0.00 O ATOM 238 CB ALA A 16 -4.607 1.543 4.651 1.00 0.00 C ATOM 0 H ALA A 16 -5.722 0.707 2.614 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.388 2.109 2.989 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.922 1.940 5.400 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.365 2.291 4.419 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -5.090 0.646 5.040 1.00 0.00 H new ATOM 244 N PRO A 17 -2.952 -1.031 4.063 1.00 0.00 N ATOM 245 CA PRO A 17 -1.899 -2.012 4.361 1.00 0.00 C ATOM 246 C PRO A 17 -1.175 -2.490 3.106 1.00 0.00 C ATOM 247 O PRO A 17 -0.024 -2.920 3.169 1.00 0.00 O ATOM 248 CB PRO A 17 -2.667 -3.171 4.996 1.00 0.00 C ATOM 249 CG PRO A 17 -4.039 -3.073 4.433 1.00 0.00 C ATOM 250 CD PRO A 17 -4.302 -1.607 4.238 1.00 0.00 C ATOM 0 HA PRO A 17 -1.122 -1.590 4.998 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -2.208 -4.129 4.754 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.679 -3.089 6.083 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.113 -3.612 3.488 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -4.771 -3.514 5.110 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.931 -1.425 3.367 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.814 -1.174 5.097 1.00 0.00 H new ATOM 258 N VAL A 18 -1.859 -2.412 1.969 1.00 0.00 N ATOM 259 CA VAL A 18 -1.286 -2.842 0.700 1.00 0.00 C ATOM 260 C VAL A 18 -0.182 -1.892 0.246 1.00 0.00 C ATOM 261 O VAL A 18 0.902 -2.322 -0.145 1.00 0.00 O ATOM 262 CB VAL A 18 -2.367 -2.931 -0.398 1.00 0.00 C ATOM 263 CG1 VAL A 18 -1.737 -3.150 -1.765 1.00 0.00 C ATOM 264 CG2 VAL A 18 -3.357 -4.043 -0.082 1.00 0.00 C ATOM 0 H VAL A 18 -2.812 -2.054 1.901 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.860 -3.833 0.859 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.905 -1.983 -0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.520 -3.209 -2.521 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.071 -2.318 -1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.168 -4.080 -1.759 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.112 -4.092 -0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.829 -4.995 -0.027 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.840 -3.840 0.874 1.00 0.00 H new ATOM 274 N ILE A 19 -0.471 -0.598 0.304 1.00 0.00 N ATOM 275 CA ILE A 19 0.482 0.426 -0.102 1.00 0.00 C ATOM 276 C ILE A 19 1.644 0.522 0.879 1.00 0.00 C ATOM 277 O ILE A 19 2.792 0.705 0.478 1.00 0.00 O ATOM 278 CB ILE A 19 -0.201 1.802 -0.206 1.00 0.00 C ATOM 279 CG1 ILE A 19 -1.400 1.728 -1.153 1.00 0.00 C ATOM 280 CG2 ILE A 19 0.791 2.854 -0.679 1.00 0.00 C ATOM 281 CD1 ILE A 19 -2.397 2.846 -0.949 1.00 0.00 C ATOM 0 H ILE A 19 -1.365 -0.231 0.631 1.00 0.00 H new ATOM 0 HA ILE A 19 0.866 0.136 -1.080 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.559 2.089 0.783 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.042 1.754 -2.182 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.904 0.772 -1.014 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.292 3.820 -0.747 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.616 2.921 0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.177 2.575 -1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.221 2.732 -1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.783 2.808 0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.907 3.805 -1.116 1.00 0.00 H new ATOM 293 N ALA A 20 1.336 0.400 2.165 1.00 0.00 N ATOM 294 CA ALA A 20 2.352 0.478 3.208 1.00 0.00 C ATOM 295 C ALA A 20 3.350 -0.671 3.100 1.00 0.00 C ATOM 296 O ALA A 20 4.559 -0.463 3.200 1.00 0.00 O ATOM 297 CB ALA A 20 1.693 0.487 4.580 1.00 0.00 C ATOM 0 H ALA A 20 0.389 0.246 2.511 1.00 0.00 H new ATOM 0 HA ALA A 20 2.904 1.408 3.074 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.460 0.545 5.352 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.031 1.349 4.660 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.115 -0.427 4.712 1.00 0.00 H new ATOM 303 N GLY A 21 2.837 -1.881 2.895 1.00 0.00 N ATOM 304 CA GLY A 21 3.700 -3.044 2.781 1.00 0.00 C ATOM 305 C GLY A 21 4.620 -2.972 1.578 1.00 0.00 C ATOM 306 O GLY A 21 5.815 -3.249 1.685 1.00 0.00 O ATOM 0 H GLY A 21 1.840 -2.077 2.806 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.299 -3.137 3.687 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.086 -3.942 2.711 1.00 0.00 H new ATOM 310 N ILE A 22 4.064 -2.599 0.430 1.00 0.00 N ATOM 311 CA ILE A 22 4.843 -2.488 -0.798 1.00 0.00 C ATOM 312 C ILE A 22 5.832 -1.332 -0.708 1.00 0.00 C ATOM 313 O ILE A 22 6.949 -1.415 -1.222 1.00 0.00 O ATOM 314 CB ILE A 22 3.935 -2.294 -2.028 1.00 0.00 C ATOM 315 CG1 ILE A 22 2.942 -3.454 -2.135 1.00 0.00 C ATOM 316 CG2 ILE A 22 4.773 -2.187 -3.296 1.00 0.00 C ATOM 317 CD1 ILE A 22 1.885 -3.257 -3.200 1.00 0.00 C ATOM 0 H ILE A 22 3.076 -2.368 0.324 1.00 0.00 H new ATOM 0 HA ILE A 22 5.391 -3.422 -0.917 1.00 0.00 H new ATOM 0 HB ILE A 22 3.376 -1.366 -1.909 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.491 -4.372 -2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.452 -3.591 -1.171 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.117 -2.050 -4.155 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.448 -1.335 -3.215 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.355 -3.099 -3.426 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.219 -4.120 -3.216 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.309 -2.358 -2.979 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.364 -3.151 -4.173 1.00 0.00 H new ATOM 329 N LEU A 23 5.413 -0.255 -0.053 1.00 0.00 N ATOM 330 CA LEU A 23 6.261 0.918 0.113 1.00 0.00 C ATOM 331 C LEU A 23 7.520 0.557 0.890 1.00 0.00 C ATOM 332 O LEU A 23 8.608 1.054 0.601 1.00 0.00 O ATOM 333 CB LEU A 23 5.494 2.028 0.837 1.00 0.00 C ATOM 334 CG LEU A 23 6.336 3.230 1.269 1.00 0.00 C ATOM 335 CD1 LEU A 23 6.987 3.892 0.064 1.00 0.00 C ATOM 336 CD2 LEU A 23 5.481 4.231 2.032 1.00 0.00 C ATOM 0 H LEU A 23 4.490 -0.171 0.372 1.00 0.00 H new ATOM 0 HA LEU A 23 6.552 1.278 -0.874 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.695 2.381 0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.019 1.602 1.721 1.00 0.00 H new ATOM 0 HG LEU A 23 7.126 2.875 1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.581 4.744 0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.633 3.174 -0.441 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.215 4.233 -0.625 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.095 5.080 2.332 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.669 4.578 1.393 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.065 3.753 2.919 1.00 0.00 H new ATOM 348 N ALA A 24 7.358 -0.313 1.881 1.00 0.00 N ATOM 349 CA ALA A 24 8.474 -0.755 2.704 1.00 0.00 C ATOM 350 C ALA A 24 9.486 -1.537 1.875 1.00 0.00 C ATOM 351 O ALA A 24 10.695 -1.400 2.062 1.00 0.00 O ATOM 352 CB ALA A 24 7.965 -1.602 3.860 1.00 0.00 C ATOM 0 H ALA A 24 6.460 -0.726 2.133 1.00 0.00 H new ATOM 0 HA ALA A 24 8.976 0.125 3.105 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.807 -1.928 4.470 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.282 -1.012 4.470 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.441 -2.474 3.469 1.00 0.00 H new ATOM 358 N SER A 25 8.982 -2.356 0.957 1.00 0.00 N ATOM 359 CA SER A 25 9.839 -3.162 0.095 1.00 0.00 C ATOM 360 C SER A 25 10.727 -2.276 -0.772 1.00 0.00 C ATOM 361 O SER A 25 11.873 -2.624 -1.057 1.00 0.00 O ATOM 362 CB SER A 25 8.993 -4.077 -0.791 1.00 0.00 C ATOM 363 OG SER A 25 8.231 -4.982 -0.012 1.00 0.00 O ATOM 0 H SER A 25 7.983 -2.479 0.791 1.00 0.00 H new ATOM 0 HA SER A 25 10.478 -3.774 0.732 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.327 -3.475 -1.409 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.641 -4.633 -1.469 1.00 0.00 H new ATOM 0 HG SER A 25 7.698 -5.554 -0.603 1.00 0.00 H new ATOM 369 N MET A 26 10.192 -1.134 -1.192 1.00 0.00 N ATOM 370 CA MET A 26 10.944 -0.204 -2.026 1.00 0.00 C ATOM 371 C MET A 26 12.065 0.453 -1.230 1.00 0.00 C ATOM 372 O MET A 26 13.176 0.621 -1.731 1.00 0.00 O ATOM 373 CB MET A 26 10.020 0.862 -2.618 1.00 0.00 C ATOM 374 CG MET A 26 8.925 0.291 -3.505 1.00 0.00 C ATOM 375 SD MET A 26 8.091 1.556 -4.486 1.00 0.00 S ATOM 376 CE MET A 26 7.438 2.615 -3.198 1.00 0.00 C ATOM 0 H MET A 26 9.244 -0.831 -0.969 1.00 0.00 H new ATOM 0 HA MET A 26 11.388 -0.771 -2.844 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.561 1.426 -1.806 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.616 1.567 -3.198 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.356 -0.455 -4.173 1.00 0.00 H new ATOM 0 HG3 MET A 26 8.192 -0.223 -2.884 1.00 0.00 H new ATOM 0 HE1 MET A 26 7.051 3.532 -3.642 1.00 0.00 H new ATOM 0 HE2 MET A 26 6.634 2.098 -2.675 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.231 2.860 -2.492 1.00 0.00 H new ATOM 386 N ILE A 27 11.771 0.831 0.010 1.00 0.00 N ATOM 387 CA ILE A 27 12.775 1.453 0.862 1.00 0.00 C ATOM 388 C ILE A 27 13.922 0.483 1.111 1.00 0.00 C ATOM 389 O ILE A 27 15.091 0.865 1.081 1.00 0.00 O ATOM 390 CB ILE A 27 12.184 1.907 2.213 1.00 0.00 C ATOM 391 CG1 ILE A 27 11.096 2.961 1.984 1.00 0.00 C ATOM 392 CG2 ILE A 27 13.282 2.452 3.119 1.00 0.00 C ATOM 393 CD1 ILE A 27 10.443 3.454 3.258 1.00 0.00 C ATOM 0 H ILE A 27 10.854 0.718 0.443 1.00 0.00 H new ATOM 0 HA ILE A 27 13.142 2.337 0.341 1.00 0.00 H new ATOM 0 HB ILE A 27 11.733 1.046 2.707 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.532 3.811 1.458 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.329 2.542 1.333 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.848 2.768 4.068 1.00 0.00 H new ATOM 0 HG22 ILE A 27 14.024 1.674 3.300 1.00 0.00 H new ATOM 0 HG23 ILE A 27 13.761 3.305 2.638 1.00 0.00 H new ATOM 0 HD11 ILE A 27 9.684 4.197 3.014 1.00 0.00 H new ATOM 0 HD12 ILE A 27 9.976 2.616 3.776 1.00 0.00 H new ATOM 0 HD13 ILE A 27 11.198 3.904 3.903 1.00 0.00 H new ATOM 405 N VAL A 28 13.577 -0.778 1.351 1.00 0.00 N ATOM 406 CA VAL A 28 14.579 -1.806 1.594 1.00 0.00 C ATOM 407 C VAL A 28 15.409 -2.065 0.341 1.00 0.00 C ATOM 408 O VAL A 28 16.631 -2.191 0.415 1.00 0.00 O ATOM 409 CB VAL A 28 13.937 -3.129 2.056 1.00 0.00 C ATOM 410 CG1 VAL A 28 14.998 -4.205 2.243 1.00 0.00 C ATOM 411 CG2 VAL A 28 13.152 -2.920 3.342 1.00 0.00 C ATOM 0 H VAL A 28 12.613 -1.111 1.382 1.00 0.00 H new ATOM 0 HA VAL A 28 15.226 -1.434 2.389 1.00 0.00 H new ATOM 0 HB VAL A 28 13.246 -3.463 1.282 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.524 -5.131 2.569 1.00 0.00 H new ATOM 0 HG12 VAL A 28 15.514 -4.375 1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 28 15.717 -3.881 2.996 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.706 -3.864 3.653 1.00 0.00 H new ATOM 0 HG22 VAL A 28 13.822 -2.560 4.123 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.365 -2.185 3.173 1.00 0.00 H new ATOM 421 N ASN A 29 14.743 -2.142 -0.811 1.00 0.00 N ATOM 422 CA ASN A 29 15.438 -2.387 -2.069 1.00 0.00 C ATOM 423 C ASN A 29 16.422 -1.258 -2.357 1.00 0.00 C ATOM 424 O ASN A 29 17.440 -1.457 -3.021 1.00 0.00 O ATOM 425 CB ASN A 29 14.434 -2.570 -3.226 1.00 0.00 C ATOM 426 CG ASN A 29 13.873 -1.274 -3.796 1.00 0.00 C ATOM 427 OD1 ASN A 29 14.510 -0.224 -3.767 1.00 0.00 O ATOM 428 ND2 ASN A 29 12.668 -1.356 -4.348 1.00 0.00 N ATOM 0 H ASN A 29 13.732 -2.039 -0.897 1.00 0.00 H new ATOM 0 HA ASN A 29 16.004 -3.314 -1.980 1.00 0.00 H new ATOM 0 HB2 ASN A 29 14.923 -3.122 -4.029 1.00 0.00 H new ATOM 0 HB3 ASN A 29 13.605 -3.185 -2.875 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.242 -0.529 -4.767 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.169 -2.246 -4.353 1.00 0.00 H new ATOM 435 N TRP A 30 16.106 -0.070 -1.847 1.00 0.00 N ATOM 436 CA TRP A 30 16.955 1.099 -2.029 1.00 0.00 C ATOM 437 C TRP A 30 18.237 0.969 -1.211 1.00 0.00 C ATOM 438 O TRP A 30 19.337 1.153 -1.733 1.00 0.00 O ATOM 439 CB TRP A 30 16.186 2.364 -1.638 1.00 0.00 C ATOM 440 CG TRP A 30 17.058 3.546 -1.336 1.00 0.00 C ATOM 441 CD1 TRP A 30 17.946 4.155 -2.175 1.00 0.00 C ATOM 442 CD2 TRP A 30 17.115 4.263 -0.101 1.00 0.00 C ATOM 443 NE1 TRP A 30 18.550 5.211 -1.534 1.00 0.00 N ATOM 444 CE2 TRP A 30 18.056 5.296 -0.258 1.00 0.00 C ATOM 445 CE3 TRP A 30 16.458 4.130 1.123 1.00 0.00 C ATOM 446 CZ2 TRP A 30 18.355 6.192 0.766 1.00 0.00 C ATOM 447 CZ3 TRP A 30 16.755 5.015 2.139 1.00 0.00 C ATOM 448 CH2 TRP A 30 17.696 6.037 1.956 1.00 0.00 C ATOM 0 H TRP A 30 15.262 0.106 -1.302 1.00 0.00 H new ATOM 0 HA TRP A 30 17.236 1.170 -3.080 1.00 0.00 H new ATOM 0 HB2 TRP A 30 15.505 2.627 -2.448 1.00 0.00 H new ATOM 0 HB3 TRP A 30 15.572 2.147 -0.764 1.00 0.00 H new ATOM 0 HD1 TRP A 30 18.145 3.852 -3.192 1.00 0.00 H new ATOM 0 HE1 TRP A 30 19.251 5.830 -1.941 1.00 0.00 H new ATOM 0 HE3 TRP A 30 15.729 3.347 1.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 19.080 6.980 0.626 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 16.254 4.918 3.091 1.00 0.00 H new ATOM 0 HH2 TRP A 30 17.906 6.716 2.770 1.00 0.00 H new ATOM 459 N LEU A 31 18.091 0.655 0.075 1.00 0.00 N ATOM 460 CA LEU A 31 19.242 0.492 0.954 1.00 0.00 C ATOM 461 C LEU A 31 20.111 -0.677 0.504 1.00 0.00 C ATOM 462 O LEU A 31 21.319 -0.689 0.741 1.00 0.00 O ATOM 463 CB LEU A 31 18.795 0.279 2.406 1.00 0.00 C ATOM 464 CG LEU A 31 18.496 1.541 3.231 1.00 0.00 C ATOM 465 CD1 LEU A 31 19.198 2.772 2.674 1.00 0.00 C ATOM 466 CD2 LEU A 31 16.997 1.768 3.328 1.00 0.00 C ATOM 0 H LEU A 31 17.189 0.509 0.528 1.00 0.00 H new ATOM 0 HA LEU A 31 19.831 1.407 0.898 1.00 0.00 H new ATOM 0 HB2 LEU A 31 17.899 -0.342 2.398 1.00 0.00 H new ATOM 0 HB3 LEU A 31 19.571 -0.288 2.921 1.00 0.00 H new ATOM 0 HG LEU A 31 18.892 1.377 4.233 1.00 0.00 H new ATOM 0 HD11 LEU A 31 18.957 3.638 3.290 1.00 0.00 H new ATOM 0 HD12 LEU A 31 20.276 2.611 2.681 1.00 0.00 H new ATOM 0 HD13 LEU A 31 18.865 2.949 1.652 1.00 0.00 H new ATOM 0 HD21 LEU A 31 16.802 2.665 3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 31 16.582 1.892 2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 31 16.530 0.910 3.811 1.00 0.00 H new ATOM 478 N ASN A 32 19.491 -1.658 -0.144 1.00 0.00 N ATOM 479 CA ASN A 32 20.220 -2.824 -0.627 1.00 0.00 C ATOM 480 C ASN A 32 21.208 -2.414 -1.711 1.00 0.00 C ATOM 481 O ASN A 32 22.092 -3.184 -2.089 1.00 0.00 O ATOM 482 CB ASN A 32 19.251 -3.880 -1.163 1.00 0.00 C ATOM 483 CG ASN A 32 18.578 -4.670 -0.055 1.00 0.00 C ATOM 484 OD1 ASN A 32 18.209 -5.829 -0.242 1.00 0.00 O ATOM 485 ND2 ASN A 32 18.414 -4.048 1.108 1.00 0.00 N ATOM 0 H ASN A 32 18.491 -1.669 -0.346 1.00 0.00 H new ATOM 0 HA ASN A 32 20.773 -3.257 0.207 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.489 -3.393 -1.772 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.791 -4.565 -1.816 1.00 0.00 H new ATOM 0 HD21 ASN A 32 17.968 -4.532 1.887 1.00 0.00 H new ATOM 0 HD22 ASN A 32 18.734 -3.086 1.222 1.00 0.00 H new ATOM 492 N LYS A 33 21.046 -1.192 -2.207 1.00 0.00 N ATOM 493 CA LYS A 33 21.928 -0.655 -3.232 1.00 0.00 C ATOM 494 C LYS A 33 23.076 0.103 -2.575 1.00 0.00 C ATOM 495 O LYS A 33 24.163 0.226 -3.141 1.00 0.00 O ATOM 496 CB LYS A 33 21.145 0.265 -4.177 1.00 0.00 C ATOM 497 CG LYS A 33 21.988 0.881 -5.283 1.00 0.00 C ATOM 498 CD LYS A 33 22.528 2.246 -4.883 1.00 0.00 C ATOM 499 CE LYS A 33 23.486 2.794 -5.926 1.00 0.00 C ATOM 500 NZ LYS A 33 24.681 1.923 -6.096 1.00 0.00 N ATOM 0 H LYS A 33 20.307 -0.553 -1.913 1.00 0.00 H new ATOM 0 HA LYS A 33 22.339 -1.477 -3.818 1.00 0.00 H new ATOM 0 HB2 LYS A 33 20.331 -0.303 -4.628 1.00 0.00 H new ATOM 0 HB3 LYS A 33 20.690 1.065 -3.593 1.00 0.00 H new ATOM 0 HG2 LYS A 33 22.818 0.216 -5.521 1.00 0.00 H new ATOM 0 HG3 LYS A 33 21.388 0.978 -6.188 1.00 0.00 H new ATOM 0 HD2 LYS A 33 21.699 2.941 -4.748 1.00 0.00 H new ATOM 0 HD3 LYS A 33 23.039 2.169 -3.923 1.00 0.00 H new ATOM 0 HE2 LYS A 33 22.968 2.889 -6.880 1.00 0.00 H new ATOM 0 HE3 LYS A 33 23.805 3.795 -5.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 25.437 2.459 -6.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 25.013 1.604 -5.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 24.429 1.097 -6.675 1.00 0.00 H new ATOM 514 N ARG A 34 22.821 0.606 -1.368 1.00 0.00 N ATOM 515 CA ARG A 34 23.826 1.345 -0.614 1.00 0.00 C ATOM 516 C ARG A 34 24.180 0.615 0.680 1.00 0.00 C ATOM 517 O ARG A 34 23.742 0.997 1.765 1.00 0.00 O ATOM 518 CB ARG A 34 23.334 2.765 -0.309 1.00 0.00 C ATOM 519 CG ARG A 34 21.954 2.826 0.335 1.00 0.00 C ATOM 520 CD ARG A 34 21.475 4.263 0.469 1.00 0.00 C ATOM 521 NE ARG A 34 22.420 5.083 1.223 1.00 0.00 N ATOM 522 CZ ARG A 34 22.385 6.412 1.254 1.00 0.00 C ATOM 523 NH1 ARG A 34 21.446 7.071 0.589 1.00 0.00 N ATOM 524 NH2 ARG A 34 23.290 7.084 1.954 1.00 0.00 N ATOM 0 H ARG A 34 21.923 0.513 -0.892 1.00 0.00 H new ATOM 0 HA ARG A 34 24.726 1.413 -1.225 1.00 0.00 H new ATOM 0 HB2 ARG A 34 24.052 3.252 0.351 1.00 0.00 H new ATOM 0 HB3 ARG A 34 23.315 3.337 -1.236 1.00 0.00 H new ATOM 0 HG2 ARG A 34 21.244 2.257 -0.265 1.00 0.00 H new ATOM 0 HG3 ARG A 34 21.987 2.357 1.319 1.00 0.00 H new ATOM 0 HD2 ARG A 34 21.332 4.692 -0.523 1.00 0.00 H new ATOM 0 HD3 ARG A 34 20.505 4.278 0.965 1.00 0.00 H new ATOM 0 HE ARG A 34 23.149 4.609 1.756 1.00 0.00 H new ATOM 0 HH11 ARG A 34 20.747 6.559 0.051 1.00 0.00 H new ATOM 0 HH12 ARG A 34 21.423 8.090 0.615 1.00 0.00 H new ATOM 0 HH21 ARG A 34 24.013 6.581 2.469 1.00 0.00 H new ATOM 0 HH22 ARG A 34 23.263 8.103 1.977 1.00 0.00 H new ATOM 538 N LYS A 35 24.974 -0.445 0.554 1.00 0.00 N ATOM 539 CA LYS A 35 25.387 -1.230 1.712 1.00 0.00 C ATOM 540 C LYS A 35 26.684 -0.684 2.308 1.00 0.00 C ATOM 541 O LYS A 35 26.639 0.406 2.916 1.00 0.00 O ATOM 542 CB LYS A 35 25.555 -2.707 1.330 1.00 0.00 C ATOM 543 CG LYS A 35 26.449 -2.938 0.120 1.00 0.00 C ATOM 544 CD LYS A 35 25.660 -2.905 -1.179 1.00 0.00 C ATOM 545 CE LYS A 35 26.582 -2.967 -2.386 1.00 0.00 C ATOM 546 NZ LYS A 35 27.477 -4.156 -2.340 1.00 0.00 N ATOM 547 OXT LYS A 35 27.732 -1.351 2.171 1.00 0.00 O ATOM 0 H LYS A 35 25.343 -0.779 -0.336 1.00 0.00 H new ATOM 0 HA LYS A 35 24.605 -1.153 2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 35 25.968 -3.247 2.182 1.00 0.00 H new ATOM 0 HB3 LYS A 35 24.572 -3.133 1.129 1.00 0.00 H new ATOM 0 HG2 LYS A 35 27.227 -2.175 0.092 1.00 0.00 H new ATOM 0 HG3 LYS A 35 26.950 -3.901 0.217 1.00 0.00 H new ATOM 0 HD2 LYS A 35 24.965 -3.744 -1.206 1.00 0.00 H new ATOM 0 HD3 LYS A 35 25.063 -1.994 -1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 35 25.985 -2.997 -3.298 1.00 0.00 H new ATOM 0 HE3 LYS A 35 27.185 -2.060 -2.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 27.954 -4.267 -3.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 28.189 -4.026 -1.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 26.914 -5.007 -2.138 1.00 0.00 H new TER 561 LYS A 35