USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=4 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 155:sc= -0.305 (180deg=-1.04) USER MOD Single : A 1 MET N :NH3+ 137:sc= 0.034 (180deg=-0.358) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.00362 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HD1:sc= -0.974 K(o=-0.97,f=-2.7) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 180:sc= -2.6! (180deg=-2.6!) USER MOD Single : A 29 ASN : amide:sc= -0.454 K(o=-0.45,f=-1.3) USER MOD Single : A 32 ASN : amide:sc= -2.12! X(o=-2.1!,f=-1.7) 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 -27.196 -1.279 3.814 1.00 0.00 N ATOM 2 CA MET A 1 -26.243 -0.289 3.249 1.00 0.00 C ATOM 3 C MET A 1 -25.965 -0.579 1.778 1.00 0.00 C ATOM 4 O MET A 1 -26.362 -1.620 1.254 1.00 0.00 O ATOM 5 CB MET A 1 -24.934 -0.309 4.041 1.00 0.00 C ATOM 6 CG MET A 1 -24.241 -1.663 4.040 1.00 0.00 C ATOM 7 SD MET A 1 -22.825 -1.719 5.155 1.00 0.00 S ATOM 8 CE MET A 1 -23.618 -1.408 6.731 1.00 0.00 C ATOM 0 H1 MET A 1 -26.871 -1.575 4.757 1.00 0.00 H new ATOM 0 H2 MET A 1 -28.139 -0.847 3.893 1.00 0.00 H new ATOM 0 H3 MET A 1 -27.246 -2.109 3.189 1.00 0.00 H new ATOM 0 HA MET A 1 -26.694 0.700 3.325 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.256 0.437 3.625 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.138 -0.016 5.071 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.956 -2.433 4.328 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.911 -1.897 3.028 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.013 -1.832 7.533 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.718 -0.333 6.882 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.606 -1.869 6.739 1.00 0.00 H new ATOM 20 N THR A 2 -25.282 0.350 1.116 1.00 0.00 N ATOM 21 CA THR A 2 -24.953 0.197 -0.296 1.00 0.00 C ATOM 22 C THR A 2 -23.537 -0.328 -0.483 1.00 0.00 C ATOM 23 O THR A 2 -22.598 0.144 0.158 1.00 0.00 O ATOM 24 CB THR A 2 -25.091 1.530 -1.052 1.00 0.00 C ATOM 25 OG1 THR A 2 -25.594 2.544 -0.174 1.00 0.00 O ATOM 26 CG2 THR A 2 -26.022 1.379 -2.245 1.00 0.00 C ATOM 0 H THR A 2 -24.946 1.217 1.536 1.00 0.00 H new ATOM 0 HA THR A 2 -25.661 -0.524 -0.704 1.00 0.00 H new ATOM 0 HB THR A 2 -24.105 1.821 -1.413 1.00 0.00 H new ATOM 0 HG1 THR A 2 -25.677 3.389 -0.664 1.00 0.00 H new ATOM 0 HG21 THR A 2 -26.105 2.333 -2.765 1.00 0.00 H new ATOM 0 HG22 THR A 2 -25.622 0.628 -2.926 1.00 0.00 H new ATOM 0 HG23 THR A 2 -27.008 1.067 -1.900 1.00 0.00 H new ATOM 34 N PHE A 3 -23.394 -1.310 -1.365 1.00 0.00 N ATOM 35 CA PHE A 3 -22.096 -1.902 -1.648 1.00 0.00 C ATOM 36 C PHE A 3 -21.156 -0.871 -2.261 1.00 0.00 C ATOM 37 O PHE A 3 -19.947 -0.907 -2.032 1.00 0.00 O ATOM 38 CB PHE A 3 -22.255 -3.095 -2.589 1.00 0.00 C ATOM 39 CG PHE A 3 -21.135 -4.086 -2.484 1.00 0.00 C ATOM 40 CD1 PHE A 3 -20.917 -4.770 -1.301 1.00 0.00 C ATOM 41 CD2 PHE A 3 -20.303 -4.332 -3.562 1.00 0.00 C ATOM 42 CE1 PHE A 3 -19.886 -5.683 -1.193 1.00 0.00 C ATOM 43 CE2 PHE A 3 -19.270 -5.244 -3.462 1.00 0.00 C ATOM 44 CZ PHE A 3 -19.061 -5.921 -2.276 1.00 0.00 C ATOM 0 H PHE A 3 -24.165 -1.713 -1.897 1.00 0.00 H new ATOM 0 HA PHE A 3 -21.663 -2.247 -0.709 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -23.197 -3.598 -2.371 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -22.316 -2.734 -3.616 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -21.560 -4.588 -0.453 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -20.463 -3.806 -4.491 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -19.725 -6.210 -0.264 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -18.627 -5.427 -4.310 1.00 0.00 H new ATOM 0 HZ PHE A 3 -18.255 -6.635 -2.195 1.00 0.00 H new ATOM 54 N ALA A 4 -21.718 0.045 -3.046 1.00 0.00 N ATOM 55 CA ALA A 4 -20.926 1.090 -3.685 1.00 0.00 C ATOM 56 C ALA A 4 -20.382 2.066 -2.648 1.00 0.00 C ATOM 57 O ALA A 4 -19.227 2.485 -2.723 1.00 0.00 O ATOM 58 CB ALA A 4 -21.756 1.829 -4.723 1.00 0.00 C ATOM 0 H ALA A 4 -22.716 0.084 -3.254 1.00 0.00 H new ATOM 0 HA ALA A 4 -20.082 0.617 -4.187 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -21.149 2.605 -5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -22.095 1.127 -5.485 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -22.620 2.286 -4.240 1.00 0.00 H new ATOM 64 N GLU A 5 -21.223 2.424 -1.682 1.00 0.00 N ATOM 65 CA GLU A 5 -20.824 3.346 -0.626 1.00 0.00 C ATOM 66 C GLU A 5 -19.741 2.723 0.247 1.00 0.00 C ATOM 67 O GLU A 5 -18.848 3.416 0.735 1.00 0.00 O ATOM 68 CB GLU A 5 -22.031 3.732 0.232 1.00 0.00 C ATOM 69 CG GLU A 5 -23.134 4.430 -0.547 1.00 0.00 C ATOM 70 CD GLU A 5 -22.666 5.719 -1.195 1.00 0.00 C ATOM 71 OE1 GLU A 5 -22.701 6.770 -0.520 1.00 0.00 O ATOM 72 OE2 GLU A 5 -22.264 5.677 -2.376 1.00 0.00 O ATOM 0 H GLU A 5 -22.184 2.089 -1.610 1.00 0.00 H new ATOM 0 HA GLU A 5 -20.423 4.246 -1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -22.438 2.834 0.696 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -21.699 4.385 1.039 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -23.511 3.757 -1.317 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -23.966 4.646 0.123 1.00 0.00 H new ATOM 79 N LEU A 6 -19.828 1.410 0.440 1.00 0.00 N ATOM 80 CA LEU A 6 -18.850 0.691 1.248 1.00 0.00 C ATOM 81 C LEU A 6 -17.681 0.234 0.386 1.00 0.00 C ATOM 82 O LEU A 6 -16.635 -0.158 0.897 1.00 0.00 O ATOM 83 CB LEU A 6 -19.504 -0.520 1.920 1.00 0.00 C ATOM 84 CG LEU A 6 -18.666 -1.197 3.009 1.00 0.00 C ATOM 85 CD1 LEU A 6 -19.546 -1.611 4.178 1.00 0.00 C ATOM 86 CD2 LEU A 6 -17.934 -2.405 2.444 1.00 0.00 C ATOM 0 H LEU A 6 -20.565 0.824 0.048 1.00 0.00 H new ATOM 0 HA LEU A 6 -18.477 1.366 2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -20.451 -0.204 2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -19.737 -1.258 1.153 1.00 0.00 H new ATOM 0 HG LEU A 6 -17.927 -0.481 3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -18.934 -2.090 4.942 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -20.029 -0.730 4.600 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -20.307 -2.310 3.831 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -17.344 -2.874 3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -18.659 -3.122 2.058 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -17.274 -2.086 1.637 1.00 0.00 H new ATOM 98 N GLY A 7 -17.864 0.307 -0.928 1.00 0.00 N ATOM 99 CA GLY A 7 -16.824 -0.111 -1.849 1.00 0.00 C ATOM 100 C GLY A 7 -15.608 0.791 -1.815 1.00 0.00 C ATOM 101 O GLY A 7 -14.475 0.313 -1.842 1.00 0.00 O ATOM 0 H GLY A 7 -18.716 0.649 -1.372 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.521 -1.130 -1.608 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -17.228 -0.129 -2.861 1.00 0.00 H new ATOM 105 N MET A 8 -15.839 2.097 -1.755 1.00 0.00 N ATOM 106 CA MET A 8 -14.749 3.066 -1.725 1.00 0.00 C ATOM 107 C MET A 8 -14.017 3.037 -0.388 1.00 0.00 C ATOM 108 O MET A 8 -12.793 2.942 -0.347 1.00 0.00 O ATOM 109 CB MET A 8 -15.284 4.473 -1.995 1.00 0.00 C ATOM 110 CG MET A 8 -15.965 4.614 -3.346 1.00 0.00 C ATOM 111 SD MET A 8 -14.849 4.284 -4.723 1.00 0.00 S ATOM 112 CE MET A 8 -15.939 4.569 -6.114 1.00 0.00 C ATOM 0 H MET A 8 -16.771 2.510 -1.726 1.00 0.00 H new ATOM 0 HA MET A 8 -14.040 2.794 -2.507 1.00 0.00 H new ATOM 0 HB2 MET A 8 -15.992 4.741 -1.211 1.00 0.00 H new ATOM 0 HB3 MET A 8 -14.460 5.184 -1.937 1.00 0.00 H new ATOM 0 HG2 MET A 8 -16.810 3.928 -3.396 1.00 0.00 H new ATOM 0 HG3 MET A 8 -16.367 5.623 -3.443 1.00 0.00 H new ATOM 0 HE1 MET A 8 -15.394 4.404 -7.043 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.783 3.881 -6.062 1.00 0.00 H new ATOM 0 HE3 MET A 8 -16.305 5.595 -6.085 1.00 0.00 H new ATOM 122 N ALA A 9 -14.771 3.120 0.702 1.00 0.00 N ATOM 123 CA ALA A 9 -14.185 3.106 2.037 1.00 0.00 C ATOM 124 C ALA A 9 -13.392 1.825 2.276 1.00 0.00 C ATOM 125 O ALA A 9 -12.304 1.853 2.854 1.00 0.00 O ATOM 126 CB ALA A 9 -15.272 3.263 3.090 1.00 0.00 C ATOM 0 H ALA A 9 -15.788 3.198 0.688 1.00 0.00 H new ATOM 0 HA ALA A 9 -13.495 3.947 2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -14.822 3.251 4.083 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -15.791 4.209 2.939 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -15.983 2.441 3.004 1.00 0.00 H new ATOM 132 N PHE A 10 -13.946 0.703 1.830 1.00 0.00 N ATOM 133 CA PHE A 10 -13.298 -0.596 1.988 1.00 0.00 C ATOM 134 C PHE A 10 -12.056 -0.705 1.106 1.00 0.00 C ATOM 135 O PHE A 10 -10.997 -1.128 1.568 1.00 0.00 O ATOM 136 CB PHE A 10 -14.293 -1.717 1.664 1.00 0.00 C ATOM 137 CG PHE A 10 -13.670 -3.071 1.466 1.00 0.00 C ATOM 138 CD1 PHE A 10 -13.989 -3.828 0.351 1.00 0.00 C ATOM 139 CD2 PHE A 10 -12.773 -3.588 2.389 1.00 0.00 C ATOM 140 CE1 PHE A 10 -13.426 -5.075 0.158 1.00 0.00 C ATOM 141 CE2 PHE A 10 -12.207 -4.835 2.201 1.00 0.00 C ATOM 142 CZ PHE A 10 -12.534 -5.579 1.084 1.00 0.00 C ATOM 0 H PHE A 10 -14.847 0.666 1.354 1.00 0.00 H new ATOM 0 HA PHE A 10 -12.975 -0.697 3.024 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -15.022 -1.782 2.472 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -14.841 -1.448 0.761 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -14.686 -3.439 -0.376 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -12.514 -3.010 3.264 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -13.683 -5.655 -0.716 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -11.510 -5.227 2.927 1.00 0.00 H new ATOM 0 HZ PHE A 10 -12.093 -6.553 0.935 1.00 0.00 H new ATOM 152 N TRP A 11 -12.188 -0.328 -0.164 1.00 0.00 N ATOM 153 CA TRP A 11 -11.065 -0.390 -1.096 1.00 0.00 C ATOM 154 C TRP A 11 -9.925 0.514 -0.643 1.00 0.00 C ATOM 155 O TRP A 11 -8.756 0.145 -0.732 1.00 0.00 O ATOM 156 CB TRP A 11 -11.510 0.000 -2.507 1.00 0.00 C ATOM 157 CG TRP A 11 -11.832 -1.180 -3.372 1.00 0.00 C ATOM 158 CD1 TRP A 11 -13.058 -1.534 -3.857 1.00 0.00 C ATOM 159 CD2 TRP A 11 -10.910 -2.165 -3.849 1.00 0.00 C ATOM 160 NE1 TRP A 11 -12.953 -2.679 -4.610 1.00 0.00 N ATOM 161 CE2 TRP A 11 -11.645 -3.086 -4.620 1.00 0.00 C ATOM 162 CE3 TRP A 11 -9.534 -2.357 -3.701 1.00 0.00 C ATOM 163 CZ2 TRP A 11 -11.048 -4.181 -5.240 1.00 0.00 C ATOM 164 CZ3 TRP A 11 -8.943 -3.444 -4.316 1.00 0.00 C ATOM 165 CH2 TRP A 11 -9.699 -4.344 -5.078 1.00 0.00 C ATOM 0 H TRP A 11 -13.056 0.022 -0.569 1.00 0.00 H new ATOM 0 HA TRP A 11 -10.705 -1.419 -1.111 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -12.388 0.643 -2.439 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -10.722 0.585 -2.981 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -13.975 -0.994 -3.676 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -13.724 -3.149 -5.084 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -8.943 -1.668 -3.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -11.629 -4.877 -5.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -7.880 -3.602 -4.207 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -9.207 -5.183 -5.547 1.00 0.00 H new ATOM 176 N HIS A 12 -10.275 1.699 -0.162 1.00 0.00 N ATOM 177 CA HIS A 12 -9.284 2.659 0.308 1.00 0.00 C ATOM 178 C HIS A 12 -8.599 2.156 1.575 1.00 0.00 C ATOM 179 O HIS A 12 -7.391 2.322 1.745 1.00 0.00 O ATOM 180 CB HIS A 12 -9.940 4.018 0.562 1.00 0.00 C ATOM 181 CG HIS A 12 -10.405 4.696 -0.689 1.00 0.00 C ATOM 182 ND1 HIS A 12 -10.786 4.024 -1.829 1.00 0.00 N ATOM 183 CD2 HIS A 12 -10.551 6.016 -0.967 1.00 0.00 C ATOM 184 CE1 HIS A 12 -11.144 4.935 -2.744 1.00 0.00 C ATOM 185 NE2 HIS A 12 -11.020 6.160 -2.270 1.00 0.00 N ATOM 0 H HIS A 12 -11.240 2.020 -0.087 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.526 2.774 -0.467 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -10.790 3.884 1.231 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -9.230 4.666 1.075 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.337 6.826 -0.286 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -11.489 4.698 -3.739 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.225 7.032 -2.757 1.00 0.00 H new ATOM 193 N ASP A 13 -9.379 1.543 2.461 1.00 0.00 N ATOM 194 CA ASP A 13 -8.849 1.022 3.715 1.00 0.00 C ATOM 195 C ASP A 13 -7.910 -0.157 3.476 1.00 0.00 C ATOM 196 O ASP A 13 -6.855 -0.251 4.101 1.00 0.00 O ATOM 197 CB ASP A 13 -9.991 0.592 4.636 1.00 0.00 C ATOM 198 CG ASP A 13 -9.493 0.091 5.977 1.00 0.00 C ATOM 199 OD1 ASP A 13 -9.365 0.914 6.908 1.00 0.00 O ATOM 200 OD2 ASP A 13 -9.230 -1.124 6.097 1.00 0.00 O ATOM 0 H ASP A 13 -10.380 1.395 2.333 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.281 1.821 4.191 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -10.665 1.434 4.793 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -10.570 -0.193 4.150 1.00 0.00 H new ATOM 205 N LEU A 14 -8.299 -1.058 2.576 1.00 0.00 N ATOM 206 CA LEU A 14 -7.477 -2.225 2.266 1.00 0.00 C ATOM 207 C LEU A 14 -6.259 -1.824 1.446 1.00 0.00 C ATOM 208 O LEU A 14 -5.209 -2.454 1.535 1.00 0.00 O ATOM 209 CB LEU A 14 -8.295 -3.296 1.532 1.00 0.00 C ATOM 210 CG LEU A 14 -8.562 -3.039 0.048 1.00 0.00 C ATOM 211 CD1 LEU A 14 -7.421 -3.578 -0.801 1.00 0.00 C ATOM 212 CD2 LEU A 14 -9.880 -3.675 -0.367 1.00 0.00 C ATOM 0 H LEU A 14 -9.172 -1.003 2.052 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.131 -2.651 3.208 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.776 -4.250 1.627 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.254 -3.403 2.040 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.629 -1.963 -0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.629 -3.386 -1.854 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.492 -3.083 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.324 -4.652 -0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.058 -3.485 -1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.836 -4.750 -0.194 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.692 -3.246 0.221 1.00 0.00 H new ATOM 224 N ALA A 15 -6.411 -0.776 0.645 1.00 0.00 N ATOM 225 CA ALA A 15 -5.327 -0.291 -0.198 1.00 0.00 C ATOM 226 C ALA A 15 -4.220 0.355 0.629 1.00 0.00 C ATOM 227 O ALA A 15 -3.046 0.254 0.284 1.00 0.00 O ATOM 228 CB ALA A 15 -5.856 0.691 -1.232 1.00 0.00 C ATOM 0 H ALA A 15 -7.278 -0.245 0.562 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.899 -1.151 -0.713 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.033 1.044 -1.853 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.597 0.195 -1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -6.317 1.539 -0.726 1.00 0.00 H new ATOM 234 N ALA A 16 -4.602 1.024 1.714 1.00 0.00 N ATOM 235 CA ALA A 16 -3.636 1.697 2.581 1.00 0.00 C ATOM 236 C ALA A 16 -2.444 0.791 2.926 1.00 0.00 C ATOM 237 O ALA A 16 -1.297 1.169 2.691 1.00 0.00 O ATOM 238 CB ALA A 16 -4.320 2.210 3.843 1.00 0.00 C ATOM 0 H ALA A 16 -5.573 1.115 2.014 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.237 2.550 2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.587 2.708 4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.104 2.917 3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.759 1.372 4.385 1.00 0.00 H new ATOM 244 N PRO A 17 -2.687 -0.416 3.486 1.00 0.00 N ATOM 245 CA PRO A 17 -1.605 -1.347 3.837 1.00 0.00 C ATOM 246 C PRO A 17 -0.952 -1.968 2.606 1.00 0.00 C ATOM 247 O PRO A 17 0.210 -2.373 2.645 1.00 0.00 O ATOM 248 CB PRO A 17 -2.318 -2.424 4.656 1.00 0.00 C ATOM 249 CG PRO A 17 -3.723 -2.400 4.175 1.00 0.00 C ATOM 250 CD PRO A 17 -4.014 -0.968 3.828 1.00 0.00 C ATOM 0 HA PRO A 17 -0.796 -0.848 4.370 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -1.864 -3.403 4.502 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -2.262 -2.211 5.723 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -3.850 -3.046 3.306 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -4.405 -2.762 4.944 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -4.708 -0.892 2.991 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -4.465 -0.436 4.666 1.00 0.00 H new ATOM 258 N VAL A 18 -1.707 -2.038 1.513 1.00 0.00 N ATOM 259 CA VAL A 18 -1.206 -2.610 0.269 1.00 0.00 C ATOM 260 C VAL A 18 -0.145 -1.708 -0.354 1.00 0.00 C ATOM 261 O VAL A 18 0.926 -2.168 -0.748 1.00 0.00 O ATOM 262 CB VAL A 18 -2.351 -2.831 -0.743 1.00 0.00 C ATOM 263 CG1 VAL A 18 -1.808 -3.286 -2.089 1.00 0.00 C ATOM 264 CG2 VAL A 18 -3.355 -3.838 -0.199 1.00 0.00 C ATOM 0 H VAL A 18 -2.670 -1.705 1.465 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.759 -3.574 0.511 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.862 -1.880 -0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.635 -3.434 -2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.134 -2.527 -2.485 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.266 -4.223 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.155 -3.982 -0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -2.854 -4.789 -0.017 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -3.775 -3.465 0.735 1.00 0.00 H new ATOM 274 N ILE A 19 -0.456 -0.420 -0.436 1.00 0.00 N ATOM 275 CA ILE A 19 0.456 0.562 -1.004 1.00 0.00 C ATOM 276 C ILE A 19 1.656 0.779 -0.090 1.00 0.00 C ATOM 277 O ILE A 19 2.780 0.967 -0.556 1.00 0.00 O ATOM 278 CB ILE A 19 -0.257 1.907 -1.234 1.00 0.00 C ATOM 279 CG1 ILE A 19 -1.506 1.702 -2.093 1.00 0.00 C ATOM 280 CG2 ILE A 19 0.685 2.906 -1.892 1.00 0.00 C ATOM 281 CD1 ILE A 19 -2.522 2.813 -1.957 1.00 0.00 C ATOM 0 H ILE A 19 -1.341 -0.030 -0.113 1.00 0.00 H new ATOM 0 HA ILE A 19 0.801 0.173 -1.962 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.561 2.309 -0.268 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.208 1.619 -3.138 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.974 0.757 -1.819 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.163 3.851 -2.047 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.549 3.070 -1.248 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.018 2.514 -2.853 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.381 2.601 -2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.848 2.883 -0.919 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.071 3.758 -2.259 1.00 0.00 H new ATOM 293 N ALA A 20 1.407 0.754 1.217 1.00 0.00 N ATOM 294 CA ALA A 20 2.465 0.942 2.202 1.00 0.00 C ATOM 295 C ALA A 20 3.428 -0.238 2.191 1.00 0.00 C ATOM 296 O ALA A 20 4.632 -0.071 2.389 1.00 0.00 O ATOM 297 CB ALA A 20 1.869 1.130 3.590 1.00 0.00 C ATOM 0 H ALA A 20 0.481 0.605 1.617 1.00 0.00 H new ATOM 0 HA ALA A 20 3.023 1.840 1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.671 1.269 4.315 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.222 2.007 3.592 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.287 0.249 3.858 1.00 0.00 H new ATOM 303 N GLY A 21 2.890 -1.431 1.959 1.00 0.00 N ATOM 304 CA GLY A 21 3.716 -2.623 1.919 1.00 0.00 C ATOM 305 C GLY A 21 4.655 -2.629 0.730 1.00 0.00 C ATOM 306 O GLY A 21 5.839 -2.940 0.866 1.00 0.00 O ATOM 0 H GLY A 21 1.896 -1.593 1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 21 4.297 -2.692 2.839 1.00 0.00 H new ATOM 0 HA3 GLY A 21 3.077 -3.505 1.879 1.00 0.00 H new ATOM 310 N ILE A 22 4.125 -2.283 -0.440 1.00 0.00 N ATOM 311 CA ILE A 22 4.924 -2.242 -1.658 1.00 0.00 C ATOM 312 C ILE A 22 5.945 -1.113 -1.594 1.00 0.00 C ATOM 313 O ILE A 22 7.071 -1.252 -2.073 1.00 0.00 O ATOM 314 CB ILE A 22 4.042 -2.056 -2.909 1.00 0.00 C ATOM 315 CG1 ILE A 22 2.977 -3.153 -2.974 1.00 0.00 C ATOM 316 CG2 ILE A 22 4.900 -2.067 -4.167 1.00 0.00 C ATOM 317 CD1 ILE A 22 1.919 -2.911 -4.030 1.00 0.00 C ATOM 0 H ILE A 22 3.146 -2.027 -0.569 1.00 0.00 H new ATOM 0 HA ILE A 22 5.441 -3.199 -1.734 1.00 0.00 H new ATOM 0 HB ILE A 22 3.540 -1.091 -2.844 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.463 -4.108 -3.172 1.00 0.00 H new ATOM 0 HG13 ILE A 22 2.494 -3.237 -2.000 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.264 -1.935 -5.042 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.626 -1.255 -4.120 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.425 -3.019 -4.241 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.199 -3.729 -4.017 1.00 0.00 H new ATOM 0 HD12 ILE A 22 1.406 -1.972 -3.822 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.390 -2.857 -5.011 1.00 0.00 H new ATOM 329 N LEU A 23 5.542 0.006 -0.999 1.00 0.00 N ATOM 330 CA LEU A 23 6.419 1.162 -0.866 1.00 0.00 C ATOM 331 C LEU A 23 7.598 0.836 0.043 1.00 0.00 C ATOM 332 O LEU A 23 8.723 1.274 -0.200 1.00 0.00 O ATOM 333 CB LEU A 23 5.640 2.360 -0.314 1.00 0.00 C ATOM 334 CG LEU A 23 6.483 3.596 0.013 1.00 0.00 C ATOM 335 CD1 LEU A 23 7.213 4.095 -1.225 1.00 0.00 C ATOM 336 CD2 LEU A 23 5.606 4.695 0.593 1.00 0.00 C ATOM 0 H LEU A 23 4.612 0.136 -0.601 1.00 0.00 H new ATOM 0 HA LEU A 23 6.803 1.419 -1.853 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.878 2.642 -1.040 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.118 2.047 0.590 1.00 0.00 H new ATOM 0 HG LEU A 23 7.229 3.316 0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.805 4.973 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.870 3.311 -1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.487 4.359 -1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.219 5.567 0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.839 4.969 -0.132 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.131 4.337 1.506 1.00 0.00 H new ATOM 348 N ALA A 24 7.331 0.063 1.090 1.00 0.00 N ATOM 349 CA ALA A 24 8.368 -0.331 2.034 1.00 0.00 C ATOM 350 C ALA A 24 9.418 -1.200 1.351 1.00 0.00 C ATOM 351 O ALA A 24 10.613 -1.070 1.616 1.00 0.00 O ATOM 352 CB ALA A 24 7.756 -1.070 3.214 1.00 0.00 C ATOM 0 H ALA A 24 6.404 -0.303 1.306 1.00 0.00 H new ATOM 0 HA ALA A 24 8.857 0.571 2.402 1.00 0.00 H new ATOM 0 HB1 ALA A 24 8.543 -1.358 3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 24 7.043 -0.419 3.721 1.00 0.00 H new ATOM 0 HB3 ALA A 24 7.243 -1.963 2.857 1.00 0.00 H new ATOM 358 N SER A 25 8.961 -2.084 0.469 1.00 0.00 N ATOM 359 CA SER A 25 9.857 -2.978 -0.257 1.00 0.00 C ATOM 360 C SER A 25 10.832 -2.188 -1.121 1.00 0.00 C ATOM 361 O SER A 25 11.999 -2.557 -1.251 1.00 0.00 O ATOM 362 CB SER A 25 9.050 -3.941 -1.132 1.00 0.00 C ATOM 363 OG SER A 25 9.903 -4.827 -1.836 1.00 0.00 O ATOM 0 H SER A 25 7.974 -2.200 0.240 1.00 0.00 H new ATOM 0 HA SER A 25 10.428 -3.551 0.474 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.361 -4.512 -0.510 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.445 -3.374 -1.840 1.00 0.00 H new ATOM 0 HG SER A 25 9.363 -5.432 -2.386 1.00 0.00 H new ATOM 369 N MET A 26 10.349 -1.097 -1.707 1.00 0.00 N ATOM 370 CA MET A 26 11.184 -0.259 -2.559 1.00 0.00 C ATOM 371 C MET A 26 12.251 0.459 -1.739 1.00 0.00 C ATOM 372 O MET A 26 13.382 0.633 -2.194 1.00 0.00 O ATOM 373 CB MET A 26 10.326 0.757 -3.315 1.00 0.00 C ATOM 374 CG MET A 26 9.321 0.117 -4.259 1.00 0.00 C ATOM 375 SD MET A 26 8.560 1.307 -5.381 1.00 0.00 S ATOM 376 CE MET A 26 7.795 2.433 -4.217 1.00 0.00 C ATOM 0 H MET A 26 9.387 -0.774 -1.608 1.00 0.00 H new ATOM 0 HA MET A 26 11.684 -0.904 -3.282 1.00 0.00 H new ATOM 0 HB2 MET A 26 9.792 1.378 -2.595 1.00 0.00 H new ATOM 0 HB3 MET A 26 10.978 1.419 -3.885 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.819 -0.658 -4.842 1.00 0.00 H new ATOM 0 HG3 MET A 26 8.543 -0.374 -3.675 1.00 0.00 H new ATOM 0 HE1 MET A 26 7.283 3.227 -4.761 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.075 1.890 -3.605 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.561 2.869 -3.575 1.00 0.00 H new ATOM 386 N ILE A 27 11.885 0.875 -0.528 1.00 0.00 N ATOM 387 CA ILE A 27 12.817 1.569 0.354 1.00 0.00 C ATOM 388 C ILE A 27 13.920 0.629 0.827 1.00 0.00 C ATOM 389 O ILE A 27 15.094 0.999 0.856 1.00 0.00 O ATOM 390 CB ILE A 27 12.100 2.164 1.582 1.00 0.00 C ATOM 391 CG1 ILE A 27 11.020 3.153 1.138 1.00 0.00 C ATOM 392 CG2 ILE A 27 13.104 2.845 2.504 1.00 0.00 C ATOM 393 CD1 ILE A 27 10.184 3.691 2.280 1.00 0.00 C ATOM 0 H ILE A 27 10.952 0.743 -0.137 1.00 0.00 H new ATOM 0 HA ILE A 27 13.255 2.382 -0.224 1.00 0.00 H new ATOM 0 HB ILE A 27 11.621 1.355 2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 27 11.494 3.988 0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 27 10.364 2.663 0.418 1.00 0.00 H new ATOM 0 HG21 ILE A 27 12.583 3.260 3.366 1.00 0.00 H new ATOM 0 HG22 ILE A 27 13.841 2.116 2.842 1.00 0.00 H new ATOM 0 HG23 ILE A 27 13.608 3.647 1.964 1.00 0.00 H new ATOM 0 HD11 ILE A 27 9.440 4.385 1.890 1.00 0.00 H new ATOM 0 HD12 ILE A 27 9.681 2.865 2.783 1.00 0.00 H new ATOM 0 HD13 ILE A 27 10.828 4.210 2.989 1.00 0.00 H new ATOM 405 N VAL A 28 13.535 -0.589 1.198 1.00 0.00 N ATOM 406 CA VAL A 28 14.494 -1.582 1.667 1.00 0.00 C ATOM 407 C VAL A 28 15.457 -1.976 0.552 1.00 0.00 C ATOM 408 O VAL A 28 16.657 -2.121 0.779 1.00 0.00 O ATOM 409 CB VAL A 28 13.787 -2.845 2.201 1.00 0.00 C ATOM 410 CG1 VAL A 28 14.805 -3.886 2.642 1.00 0.00 C ATOM 411 CG2 VAL A 28 12.852 -2.489 3.347 1.00 0.00 C ATOM 0 H VAL A 28 12.567 -0.911 1.183 1.00 0.00 H new ATOM 0 HA VAL A 28 15.054 -1.125 2.483 1.00 0.00 H new ATOM 0 HB VAL A 28 13.193 -3.272 1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.285 -4.768 3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 28 15.431 -4.165 1.794 1.00 0.00 H new ATOM 0 HG13 VAL A 28 15.430 -3.472 3.433 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.362 -3.392 3.711 1.00 0.00 H new ATOM 0 HG22 VAL A 28 13.424 -2.036 4.156 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.099 -1.784 2.996 1.00 0.00 H new ATOM 421 N ASN A 29 14.920 -2.148 -0.653 1.00 0.00 N ATOM 422 CA ASN A 29 15.731 -2.520 -1.807 1.00 0.00 C ATOM 423 C ASN A 29 16.806 -1.471 -2.072 1.00 0.00 C ATOM 424 O ASN A 29 17.963 -1.804 -2.331 1.00 0.00 O ATOM 425 CB ASN A 29 14.848 -2.692 -3.044 1.00 0.00 C ATOM 426 CG ASN A 29 13.972 -3.927 -2.963 1.00 0.00 C ATOM 427 OD1 ASN A 29 14.337 -4.921 -2.335 1.00 0.00 O ATOM 428 ND2 ASN A 29 12.809 -3.871 -3.601 1.00 0.00 N ATOM 0 H ASN A 29 13.927 -2.036 -0.855 1.00 0.00 H new ATOM 0 HA ASN A 29 16.221 -3.469 -1.588 1.00 0.00 H new ATOM 0 HB2 ASN A 29 14.218 -1.810 -3.163 1.00 0.00 H new ATOM 0 HB3 ASN A 29 15.478 -2.755 -3.931 1.00 0.00 H new ATOM 0 HD21 ASN A 29 12.178 -4.672 -3.583 1.00 0.00 H new ATOM 0 HD22 ASN A 29 12.546 -3.027 -4.109 1.00 0.00 H new ATOM 435 N TRP A 30 16.413 -0.203 -2.006 1.00 0.00 N ATOM 436 CA TRP A 30 17.338 0.901 -2.232 1.00 0.00 C ATOM 437 C TRP A 30 18.432 0.919 -1.168 1.00 0.00 C ATOM 438 O TRP A 30 19.613 1.069 -1.480 1.00 0.00 O ATOM 439 CB TRP A 30 16.577 2.231 -2.235 1.00 0.00 C ATOM 440 CG TRP A 30 17.427 3.418 -1.896 1.00 0.00 C ATOM 441 CD1 TRP A 30 18.485 3.903 -2.608 1.00 0.00 C ATOM 442 CD2 TRP A 30 17.289 4.266 -0.752 1.00 0.00 C ATOM 443 NE1 TRP A 30 19.011 5.005 -1.978 1.00 0.00 N ATOM 444 CE2 TRP A 30 18.293 5.248 -0.836 1.00 0.00 C ATOM 445 CE3 TRP A 30 16.410 4.291 0.334 1.00 0.00 C ATOM 446 CZ2 TRP A 30 18.443 6.244 0.127 1.00 0.00 C ATOM 447 CZ3 TRP A 30 16.559 5.279 1.289 1.00 0.00 C ATOM 448 CH2 TRP A 30 17.568 6.244 1.180 1.00 0.00 C ATOM 0 H TRP A 30 15.457 0.086 -1.797 1.00 0.00 H new ATOM 0 HA TRP A 30 17.811 0.761 -3.204 1.00 0.00 H new ATOM 0 HB2 TRP A 30 16.134 2.383 -3.219 1.00 0.00 H new ATOM 0 HB3 TRP A 30 15.755 2.170 -1.522 1.00 0.00 H new ATOM 0 HD1 TRP A 30 18.855 3.482 -3.531 1.00 0.00 H new ATOM 0 HE1 TRP A 30 19.806 5.553 -2.307 1.00 0.00 H new ATOM 0 HE3 TRP A 30 15.628 3.552 0.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 19.221 6.989 0.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 15.886 5.307 2.133 1.00 0.00 H new ATOM 0 HH2 TRP A 30 17.658 7.004 1.942 1.00 0.00 H new ATOM 459 N LEU A 31 18.028 0.769 0.089 1.00 0.00 N ATOM 460 CA LEU A 31 18.971 0.767 1.201 1.00 0.00 C ATOM 461 C LEU A 31 19.947 -0.399 1.089 1.00 0.00 C ATOM 462 O LEU A 31 21.101 -0.297 1.505 1.00 0.00 O ATOM 463 CB LEU A 31 18.220 0.701 2.529 1.00 0.00 C ATOM 464 CG LEU A 31 17.618 2.026 2.990 1.00 0.00 C ATOM 465 CD1 LEU A 31 16.517 1.782 4.004 1.00 0.00 C ATOM 466 CD2 LEU A 31 18.695 2.923 3.581 1.00 0.00 C ATOM 0 H LEU A 31 17.053 0.647 0.363 1.00 0.00 H new ATOM 0 HA LEU A 31 19.544 1.694 1.163 1.00 0.00 H new ATOM 0 HB2 LEU A 31 17.420 -0.035 2.442 1.00 0.00 H new ATOM 0 HB3 LEU A 31 18.902 0.341 3.299 1.00 0.00 H new ATOM 0 HG LEU A 31 17.187 2.529 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 31 16.098 2.736 4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 31 15.733 1.175 3.551 1.00 0.00 H new ATOM 0 HD13 LEU A 31 16.927 1.259 4.868 1.00 0.00 H new ATOM 0 HD21 LEU A 31 18.248 3.863 3.904 1.00 0.00 H new ATOM 0 HD22 LEU A 31 19.154 2.426 4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 31 19.456 3.123 2.827 1.00 0.00 H new ATOM 478 N ASN A 32 19.475 -1.507 0.525 1.00 0.00 N ATOM 479 CA ASN A 32 20.309 -2.691 0.353 1.00 0.00 C ATOM 480 C ASN A 32 21.414 -2.430 -0.664 1.00 0.00 C ATOM 481 O ASN A 32 22.401 -3.163 -0.727 1.00 0.00 O ATOM 482 CB ASN A 32 19.461 -3.883 -0.095 1.00 0.00 C ATOM 483 CG ASN A 32 18.500 -4.350 0.980 1.00 0.00 C ATOM 484 OD1 ASN A 32 18.768 -4.208 2.173 1.00 0.00 O ATOM 485 ND2 ASN A 32 17.374 -4.917 0.563 1.00 0.00 N ATOM 0 H ASN A 32 18.521 -1.609 0.180 1.00 0.00 H new ATOM 0 HA ASN A 32 20.767 -2.924 1.314 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.898 -3.609 -0.987 1.00 0.00 H new ATOM 0 HB3 ASN A 32 20.118 -4.707 -0.374 1.00 0.00 H new ATOM 0 HD21 ASN A 32 16.691 -5.255 1.241 1.00 0.00 H new ATOM 0 HD22 ASN A 32 17.192 -5.015 -0.436 1.00 0.00 H new ATOM 492 N LYS A 33 21.240 -1.380 -1.461 1.00 0.00 N ATOM 493 CA LYS A 33 22.221 -1.018 -2.476 1.00 0.00 C ATOM 494 C LYS A 33 23.294 -0.107 -1.886 1.00 0.00 C ATOM 495 O LYS A 33 24.462 -0.183 -2.266 1.00 0.00 O ATOM 496 CB LYS A 33 21.529 -0.334 -3.660 1.00 0.00 C ATOM 497 CG LYS A 33 22.473 0.046 -4.793 1.00 0.00 C ATOM 498 CD LYS A 33 23.008 1.461 -4.629 1.00 0.00 C ATOM 499 CE LYS A 33 23.899 1.858 -5.796 1.00 0.00 C ATOM 500 NZ LYS A 33 24.422 3.244 -5.649 1.00 0.00 N ATOM 0 H LYS A 33 20.427 -0.765 -1.423 1.00 0.00 H new ATOM 0 HA LYS A 33 22.704 -1.928 -2.832 1.00 0.00 H new ATOM 0 HB2 LYS A 33 20.758 -0.998 -4.050 1.00 0.00 H new ATOM 0 HB3 LYS A 33 21.025 0.564 -3.304 1.00 0.00 H new ATOM 0 HG2 LYS A 33 23.306 -0.657 -4.824 1.00 0.00 H new ATOM 0 HG3 LYS A 33 21.950 -0.037 -5.746 1.00 0.00 H new ATOM 0 HD2 LYS A 33 22.175 2.160 -4.552 1.00 0.00 H new ATOM 0 HD3 LYS A 33 23.571 1.533 -3.699 1.00 0.00 H new ATOM 0 HE2 LYS A 33 24.734 1.161 -5.869 1.00 0.00 H new ATOM 0 HE3 LYS A 33 23.336 1.779 -6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 25.024 3.476 -6.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 23.626 3.912 -5.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 24.981 3.313 -4.775 1.00 0.00 H new ATOM 514 N ARG A 34 22.889 0.753 -0.955 1.00 0.00 N ATOM 515 CA ARG A 34 23.819 1.673 -0.311 1.00 0.00 C ATOM 516 C ARG A 34 24.376 1.066 0.973 1.00 0.00 C ATOM 517 O ARG A 34 24.812 1.783 1.874 1.00 0.00 O ATOM 518 CB ARG A 34 23.130 3.007 -0.005 1.00 0.00 C ATOM 519 CG ARG A 34 21.916 2.881 0.901 1.00 0.00 C ATOM 520 CD ARG A 34 21.381 4.246 1.306 1.00 0.00 C ATOM 521 NE ARG A 34 22.362 5.012 2.071 1.00 0.00 N ATOM 522 CZ ARG A 34 22.098 6.180 2.651 1.00 0.00 C ATOM 523 NH1 ARG A 34 20.887 6.713 2.560 1.00 0.00 N ATOM 524 NH2 ARG A 34 23.046 6.814 3.327 1.00 0.00 N ATOM 0 H ARG A 34 21.925 0.831 -0.631 1.00 0.00 H new ATOM 0 HA ARG A 34 24.646 1.854 -0.998 1.00 0.00 H new ATOM 0 HB2 ARG A 34 23.851 3.678 0.462 1.00 0.00 H new ATOM 0 HB3 ARG A 34 22.824 3.470 -0.943 1.00 0.00 H new ATOM 0 HG2 ARG A 34 21.135 2.320 0.389 1.00 0.00 H new ATOM 0 HG3 ARG A 34 22.183 2.314 1.793 1.00 0.00 H new ATOM 0 HD2 ARG A 34 21.100 4.805 0.413 1.00 0.00 H new ATOM 0 HD3 ARG A 34 20.476 4.119 1.900 1.00 0.00 H new ATOM 0 HE ARG A 34 23.303 4.630 2.166 1.00 0.00 H new ATOM 0 HH11 ARG A 34 20.153 6.227 2.044 1.00 0.00 H new ATOM 0 HH12 ARG A 34 20.689 7.609 3.006 1.00 0.00 H new ATOM 0 HH21 ARG A 34 23.978 6.406 3.403 1.00 0.00 H new ATOM 0 HH22 ARG A 34 22.843 7.709 3.772 1.00 0.00 H new ATOM 538 N LYS A 35 24.365 -0.262 1.042 1.00 0.00 N ATOM 539 CA LYS A 35 24.864 -0.976 2.213 1.00 0.00 C ATOM 540 C LYS A 35 26.327 -0.631 2.487 1.00 0.00 C ATOM 541 O LYS A 35 27.208 -1.154 1.773 1.00 0.00 O ATOM 542 CB LYS A 35 24.696 -2.488 2.024 1.00 0.00 C ATOM 543 CG LYS A 35 25.250 -3.010 0.705 1.00 0.00 C ATOM 544 CD LYS A 35 24.910 -4.479 0.494 1.00 0.00 C ATOM 545 CE LYS A 35 25.547 -5.364 1.556 1.00 0.00 C ATOM 546 NZ LYS A 35 25.223 -6.802 1.348 1.00 0.00 N ATOM 547 OXT LYS A 35 26.579 0.163 3.418 1.00 0.00 O ATOM 0 H LYS A 35 24.015 -0.867 0.299 1.00 0.00 H new ATOM 0 HA LYS A 35 24.278 -0.662 3.077 1.00 0.00 H new ATOM 0 HB2 LYS A 35 25.193 -3.004 2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 35 23.637 -2.737 2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 35 24.846 -2.421 -0.118 1.00 0.00 H new ATOM 0 HG3 LYS A 35 26.332 -2.881 0.688 1.00 0.00 H new ATOM 0 HD2 LYS A 35 23.828 -4.608 0.514 1.00 0.00 H new ATOM 0 HD3 LYS A 35 25.250 -4.793 -0.493 1.00 0.00 H new ATOM 0 HE2 LYS A 35 26.629 -5.230 1.540 1.00 0.00 H new ATOM 0 HE3 LYS A 35 25.202 -5.053 2.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 25.675 -7.371 2.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 24.192 -6.935 1.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 25.575 -7.106 0.418 1.00 0.00 H new TER 561 LYS A 35