USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 452 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 THR OG1 : rot 110:sc= -0.923 USER MOD Set 1.2: A 44 ASN : amide:sc= -0.199 X(o=-1.1,f=-1.5!) USER MOD Single : A 1 GLU N :NH3+ -123:sc=-0.000447 (180deg=-0.0406) USER MOD Single : A 3 HIS : no HE2:sc= -0.503 K(o=-0.5,f=-3.2!) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 22 ASN : amide:sc= -1.74 X(o=-1.7,f=-1.4) USER MOD Single : A 25 TYR OH : rot 180:sc= -1.05 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -1.29 X(o=-1.3,f=-1.7) USER MOD Single : A 28 SER OG : rot 170:sc= -0.0711 USER MOD Single : A 32 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0283) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc=-0.00778 USER MOD Single : A 39 SER OG : rot 99:sc= -1.44 USER MOD Single : A 46 ASN : amide:sc= -6.09! C(o=-6.1!,f=-9.4!) USER MOD Single : A 47 ASN : amide:sc= 0.612 K(o=0.61,f=-0.34) USER MOD Single : A 49 THR OG1 : rot -34:sc= 1.01 USER MOD Single : A 50 SER OG : rot 50:sc= 1.02 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.907 X(o=-0.91,f=-0.9) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -129:sc= -0.0334 (180deg=-0.411) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 52.414 17.386 1.868 1.00 0.00 N ATOM 2 CA GLU A 1 52.575 16.980 3.294 1.00 0.00 C ATOM 3 C GLU A 1 51.303 17.302 4.082 1.00 0.00 C ATOM 4 O GLU A 1 50.610 16.417 4.547 1.00 0.00 O ATOM 5 CB GLU A 1 53.751 17.809 3.811 1.00 0.00 C ATOM 6 CG GLU A 1 55.060 17.248 3.248 1.00 0.00 C ATOM 7 CD GLU A 1 56.218 17.637 4.169 1.00 0.00 C ATOM 8 OE1 GLU A 1 56.416 18.824 4.370 1.00 0.00 O ATOM 9 OE2 GLU A 1 56.889 16.741 4.655 1.00 0.00 O ATOM 0 H1 GLU A 1 52.571 16.562 1.253 1.00 0.00 H new ATOM 0 H2 GLU A 1 51.452 17.752 1.718 1.00 0.00 H new ATOM 0 H3 GLU A 1 53.106 18.127 1.638 1.00 0.00 H new ATOM 0 HA GLU A 1 52.752 15.910 3.402 1.00 0.00 H new ATOM 0 HB2 GLU A 1 53.633 18.851 3.515 1.00 0.00 H new ATOM 0 HB3 GLU A 1 53.773 17.788 4.901 1.00 0.00 H new ATOM 0 HG2 GLU A 1 54.997 16.163 3.163 1.00 0.00 H new ATOM 0 HG3 GLU A 1 55.233 17.636 2.244 1.00 0.00 H new ATOM 18 N PHE A 2 50.992 18.568 4.239 1.00 0.00 N ATOM 19 CA PHE A 2 49.761 18.972 4.999 1.00 0.00 C ATOM 20 C PHE A 2 49.736 18.308 6.383 1.00 0.00 C ATOM 21 O PHE A 2 50.663 17.619 6.766 1.00 0.00 O ATOM 22 CB PHE A 2 48.582 18.486 4.151 1.00 0.00 C ATOM 23 CG PHE A 2 48.282 19.500 3.072 1.00 0.00 C ATOM 24 CD1 PHE A 2 47.788 20.763 3.418 1.00 0.00 C ATOM 25 CD2 PHE A 2 48.496 19.175 1.728 1.00 0.00 C ATOM 26 CE1 PHE A 2 47.508 21.703 2.418 1.00 0.00 C ATOM 27 CE2 PHE A 2 48.216 20.114 0.728 1.00 0.00 C ATOM 28 CZ PHE A 2 47.722 21.378 1.073 1.00 0.00 C ATOM 0 H PHE A 2 51.541 19.345 3.871 1.00 0.00 H new ATOM 0 HA PHE A 2 49.726 20.049 5.166 1.00 0.00 H new ATOM 0 HB2 PHE A 2 48.817 17.521 3.702 1.00 0.00 H new ATOM 0 HB3 PHE A 2 47.704 18.339 4.780 1.00 0.00 H new ATOM 0 HD1 PHE A 2 47.623 21.013 4.456 1.00 0.00 H new ATOM 0 HD2 PHE A 2 48.877 18.200 1.462 1.00 0.00 H new ATOM 0 HE1 PHE A 2 47.127 22.678 2.684 1.00 0.00 H new ATOM 0 HE2 PHE A 2 48.381 19.863 -0.309 1.00 0.00 H new ATOM 0 HZ PHE A 2 47.506 22.102 0.302 1.00 0.00 H new ATOM 38 N HIS A 3 48.678 18.511 7.127 1.00 0.00 N ATOM 39 CA HIS A 3 48.582 17.893 8.485 1.00 0.00 C ATOM 40 C HIS A 3 47.354 16.975 8.563 1.00 0.00 C ATOM 41 O HIS A 3 46.795 16.765 9.623 1.00 0.00 O ATOM 42 CB HIS A 3 48.451 19.072 9.460 1.00 0.00 C ATOM 43 CG HIS A 3 47.222 19.884 9.136 1.00 0.00 C ATOM 44 ND1 HIS A 3 45.941 19.420 9.396 1.00 0.00 N ATOM 45 CD2 HIS A 3 47.064 21.128 8.578 1.00 0.00 C ATOM 46 CE1 HIS A 3 45.078 20.372 8.999 1.00 0.00 C ATOM 47 NE2 HIS A 3 45.709 21.434 8.493 1.00 0.00 N ATOM 0 H HIS A 3 47.876 19.078 6.853 1.00 0.00 H new ATOM 0 HA HIS A 3 49.450 17.277 8.720 1.00 0.00 H new ATOM 0 HB2 HIS A 3 48.391 18.702 10.483 1.00 0.00 H new ATOM 0 HB3 HIS A 3 49.338 19.703 9.400 1.00 0.00 H new ATOM 0 HD1 HIS A 3 45.698 18.521 9.812 1.00 0.00 H new ATOM 0 HD2 HIS A 3 47.869 21.771 8.254 1.00 0.00 H new ATOM 0 HE1 HIS A 3 44.004 20.288 9.080 1.00 0.00 H new ATOM 55 N GLY A 4 46.935 16.432 7.447 1.00 0.00 N ATOM 56 CA GLY A 4 45.745 15.530 7.446 1.00 0.00 C ATOM 57 C GLY A 4 46.105 14.202 8.138 1.00 0.00 C ATOM 58 O GLY A 4 47.002 14.174 8.956 1.00 0.00 O ATOM 0 H GLY A 4 47.368 16.576 6.535 1.00 0.00 H new ATOM 0 HA2 GLY A 4 44.913 16.008 7.963 1.00 0.00 H new ATOM 0 HA3 GLY A 4 45.419 15.342 6.423 1.00 0.00 H new ATOM 62 N PRO A 5 45.403 13.128 7.801 1.00 0.00 N ATOM 63 CA PRO A 5 45.698 11.816 8.430 1.00 0.00 C ATOM 64 C PRO A 5 47.132 11.386 8.105 1.00 0.00 C ATOM 65 O PRO A 5 47.804 12.010 7.306 1.00 0.00 O ATOM 66 CB PRO A 5 44.674 10.882 7.775 1.00 0.00 C ATOM 67 CG PRO A 5 43.823 11.696 6.783 1.00 0.00 C ATOM 68 CD PRO A 5 44.302 13.153 6.798 1.00 0.00 C ATOM 0 HA PRO A 5 45.627 11.822 9.518 1.00 0.00 H new ATOM 0 HB2 PRO A 5 45.182 10.069 7.257 1.00 0.00 H new ATOM 0 HB3 PRO A 5 44.037 10.428 8.534 1.00 0.00 H new ATOM 0 HG2 PRO A 5 43.912 11.280 5.780 1.00 0.00 H new ATOM 0 HG3 PRO A 5 42.769 11.643 7.058 1.00 0.00 H new ATOM 0 HD2 PRO A 5 44.655 13.473 5.818 1.00 0.00 H new ATOM 0 HD3 PRO A 5 43.505 13.838 7.089 1.00 0.00 H new ATOM 76 N SER A 6 47.607 10.335 8.727 1.00 0.00 N ATOM 77 CA SER A 6 49.002 9.874 8.460 1.00 0.00 C ATOM 78 C SER A 6 49.027 8.384 8.104 1.00 0.00 C ATOM 79 O SER A 6 49.972 7.684 8.424 1.00 0.00 O ATOM 80 CB SER A 6 49.750 10.126 9.768 1.00 0.00 C ATOM 81 OG SER A 6 49.502 11.456 10.201 1.00 0.00 O ATOM 0 H SER A 6 47.089 9.778 9.407 1.00 0.00 H new ATOM 0 HA SER A 6 49.452 10.398 7.617 1.00 0.00 H new ATOM 0 HB2 SER A 6 49.425 9.417 10.529 1.00 0.00 H new ATOM 0 HB3 SER A 6 50.819 9.971 9.625 1.00 0.00 H new ATOM 0 HG SER A 6 49.979 11.621 11.041 1.00 0.00 H new ATOM 87 N TRP A 7 48.005 7.893 7.444 1.00 0.00 N ATOM 88 CA TRP A 7 47.989 6.442 7.070 1.00 0.00 C ATOM 89 C TRP A 7 47.425 6.210 5.654 1.00 0.00 C ATOM 90 O TRP A 7 47.301 5.078 5.228 1.00 0.00 O ATOM 91 CB TRP A 7 47.116 5.745 8.123 1.00 0.00 C ATOM 92 CG TRP A 7 45.756 6.369 8.176 1.00 0.00 C ATOM 93 CD1 TRP A 7 45.450 7.501 8.846 1.00 0.00 C ATOM 94 CD2 TRP A 7 44.517 5.908 7.563 1.00 0.00 C ATOM 95 NE1 TRP A 7 44.105 7.769 8.682 1.00 0.00 N ATOM 96 CE2 TRP A 7 43.486 6.816 7.897 1.00 0.00 C ATOM 97 CE3 TRP A 7 44.193 4.803 6.755 1.00 0.00 C ATOM 98 CZ2 TRP A 7 42.177 6.634 7.449 1.00 0.00 C ATOM 99 CZ3 TRP A 7 42.877 4.618 6.300 1.00 0.00 C ATOM 100 CH2 TRP A 7 41.870 5.532 6.647 1.00 0.00 C ATOM 0 H TRP A 7 47.188 8.428 7.150 1.00 0.00 H new ATOM 0 HA TRP A 7 49.003 6.043 7.051 1.00 0.00 H new ATOM 0 HB2 TRP A 7 47.027 4.685 7.885 1.00 0.00 H new ATOM 0 HB3 TRP A 7 47.592 5.814 9.101 1.00 0.00 H new ATOM 0 HD1 TRP A 7 46.144 8.099 9.417 1.00 0.00 H new ATOM 0 HE1 TRP A 7 43.627 8.572 9.091 1.00 0.00 H new ATOM 0 HE3 TRP A 7 44.960 4.093 6.483 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 41.406 7.340 7.720 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 42.639 3.767 5.679 1.00 0.00 H new ATOM 0 HH2 TRP A 7 40.860 5.384 6.295 1.00 0.00 H new ATOM 111 N CYS A 8 47.110 7.250 4.909 1.00 0.00 N ATOM 112 CA CYS A 8 46.588 7.037 3.516 1.00 0.00 C ATOM 113 C CYS A 8 47.720 7.284 2.507 1.00 0.00 C ATOM 114 O CYS A 8 47.730 6.726 1.425 1.00 0.00 O ATOM 115 CB CYS A 8 45.443 8.050 3.324 1.00 0.00 C ATOM 116 SG CYS A 8 43.954 7.194 2.721 1.00 0.00 S ATOM 0 H CYS A 8 47.191 8.224 5.201 1.00 0.00 H new ATOM 0 HA CYS A 8 46.227 6.020 3.362 1.00 0.00 H new ATOM 0 HB2 CYS A 8 45.228 8.552 4.267 1.00 0.00 H new ATOM 0 HB3 CYS A 8 45.743 8.821 2.614 1.00 0.00 H new ATOM 121 N LEU A 9 48.675 8.110 2.862 1.00 0.00 N ATOM 122 CA LEU A 9 49.817 8.392 1.941 1.00 0.00 C ATOM 123 C LEU A 9 51.053 7.562 2.320 1.00 0.00 C ATOM 124 O LEU A 9 52.093 7.681 1.698 1.00 0.00 O ATOM 125 CB LEU A 9 50.104 9.882 2.131 1.00 0.00 C ATOM 126 CG LEU A 9 48.879 10.698 1.696 1.00 0.00 C ATOM 127 CD1 LEU A 9 48.129 11.205 2.929 1.00 0.00 C ATOM 128 CD2 LEU A 9 49.328 11.890 0.845 1.00 0.00 C ATOM 0 H LEU A 9 48.711 8.602 3.755 1.00 0.00 H new ATOM 0 HA LEU A 9 49.579 8.136 0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 9 50.339 10.088 3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 9 50.975 10.173 1.544 1.00 0.00 H new ATOM 0 HG LEU A 9 48.217 10.062 1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 9 47.260 11.784 2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 9 47.802 10.357 3.530 1.00 0.00 H new ATOM 0 HD13 LEU A 9 48.790 11.837 3.523 1.00 0.00 H new ATOM 0 HD21 LEU A 9 48.456 12.467 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 9 49.995 12.524 1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 9 49.853 11.529 -0.039 1.00 0.00 H new ATOM 140 N THR A 10 50.960 6.732 3.336 1.00 0.00 N ATOM 141 CA THR A 10 52.147 5.914 3.743 1.00 0.00 C ATOM 142 C THR A 10 52.534 4.919 2.623 1.00 0.00 C ATOM 143 O THR A 10 51.673 4.475 1.887 1.00 0.00 O ATOM 144 CB THR A 10 51.709 5.165 5.010 1.00 0.00 C ATOM 145 OG1 THR A 10 52.778 4.349 5.468 1.00 0.00 O ATOM 146 CG2 THR A 10 50.487 4.288 4.713 1.00 0.00 C ATOM 0 H THR A 10 50.120 6.588 3.896 1.00 0.00 H new ATOM 0 HA THR A 10 53.025 6.534 3.924 1.00 0.00 H new ATOM 0 HB THR A 10 51.444 5.891 5.778 1.00 0.00 H new ATOM 0 HG1 THR A 10 53.138 4.718 6.301 1.00 0.00 H new ATOM 0 HG21 THR A 10 50.187 3.763 5.620 1.00 0.00 H new ATOM 0 HG22 THR A 10 49.665 4.915 4.368 1.00 0.00 H new ATOM 0 HG23 THR A 10 50.739 3.562 3.940 1.00 0.00 H new ATOM 154 N PRO A 11 53.816 4.590 2.511 1.00 0.00 N ATOM 155 CA PRO A 11 54.254 3.641 1.455 1.00 0.00 C ATOM 156 C PRO A 11 53.589 2.275 1.651 1.00 0.00 C ATOM 157 O PRO A 11 53.030 1.993 2.695 1.00 0.00 O ATOM 158 CB PRO A 11 55.769 3.554 1.679 1.00 0.00 C ATOM 159 CG PRO A 11 56.150 4.461 2.864 1.00 0.00 C ATOM 160 CD PRO A 11 54.880 5.128 3.404 1.00 0.00 C ATOM 0 HA PRO A 11 53.989 3.958 0.446 1.00 0.00 H new ATOM 0 HB2 PRO A 11 56.061 2.524 1.883 1.00 0.00 H new ATOM 0 HB3 PRO A 11 56.302 3.864 0.780 1.00 0.00 H new ATOM 0 HG2 PRO A 11 56.631 3.876 3.648 1.00 0.00 H new ATOM 0 HG3 PRO A 11 56.867 5.217 2.545 1.00 0.00 H new ATOM 0 HD2 PRO A 11 54.700 4.870 4.448 1.00 0.00 H new ATOM 0 HD3 PRO A 11 54.941 6.215 3.351 1.00 0.00 H new ATOM 168 N ALA A 12 53.647 1.428 0.654 1.00 0.00 N ATOM 169 CA ALA A 12 53.018 0.077 0.777 1.00 0.00 C ATOM 170 C ALA A 12 53.719 -0.731 1.873 1.00 0.00 C ATOM 171 O ALA A 12 54.714 -1.388 1.633 1.00 0.00 O ATOM 172 CB ALA A 12 53.206 -0.588 -0.588 1.00 0.00 C ATOM 0 H ALA A 12 54.103 1.613 -0.240 1.00 0.00 H new ATOM 0 HA ALA A 12 51.964 0.139 1.049 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.767 -1.586 -0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 12 52.715 0.011 -1.355 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.270 -0.664 -0.812 1.00 0.00 H new ATOM 178 N ASP A 13 53.203 -0.681 3.074 1.00 0.00 N ATOM 179 CA ASP A 13 53.829 -1.440 4.203 1.00 0.00 C ATOM 180 C ASP A 13 53.853 -2.941 3.892 1.00 0.00 C ATOM 181 O ASP A 13 52.824 -3.589 3.837 1.00 0.00 O ATOM 182 CB ASP A 13 52.945 -1.156 5.426 1.00 0.00 C ATOM 183 CG ASP A 13 51.499 -1.575 5.136 1.00 0.00 C ATOM 184 OD1 ASP A 13 50.792 -0.801 4.513 1.00 0.00 O ATOM 185 OD2 ASP A 13 51.125 -2.662 5.545 1.00 0.00 O ATOM 0 H ASP A 13 52.372 -0.146 3.324 1.00 0.00 H new ATOM 0 HA ASP A 13 54.862 -1.137 4.372 1.00 0.00 H new ATOM 0 HB2 ASP A 13 53.323 -1.699 6.292 1.00 0.00 H new ATOM 0 HB3 ASP A 13 52.982 -0.095 5.674 1.00 0.00 H new ATOM 190 N ARG A 14 55.021 -3.495 3.692 1.00 0.00 N ATOM 191 CA ARG A 14 55.122 -4.956 3.389 1.00 0.00 C ATOM 192 C ARG A 14 54.819 -5.771 4.649 1.00 0.00 C ATOM 193 O ARG A 14 54.016 -6.686 4.629 1.00 0.00 O ATOM 194 CB ARG A 14 56.570 -5.177 2.936 1.00 0.00 C ATOM 195 CG ARG A 14 56.590 -6.047 1.676 1.00 0.00 C ATOM 196 CD ARG A 14 57.964 -6.705 1.527 1.00 0.00 C ATOM 197 NE ARG A 14 57.817 -8.049 2.150 1.00 0.00 N ATOM 198 CZ ARG A 14 58.868 -8.678 2.601 1.00 0.00 C ATOM 199 NH1 ARG A 14 59.396 -8.332 3.744 1.00 0.00 N ATOM 200 NH2 ARG A 14 59.392 -9.652 1.909 1.00 0.00 N ATOM 0 H ARG A 14 55.911 -2.998 3.725 1.00 0.00 H new ATOM 0 HA ARG A 14 54.411 -5.270 2.625 1.00 0.00 H new ATOM 0 HB2 ARG A 14 57.049 -4.218 2.735 1.00 0.00 H new ATOM 0 HB3 ARG A 14 57.140 -5.658 3.731 1.00 0.00 H new ATOM 0 HG2 ARG A 14 55.815 -6.811 1.737 1.00 0.00 H new ATOM 0 HG3 ARG A 14 56.370 -5.439 0.799 1.00 0.00 H new ATOM 0 HD2 ARG A 14 58.252 -6.785 0.479 1.00 0.00 H new ATOM 0 HD3 ARG A 14 58.737 -6.121 2.026 1.00 0.00 H new ATOM 0 HE ARG A 14 56.895 -8.478 2.224 1.00 0.00 H new ATOM 0 HH11 ARG A 14 58.987 -7.570 4.285 1.00 0.00 H new ATOM 0 HH12 ARG A 14 60.217 -8.824 4.096 1.00 0.00 H new ATOM 0 HH21 ARG A 14 58.980 -9.922 1.016 1.00 0.00 H new ATOM 0 HH22 ARG A 14 60.213 -10.144 2.261 1.00 0.00 H new ATOM 214 N GLY A 15 55.454 -5.440 5.745 1.00 0.00 N ATOM 215 CA GLY A 15 55.207 -6.186 7.014 1.00 0.00 C ATOM 216 C GLY A 15 56.540 -6.609 7.633 1.00 0.00 C ATOM 217 O GLY A 15 57.454 -5.815 7.759 1.00 0.00 O ATOM 0 H GLY A 15 56.134 -4.683 5.815 1.00 0.00 H new ATOM 0 HA2 GLY A 15 54.653 -5.559 7.713 1.00 0.00 H new ATOM 0 HA3 GLY A 15 54.592 -7.064 6.817 1.00 0.00 H new ATOM 221 N LEU A 16 56.655 -7.854 8.024 1.00 0.00 N ATOM 222 CA LEU A 16 57.927 -8.335 8.643 1.00 0.00 C ATOM 223 C LEU A 16 58.200 -9.791 8.251 1.00 0.00 C ATOM 224 O LEU A 16 59.208 -10.098 7.643 1.00 0.00 O ATOM 225 CB LEU A 16 57.701 -8.219 10.151 1.00 0.00 C ATOM 226 CG LEU A 16 58.249 -6.882 10.648 1.00 0.00 C ATOM 227 CD1 LEU A 16 57.674 -6.576 12.033 1.00 0.00 C ATOM 228 CD2 LEU A 16 59.774 -6.959 10.738 1.00 0.00 C ATOM 0 H LEU A 16 55.922 -8.558 7.941 1.00 0.00 H new ATOM 0 HA LEU A 16 58.788 -7.755 8.311 1.00 0.00 H new ATOM 0 HB2 LEU A 16 56.637 -8.294 10.377 1.00 0.00 H new ATOM 0 HB3 LEU A 16 58.196 -9.041 10.668 1.00 0.00 H new ATOM 0 HG LEU A 16 57.963 -6.092 9.953 1.00 0.00 H new ATOM 0 HD11 LEU A 16 58.065 -5.622 12.387 1.00 0.00 H new ATOM 0 HD12 LEU A 16 56.587 -6.522 11.972 1.00 0.00 H new ATOM 0 HD13 LEU A 16 57.960 -7.366 12.728 1.00 0.00 H new ATOM 0 HD21 LEU A 16 60.166 -6.006 11.092 1.00 0.00 H new ATOM 0 HD22 LEU A 16 60.058 -7.749 11.433 1.00 0.00 H new ATOM 0 HD23 LEU A 16 60.186 -7.177 9.753 1.00 0.00 H new ATOM 240 N CYS A 17 57.312 -10.689 8.601 1.00 0.00 N ATOM 241 CA CYS A 17 57.520 -12.130 8.254 1.00 0.00 C ATOM 242 C CYS A 17 57.546 -12.316 6.734 1.00 0.00 C ATOM 243 O CYS A 17 57.673 -11.364 5.988 1.00 0.00 O ATOM 244 CB CYS A 17 56.339 -12.884 8.883 1.00 0.00 C ATOM 245 SG CYS A 17 54.767 -12.256 8.234 1.00 0.00 S ATOM 0 H CYS A 17 56.452 -10.487 9.112 1.00 0.00 H new ATOM 0 HA CYS A 17 58.472 -12.505 8.629 1.00 0.00 H new ATOM 0 HB2 CYS A 17 56.427 -13.950 8.672 1.00 0.00 H new ATOM 0 HB3 CYS A 17 56.363 -12.771 9.967 1.00 0.00 H new ATOM 250 N ARG A 18 57.433 -13.538 6.275 1.00 0.00 N ATOM 251 CA ARG A 18 57.456 -13.795 4.804 1.00 0.00 C ATOM 252 C ARG A 18 56.129 -14.405 4.343 1.00 0.00 C ATOM 253 O ARG A 18 55.858 -15.569 4.569 1.00 0.00 O ATOM 254 CB ARG A 18 58.606 -14.783 4.594 1.00 0.00 C ATOM 255 CG ARG A 18 58.760 -15.085 3.100 1.00 0.00 C ATOM 256 CD ARG A 18 59.945 -16.033 2.881 1.00 0.00 C ATOM 257 NE ARG A 18 61.018 -15.183 2.292 1.00 0.00 N ATOM 258 CZ ARG A 18 61.794 -15.663 1.360 1.00 0.00 C ATOM 259 NH1 ARG A 18 61.404 -15.648 0.114 1.00 0.00 N ATOM 260 NH2 ARG A 18 62.960 -16.160 1.674 1.00 0.00 N ATOM 0 H ARG A 18 57.326 -14.369 6.857 1.00 0.00 H new ATOM 0 HA ARG A 18 57.593 -12.879 4.229 1.00 0.00 H new ATOM 0 HB2 ARG A 18 59.533 -14.366 4.988 1.00 0.00 H new ATOM 0 HB3 ARG A 18 58.412 -15.704 5.143 1.00 0.00 H new ATOM 0 HG2 ARG A 18 57.846 -15.536 2.715 1.00 0.00 H new ATOM 0 HG3 ARG A 18 58.916 -14.159 2.547 1.00 0.00 H new ATOM 0 HD2 ARG A 18 60.269 -16.483 3.820 1.00 0.00 H new ATOM 0 HD3 ARG A 18 59.677 -16.850 2.211 1.00 0.00 H new ATOM 0 HE ARG A 18 61.146 -14.225 2.618 1.00 0.00 H new ATOM 0 HH11 ARG A 18 60.493 -15.261 -0.130 1.00 0.00 H new ATOM 0 HH12 ARG A 18 62.011 -16.023 -0.615 1.00 0.00 H new ATOM 0 HH21 ARG A 18 63.264 -16.173 2.648 1.00 0.00 H new ATOM 0 HH22 ARG A 18 63.567 -16.536 0.946 1.00 0.00 H new ATOM 274 N ALA A 19 55.309 -13.623 3.690 1.00 0.00 N ATOM 275 CA ALA A 19 53.998 -14.142 3.195 1.00 0.00 C ATOM 276 C ALA A 19 53.633 -13.447 1.881 1.00 0.00 C ATOM 277 O ALA A 19 53.598 -12.234 1.804 1.00 0.00 O ATOM 278 CB ALA A 19 52.990 -13.794 4.292 1.00 0.00 C ATOM 0 H ALA A 19 55.492 -12.642 3.477 1.00 0.00 H new ATOM 0 HA ALA A 19 54.019 -15.214 2.997 1.00 0.00 H new ATOM 0 HB1 ALA A 19 52.000 -14.144 4.001 1.00 0.00 H new ATOM 0 HB2 ALA A 19 53.286 -14.276 5.224 1.00 0.00 H new ATOM 0 HB3 ALA A 19 52.965 -12.714 4.434 1.00 0.00 H new ATOM 284 N ASN A 20 53.374 -14.205 0.847 1.00 0.00 N ATOM 285 CA ASN A 20 53.021 -13.590 -0.468 1.00 0.00 C ATOM 286 C ASN A 20 51.506 -13.399 -0.587 1.00 0.00 C ATOM 287 O ASN A 20 50.829 -14.150 -1.265 1.00 0.00 O ATOM 288 CB ASN A 20 53.523 -14.583 -1.518 1.00 0.00 C ATOM 289 CG ASN A 20 55.041 -14.731 -1.397 1.00 0.00 C ATOM 290 OD1 ASN A 20 55.556 -15.832 -1.366 1.00 0.00 O ATOM 291 ND2 ASN A 20 55.786 -13.662 -1.327 1.00 0.00 N ATOM 0 H ASN A 20 53.392 -15.225 0.856 1.00 0.00 H new ATOM 0 HA ASN A 20 53.469 -12.604 -0.590 1.00 0.00 H new ATOM 0 HB2 ASN A 20 53.041 -15.550 -1.379 1.00 0.00 H new ATOM 0 HB3 ASN A 20 53.259 -14.236 -2.517 1.00 0.00 H new ATOM 0 HD21 ASN A 20 56.799 -13.751 -1.246 1.00 0.00 H new ATOM 0 HD22 ASN A 20 55.355 -12.738 -1.353 1.00 0.00 H new ATOM 298 N GLU A 21 50.972 -12.392 0.059 1.00 0.00 N ATOM 299 CA GLU A 21 49.501 -12.139 -0.021 1.00 0.00 C ATOM 300 C GLU A 21 49.201 -11.196 -1.192 1.00 0.00 C ATOM 301 O GLU A 21 50.024 -11.005 -2.067 1.00 0.00 O ATOM 302 CB GLU A 21 49.130 -11.486 1.316 1.00 0.00 C ATOM 303 CG GLU A 21 48.372 -12.489 2.189 1.00 0.00 C ATOM 304 CD GLU A 21 48.530 -12.106 3.662 1.00 0.00 C ATOM 305 OE1 GLU A 21 49.650 -12.136 4.143 1.00 0.00 O ATOM 306 OE2 GLU A 21 47.528 -11.788 4.281 1.00 0.00 O ATOM 0 H GLU A 21 51.492 -11.734 0.639 1.00 0.00 H new ATOM 0 HA GLU A 21 48.929 -13.051 -0.190 1.00 0.00 H new ATOM 0 HB2 GLU A 21 50.031 -11.150 1.830 1.00 0.00 H new ATOM 0 HB3 GLU A 21 48.515 -10.603 1.142 1.00 0.00 H new ATOM 0 HG2 GLU A 21 47.317 -12.500 1.916 1.00 0.00 H new ATOM 0 HG3 GLU A 21 48.755 -13.496 2.021 1.00 0.00 H new ATOM 313 N ASN A 22 48.030 -10.610 -1.213 1.00 0.00 N ATOM 314 CA ASN A 22 47.673 -9.683 -2.329 1.00 0.00 C ATOM 315 C ASN A 22 46.795 -8.532 -1.818 1.00 0.00 C ATOM 316 O ASN A 22 45.616 -8.464 -2.112 1.00 0.00 O ATOM 317 CB ASN A 22 46.905 -10.547 -3.337 1.00 0.00 C ATOM 318 CG ASN A 22 45.663 -11.152 -2.671 1.00 0.00 C ATOM 319 OD1 ASN A 22 44.555 -10.714 -2.913 1.00 0.00 O ATOM 320 ND2 ASN A 22 45.804 -12.145 -1.835 1.00 0.00 N ATOM 0 H ASN A 22 47.306 -10.734 -0.505 1.00 0.00 H new ATOM 0 HA ASN A 22 48.555 -9.224 -2.776 1.00 0.00 H new ATOM 0 HB2 ASN A 22 46.610 -9.943 -4.195 1.00 0.00 H new ATOM 0 HB3 ASN A 22 47.550 -11.342 -3.713 1.00 0.00 H new ATOM 0 HD21 ASN A 22 44.985 -12.553 -1.385 1.00 0.00 H new ATOM 0 HD22 ASN A 22 46.734 -12.513 -1.632 1.00 0.00 H new ATOM 327 N ARG A 23 47.364 -7.627 -1.062 1.00 0.00 N ATOM 328 CA ARG A 23 46.570 -6.475 -0.537 1.00 0.00 C ATOM 329 C ARG A 23 46.632 -5.305 -1.525 1.00 0.00 C ATOM 330 O ARG A 23 47.519 -5.230 -2.352 1.00 0.00 O ATOM 331 CB ARG A 23 47.236 -6.102 0.788 1.00 0.00 C ATOM 332 CG ARG A 23 46.765 -7.062 1.883 1.00 0.00 C ATOM 333 CD ARG A 23 45.283 -6.817 2.181 1.00 0.00 C ATOM 334 NE ARG A 23 45.076 -7.349 3.557 1.00 0.00 N ATOM 335 CZ ARG A 23 43.888 -7.736 3.936 1.00 0.00 C ATOM 336 NH1 ARG A 23 42.955 -6.851 4.166 1.00 0.00 N ATOM 337 NH2 ARG A 23 43.633 -9.007 4.084 1.00 0.00 N ATOM 0 H ARG A 23 48.346 -7.637 -0.785 1.00 0.00 H new ATOM 0 HA ARG A 23 45.517 -6.722 -0.402 1.00 0.00 H new ATOM 0 HB2 ARG A 23 48.320 -6.150 0.689 1.00 0.00 H new ATOM 0 HB3 ARG A 23 46.986 -5.076 1.057 1.00 0.00 H new ATOM 0 HG2 ARG A 23 46.916 -8.094 1.565 1.00 0.00 H new ATOM 0 HG3 ARG A 23 47.357 -6.917 2.787 1.00 0.00 H new ATOM 0 HD2 ARG A 23 45.039 -5.756 2.127 1.00 0.00 H new ATOM 0 HD3 ARG A 23 44.645 -7.328 1.460 1.00 0.00 H new ATOM 0 HE ARG A 23 45.863 -7.411 4.203 1.00 0.00 H new ATOM 0 HH11 ARG A 23 43.155 -5.858 4.049 1.00 0.00 H new ATOM 0 HH12 ARG A 23 42.027 -7.153 4.462 1.00 0.00 H new ATOM 0 HH21 ARG A 23 44.362 -9.698 3.904 1.00 0.00 H new ATOM 0 HH22 ARG A 23 42.705 -9.310 4.380 1.00 0.00 H new ATOM 351 N PHE A 24 45.687 -4.403 -1.455 1.00 0.00 N ATOM 352 CA PHE A 24 45.678 -3.240 -2.394 1.00 0.00 C ATOM 353 C PHE A 24 46.401 -2.025 -1.794 1.00 0.00 C ATOM 354 O PHE A 24 45.965 -1.461 -0.809 1.00 0.00 O ATOM 355 CB PHE A 24 44.199 -2.934 -2.619 1.00 0.00 C ATOM 356 CG PHE A 24 43.655 -3.874 -3.666 1.00 0.00 C ATOM 357 CD1 PHE A 24 43.990 -3.690 -5.014 1.00 0.00 C ATOM 358 CD2 PHE A 24 42.823 -4.935 -3.290 1.00 0.00 C ATOM 359 CE1 PHE A 24 43.488 -4.564 -5.985 1.00 0.00 C ATOM 360 CE2 PHE A 24 42.322 -5.810 -4.261 1.00 0.00 C ATOM 361 CZ PHE A 24 42.655 -5.625 -5.609 1.00 0.00 C ATOM 0 H PHE A 24 44.918 -4.422 -0.785 1.00 0.00 H new ATOM 0 HA PHE A 24 46.202 -3.467 -3.322 1.00 0.00 H new ATOM 0 HB2 PHE A 24 43.645 -3.048 -1.687 1.00 0.00 H new ATOM 0 HB3 PHE A 24 44.073 -1.900 -2.940 1.00 0.00 H new ATOM 0 HD1 PHE A 24 44.635 -2.874 -5.304 1.00 0.00 H new ATOM 0 HD2 PHE A 24 42.568 -5.079 -2.251 1.00 0.00 H new ATOM 0 HE1 PHE A 24 43.743 -4.420 -7.025 1.00 0.00 H new ATOM 0 HE2 PHE A 24 41.679 -6.628 -3.971 1.00 0.00 H new ATOM 0 HZ PHE A 24 42.269 -6.301 -6.358 1.00 0.00 H new ATOM 371 N TYR A 25 47.492 -1.609 -2.394 1.00 0.00 N ATOM 372 CA TYR A 25 48.234 -0.416 -1.879 1.00 0.00 C ATOM 373 C TYR A 25 47.684 0.852 -2.549 1.00 0.00 C ATOM 374 O TYR A 25 47.391 0.856 -3.730 1.00 0.00 O ATOM 375 CB TYR A 25 49.702 -0.660 -2.277 1.00 0.00 C ATOM 376 CG TYR A 25 50.534 0.587 -2.051 1.00 0.00 C ATOM 377 CD1 TYR A 25 50.516 1.228 -0.806 1.00 0.00 C ATOM 378 CD2 TYR A 25 51.320 1.100 -3.091 1.00 0.00 C ATOM 379 CE1 TYR A 25 51.283 2.382 -0.602 1.00 0.00 C ATOM 380 CE2 TYR A 25 52.086 2.253 -2.886 1.00 0.00 C ATOM 381 CZ TYR A 25 52.068 2.894 -1.642 1.00 0.00 C ATOM 382 OH TYR A 25 52.824 4.031 -1.440 1.00 0.00 O ATOM 0 H TYR A 25 47.900 -2.046 -3.220 1.00 0.00 H new ATOM 0 HA TYR A 25 48.131 -0.281 -0.802 1.00 0.00 H new ATOM 0 HB2 TYR A 25 50.110 -1.486 -1.693 1.00 0.00 H new ATOM 0 HB3 TYR A 25 49.756 -0.954 -3.325 1.00 0.00 H new ATOM 0 HD1 TYR A 25 49.911 0.833 -0.004 1.00 0.00 H new ATOM 0 HD2 TYR A 25 51.335 0.606 -4.051 1.00 0.00 H new ATOM 0 HE1 TYR A 25 51.269 2.877 0.358 1.00 0.00 H new ATOM 0 HE2 TYR A 25 52.691 2.648 -3.688 1.00 0.00 H new ATOM 0 HH TYR A 25 53.310 4.251 -2.262 1.00 0.00 H new ATOM 392 N TYR A 26 47.558 1.926 -1.809 1.00 0.00 N ATOM 393 CA TYR A 26 47.043 3.193 -2.408 1.00 0.00 C ATOM 394 C TYR A 26 48.207 4.018 -2.962 1.00 0.00 C ATOM 395 O TYR A 26 49.048 4.492 -2.220 1.00 0.00 O ATOM 396 CB TYR A 26 46.356 3.940 -1.264 1.00 0.00 C ATOM 397 CG TYR A 26 45.731 5.205 -1.804 1.00 0.00 C ATOM 398 CD1 TYR A 26 44.630 5.126 -2.664 1.00 0.00 C ATOM 399 CD2 TYR A 26 46.256 6.455 -1.453 1.00 0.00 C ATOM 400 CE1 TYR A 26 44.055 6.295 -3.174 1.00 0.00 C ATOM 401 CE2 TYR A 26 45.679 7.624 -1.961 1.00 0.00 C ATOM 402 CZ TYR A 26 44.578 7.544 -2.822 1.00 0.00 C ATOM 403 OH TYR A 26 44.011 8.695 -3.325 1.00 0.00 O ATOM 0 H TYR A 26 47.790 1.979 -0.817 1.00 0.00 H new ATOM 0 HA TYR A 26 46.355 3.006 -3.233 1.00 0.00 H new ATOM 0 HB2 TYR A 26 45.593 3.309 -0.807 1.00 0.00 H new ATOM 0 HB3 TYR A 26 47.079 4.181 -0.485 1.00 0.00 H new ATOM 0 HD1 TYR A 26 44.224 4.162 -2.934 1.00 0.00 H new ATOM 0 HD2 TYR A 26 47.106 6.517 -0.790 1.00 0.00 H new ATOM 0 HE1 TYR A 26 43.207 6.233 -3.840 1.00 0.00 H new ATOM 0 HE2 TYR A 26 46.083 8.588 -1.689 1.00 0.00 H new ATOM 0 HH TYR A 26 44.494 9.475 -2.981 1.00 0.00 H new ATOM 413 N ASN A 27 48.258 4.195 -4.257 1.00 0.00 N ATOM 414 CA ASN A 27 49.365 4.994 -4.864 1.00 0.00 C ATOM 415 C ASN A 27 49.111 6.489 -4.650 1.00 0.00 C ATOM 416 O ASN A 27 48.147 7.040 -5.146 1.00 0.00 O ATOM 417 CB ASN A 27 49.335 4.650 -6.356 1.00 0.00 C ATOM 418 CG ASN A 27 50.767 4.509 -6.879 1.00 0.00 C ATOM 419 OD1 ASN A 27 51.650 5.234 -6.466 1.00 0.00 O ATOM 420 ND2 ASN A 27 51.034 3.602 -7.779 1.00 0.00 N ATOM 0 H ASN A 27 47.580 3.821 -4.921 1.00 0.00 H new ATOM 0 HA ASN A 27 50.333 4.768 -4.417 1.00 0.00 H new ATOM 0 HB2 ASN A 27 48.786 3.722 -6.515 1.00 0.00 H new ATOM 0 HB3 ASN A 27 48.810 5.429 -6.909 1.00 0.00 H new ATOM 0 HD21 ASN A 27 51.984 3.502 -8.136 1.00 0.00 H new ATOM 0 HD22 ASN A 27 50.292 2.993 -8.125 1.00 0.00 H new ATOM 427 N SER A 28 49.973 7.146 -3.915 1.00 0.00 N ATOM 428 CA SER A 28 49.792 8.610 -3.665 1.00 0.00 C ATOM 429 C SER A 28 50.205 9.435 -4.894 1.00 0.00 C ATOM 430 O SER A 28 50.085 10.647 -4.895 1.00 0.00 O ATOM 431 CB SER A 28 50.703 8.927 -2.479 1.00 0.00 C ATOM 432 OG SER A 28 50.428 8.019 -1.419 1.00 0.00 O ATOM 0 H SER A 28 50.795 6.732 -3.477 1.00 0.00 H new ATOM 0 HA SER A 28 48.750 8.858 -3.463 1.00 0.00 H new ATOM 0 HB2 SER A 28 51.748 8.849 -2.778 1.00 0.00 H new ATOM 0 HB3 SER A 28 50.542 9.952 -2.146 1.00 0.00 H new ATOM 0 HG SER A 28 51.112 8.111 -0.723 1.00 0.00 H new ATOM 438 N VAL A 29 50.687 8.799 -5.938 1.00 0.00 N ATOM 439 CA VAL A 29 51.099 9.556 -7.156 1.00 0.00 C ATOM 440 C VAL A 29 49.983 9.494 -8.203 1.00 0.00 C ATOM 441 O VAL A 29 49.499 10.510 -8.665 1.00 0.00 O ATOM 442 CB VAL A 29 52.358 8.845 -7.666 1.00 0.00 C ATOM 443 CG1 VAL A 29 52.883 9.559 -8.913 1.00 0.00 C ATOM 444 CG2 VAL A 29 53.439 8.867 -6.580 1.00 0.00 C ATOM 0 H VAL A 29 50.811 7.788 -5.995 1.00 0.00 H new ATOM 0 HA VAL A 29 51.290 10.609 -6.948 1.00 0.00 H new ATOM 0 HB VAL A 29 52.110 7.813 -7.913 1.00 0.00 H new ATOM 0 HG11 VAL A 29 53.778 9.051 -9.273 1.00 0.00 H new ATOM 0 HG12 VAL A 29 52.119 9.543 -9.690 1.00 0.00 H new ATOM 0 HG13 VAL A 29 53.127 10.592 -8.665 1.00 0.00 H new ATOM 0 HG21 VAL A 29 54.332 8.361 -6.946 1.00 0.00 H new ATOM 0 HG22 VAL A 29 53.683 9.900 -6.331 1.00 0.00 H new ATOM 0 HG23 VAL A 29 53.071 8.356 -5.690 1.00 0.00 H new ATOM 454 N ILE A 30 49.572 8.307 -8.574 1.00 0.00 N ATOM 455 CA ILE A 30 48.483 8.174 -9.590 1.00 0.00 C ATOM 456 C ILE A 30 47.111 8.122 -8.906 1.00 0.00 C ATOM 457 O ILE A 30 46.137 8.638 -9.422 1.00 0.00 O ATOM 458 CB ILE A 30 48.779 6.876 -10.360 1.00 0.00 C ATOM 459 CG1 ILE A 30 48.784 5.664 -9.417 1.00 0.00 C ATOM 460 CG2 ILE A 30 50.149 6.993 -11.032 1.00 0.00 C ATOM 461 CD1 ILE A 30 48.833 4.378 -10.245 1.00 0.00 C ATOM 0 H ILE A 30 49.943 7.426 -8.218 1.00 0.00 H new ATOM 0 HA ILE A 30 48.455 9.028 -10.266 1.00 0.00 H new ATOM 0 HB ILE A 30 47.999 6.731 -11.107 1.00 0.00 H new ATOM 0 HG12 ILE A 30 49.644 5.713 -8.749 1.00 0.00 H new ATOM 0 HG13 ILE A 30 47.892 5.673 -8.790 1.00 0.00 H new ATOM 0 HG21 ILE A 30 50.365 6.076 -11.580 1.00 0.00 H new ATOM 0 HG22 ILE A 30 50.144 7.836 -11.723 1.00 0.00 H new ATOM 0 HG23 ILE A 30 50.915 7.151 -10.272 1.00 0.00 H new ATOM 0 HD11 ILE A 30 48.837 3.516 -9.578 1.00 0.00 H new ATOM 0 HD12 ILE A 30 47.959 4.330 -10.895 1.00 0.00 H new ATOM 0 HD13 ILE A 30 49.738 4.371 -10.852 1.00 0.00 H new ATOM 473 N GLY A 31 47.025 7.506 -7.755 1.00 0.00 N ATOM 474 CA GLY A 31 45.717 7.419 -7.037 1.00 0.00 C ATOM 475 C GLY A 31 45.174 5.998 -7.161 1.00 0.00 C ATOM 476 O GLY A 31 44.556 5.475 -6.254 1.00 0.00 O ATOM 0 H GLY A 31 47.808 7.057 -7.279 1.00 0.00 H new ATOM 0 HA2 GLY A 31 45.846 7.682 -5.987 1.00 0.00 H new ATOM 0 HA3 GLY A 31 45.008 8.131 -7.459 1.00 0.00 H new ATOM 480 N LYS A 32 45.412 5.372 -8.283 1.00 0.00 N ATOM 481 CA LYS A 32 44.928 3.971 -8.495 1.00 0.00 C ATOM 482 C LYS A 32 45.523 3.050 -7.411 1.00 0.00 C ATOM 483 O LYS A 32 46.708 3.085 -7.138 1.00 0.00 O ATOM 484 CB LYS A 32 45.405 3.622 -9.932 1.00 0.00 C ATOM 485 CG LYS A 32 45.878 2.162 -10.064 1.00 0.00 C ATOM 486 CD LYS A 32 44.704 1.206 -9.809 1.00 0.00 C ATOM 487 CE LYS A 32 44.643 0.153 -10.920 1.00 0.00 C ATOM 488 NZ LYS A 32 44.357 -1.130 -10.219 1.00 0.00 N ATOM 0 H LYS A 32 45.925 5.772 -9.069 1.00 0.00 H new ATOM 0 HA LYS A 32 43.848 3.850 -8.410 1.00 0.00 H new ATOM 0 HB2 LYS A 32 44.590 3.800 -10.634 1.00 0.00 H new ATOM 0 HB3 LYS A 32 46.219 4.290 -10.212 1.00 0.00 H new ATOM 0 HG2 LYS A 32 46.287 1.992 -11.060 1.00 0.00 H new ATOM 0 HG3 LYS A 32 46.680 1.965 -9.352 1.00 0.00 H new ATOM 0 HD2 LYS A 32 44.822 0.720 -8.841 1.00 0.00 H new ATOM 0 HD3 LYS A 32 43.769 1.765 -9.773 1.00 0.00 H new ATOM 0 HE2 LYS A 32 43.864 0.389 -11.645 1.00 0.00 H new ATOM 0 HE3 LYS A 32 45.584 0.102 -11.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 44.117 -1.861 -10.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 45.197 -1.427 -9.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 43.558 -0.999 -9.567 1.00 0.00 H new ATOM 502 N CYS A 33 44.704 2.228 -6.805 1.00 0.00 N ATOM 503 CA CYS A 33 45.210 1.300 -5.749 1.00 0.00 C ATOM 504 C CYS A 33 45.838 0.063 -6.401 1.00 0.00 C ATOM 505 O CYS A 33 45.147 -0.784 -6.935 1.00 0.00 O ATOM 506 CB CYS A 33 43.973 0.915 -4.932 1.00 0.00 C ATOM 507 SG CYS A 33 44.431 0.718 -3.190 1.00 0.00 S ATOM 0 H CYS A 33 43.705 2.160 -6.997 1.00 0.00 H new ATOM 0 HA CYS A 33 45.978 1.756 -5.125 1.00 0.00 H new ATOM 0 HB2 CYS A 33 43.206 1.683 -5.032 1.00 0.00 H new ATOM 0 HB3 CYS A 33 43.547 -0.013 -5.314 1.00 0.00 H new ATOM 512 N ARG A 34 47.144 -0.038 -6.372 1.00 0.00 N ATOM 513 CA ARG A 34 47.826 -1.211 -7.002 1.00 0.00 C ATOM 514 C ARG A 34 47.992 -2.362 -5.981 1.00 0.00 C ATOM 515 O ARG A 34 48.400 -2.114 -4.864 1.00 0.00 O ATOM 516 CB ARG A 34 49.195 -0.679 -7.429 1.00 0.00 C ATOM 517 CG ARG A 34 49.065 0.056 -8.764 1.00 0.00 C ATOM 518 CD ARG A 34 50.447 0.197 -9.410 1.00 0.00 C ATOM 519 NE ARG A 34 50.181 0.423 -10.860 1.00 0.00 N ATOM 520 CZ ARG A 34 51.163 0.372 -11.718 1.00 0.00 C ATOM 521 NH1 ARG A 34 52.301 0.949 -11.444 1.00 0.00 N ATOM 522 NH2 ARG A 34 51.005 -0.256 -12.851 1.00 0.00 N ATOM 0 H ARG A 34 47.768 0.642 -5.939 1.00 0.00 H new ATOM 0 HA ARG A 34 47.256 -1.616 -7.838 1.00 0.00 H new ATOM 0 HB2 ARG A 34 49.588 -0.005 -6.668 1.00 0.00 H new ATOM 0 HB3 ARG A 34 49.903 -1.502 -7.523 1.00 0.00 H new ATOM 0 HG2 ARG A 34 48.396 -0.491 -9.428 1.00 0.00 H new ATOM 0 HG3 ARG A 34 48.624 1.040 -8.607 1.00 0.00 H new ATOM 0 HD2 ARG A 34 51.001 1.030 -8.977 1.00 0.00 H new ATOM 0 HD3 ARG A 34 51.047 -0.700 -9.255 1.00 0.00 H new ATOM 0 HE ARG A 34 49.232 0.617 -11.181 1.00 0.00 H new ATOM 0 HH11 ARG A 34 52.424 1.440 -10.559 1.00 0.00 H new ATOM 0 HH12 ARG A 34 53.068 0.909 -12.115 1.00 0.00 H new ATOM 0 HH21 ARG A 34 50.115 -0.706 -13.065 1.00 0.00 H new ATOM 0 HH22 ARG A 34 51.772 -0.297 -13.523 1.00 0.00 H new ATOM 536 N PRO A 35 47.678 -3.595 -6.374 1.00 0.00 N ATOM 537 CA PRO A 35 47.820 -4.739 -5.435 1.00 0.00 C ATOM 538 C PRO A 35 49.296 -5.018 -5.128 1.00 0.00 C ATOM 539 O PRO A 35 50.137 -4.995 -6.008 1.00 0.00 O ATOM 540 CB PRO A 35 47.203 -5.904 -6.222 1.00 0.00 C ATOM 541 CG PRO A 35 46.734 -5.385 -7.592 1.00 0.00 C ATOM 542 CD PRO A 35 47.167 -3.921 -7.735 1.00 0.00 C ATOM 0 HA PRO A 35 47.344 -4.564 -4.470 1.00 0.00 H new ATOM 0 HB2 PRO A 35 47.935 -6.701 -6.351 1.00 0.00 H new ATOM 0 HB3 PRO A 35 46.363 -6.328 -5.672 1.00 0.00 H new ATOM 0 HG2 PRO A 35 47.165 -5.987 -8.392 1.00 0.00 H new ATOM 0 HG3 PRO A 35 45.651 -5.469 -7.678 1.00 0.00 H new ATOM 0 HD2 PRO A 35 47.937 -3.799 -8.496 1.00 0.00 H new ATOM 0 HD3 PRO A 35 46.334 -3.278 -8.019 1.00 0.00 H new ATOM 550 N PHE A 36 49.610 -5.299 -3.888 1.00 0.00 N ATOM 551 CA PHE A 36 51.026 -5.603 -3.520 1.00 0.00 C ATOM 552 C PHE A 36 51.081 -6.885 -2.676 1.00 0.00 C ATOM 553 O PHE A 36 50.062 -7.390 -2.240 1.00 0.00 O ATOM 554 CB PHE A 36 51.525 -4.374 -2.735 1.00 0.00 C ATOM 555 CG PHE A 36 50.867 -4.290 -1.371 1.00 0.00 C ATOM 556 CD1 PHE A 36 49.556 -3.819 -1.250 1.00 0.00 C ATOM 557 CD2 PHE A 36 51.577 -4.682 -0.230 1.00 0.00 C ATOM 558 CE1 PHE A 36 48.953 -3.740 0.011 1.00 0.00 C ATOM 559 CE2 PHE A 36 50.975 -4.603 1.031 1.00 0.00 C ATOM 560 CZ PHE A 36 49.663 -4.131 1.151 1.00 0.00 C ATOM 0 H PHE A 36 48.946 -5.331 -3.114 1.00 0.00 H new ATOM 0 HA PHE A 36 51.656 -5.781 -4.391 1.00 0.00 H new ATOM 0 HB2 PHE A 36 52.607 -4.430 -2.617 1.00 0.00 H new ATOM 0 HB3 PHE A 36 51.312 -3.467 -3.301 1.00 0.00 H new ATOM 0 HD1 PHE A 36 49.008 -3.516 -2.130 1.00 0.00 H new ATOM 0 HD2 PHE A 36 52.590 -5.046 -0.323 1.00 0.00 H new ATOM 0 HE1 PHE A 36 47.940 -3.377 0.104 1.00 0.00 H new ATOM 0 HE2 PHE A 36 51.523 -4.906 1.911 1.00 0.00 H new ATOM 0 HZ PHE A 36 49.199 -4.069 2.124 1.00 0.00 H new ATOM 570 N LYS A 37 52.256 -7.412 -2.448 1.00 0.00 N ATOM 571 CA LYS A 37 52.371 -8.661 -1.637 1.00 0.00 C ATOM 572 C LYS A 37 52.589 -8.319 -0.160 1.00 0.00 C ATOM 573 O LYS A 37 53.693 -8.038 0.265 1.00 0.00 O ATOM 574 CB LYS A 37 53.582 -9.398 -2.210 1.00 0.00 C ATOM 575 CG LYS A 37 53.119 -10.341 -3.322 1.00 0.00 C ATOM 576 CD LYS A 37 54.337 -10.851 -4.100 1.00 0.00 C ATOM 577 CE LYS A 37 53.942 -11.113 -5.555 1.00 0.00 C ATOM 578 NZ LYS A 37 54.099 -9.799 -6.239 1.00 0.00 N ATOM 0 H LYS A 37 53.140 -7.032 -2.788 1.00 0.00 H new ATOM 0 HA LYS A 37 51.468 -9.269 -1.686 1.00 0.00 H new ATOM 0 HB2 LYS A 37 54.306 -8.683 -2.601 1.00 0.00 H new ATOM 0 HB3 LYS A 37 54.084 -9.962 -1.424 1.00 0.00 H new ATOM 0 HG2 LYS A 37 52.569 -11.180 -2.896 1.00 0.00 H new ATOM 0 HG3 LYS A 37 52.437 -9.821 -3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 37 55.142 -10.117 -4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 37 54.715 -11.766 -3.645 1.00 0.00 H new ATOM 0 HE2 LYS A 37 54.581 -11.872 -6.007 1.00 0.00 H new ATOM 0 HE3 LYS A 37 52.916 -11.475 -5.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 53.846 -9.898 -7.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 53.474 -9.098 -5.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 55.087 -9.483 -6.160 1.00 0.00 H new ATOM 592 N TYR A 38 51.539 -8.347 0.618 1.00 0.00 N ATOM 593 CA TYR A 38 51.662 -8.032 2.075 1.00 0.00 C ATOM 594 C TYR A 38 52.113 -9.281 2.836 1.00 0.00 C ATOM 595 O TYR A 38 52.044 -10.381 2.323 1.00 0.00 O ATOM 596 CB TYR A 38 50.254 -7.612 2.502 1.00 0.00 C ATOM 597 CG TYR A 38 50.258 -7.184 3.950 1.00 0.00 C ATOM 598 CD1 TYR A 38 51.161 -6.209 4.395 1.00 0.00 C ATOM 599 CD2 TYR A 38 49.352 -7.760 4.850 1.00 0.00 C ATOM 600 CE1 TYR A 38 51.159 -5.813 5.737 1.00 0.00 C ATOM 601 CE2 TYR A 38 49.350 -7.362 6.191 1.00 0.00 C ATOM 602 CZ TYR A 38 50.252 -6.390 6.636 1.00 0.00 C ATOM 603 OH TYR A 38 50.248 -5.998 7.959 1.00 0.00 O ATOM 0 H TYR A 38 50.595 -8.576 0.306 1.00 0.00 H new ATOM 0 HA TYR A 38 52.396 -7.252 2.280 1.00 0.00 H new ATOM 0 HB2 TYR A 38 49.904 -6.793 1.873 1.00 0.00 H new ATOM 0 HB3 TYR A 38 49.560 -8.441 2.361 1.00 0.00 H new ATOM 0 HD1 TYR A 38 51.859 -5.763 3.702 1.00 0.00 H new ATOM 0 HD2 TYR A 38 48.655 -8.511 4.509 1.00 0.00 H new ATOM 0 HE1 TYR A 38 51.856 -5.063 6.080 1.00 0.00 H new ATOM 0 HE2 TYR A 38 48.651 -7.806 6.884 1.00 0.00 H new ATOM 0 HH TYR A 38 49.557 -6.495 8.445 1.00 0.00 H new ATOM 613 N SER A 39 52.576 -9.124 4.052 1.00 0.00 N ATOM 614 CA SER A 39 53.034 -10.310 4.838 1.00 0.00 C ATOM 615 C SER A 39 51.953 -10.737 5.838 1.00 0.00 C ATOM 616 O SER A 39 51.578 -11.893 5.902 1.00 0.00 O ATOM 617 CB SER A 39 54.306 -9.847 5.559 1.00 0.00 C ATOM 618 OG SER A 39 53.962 -9.190 6.773 1.00 0.00 O ATOM 0 H SER A 39 52.656 -8.228 4.533 1.00 0.00 H new ATOM 0 HA SER A 39 53.227 -11.176 4.205 1.00 0.00 H new ATOM 0 HB2 SER A 39 54.948 -10.703 5.768 1.00 0.00 H new ATOM 0 HB3 SER A 39 54.873 -9.172 4.918 1.00 0.00 H new ATOM 0 HG SER A 39 54.057 -9.815 7.522 1.00 0.00 H new ATOM 624 N GLY A 40 51.455 -9.812 6.619 1.00 0.00 N ATOM 625 CA GLY A 40 50.402 -10.153 7.620 1.00 0.00 C ATOM 626 C GLY A 40 51.016 -10.199 9.023 1.00 0.00 C ATOM 627 O GLY A 40 50.516 -10.877 9.902 1.00 0.00 O ATOM 0 H GLY A 40 51.735 -8.831 6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 40 49.602 -9.413 7.587 1.00 0.00 H new ATOM 0 HA3 GLY A 40 49.955 -11.117 7.377 1.00 0.00 H new ATOM 631 N CYS A 41 52.094 -9.486 9.239 1.00 0.00 N ATOM 632 CA CYS A 41 52.741 -9.488 10.586 1.00 0.00 C ATOM 633 C CYS A 41 53.057 -8.052 11.020 1.00 0.00 C ATOM 634 O CYS A 41 54.205 -7.652 11.088 1.00 0.00 O ATOM 635 CB CYS A 41 54.033 -10.294 10.410 1.00 0.00 C ATOM 636 SG CYS A 41 53.637 -11.982 9.886 1.00 0.00 S ATOM 0 H CYS A 41 52.553 -8.903 8.540 1.00 0.00 H new ATOM 0 HA CYS A 41 52.097 -9.919 11.353 1.00 0.00 H new ATOM 0 HB2 CYS A 41 54.673 -9.815 9.670 1.00 0.00 H new ATOM 0 HB3 CYS A 41 54.590 -10.315 11.347 1.00 0.00 H new ATOM 641 N GLY A 42 52.043 -7.277 11.311 1.00 0.00 N ATOM 642 CA GLY A 42 52.271 -5.865 11.738 1.00 0.00 C ATOM 643 C GLY A 42 51.792 -4.918 10.637 1.00 0.00 C ATOM 644 O GLY A 42 50.605 -4.729 10.444 1.00 0.00 O ATOM 0 H GLY A 42 51.065 -7.563 11.271 1.00 0.00 H new ATOM 0 HA2 GLY A 42 51.735 -5.663 12.665 1.00 0.00 H new ATOM 0 HA3 GLY A 42 53.330 -5.701 11.939 1.00 0.00 H new ATOM 648 N GLY A 43 52.706 -4.323 9.914 1.00 0.00 N ATOM 649 CA GLY A 43 52.312 -3.388 8.818 1.00 0.00 C ATOM 650 C GLY A 43 51.559 -2.193 9.408 1.00 0.00 C ATOM 651 O GLY A 43 51.400 -2.080 10.609 1.00 0.00 O ATOM 0 H GLY A 43 53.711 -4.445 10.036 1.00 0.00 H new ATOM 0 HA2 GLY A 43 53.198 -3.045 8.283 1.00 0.00 H new ATOM 0 HA3 GLY A 43 51.683 -3.905 8.094 1.00 0.00 H new ATOM 655 N ASN A 44 51.094 -1.303 8.568 1.00 0.00 N ATOM 656 CA ASN A 44 50.348 -0.109 9.066 1.00 0.00 C ATOM 657 C ASN A 44 48.853 -0.435 9.176 1.00 0.00 C ATOM 658 O ASN A 44 48.473 -1.579 9.334 1.00 0.00 O ATOM 659 CB ASN A 44 50.595 0.984 8.015 1.00 0.00 C ATOM 660 CG ASN A 44 51.142 2.243 8.695 1.00 0.00 C ATOM 661 OD1 ASN A 44 50.871 2.487 9.854 1.00 0.00 O ATOM 662 ND2 ASN A 44 51.906 3.056 8.018 1.00 0.00 N ATOM 0 H ASN A 44 51.200 -1.353 7.555 1.00 0.00 H new ATOM 0 HA ASN A 44 50.677 0.206 10.056 1.00 0.00 H new ATOM 0 HB2 ASN A 44 51.302 0.628 7.266 1.00 0.00 H new ATOM 0 HB3 ASN A 44 49.667 1.216 7.493 1.00 0.00 H new ATOM 0 HD21 ASN A 44 52.276 3.897 8.462 1.00 0.00 H new ATOM 0 HD22 ASN A 44 52.133 2.851 7.045 1.00 0.00 H new ATOM 669 N GLU A 45 48.008 0.563 9.099 1.00 0.00 N ATOM 670 CA GLU A 45 46.537 0.313 9.203 1.00 0.00 C ATOM 671 C GLU A 45 45.830 0.714 7.903 1.00 0.00 C ATOM 672 O GLU A 45 44.658 1.043 7.906 1.00 0.00 O ATOM 673 CB GLU A 45 46.067 1.191 10.368 1.00 0.00 C ATOM 674 CG GLU A 45 45.114 0.394 11.263 1.00 0.00 C ATOM 675 CD GLU A 45 43.765 0.232 10.560 1.00 0.00 C ATOM 676 OE1 GLU A 45 43.678 -0.602 9.673 1.00 0.00 O ATOM 677 OE2 GLU A 45 42.842 0.944 10.920 1.00 0.00 O ATOM 0 H GLU A 45 48.273 1.539 8.969 1.00 0.00 H new ATOM 0 HA GLU A 45 46.310 -0.740 9.368 1.00 0.00 H new ATOM 0 HB2 GLU A 45 46.925 1.533 10.947 1.00 0.00 H new ATOM 0 HB3 GLU A 45 45.565 2.080 9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 45 45.540 -0.585 11.484 1.00 0.00 H new ATOM 0 HG3 GLU A 45 44.980 0.906 12.216 1.00 0.00 H new ATOM 684 N ASN A 46 46.528 0.684 6.795 1.00 0.00 N ATOM 685 CA ASN A 46 45.892 1.057 5.494 1.00 0.00 C ATOM 686 C ASN A 46 45.892 -0.146 4.546 1.00 0.00 C ATOM 687 O ASN A 46 46.037 -0.003 3.347 1.00 0.00 O ATOM 688 CB ASN A 46 46.758 2.185 4.927 1.00 0.00 C ATOM 689 CG ASN A 46 45.906 3.071 4.016 1.00 0.00 C ATOM 690 OD1 ASN A 46 44.756 3.330 4.308 1.00 0.00 O ATOM 691 ND2 ASN A 46 46.427 3.556 2.923 1.00 0.00 N ATOM 0 H ASN A 46 47.511 0.417 6.735 1.00 0.00 H new ATOM 0 HA ASN A 46 44.855 1.369 5.619 1.00 0.00 H new ATOM 0 HB2 ASN A 46 47.179 2.778 5.739 1.00 0.00 H new ATOM 0 HB3 ASN A 46 47.596 1.769 4.368 1.00 0.00 H new ATOM 0 HD21 ASN A 46 45.868 4.153 2.313 1.00 0.00 H new ATOM 0 HD22 ASN A 46 47.393 3.338 2.678 1.00 0.00 H new ATOM 698 N ASN A 47 45.731 -1.328 5.082 1.00 0.00 N ATOM 699 CA ASN A 47 45.722 -2.551 4.225 1.00 0.00 C ATOM 700 C ASN A 47 44.329 -2.775 3.632 1.00 0.00 C ATOM 701 O ASN A 47 43.465 -3.358 4.260 1.00 0.00 O ATOM 702 CB ASN A 47 46.095 -3.697 5.167 1.00 0.00 C ATOM 703 CG ASN A 47 47.617 -3.834 5.229 1.00 0.00 C ATOM 704 OD1 ASN A 47 48.155 -4.886 4.948 1.00 0.00 O ATOM 705 ND2 ASN A 47 48.338 -2.807 5.586 1.00 0.00 N ATOM 0 H ASN A 47 45.605 -1.499 6.080 1.00 0.00 H new ATOM 0 HA ASN A 47 46.413 -2.471 3.386 1.00 0.00 H new ATOM 0 HB2 ASN A 47 45.696 -3.507 6.163 1.00 0.00 H new ATOM 0 HB3 ASN A 47 45.650 -4.628 4.817 1.00 0.00 H new ATOM 0 HD21 ASN A 47 49.354 -2.887 5.629 1.00 0.00 H new ATOM 0 HD22 ASN A 47 47.886 -1.924 5.822 1.00 0.00 H new ATOM 712 N PHE A 48 44.108 -2.319 2.424 1.00 0.00 N ATOM 713 CA PHE A 48 42.773 -2.504 1.778 1.00 0.00 C ATOM 714 C PHE A 48 42.707 -3.869 1.089 1.00 0.00 C ATOM 715 O PHE A 48 43.680 -4.335 0.525 1.00 0.00 O ATOM 716 CB PHE A 48 42.671 -1.383 0.744 1.00 0.00 C ATOM 717 CG PHE A 48 42.685 -0.045 1.442 1.00 0.00 C ATOM 718 CD1 PHE A 48 41.637 0.309 2.300 1.00 0.00 C ATOM 719 CD2 PHE A 48 43.746 0.843 1.230 1.00 0.00 C ATOM 720 CE1 PHE A 48 41.650 1.550 2.945 1.00 0.00 C ATOM 721 CE2 PHE A 48 43.759 2.084 1.875 1.00 0.00 C ATOM 722 CZ PHE A 48 42.711 2.437 2.732 1.00 0.00 C ATOM 0 H PHE A 48 44.797 -1.825 1.856 1.00 0.00 H new ATOM 0 HA PHE A 48 41.958 -2.468 2.501 1.00 0.00 H new ATOM 0 HB2 PHE A 48 43.502 -1.446 0.041 1.00 0.00 H new ATOM 0 HB3 PHE A 48 41.754 -1.492 0.164 1.00 0.00 H new ATOM 0 HD1 PHE A 48 40.818 -0.376 2.464 1.00 0.00 H new ATOM 0 HD2 PHE A 48 44.555 0.570 0.568 1.00 0.00 H new ATOM 0 HE1 PHE A 48 40.842 1.823 3.607 1.00 0.00 H new ATOM 0 HE2 PHE A 48 44.578 2.769 1.712 1.00 0.00 H new ATOM 0 HZ PHE A 48 42.721 3.395 3.230 1.00 0.00 H new ATOM 732 N THR A 49 41.567 -4.511 1.130 1.00 0.00 N ATOM 733 CA THR A 49 41.431 -5.848 0.475 1.00 0.00 C ATOM 734 C THR A 49 40.574 -5.743 -0.793 1.00 0.00 C ATOM 735 O THR A 49 40.025 -6.724 -1.260 1.00 0.00 O ATOM 736 CB THR A 49 40.744 -6.737 1.520 1.00 0.00 C ATOM 737 OG1 THR A 49 40.552 -8.035 0.978 1.00 0.00 O ATOM 738 CG2 THR A 49 39.385 -6.143 1.914 1.00 0.00 C ATOM 0 H THR A 49 40.724 -4.167 1.589 1.00 0.00 H new ATOM 0 HA THR A 49 42.395 -6.252 0.167 1.00 0.00 H new ATOM 0 HB THR A 49 41.375 -6.794 2.407 1.00 0.00 H new ATOM 0 HG1 THR A 49 40.372 -7.965 0.017 1.00 0.00 H new ATOM 0 HG21 THR A 49 38.909 -6.784 2.656 1.00 0.00 H new ATOM 0 HG22 THR A 49 39.531 -5.148 2.334 1.00 0.00 H new ATOM 0 HG23 THR A 49 38.748 -6.074 1.032 1.00 0.00 H new ATOM 746 N SER A 50 40.456 -4.562 -1.355 1.00 0.00 N ATOM 747 CA SER A 50 39.638 -4.390 -2.595 1.00 0.00 C ATOM 748 C SER A 50 39.844 -2.986 -3.168 1.00 0.00 C ATOM 749 O SER A 50 40.063 -2.036 -2.439 1.00 0.00 O ATOM 750 CB SER A 50 38.186 -4.575 -2.146 1.00 0.00 C ATOM 751 OG SER A 50 37.760 -5.893 -2.466 1.00 0.00 O ATOM 0 H SER A 50 40.893 -3.709 -1.006 1.00 0.00 H new ATOM 0 HA SER A 50 39.916 -5.100 -3.374 1.00 0.00 H new ATOM 0 HB2 SER A 50 38.100 -4.403 -1.073 1.00 0.00 H new ATOM 0 HB3 SER A 50 37.545 -3.844 -2.638 1.00 0.00 H new ATOM 0 HG SER A 50 38.422 -6.539 -2.141 1.00 0.00 H new ATOM 757 N LYS A 51 39.774 -2.849 -4.468 1.00 0.00 N ATOM 758 CA LYS A 51 39.964 -1.505 -5.094 1.00 0.00 C ATOM 759 C LYS A 51 38.746 -0.621 -4.818 1.00 0.00 C ATOM 760 O LYS A 51 38.870 0.571 -4.606 1.00 0.00 O ATOM 761 CB LYS A 51 40.104 -1.771 -6.594 1.00 0.00 C ATOM 762 CG LYS A 51 40.968 -0.679 -7.226 1.00 0.00 C ATOM 763 CD LYS A 51 40.821 -0.725 -8.747 1.00 0.00 C ATOM 764 CE LYS A 51 39.454 -0.162 -9.146 1.00 0.00 C ATOM 765 NZ LYS A 51 39.708 1.269 -9.473 1.00 0.00 N ATOM 0 H LYS A 51 39.593 -3.610 -5.123 1.00 0.00 H new ATOM 0 HA LYS A 51 40.835 -0.986 -4.694 1.00 0.00 H new ATOM 0 HB2 LYS A 51 40.556 -2.749 -6.760 1.00 0.00 H new ATOM 0 HB3 LYS A 51 39.121 -1.790 -7.064 1.00 0.00 H new ATOM 0 HG2 LYS A 51 40.667 0.299 -6.851 1.00 0.00 H new ATOM 0 HG3 LYS A 51 42.012 -0.820 -6.947 1.00 0.00 H new ATOM 0 HD2 LYS A 51 41.616 -0.146 -9.217 1.00 0.00 H new ATOM 0 HD3 LYS A 51 40.921 -1.751 -9.102 1.00 0.00 H new ATOM 0 HE2 LYS A 51 39.042 -0.696 -10.002 1.00 0.00 H new ATOM 0 HE3 LYS A 51 38.734 -0.260 -8.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 38.817 1.724 -9.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 40.093 1.753 -8.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 40.391 1.331 -10.254 1.00 0.00 H new ATOM 779 N GLN A 52 37.572 -1.200 -4.813 1.00 0.00 N ATOM 780 CA GLN A 52 36.340 -0.397 -4.545 1.00 0.00 C ATOM 781 C GLN A 52 36.386 0.161 -3.120 1.00 0.00 C ATOM 782 O GLN A 52 35.899 1.243 -2.853 1.00 0.00 O ATOM 783 CB GLN A 52 35.173 -1.374 -4.704 1.00 0.00 C ATOM 784 CG GLN A 52 34.767 -1.445 -6.177 1.00 0.00 C ATOM 785 CD GLN A 52 35.845 -2.190 -6.968 1.00 0.00 C ATOM 786 OE1 GLN A 52 36.121 -3.342 -6.704 1.00 0.00 O ATOM 787 NE2 GLN A 52 36.473 -1.573 -7.931 1.00 0.00 N ATOM 0 H GLN A 52 37.413 -2.193 -4.983 1.00 0.00 H new ATOM 0 HA GLN A 52 36.244 0.452 -5.222 1.00 0.00 H new ATOM 0 HB2 GLN A 52 35.461 -2.363 -4.347 1.00 0.00 H new ATOM 0 HB3 GLN A 52 34.327 -1.050 -4.098 1.00 0.00 H new ATOM 0 HG2 GLN A 52 33.809 -1.956 -6.277 1.00 0.00 H new ATOM 0 HG3 GLN A 52 34.636 -0.440 -6.578 1.00 0.00 H new ATOM 0 HE21 GLN A 52 36.241 -0.605 -8.153 1.00 0.00 H new ATOM 0 HE22 GLN A 52 37.196 -2.059 -8.462 1.00 0.00 H new ATOM 796 N GLU A 53 36.977 -0.569 -2.208 1.00 0.00 N ATOM 797 CA GLU A 53 37.070 -0.086 -0.798 1.00 0.00 C ATOM 798 C GLU A 53 38.257 0.870 -0.651 1.00 0.00 C ATOM 799 O GLU A 53 38.193 1.849 0.070 1.00 0.00 O ATOM 800 CB GLU A 53 37.287 -1.345 0.044 1.00 0.00 C ATOM 801 CG GLU A 53 36.815 -1.086 1.477 1.00 0.00 C ATOM 802 CD GLU A 53 36.210 -2.367 2.057 1.00 0.00 C ATOM 803 OE1 GLU A 53 35.093 -2.690 1.687 1.00 0.00 O ATOM 804 OE2 GLU A 53 36.875 -3.001 2.859 1.00 0.00 O ATOM 0 H GLU A 53 37.400 -1.481 -2.380 1.00 0.00 H new ATOM 0 HA GLU A 53 36.178 0.458 -0.487 1.00 0.00 H new ATOM 0 HB2 GLU A 53 36.737 -2.182 -0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.342 -1.621 0.041 1.00 0.00 H new ATOM 0 HG2 GLU A 53 37.652 -0.756 2.092 1.00 0.00 H new ATOM 0 HG3 GLU A 53 36.076 -0.285 1.488 1.00 0.00 H new ATOM 811 N CYS A 54 39.341 0.594 -1.338 1.00 0.00 N ATOM 812 CA CYS A 54 40.543 1.486 -1.253 1.00 0.00 C ATOM 813 C CYS A 54 40.161 2.914 -1.654 1.00 0.00 C ATOM 814 O CYS A 54 40.494 3.869 -0.978 1.00 0.00 O ATOM 815 CB CYS A 54 41.555 0.899 -2.243 1.00 0.00 C ATOM 816 SG CYS A 54 43.095 1.853 -2.184 1.00 0.00 S ATOM 0 H CYS A 54 39.445 -0.212 -1.955 1.00 0.00 H new ATOM 0 HA CYS A 54 40.952 1.534 -0.244 1.00 0.00 H new ATOM 0 HB2 CYS A 54 41.753 -0.145 -1.999 1.00 0.00 H new ATOM 0 HB3 CYS A 54 41.143 0.918 -3.252 1.00 0.00 H new ATOM 821 N LEU A 55 39.457 3.057 -2.747 1.00 0.00 N ATOM 822 CA LEU A 55 39.038 4.416 -3.200 1.00 0.00 C ATOM 823 C LEU A 55 37.926 4.944 -2.293 1.00 0.00 C ATOM 824 O LEU A 55 37.946 6.083 -1.880 1.00 0.00 O ATOM 825 CB LEU A 55 38.522 4.221 -4.630 1.00 0.00 C ATOM 826 CG LEU A 55 39.688 4.321 -5.614 1.00 0.00 C ATOM 827 CD1 LEU A 55 39.234 3.845 -6.996 1.00 0.00 C ATOM 828 CD2 LEU A 55 40.154 5.775 -5.706 1.00 0.00 C ATOM 0 H LEU A 55 39.154 2.289 -3.346 1.00 0.00 H new ATOM 0 HA LEU A 55 39.854 5.138 -3.162 1.00 0.00 H new ATOM 0 HB2 LEU A 55 38.037 3.249 -4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 55 37.771 4.976 -4.863 1.00 0.00 H new ATOM 0 HG LEU A 55 40.510 3.696 -5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 55 40.066 3.917 -7.697 1.00 0.00 H new ATOM 0 HD12 LEU A 55 38.901 2.809 -6.933 1.00 0.00 H new ATOM 0 HD13 LEU A 55 38.412 4.470 -7.344 1.00 0.00 H new ATOM 0 HD21 LEU A 55 40.985 5.847 -6.407 1.00 0.00 H new ATOM 0 HD22 LEU A 55 39.331 6.400 -6.053 1.00 0.00 H new ATOM 0 HD23 LEU A 55 40.478 6.116 -4.723 1.00 0.00 H new ATOM 840 N ARG A 56 36.963 4.118 -1.977 1.00 0.00 N ATOM 841 CA ARG A 56 35.838 4.565 -1.091 1.00 0.00 C ATOM 842 C ARG A 56 36.361 5.080 0.257 1.00 0.00 C ATOM 843 O ARG A 56 35.656 5.766 0.975 1.00 0.00 O ATOM 844 CB ARG A 56 34.976 3.319 -0.875 1.00 0.00 C ATOM 845 CG ARG A 56 33.934 3.219 -1.991 1.00 0.00 C ATOM 846 CD ARG A 56 32.941 2.097 -1.670 1.00 0.00 C ATOM 847 NE ARG A 56 32.119 1.935 -2.904 1.00 0.00 N ATOM 848 CZ ARG A 56 31.060 1.168 -2.891 1.00 0.00 C ATOM 849 NH1 ARG A 56 31.109 -0.007 -2.323 1.00 0.00 N ATOM 850 NH2 ARG A 56 29.954 1.576 -3.450 1.00 0.00 N ATOM 0 H ARG A 56 36.904 3.150 -2.293 1.00 0.00 H new ATOM 0 HA ARG A 56 35.281 5.385 -1.544 1.00 0.00 H new ATOM 0 HB2 ARG A 56 35.603 2.427 -0.867 1.00 0.00 H new ATOM 0 HB3 ARG A 56 34.482 3.370 0.095 1.00 0.00 H new ATOM 0 HG2 ARG A 56 33.406 4.167 -2.095 1.00 0.00 H new ATOM 0 HG3 ARG A 56 34.425 3.022 -2.944 1.00 0.00 H new ATOM 0 HD2 ARG A 56 33.460 1.172 -1.419 1.00 0.00 H new ATOM 0 HD3 ARG A 56 32.318 2.356 -0.814 1.00 0.00 H new ATOM 0 HE ARG A 56 32.383 2.423 -3.760 1.00 0.00 H new ATOM 0 HH11 ARG A 56 31.974 -0.328 -1.889 1.00 0.00 H new ATOM 0 HH12 ARG A 56 30.282 -0.604 -2.314 1.00 0.00 H new ATOM 0 HH21 ARG A 56 29.916 2.492 -3.897 1.00 0.00 H new ATOM 0 HH22 ARG A 56 29.127 0.979 -3.441 1.00 0.00 H new ATOM 864 N ALA A 57 37.579 4.744 0.614 1.00 0.00 N ATOM 865 CA ALA A 57 38.127 5.203 1.923 1.00 0.00 C ATOM 866 C ALA A 57 39.089 6.389 1.760 1.00 0.00 C ATOM 867 O ALA A 57 38.883 7.436 2.347 1.00 0.00 O ATOM 868 CB ALA A 57 38.875 3.992 2.475 1.00 0.00 C ATOM 0 H ALA A 57 38.213 4.173 0.054 1.00 0.00 H new ATOM 0 HA ALA A 57 37.333 5.552 2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 57 39.312 4.244 3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 57 38.181 3.160 2.596 1.00 0.00 H new ATOM 0 HB3 ALA A 57 39.667 3.707 1.782 1.00 0.00 H new ATOM 874 N CYS A 58 40.154 6.228 1.005 1.00 0.00 N ATOM 875 CA CYS A 58 41.145 7.346 0.858 1.00 0.00 C ATOM 876 C CYS A 58 40.579 8.517 0.034 1.00 0.00 C ATOM 877 O CYS A 58 40.919 9.657 0.290 1.00 0.00 O ATOM 878 CB CYS A 58 42.375 6.728 0.177 1.00 0.00 C ATOM 879 SG CYS A 58 43.870 7.594 0.739 1.00 0.00 S ATOM 0 H CYS A 58 40.378 5.378 0.488 1.00 0.00 H new ATOM 0 HA CYS A 58 41.395 7.772 1.829 1.00 0.00 H new ATOM 0 HB2 CYS A 58 42.443 5.667 0.417 1.00 0.00 H new ATOM 0 HB3 CYS A 58 42.282 6.804 -0.906 1.00 0.00 H new ATOM 884 N LYS A 59 39.726 8.270 -0.944 1.00 0.00 N ATOM 885 CA LYS A 59 39.168 9.417 -1.750 1.00 0.00 C ATOM 886 C LYS A 59 38.505 10.443 -0.823 1.00 0.00 C ATOM 887 O LYS A 59 38.936 11.578 -0.716 1.00 0.00 O ATOM 888 CB LYS A 59 38.114 8.817 -2.682 1.00 0.00 C ATOM 889 CG LYS A 59 38.796 8.030 -3.803 1.00 0.00 C ATOM 890 CD LYS A 59 39.134 8.977 -4.960 1.00 0.00 C ATOM 891 CE LYS A 59 37.857 9.322 -5.736 1.00 0.00 C ATOM 892 NZ LYS A 59 38.216 9.152 -7.172 1.00 0.00 N ATOM 0 H LYS A 59 39.397 7.343 -1.215 1.00 0.00 H new ATOM 0 HA LYS A 59 39.957 9.924 -2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 59 37.449 8.162 -2.119 1.00 0.00 H new ATOM 0 HB3 LYS A 59 37.497 9.610 -3.106 1.00 0.00 H new ATOM 0 HG2 LYS A 59 39.704 7.557 -3.429 1.00 0.00 H new ATOM 0 HG3 LYS A 59 38.141 7.232 -4.152 1.00 0.00 H new ATOM 0 HD2 LYS A 59 39.594 9.887 -4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 59 39.860 8.509 -5.625 1.00 0.00 H new ATOM 0 HE2 LYS A 59 37.035 8.664 -5.455 1.00 0.00 H new ATOM 0 HE3 LYS A 59 37.534 10.342 -5.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 37.390 9.371 -7.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 38.996 9.796 -7.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 38.513 8.170 -7.342 1.00 0.00 H new ATOM 906 N LYS A 60 37.460 10.039 -0.151 1.00 0.00 N ATOM 907 CA LYS A 60 36.748 10.961 0.780 1.00 0.00 C ATOM 908 C LYS A 60 35.902 10.150 1.764 1.00 0.00 C ATOM 909 O LYS A 60 34.880 10.606 2.240 1.00 0.00 O ATOM 910 CB LYS A 60 35.855 11.820 -0.117 1.00 0.00 C ATOM 911 CG LYS A 60 35.725 13.230 0.473 1.00 0.00 C ATOM 912 CD LYS A 60 36.625 14.198 -0.302 1.00 0.00 C ATOM 913 CE LYS A 60 35.916 14.652 -1.580 1.00 0.00 C ATOM 914 NZ LYS A 60 34.924 15.668 -1.130 1.00 0.00 N ATOM 0 H LYS A 60 37.066 9.100 -0.208 1.00 0.00 H new ATOM 0 HA LYS A 60 37.433 11.570 1.370 1.00 0.00 H new ATOM 0 HB2 LYS A 60 36.277 11.874 -1.121 1.00 0.00 H new ATOM 0 HB3 LYS A 60 34.870 11.363 -0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 60 34.688 13.562 0.422 1.00 0.00 H new ATOM 0 HG3 LYS A 60 36.005 13.221 1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 60 36.865 15.062 0.318 1.00 0.00 H new ATOM 0 HD3 LYS A 60 37.568 13.712 -0.551 1.00 0.00 H new ATOM 0 HE2 LYS A 60 36.622 15.078 -2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 60 35.426 13.815 -2.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 33.987 15.433 -1.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 34.880 15.674 -0.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 35.211 16.608 -1.470 1.00 0.00 H new ATOM 928 N GLY A 61 36.325 8.948 2.068 1.00 0.00 N ATOM 929 CA GLY A 61 35.558 8.092 3.023 1.00 0.00 C ATOM 930 C GLY A 61 35.939 8.469 4.455 1.00 0.00 C ATOM 931 O GLY A 61 36.279 9.620 4.673 1.00 0.00 O ATOM 932 OXT GLY A 61 35.887 7.600 5.311 1.00 0.00 O ATOM 0 H GLY A 61 37.173 8.522 1.694 1.00 0.00 H new ATOM 0 HA2 GLY A 61 34.487 8.227 2.871 1.00 0.00 H new ATOM 0 HA3 GLY A 61 35.775 7.039 2.841 1.00 0.00 H new TER 936 GLY A 61