USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 389 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 5 GLN : amide:sc= 0.276 K(o=0.47,f=-0.89) USER MOD Set 1.2: A 15 GLN : amide:sc= 0.19 K(o=0.47,f=-0.11) USER MOD Single : A 1 GLY N :NH3+ -148:sc= 0.938 (180deg=0.323) USER MOD Single : A 8 THR OG1 : rot -29:sc= 0.0334 USER MOD Single : A 9 SER OG : rot -29:sc= 1.28 USER MOD Single : A 12 SER OG : rot -170:sc= -0.183 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc=-0.00957 X(o=-0.0096,f=-0.2) USER MOD Single : A 19 TYR OH : rot 22:sc= -0.0773 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : B 1 PHE N :NH3+ -110:sc= 0.0887 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.139 K(o=-0.14,f=-1.4) USER MOD Single : B 4 GLN : amide:sc= -0.633 K(o=-0.63,f=-2.4) USER MOD Single : B 5 HIS : no HD1:sc= -2.18 K(o=-2.2,f=-6.8!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 27 THR OG1 : rot 53:sc= 0.193 USER MOD Single : B 29 LYS NZ :NH3+ -134:sc= 0.636 (180deg=-0.123) USER MOD Single : B 30 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.577 -0.859 -0.957 1.00 25.00 N ATOM 2 CA GLY A 1 1.482 0.554 -1.414 1.00 25.00 C ATOM 3 C GLY A 1 1.028 0.645 -2.850 1.00 25.00 C ATOM 4 O GLY A 1 1.200 -0.308 -3.599 1.00 25.00 O ATOM 0 H1 GLY A 1 1.352 -0.912 0.057 1.00 25.00 H new ATOM 0 H2 GLY A 1 0.903 -1.443 -1.492 1.00 25.00 H new ATOM 0 H3 GLY A 1 2.542 -1.211 -1.117 1.00 25.00 H new ATOM 0 HA2 GLY A 1 0.784 1.097 -0.776 1.00 25.00 H new ATOM 0 HA3 GLY A 1 2.453 1.037 -1.308 1.00 25.00 H new ATOM 10 N ILE A 2 0.437 1.767 -3.243 1.00 25.00 N ATOM 11 CA ILE A 2 -0.137 1.913 -4.588 1.00 25.00 C ATOM 12 C ILE A 2 0.899 1.810 -5.721 1.00 25.00 C ATOM 13 O ILE A 2 0.626 1.220 -6.761 1.00 25.00 O ATOM 14 CB ILE A 2 -0.947 3.246 -4.680 1.00 25.00 C ATOM 15 CG1 ILE A 2 -1.865 3.211 -5.912 1.00 25.00 C ATOM 16 CG2 ILE A 2 -0.005 4.494 -4.669 1.00 25.00 C ATOM 17 CD1 ILE A 2 -2.854 4.362 -5.982 1.00 25.00 C ATOM 0 H ILE A 2 0.339 2.594 -2.653 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.809 1.067 -4.736 1.00 25.00 H new ATOM 0 HB ILE A 2 -1.577 3.340 -3.795 1.00 25.00 H new ATOM 0 HG12 ILE A 2 -1.249 3.220 -6.811 1.00 25.00 H new ATOM 0 HG13 ILE A 2 -2.417 2.271 -5.914 1.00 25.00 H new ATOM 0 HG21 ILE A 2 -0.604 5.402 -4.734 1.00 25.00 H new ATOM 0 HG22 ILE A 2 0.573 4.506 -3.745 1.00 25.00 H new ATOM 0 HG23 ILE A 2 0.674 4.445 -5.520 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -3.464 4.264 -6.880 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -3.498 4.343 -5.102 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -2.311 5.307 -6.014 1.00 25.00 H new ATOM 29 N VAL A 3 2.103 2.322 -5.507 1.00 25.00 N ATOM 30 CA VAL A 3 3.138 2.247 -6.536 1.00 25.00 C ATOM 31 C VAL A 3 3.562 0.797 -6.748 1.00 25.00 C ATOM 32 O VAL A 3 3.777 0.373 -7.871 1.00 25.00 O ATOM 33 CB VAL A 3 4.346 3.186 -6.211 1.00 25.00 C ATOM 34 CG1 VAL A 3 4.995 2.836 -4.858 1.00 25.00 C ATOM 35 CG2 VAL A 3 5.379 3.151 -7.339 1.00 25.00 C ATOM 0 H VAL A 3 2.387 2.788 -4.645 1.00 25.00 H new ATOM 0 HA VAL A 3 2.722 2.610 -7.476 1.00 25.00 H new ATOM 0 HB VAL A 3 3.959 4.202 -6.131 1.00 25.00 H new ATOM 0 HG11 VAL A 3 5.830 3.511 -4.669 1.00 25.00 H new ATOM 0 HG12 VAL A 3 4.257 2.940 -4.063 1.00 25.00 H new ATOM 0 HG13 VAL A 3 5.358 1.808 -4.883 1.00 25.00 H new ATOM 0 HG21 VAL A 3 6.210 3.811 -7.092 1.00 25.00 H new ATOM 0 HG22 VAL A 3 5.749 2.133 -7.463 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.915 3.484 -8.268 1.00 25.00 H new ATOM 45 N GLU A 4 3.599 0.005 -5.684 1.00 25.00 N ATOM 46 CA GLU A 4 3.943 -1.405 -5.816 1.00 25.00 C ATOM 47 C GLU A 4 2.872 -2.110 -6.619 1.00 25.00 C ATOM 48 O GLU A 4 3.185 -2.887 -7.505 1.00 25.00 O ATOM 49 CB GLU A 4 4.067 -2.070 -4.448 1.00 25.00 C ATOM 50 CG GLU A 4 5.325 -1.692 -3.700 1.00 25.00 C ATOM 51 CD GLU A 4 5.204 -1.925 -2.223 1.00 25.00 C ATOM 52 OE1 GLU A 4 4.351 -1.410 -1.533 1.00 25.00 O ATOM 53 OE2 GLU A 4 6.083 -2.734 -1.755 1.00 25.00 O ATOM 0 H GLU A 4 3.398 0.310 -4.732 1.00 25.00 H new ATOM 0 HA GLU A 4 4.904 -1.478 -6.324 1.00 25.00 H new ATOM 0 HB2 GLU A 4 3.201 -1.801 -3.843 1.00 25.00 H new ATOM 0 HB3 GLU A 4 4.043 -3.152 -4.576 1.00 25.00 H new ATOM 0 HG2 GLU A 4 6.163 -2.270 -4.089 1.00 25.00 H new ATOM 0 HG3 GLU A 4 5.551 -0.641 -3.882 1.00 25.00 H new ATOM 61 N GLN A 5 1.614 -1.807 -6.328 1.00 25.00 N ATOM 62 CA GLN A 5 0.498 -2.415 -7.043 1.00 25.00 C ATOM 63 C GLN A 5 0.624 -2.151 -8.538 1.00 25.00 C ATOM 64 O GLN A 5 0.483 -3.062 -9.336 1.00 25.00 O ATOM 65 CB GLN A 5 -0.829 -1.843 -6.533 1.00 25.00 C ATOM 66 CG GLN A 5 -2.067 -2.507 -7.131 1.00 25.00 C ATOM 67 CD GLN A 5 -3.347 -1.824 -6.697 1.00 25.00 C ATOM 68 OE1 GLN A 5 -3.340 -0.671 -6.284 1.00 25.00 O ATOM 69 NE2 GLN A 5 -4.447 -2.521 -6.798 1.00 25.00 N ATOM 0 H GLN A 5 1.340 -1.144 -5.602 1.00 25.00 H new ATOM 0 HA GLN A 5 0.518 -3.490 -6.866 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -0.863 -1.946 -5.448 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -0.860 -0.776 -6.753 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -1.998 -2.488 -8.219 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -2.096 -3.555 -6.831 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -4.414 -3.479 -7.147 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -5.339 -2.107 -6.528 1.00 25.00 H new ATOM 78 N CYS A 6 0.904 -0.915 -8.916 1.00 25.00 N ATOM 79 CA CYS A 6 0.994 -0.572 -10.331 1.00 25.00 C ATOM 80 C CYS A 6 2.247 -1.124 -11.003 1.00 25.00 C ATOM 81 O CYS A 6 2.207 -1.485 -12.180 1.00 25.00 O ATOM 82 CB CYS A 6 0.929 0.942 -10.509 1.00 25.00 C ATOM 83 SG CYS A 6 -0.785 1.554 -10.396 1.00 25.00 S ATOM 0 H CYS A 6 1.071 -0.139 -8.275 1.00 25.00 H new ATOM 0 HA CYS A 6 0.142 -1.042 -10.822 1.00 25.00 H new ATOM 0 HB2 CYS A 6 1.540 1.426 -9.747 1.00 25.00 H new ATOM 0 HB3 CYS A 6 1.351 1.214 -11.476 1.00 25.00 H new ATOM 88 N CYS A 7 3.347 -1.204 -10.268 1.00 25.00 N ATOM 89 CA CYS A 7 4.590 -1.719 -10.829 1.00 25.00 C ATOM 90 C CYS A 7 4.540 -3.234 -11.029 1.00 25.00 C ATOM 91 O CYS A 7 4.860 -3.733 -12.103 1.00 25.00 O ATOM 92 CB CYS A 7 5.772 -1.378 -9.914 1.00 25.00 C ATOM 93 SG CYS A 7 6.222 0.389 -9.924 1.00 25.00 S ATOM 0 H CYS A 7 3.406 -0.922 -9.290 1.00 25.00 H new ATOM 0 HA CYS A 7 4.721 -1.244 -11.802 1.00 25.00 H new ATOM 0 HB2 CYS A 7 5.528 -1.676 -8.894 1.00 25.00 H new ATOM 0 HB3 CYS A 7 6.638 -1.966 -10.219 1.00 25.00 H new ATOM 98 N THR A 8 4.206 -3.965 -9.973 1.00 25.00 N ATOM 99 CA THR A 8 4.276 -5.430 -10.003 1.00 25.00 C ATOM 100 C THR A 8 3.006 -6.102 -10.517 1.00 25.00 C ATOM 101 O THR A 8 3.022 -7.279 -10.869 1.00 25.00 O ATOM 102 CB THR A 8 4.647 -5.997 -8.601 1.00 25.00 C ATOM 103 OG1 THR A 8 5.207 -7.302 -8.750 1.00 25.00 O ATOM 104 CG2 THR A 8 3.443 -6.103 -7.667 1.00 25.00 C ATOM 0 H THR A 8 3.885 -3.575 -9.087 1.00 25.00 H new ATOM 0 HA THR A 8 5.063 -5.668 -10.719 1.00 25.00 H new ATOM 0 HB THR A 8 5.360 -5.301 -8.159 1.00 25.00 H new ATOM 0 HG1 THR A 8 4.837 -7.727 -9.552 1.00 25.00 H new ATOM 0 HG21 THR A 8 3.763 -6.504 -6.705 1.00 25.00 H new ATOM 0 HG22 THR A 8 3.008 -5.114 -7.521 1.00 25.00 H new ATOM 0 HG23 THR A 8 2.698 -6.766 -8.107 1.00 25.00 H new ATOM 112 N SER A 9 1.901 -5.372 -10.562 1.00 25.00 N ATOM 113 CA SER A 9 0.638 -5.945 -11.012 1.00 25.00 C ATOM 114 C SER A 9 -0.157 -4.899 -11.774 1.00 25.00 C ATOM 115 O SER A 9 0.390 -3.880 -12.178 1.00 25.00 O ATOM 116 CB SER A 9 -0.159 -6.504 -9.825 1.00 25.00 C ATOM 117 OG SER A 9 -0.623 -5.471 -8.972 1.00 25.00 O ATOM 0 H SER A 9 1.851 -4.389 -10.295 1.00 25.00 H new ATOM 0 HA SER A 9 0.843 -6.778 -11.685 1.00 25.00 H new ATOM 0 HB2 SER A 9 -1.008 -7.079 -10.195 1.00 25.00 H new ATOM 0 HB3 SER A 9 0.468 -7.191 -9.257 1.00 25.00 H new ATOM 0 HG SER A 9 -0.006 -4.711 -9.013 1.00 25.00 H new ATOM 123 N ILE A 10 -1.371 -5.236 -12.172 1.00 25.00 N ATOM 124 CA ILE A 10 -2.093 -4.413 -13.136 1.00 25.00 C ATOM 125 C ILE A 10 -2.484 -3.061 -12.546 1.00 25.00 C ATOM 126 O ILE A 10 -3.203 -2.971 -11.554 1.00 25.00 O ATOM 127 CB ILE A 10 -3.349 -5.165 -13.677 1.00 25.00 C ATOM 128 CG1 ILE A 10 -2.921 -6.429 -14.459 1.00 25.00 C ATOM 129 CG2 ILE A 10 -4.208 -4.240 -14.557 1.00 25.00 C ATOM 130 CD1 ILE A 10 -2.265 -6.162 -15.825 1.00 25.00 C ATOM 0 H ILE A 10 -1.875 -6.062 -11.850 1.00 25.00 H new ATOM 0 HA ILE A 10 -1.419 -4.222 -13.971 1.00 25.00 H new ATOM 0 HB ILE A 10 -3.958 -5.474 -12.827 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -2.224 -6.999 -13.844 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -3.799 -7.057 -14.612 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -5.077 -4.788 -14.921 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -4.539 -3.384 -13.970 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -3.617 -3.892 -15.404 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -2.001 -7.110 -16.294 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -2.963 -5.623 -16.465 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -1.365 -5.564 -15.686 1.00 25.00 H new ATOM 142 N CYS A 11 -2.010 -2.009 -13.200 1.00 25.00 N ATOM 143 CA CYS A 11 -2.382 -0.646 -12.866 1.00 25.00 C ATOM 144 C CYS A 11 -3.553 -0.326 -13.783 1.00 25.00 C ATOM 145 O CYS A 11 -3.623 -0.856 -14.894 1.00 25.00 O ATOM 146 CB CYS A 11 -1.214 0.295 -13.162 1.00 25.00 C ATOM 147 SG CYS A 11 -1.299 1.919 -12.332 1.00 25.00 S ATOM 0 H CYS A 11 -1.355 -2.080 -13.979 1.00 25.00 H new ATOM 0 HA CYS A 11 -2.639 -0.530 -11.813 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -0.287 -0.198 -12.868 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -1.162 0.457 -14.239 1.00 25.00 H new ATOM 152 N SER A 12 -4.458 0.530 -13.345 1.00 25.00 N ATOM 153 CA SER A 12 -5.608 0.908 -14.157 1.00 25.00 C ATOM 154 C SER A 12 -5.874 2.376 -13.937 1.00 25.00 C ATOM 155 O SER A 12 -5.336 2.961 -12.997 1.00 25.00 O ATOM 156 CB SER A 12 -6.837 0.089 -13.758 1.00 25.00 C ATOM 157 OG SER A 12 -7.248 0.422 -12.444 1.00 25.00 O ATOM 0 H SER A 12 -4.422 0.979 -12.430 1.00 25.00 H new ATOM 0 HA SER A 12 -5.400 0.713 -15.209 1.00 25.00 H new ATOM 0 HB2 SER A 12 -7.650 0.277 -14.459 1.00 25.00 H new ATOM 0 HB3 SER A 12 -6.607 -0.975 -13.815 1.00 25.00 H new ATOM 0 HG SER A 12 -7.930 -0.214 -12.144 1.00 25.00 H new ATOM 163 N LEU A 13 -6.713 2.965 -14.777 1.00 25.00 N ATOM 164 CA LEU A 13 -7.030 4.389 -14.674 1.00 25.00 C ATOM 165 C LEU A 13 -7.587 4.761 -13.296 1.00 25.00 C ATOM 166 O LEU A 13 -7.298 5.827 -12.785 1.00 25.00 O ATOM 167 CB LEU A 13 -8.003 4.798 -15.791 1.00 25.00 C ATOM 168 CG LEU A 13 -9.423 4.205 -15.745 1.00 25.00 C ATOM 169 CD1 LEU A 13 -10.414 5.248 -15.255 1.00 25.00 C ATOM 170 CD2 LEU A 13 -9.835 3.700 -17.119 1.00 25.00 C ATOM 0 H LEU A 13 -7.189 2.482 -15.539 1.00 25.00 H new ATOM 0 HA LEU A 13 -6.100 4.943 -14.796 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -8.091 5.884 -15.780 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -7.554 4.524 -16.746 1.00 25.00 H new ATOM 0 HG LEU A 13 -9.422 3.365 -15.051 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -11.414 4.815 -15.227 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -10.133 5.575 -14.254 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -10.407 6.103 -15.932 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -10.841 3.284 -17.067 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -9.820 4.526 -17.830 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -9.140 2.927 -17.446 1.00 25.00 H new ATOM 182 N TYR A 14 -8.325 3.855 -12.675 1.00 25.00 N ATOM 183 CA TYR A 14 -8.911 4.115 -11.362 1.00 25.00 C ATOM 184 C TYR A 14 -7.830 4.258 -10.298 1.00 25.00 C ATOM 185 O TYR A 14 -7.894 5.132 -9.443 1.00 25.00 O ATOM 186 CB TYR A 14 -9.855 2.971 -10.995 1.00 25.00 C ATOM 187 CG TYR A 14 -10.791 2.608 -12.124 1.00 25.00 C ATOM 188 CD1 TYR A 14 -11.911 3.412 -12.422 1.00 25.00 C ATOM 189 CD2 TYR A 14 -10.557 1.462 -12.913 1.00 25.00 C ATOM 190 CE1 TYR A 14 -12.783 3.075 -13.493 1.00 25.00 C ATOM 191 CE2 TYR A 14 -11.421 1.131 -13.991 1.00 25.00 C ATOM 192 CZ TYR A 14 -12.524 1.942 -14.268 1.00 25.00 C ATOM 193 OH TYR A 14 -13.354 1.617 -15.310 1.00 25.00 O ATOM 0 H TYR A 14 -8.535 2.932 -13.056 1.00 25.00 H new ATOM 0 HA TYR A 14 -9.466 5.052 -11.407 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -9.268 2.095 -10.718 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -10.440 3.253 -10.119 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.108 4.293 -11.830 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -9.710 0.828 -12.695 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.643 3.693 -13.707 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -11.226 0.256 -14.594 1.00 25.00 H new ATOM 0 HH TYR A 14 -13.029 0.801 -15.745 1.00 25.00 H new ATOM 203 N GLN A 15 -6.806 3.421 -10.378 1.00 25.00 N ATOM 204 CA GLN A 15 -5.701 3.492 -9.427 1.00 25.00 C ATOM 205 C GLN A 15 -4.906 4.757 -9.692 1.00 25.00 C ATOM 206 O GLN A 15 -4.482 5.439 -8.775 1.00 25.00 O ATOM 207 CB GLN A 15 -4.783 2.273 -9.554 1.00 25.00 C ATOM 208 CG GLN A 15 -5.507 0.940 -9.431 1.00 25.00 C ATOM 209 CD GLN A 15 -6.413 0.866 -8.217 1.00 25.00 C ATOM 210 OE1 GLN A 15 -7.620 0.952 -8.343 1.00 25.00 O ATOM 211 NE2 GLN A 15 -5.844 0.710 -7.051 1.00 25.00 N ATOM 0 H GLN A 15 -6.715 2.690 -11.084 1.00 25.00 H new ATOM 0 HA GLN A 15 -6.108 3.504 -8.416 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -4.275 2.312 -10.518 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -4.012 2.329 -8.785 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -6.099 0.771 -10.330 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -4.772 0.137 -9.378 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -4.828 0.642 -6.984 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -6.415 0.656 -6.208 1.00 25.00 H new ATOM 220 N LEU A 16 -4.735 5.069 -10.966 1.00 25.00 N ATOM 221 CA LEU A 16 -4.002 6.261 -11.387 1.00 25.00 C ATOM 222 C LEU A 16 -4.652 7.554 -10.873 1.00 25.00 C ATOM 223 O LEU A 16 -3.951 8.467 -10.472 1.00 25.00 O ATOM 224 CB LEU A 16 -3.850 6.275 -12.910 1.00 25.00 C ATOM 225 CG LEU A 16 -2.862 5.214 -13.433 1.00 25.00 C ATOM 226 CD1 LEU A 16 -3.041 4.985 -14.920 1.00 25.00 C ATOM 227 CD2 LEU A 16 -1.417 5.616 -13.168 1.00 25.00 C ATOM 0 H LEU A 16 -5.097 4.509 -11.738 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.009 6.218 -10.939 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -4.826 6.110 -13.367 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -3.513 7.262 -13.226 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.080 4.292 -12.894 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -2.331 4.232 -15.260 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.057 4.641 -15.115 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -2.865 5.918 -15.456 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -0.749 4.844 -13.550 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -1.204 6.561 -13.669 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -1.262 5.731 -12.095 1.00 25.00 H new ATOM 239 N GLU A 17 -5.977 7.615 -10.829 1.00 25.00 N ATOM 240 CA GLU A 17 -6.674 8.794 -10.289 1.00 25.00 C ATOM 241 C GLU A 17 -6.252 9.112 -8.850 1.00 25.00 C ATOM 242 O GLU A 17 -6.162 10.271 -8.473 1.00 25.00 O ATOM 243 CB GLU A 17 -8.190 8.560 -10.293 1.00 25.00 C ATOM 244 CG GLU A 17 -8.828 8.603 -11.667 1.00 25.00 C ATOM 245 CD GLU A 17 -10.256 8.137 -11.652 1.00 25.00 C ATOM 246 OE1 GLU A 17 -10.655 7.202 -12.292 1.00 25.00 O ATOM 247 OE2 GLU A 17 -11.022 8.844 -10.882 1.00 25.00 O ATOM 0 H GLU A 17 -6.594 6.872 -11.156 1.00 25.00 H new ATOM 0 HA GLU A 17 -6.404 9.634 -10.930 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -8.397 7.590 -9.840 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -8.663 9.313 -9.663 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -8.786 9.622 -12.052 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -8.253 7.979 -12.351 1.00 25.00 H new ATOM 255 N ASN A 18 -5.984 8.078 -8.066 1.00 25.00 N ATOM 256 CA ASN A 18 -5.614 8.234 -6.652 1.00 25.00 C ATOM 257 C ASN A 18 -4.272 8.946 -6.448 1.00 25.00 C ATOM 258 O ASN A 18 -4.019 9.501 -5.389 1.00 25.00 O ATOM 259 CB ASN A 18 -5.594 6.880 -5.948 1.00 25.00 C ATOM 260 CG ASN A 18 -6.948 6.220 -5.924 1.00 25.00 C ATOM 261 OD1 ASN A 18 -7.945 6.841 -5.617 1.00 25.00 O ATOM 262 ND2 ASN A 18 -6.987 4.961 -6.257 1.00 25.00 N ATOM 0 H ASN A 18 -6.014 7.109 -8.382 1.00 25.00 H new ATOM 0 HA ASN A 18 -6.380 8.870 -6.210 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.883 6.224 -6.450 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -5.240 7.011 -4.926 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.877 4.463 -6.266 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -6.127 4.473 -6.509 1.00 25.00 H new ATOM 269 N TYR A 19 -3.378 8.847 -7.425 1.00 25.00 N ATOM 270 CA TYR A 19 -2.059 9.489 -7.333 1.00 25.00 C ATOM 271 C TYR A 19 -2.186 11.015 -7.401 1.00 25.00 C ATOM 272 O TYR A 19 -1.271 11.738 -7.013 1.00 25.00 O ATOM 273 CB TYR A 19 -1.186 9.060 -8.503 1.00 25.00 C ATOM 274 CG TYR A 19 -0.645 7.656 -8.426 1.00 25.00 C ATOM 275 CD1 TYR A 19 -1.436 6.560 -8.799 1.00 25.00 C ATOM 276 CD2 TYR A 19 0.677 7.417 -8.005 1.00 25.00 C ATOM 277 CE1 TYR A 19 -0.920 5.247 -8.775 1.00 25.00 C ATOM 278 CE2 TYR A 19 1.197 6.101 -7.973 1.00 25.00 C ATOM 279 CZ TYR A 19 0.392 5.032 -8.368 1.00 25.00 C ATOM 280 OH TYR A 19 0.889 3.760 -8.355 1.00 25.00 O ATOM 0 H TYR A 19 -3.536 8.331 -8.291 1.00 25.00 H new ATOM 0 HA TYR A 19 -1.618 9.189 -6.383 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.765 9.158 -9.421 1.00 25.00 H new ATOM 0 HB3 TYR A 19 -0.346 9.751 -8.580 1.00 25.00 H new ATOM 0 HD1 TYR A 19 -2.457 6.724 -9.110 1.00 25.00 H new ATOM 0 HD2 TYR A 19 1.300 8.246 -7.704 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -1.540 4.414 -9.071 1.00 25.00 H new ATOM 0 HE2 TYR A 19 2.211 5.925 -7.645 1.00 25.00 H new ATOM 0 HH TYR A 19 0.360 3.196 -8.958 1.00 25.00 H new ATOM 290 N CYS A 20 -3.294 11.504 -7.941 1.00 25.00 N ATOM 291 CA CYS A 20 -3.509 12.938 -8.065 1.00 25.00 C ATOM 292 C CYS A 20 -4.031 13.486 -6.739 1.00 25.00 C ATOM 293 O CYS A 20 -4.690 12.791 -5.977 1.00 25.00 O ATOM 294 CB CYS A 20 -4.525 13.238 -9.169 1.00 25.00 C ATOM 295 SG CYS A 20 -4.044 12.625 -10.817 1.00 25.00 S ATOM 0 H CYS A 20 -4.057 10.929 -8.300 1.00 25.00 H new ATOM 0 HA CYS A 20 -2.562 13.413 -8.321 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -5.483 12.796 -8.895 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -4.676 14.316 -9.225 1.00 25.00 H new ATOM 300 N ASN A 21 -3.753 14.764 -6.466 1.00 25.00 N ATOM 301 CA ASN A 21 -4.236 15.410 -5.236 1.00 25.00 C ATOM 302 C ASN A 21 -5.758 15.542 -5.226 1.00 25.00 C ATOM 303 O ASN A 21 -6.406 16.087 -6.094 1.00 25.00 O ATOM 304 CB ASN A 21 -3.588 16.791 -5.030 1.00 25.00 C ATOM 305 CG ASN A 21 -4.002 17.343 -3.696 1.00 25.00 C ATOM 306 OD1 ASN A 21 -3.816 16.773 -2.654 1.00 25.00 O ATOM 307 ND2 ASN A 21 -4.599 18.525 -3.716 1.00 25.00 N ATOM 308 OXT ASN A 21 -6.318 15.038 -4.177 1.00 25.00 O ATOM 0 H ASN A 21 -3.201 15.370 -7.073 1.00 25.00 H new ATOM 0 HA ASN A 21 -3.943 14.763 -4.409 1.00 25.00 H new ATOM 0 HB2 ASN A 21 -2.502 16.706 -5.080 1.00 25.00 H new ATOM 0 HB3 ASN A 21 -3.892 17.470 -5.827 1.00 25.00 H new ATOM 0 HD21 ASN A 21 -4.904 18.957 -2.844 1.00 25.00 H new ATOM 0 HD22 ASN A 21 -4.754 19.003 -4.604 1.00 25.00 H new TER 316 ASN A 21 ATOM 317 N PHE B 1 -9.024 3.206 -22.614 1.00 25.00 N ATOM 318 CA PHE B 1 -7.783 2.962 -21.826 1.00 25.00 C ATOM 319 C PHE B 1 -7.432 1.486 -21.867 1.00 25.00 C ATOM 320 O PHE B 1 -8.325 0.667 -21.998 1.00 25.00 O ATOM 321 CB PHE B 1 -8.006 3.412 -20.375 1.00 25.00 C ATOM 322 CG PHE B 1 -6.739 3.507 -19.565 1.00 25.00 C ATOM 323 CD1 PHE B 1 -5.964 4.683 -19.588 1.00 25.00 C ATOM 324 CD2 PHE B 1 -6.311 2.424 -18.774 1.00 25.00 C ATOM 325 CE1 PHE B 1 -4.764 4.775 -18.839 1.00 25.00 C ATOM 326 CE2 PHE B 1 -5.114 2.505 -18.021 1.00 25.00 C ATOM 327 CZ PHE B 1 -4.340 3.680 -18.060 1.00 25.00 C ATOM 0 H1 PHE B 1 -8.788 3.731 -23.480 1.00 25.00 H new ATOM 0 H2 PHE B 1 -9.458 2.296 -22.869 1.00 25.00 H new ATOM 0 H3 PHE B 1 -9.694 3.761 -22.044 1.00 25.00 H new ATOM 0 HA PHE B 1 -6.959 3.531 -22.256 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -8.498 4.385 -20.378 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -8.686 2.713 -19.888 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -6.288 5.524 -20.183 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -6.902 1.521 -18.741 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -4.177 5.681 -18.865 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -4.796 1.667 -17.418 1.00 25.00 H new ATOM 0 HZ PHE B 1 -3.422 3.742 -17.494 1.00 25.00 H new ATOM 339 N VAL B 2 -6.152 1.150 -21.782 1.00 25.00 N ATOM 340 CA VAL B 2 -5.708 -0.248 -21.793 1.00 25.00 C ATOM 341 C VAL B 2 -4.809 -0.406 -20.579 1.00 25.00 C ATOM 342 O VAL B 2 -3.943 0.428 -20.354 1.00 25.00 O ATOM 343 CB VAL B 2 -4.907 -0.589 -23.092 1.00 25.00 C ATOM 344 CG1 VAL B 2 -4.436 -2.054 -23.079 1.00 25.00 C ATOM 345 CG2 VAL B 2 -5.775 -0.339 -24.340 1.00 25.00 C ATOM 0 H VAL B 2 -5.394 1.828 -21.704 1.00 25.00 H new ATOM 0 HA VAL B 2 -6.564 -0.922 -21.767 1.00 25.00 H new ATOM 0 HB VAL B 2 -4.032 0.061 -23.125 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -3.881 -2.266 -23.993 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -3.791 -2.221 -22.216 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -5.301 -2.714 -23.018 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -5.203 -0.581 -25.236 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -6.664 -0.968 -24.297 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -6.073 0.709 -24.372 1.00 25.00 H new ATOM 355 N ASN B 3 -5.037 -1.441 -19.782 1.00 25.00 N ATOM 356 CA ASN B 3 -4.253 -1.650 -18.565 1.00 25.00 C ATOM 357 C ASN B 3 -3.018 -2.483 -18.824 1.00 25.00 C ATOM 358 O ASN B 3 -3.081 -3.499 -19.509 1.00 25.00 O ATOM 359 CB ASN B 3 -5.051 -2.409 -17.526 1.00 25.00 C ATOM 360 CG ASN B 3 -6.303 -1.682 -17.094 1.00 25.00 C ATOM 361 OD1 ASN B 3 -6.380 -0.463 -17.119 1.00 25.00 O ATOM 362 ND2 ASN B 3 -7.301 -2.431 -16.710 1.00 25.00 N ATOM 0 H ASN B 3 -5.753 -2.147 -19.952 1.00 25.00 H new ATOM 0 HA ASN B 3 -3.983 -0.653 -18.217 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -5.325 -3.385 -17.928 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -4.423 -2.589 -16.654 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -8.179 -2.001 -16.419 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -7.203 -3.446 -16.701 1.00 25.00 H new ATOM 369 N GLN B 4 -1.928 -2.120 -18.172 1.00 25.00 N ATOM 370 CA GLN B 4 -0.724 -2.917 -18.159 1.00 25.00 C ATOM 371 C GLN B 4 0.047 -2.420 -16.950 1.00 25.00 C ATOM 372 O GLN B 4 -0.255 -1.377 -16.380 1.00 25.00 O ATOM 373 CB GLN B 4 0.090 -2.782 -19.467 1.00 25.00 C ATOM 374 CG GLN B 4 0.604 -1.380 -19.810 1.00 25.00 C ATOM 375 CD GLN B 4 -0.503 -0.394 -20.135 1.00 25.00 C ATOM 376 OE1 GLN B 4 -0.679 0.594 -19.449 1.00 25.00 O ATOM 377 NE2 GLN B 4 -1.252 -0.665 -21.168 1.00 25.00 N ATOM 0 H GLN B 4 -1.857 -1.256 -17.634 1.00 25.00 H new ATOM 0 HA GLN B 4 -0.945 -3.982 -18.095 1.00 25.00 H new ATOM 0 HB2 GLN B 4 0.946 -3.454 -19.407 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -0.531 -3.129 -20.293 1.00 25.00 H new ATOM 0 HG2 GLN B 4 1.185 -0.999 -18.970 1.00 25.00 H new ATOM 0 HG3 GLN B 4 1.281 -1.448 -20.661 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -1.075 -1.504 -21.721 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -2.015 -0.038 -21.423 1.00 25.00 H new ATOM 386 N HIS B 5 1.020 -3.208 -16.555 1.00 25.00 N ATOM 387 CA HIS B 5 1.918 -2.866 -15.447 1.00 25.00 C ATOM 388 C HIS B 5 2.690 -1.577 -15.766 1.00 25.00 C ATOM 389 O HIS B 5 3.316 -1.473 -16.821 1.00 25.00 O ATOM 390 CB HIS B 5 2.911 -4.011 -15.201 1.00 25.00 C ATOM 391 CG HIS B 5 2.261 -5.355 -15.081 1.00 25.00 C ATOM 392 ND1 HIS B 5 1.209 -5.615 -14.224 1.00 25.00 N ATOM 393 CD2 HIS B 5 2.499 -6.542 -15.692 1.00 25.00 C ATOM 394 CE1 HIS B 5 0.863 -6.892 -14.330 1.00 25.00 C ATOM 395 NE2 HIS B 5 1.627 -7.464 -15.211 1.00 25.00 N ATOM 0 H HIS B 5 1.222 -4.110 -16.987 1.00 25.00 H new ATOM 0 HA HIS B 5 1.318 -2.710 -14.550 1.00 25.00 H new ATOM 0 HB2 HIS B 5 3.632 -4.037 -16.018 1.00 25.00 H new ATOM 0 HB3 HIS B 5 3.471 -3.805 -14.289 1.00 25.00 H new ATOM 0 HD2 HIS B 5 3.258 -6.724 -16.439 1.00 25.00 H new ATOM 0 HE1 HIS B 5 0.074 -7.377 -13.774 1.00 25.00 H new ATOM 0 HE2 HIS B 5 1.580 -8.443 -15.494 1.00 25.00 H new ATOM 404 N LEU B 6 2.616 -0.602 -14.872 1.00 25.00 N ATOM 405 CA LEU B 6 3.234 0.700 -15.046 1.00 25.00 C ATOM 406 C LEU B 6 4.178 1.018 -13.898 1.00 25.00 C ATOM 407 O LEU B 6 3.764 1.102 -12.749 1.00 25.00 O ATOM 408 CB LEU B 6 2.126 1.746 -15.046 1.00 25.00 C ATOM 409 CG LEU B 6 1.549 2.256 -16.367 1.00 25.00 C ATOM 410 CD1 LEU B 6 1.889 1.448 -17.611 1.00 25.00 C ATOM 411 CD2 LEU B 6 0.033 2.363 -16.244 1.00 25.00 C ATOM 0 H LEU B 6 2.115 -0.698 -13.989 1.00 25.00 H new ATOM 0 HA LEU B 6 3.800 0.701 -15.978 1.00 25.00 H new ATOM 0 HB2 LEU B 6 1.297 1.339 -14.467 1.00 25.00 H new ATOM 0 HB3 LEU B 6 2.500 2.613 -14.501 1.00 25.00 H new ATOM 0 HG LEU B 6 2.028 3.223 -16.522 1.00 25.00 H new ATOM 0 HD11 LEU B 6 1.423 1.908 -18.482 1.00 25.00 H new ATOM 0 HD12 LEU B 6 2.970 1.426 -17.746 1.00 25.00 H new ATOM 0 HD13 LEU B 6 1.517 0.430 -17.496 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -0.384 2.726 -17.183 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -0.384 1.382 -16.018 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -0.219 3.058 -15.443 1.00 25.00 H new ATOM 423 N CYS B 7 5.440 1.242 -14.225 1.00 25.00 N ATOM 424 CA CYS B 7 6.439 1.607 -13.229 1.00 25.00 C ATOM 425 C CYS B 7 7.391 2.622 -13.848 1.00 25.00 C ATOM 426 O CYS B 7 7.489 2.711 -15.077 1.00 25.00 O ATOM 427 CB CYS B 7 7.212 0.360 -12.792 1.00 25.00 C ATOM 428 SG CYS B 7 7.877 0.470 -11.100 1.00 25.00 S ATOM 0 H CYS B 7 5.800 1.177 -15.177 1.00 25.00 H new ATOM 0 HA CYS B 7 5.955 2.041 -12.354 1.00 25.00 H new ATOM 0 HB2 CYS B 7 6.555 -0.507 -12.859 1.00 25.00 H new ATOM 0 HB3 CYS B 7 8.035 0.191 -13.487 1.00 25.00 H new ATOM 433 N GLY B 8 8.084 3.387 -13.018 1.00 25.00 N ATOM 434 CA GLY B 8 9.030 4.365 -13.529 1.00 25.00 C ATOM 435 C GLY B 8 8.352 5.419 -14.384 1.00 25.00 C ATOM 436 O GLY B 8 7.243 5.857 -14.090 1.00 25.00 O ATOM 0 H GLY B 8 8.011 3.351 -12.001 1.00 25.00 H new ATOM 0 HA2 GLY B 8 9.539 4.848 -12.695 1.00 25.00 H new ATOM 0 HA3 GLY B 8 9.794 3.857 -14.118 1.00 25.00 H new ATOM 440 N SER B 9 8.997 5.788 -15.484 1.00 25.00 N ATOM 441 CA SER B 9 8.458 6.789 -16.403 1.00 25.00 C ATOM 442 C SER B 9 7.112 6.383 -17.000 1.00 25.00 C ATOM 443 O SER B 9 6.291 7.235 -17.307 1.00 25.00 O ATOM 444 CB SER B 9 9.457 7.023 -17.533 1.00 25.00 C ATOM 445 OG SER B 9 9.781 5.794 -18.164 1.00 25.00 O ATOM 0 H SER B 9 9.901 5.407 -15.765 1.00 25.00 H new ATOM 0 HA SER B 9 8.296 7.701 -15.828 1.00 25.00 H new ATOM 0 HB2 SER B 9 9.036 7.715 -18.263 1.00 25.00 H new ATOM 0 HB3 SER B 9 10.361 7.487 -17.139 1.00 25.00 H new ATOM 0 HG SER B 9 10.421 5.957 -18.888 1.00 25.00 H new ATOM 451 N HIS B 10 6.857 5.087 -17.139 1.00 25.00 N ATOM 452 CA HIS B 10 5.573 4.638 -17.687 1.00 25.00 C ATOM 453 C HIS B 10 4.427 5.063 -16.783 1.00 25.00 C ATOM 454 O HIS B 10 3.359 5.413 -17.265 1.00 25.00 O ATOM 455 CB HIS B 10 5.528 3.120 -17.839 1.00 25.00 C ATOM 456 CG HIS B 10 6.272 2.609 -19.031 1.00 25.00 C ATOM 457 ND1 HIS B 10 5.649 1.932 -20.082 1.00 25.00 N ATOM 458 CD2 HIS B 10 7.589 2.640 -19.371 1.00 25.00 C ATOM 459 CE1 HIS B 10 6.567 1.595 -20.977 1.00 25.00 C ATOM 460 NE2 HIS B 10 7.739 2.013 -20.571 1.00 25.00 N ATOM 0 H HIS B 10 7.504 4.339 -16.887 1.00 25.00 H new ATOM 0 HA HIS B 10 5.469 5.100 -18.669 1.00 25.00 H new ATOM 0 HB2 HIS B 10 5.942 2.662 -16.941 1.00 25.00 H new ATOM 0 HB3 HIS B 10 4.488 2.802 -17.908 1.00 25.00 H new ATOM 0 HD2 HIS B 10 8.381 3.086 -18.788 1.00 25.00 H new ATOM 0 HE1 HIS B 10 6.378 1.060 -21.896 1.00 25.00 H new ATOM 0 HE2 HIS B 10 8.620 1.890 -21.071 1.00 25.00 H new ATOM 469 N LEU B 11 4.652 5.036 -15.478 1.00 25.00 N ATOM 470 CA LEU B 11 3.620 5.411 -14.519 1.00 25.00 C ATOM 471 C LEU B 11 3.324 6.901 -14.649 1.00 25.00 C ATOM 472 O LEU B 11 2.176 7.315 -14.659 1.00 25.00 O ATOM 473 CB LEU B 11 4.096 5.080 -13.097 1.00 25.00 C ATOM 474 CG LEU B 11 3.091 5.272 -11.952 1.00 25.00 C ATOM 475 CD1 LEU B 11 1.903 4.330 -12.080 1.00 25.00 C ATOM 476 CD2 LEU B 11 3.803 5.009 -10.631 1.00 25.00 C ATOM 0 H LEU B 11 5.539 4.759 -15.057 1.00 25.00 H new ATOM 0 HA LEU B 11 2.707 4.852 -14.722 1.00 25.00 H new ATOM 0 HB2 LEU B 11 4.425 4.041 -13.085 1.00 25.00 H new ATOM 0 HB3 LEU B 11 4.971 5.694 -12.883 1.00 25.00 H new ATOM 0 HG LEU B 11 2.711 6.293 -11.994 1.00 25.00 H new ATOM 0 HD11 LEU B 11 1.215 4.497 -11.251 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.389 4.519 -13.022 1.00 25.00 H new ATOM 0 HD13 LEU B 11 2.253 3.298 -12.059 1.00 25.00 H new ATOM 0 HD21 LEU B 11 3.102 5.141 -9.807 1.00 25.00 H new ATOM 0 HD22 LEU B 11 4.186 3.989 -10.621 1.00 25.00 H new ATOM 0 HD23 LEU B 11 4.631 5.709 -10.519 1.00 25.00 H new ATOM 488 N VAL B 12 4.375 7.691 -14.803 1.00 25.00 N ATOM 489 CA VAL B 12 4.245 9.142 -14.953 1.00 25.00 C ATOM 490 C VAL B 12 3.485 9.495 -16.235 1.00 25.00 C ATOM 491 O VAL B 12 2.576 10.316 -16.221 1.00 25.00 O ATOM 492 CB VAL B 12 5.657 9.807 -14.973 1.00 25.00 C ATOM 493 CG1 VAL B 12 5.556 11.319 -15.137 1.00 25.00 C ATOM 494 CG2 VAL B 12 6.416 9.474 -13.673 1.00 25.00 C ATOM 0 H VAL B 12 5.337 7.353 -14.828 1.00 25.00 H new ATOM 0 HA VAL B 12 3.679 9.522 -14.102 1.00 25.00 H new ATOM 0 HB VAL B 12 6.203 9.407 -15.827 1.00 25.00 H new ATOM 0 HG11 VAL B 12 6.556 11.752 -15.147 1.00 25.00 H new ATOM 0 HG12 VAL B 12 5.051 11.550 -16.075 1.00 25.00 H new ATOM 0 HG13 VAL B 12 4.988 11.738 -14.306 1.00 25.00 H new ATOM 0 HG21 VAL B 12 7.400 9.942 -13.696 1.00 25.00 H new ATOM 0 HG22 VAL B 12 5.855 9.850 -12.818 1.00 25.00 H new ATOM 0 HG23 VAL B 12 6.530 8.394 -13.585 1.00 25.00 H new ATOM 504 N GLU B 13 3.818 8.844 -17.340 1.00 25.00 N ATOM 505 CA GLU B 13 3.139 9.130 -18.607 1.00 25.00 C ATOM 506 C GLU B 13 1.683 8.687 -18.581 1.00 25.00 C ATOM 507 O GLU B 13 0.838 9.277 -19.244 1.00 25.00 O ATOM 508 CB GLU B 13 3.867 8.470 -19.780 1.00 25.00 C ATOM 509 CG GLU B 13 5.272 9.041 -20.012 1.00 25.00 C ATOM 510 CD GLU B 13 5.285 10.543 -20.073 1.00 25.00 C ATOM 511 OE1 GLU B 13 5.893 11.222 -19.301 1.00 25.00 O ATOM 512 OE2 GLU B 13 4.558 11.034 -21.029 1.00 25.00 O ATOM 0 H GLU B 13 4.540 8.126 -17.392 1.00 25.00 H new ATOM 0 HA GLU B 13 3.160 10.211 -18.743 1.00 25.00 H new ATOM 0 HB2 GLU B 13 3.942 7.398 -19.597 1.00 25.00 H new ATOM 0 HB3 GLU B 13 3.275 8.598 -20.686 1.00 25.00 H new ATOM 0 HG2 GLU B 13 5.932 8.708 -19.211 1.00 25.00 H new ATOM 0 HG3 GLU B 13 5.674 8.640 -20.943 1.00 25.00 H new ATOM 520 N ALA B 14 1.380 7.673 -17.791 1.00 25.00 N ATOM 521 CA ALA B 14 0.005 7.223 -17.656 1.00 25.00 C ATOM 522 C ALA B 14 -0.787 8.260 -16.856 1.00 25.00 C ATOM 523 O ALA B 14 -1.939 8.547 -17.166 1.00 25.00 O ATOM 524 CB ALA B 14 -0.029 5.871 -16.972 1.00 25.00 C ATOM 0 H ALA B 14 2.059 7.150 -17.238 1.00 25.00 H new ATOM 0 HA ALA B 14 -0.449 7.117 -18.641 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -1.063 5.539 -16.874 1.00 25.00 H new ATOM 0 HB2 ALA B 14 0.529 5.148 -17.567 1.00 25.00 H new ATOM 0 HB3 ALA B 14 0.422 5.952 -15.983 1.00 25.00 H new ATOM 530 N LEU B 15 -0.154 8.834 -15.843 1.00 25.00 N ATOM 531 CA LEU B 15 -0.798 9.849 -15.013 1.00 25.00 C ATOM 532 C LEU B 15 -1.126 11.106 -15.808 1.00 25.00 C ATOM 533 O LEU B 15 -2.180 11.706 -15.598 1.00 25.00 O ATOM 534 CB LEU B 15 0.099 10.213 -13.823 1.00 25.00 C ATOM 535 CG LEU B 15 0.146 9.184 -12.685 1.00 25.00 C ATOM 536 CD1 LEU B 15 1.243 9.500 -11.673 1.00 25.00 C ATOM 537 CD2 LEU B 15 -1.187 9.143 -11.997 1.00 25.00 C ATOM 0 H LEU B 15 0.805 8.616 -15.574 1.00 25.00 H new ATOM 0 HA LEU B 15 -1.734 9.424 -14.650 1.00 25.00 H new ATOM 0 HB2 LEU B 15 1.114 10.368 -14.190 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.240 11.165 -13.414 1.00 25.00 H new ATOM 0 HG LEU B 15 0.375 8.211 -13.120 1.00 25.00 H new ATOM 0 HD11 LEU B 15 1.240 8.746 -10.886 1.00 25.00 H new ATOM 0 HD12 LEU B 15 2.211 9.498 -12.173 1.00 25.00 H new ATOM 0 HD13 LEU B 15 1.063 10.482 -11.236 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.157 8.413 -11.188 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -1.416 10.127 -11.589 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -1.958 8.859 -12.714 1.00 25.00 H new ATOM 549 N TYR B 16 -0.270 11.462 -16.759 1.00 25.00 N ATOM 550 CA TYR B 16 -0.540 12.607 -17.637 1.00 25.00 C ATOM 551 C TYR B 16 -1.868 12.420 -18.358 1.00 25.00 C ATOM 552 O TYR B 16 -2.635 13.358 -18.499 1.00 25.00 O ATOM 553 CB TYR B 16 0.559 12.772 -18.694 1.00 25.00 C ATOM 554 CG TYR B 16 1.723 13.636 -18.263 1.00 25.00 C ATOM 555 CD1 TYR B 16 1.578 15.035 -18.149 1.00 25.00 C ATOM 556 CD2 TYR B 16 2.984 13.071 -17.989 1.00 25.00 C ATOM 557 CE1 TYR B 16 2.673 15.851 -17.754 1.00 25.00 C ATOM 558 CE2 TYR B 16 4.082 13.882 -17.608 1.00 25.00 C ATOM 559 CZ TYR B 16 3.914 15.263 -17.488 1.00 25.00 C ATOM 560 OH TYR B 16 4.976 16.043 -17.110 1.00 25.00 O ATOM 0 H TYR B 16 0.611 10.983 -16.945 1.00 25.00 H new ATOM 0 HA TYR B 16 -0.572 13.495 -17.006 1.00 25.00 H new ATOM 0 HB2 TYR B 16 0.936 11.786 -18.964 1.00 25.00 H new ATOM 0 HB3 TYR B 16 0.118 13.202 -19.593 1.00 25.00 H new ATOM 0 HD1 TYR B 16 0.623 15.491 -18.365 1.00 25.00 H new ATOM 0 HD2 TYR B 16 3.116 12.002 -18.071 1.00 25.00 H new ATOM 0 HE1 TYR B 16 2.547 16.920 -17.660 1.00 25.00 H new ATOM 0 HE2 TYR B 16 5.045 13.434 -17.411 1.00 25.00 H new ATOM 0 HH TYR B 16 5.762 15.476 -16.963 1.00 25.00 H new ATOM 570 N LEU B 17 -2.136 11.211 -18.823 1.00 25.00 N ATOM 571 CA LEU B 17 -3.377 10.946 -19.545 1.00 25.00 C ATOM 572 C LEU B 17 -4.609 10.942 -18.645 1.00 25.00 C ATOM 573 O LEU B 17 -5.656 11.452 -19.020 1.00 25.00 O ATOM 574 CB LEU B 17 -3.305 9.588 -20.233 1.00 25.00 C ATOM 575 CG LEU B 17 -2.230 9.411 -21.319 1.00 25.00 C ATOM 576 CD1 LEU B 17 -2.181 7.943 -21.744 1.00 25.00 C ATOM 577 CD2 LEU B 17 -2.505 10.296 -22.539 1.00 25.00 C ATOM 0 H LEU B 17 -1.521 10.404 -18.717 1.00 25.00 H new ATOM 0 HA LEU B 17 -3.479 11.757 -20.266 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -3.142 8.829 -19.468 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -4.277 9.384 -20.682 1.00 25.00 H new ATOM 0 HG LEU B 17 -1.270 9.714 -20.901 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -1.420 7.812 -22.514 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -1.935 7.323 -20.882 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -3.152 7.646 -22.140 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -1.724 10.142 -23.283 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -3.472 10.034 -22.968 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -2.515 11.343 -22.234 1.00 25.00 H new ATOM 589 N VAL B 18 -4.502 10.305 -17.490 1.00 25.00 N ATOM 590 CA VAL B 18 -5.664 10.115 -16.616 1.00 25.00 C ATOM 591 C VAL B 18 -6.054 11.406 -15.919 1.00 25.00 C ATOM 592 O VAL B 18 -7.239 11.742 -15.818 1.00 25.00 O ATOM 593 CB VAL B 18 -5.384 9.009 -15.562 1.00 25.00 C ATOM 594 CG1 VAL B 18 -6.563 8.838 -14.594 1.00 25.00 C ATOM 595 CG2 VAL B 18 -5.120 7.692 -16.276 1.00 25.00 C ATOM 0 H VAL B 18 -3.632 9.911 -17.132 1.00 25.00 H new ATOM 0 HA VAL B 18 -6.497 9.803 -17.246 1.00 25.00 H new ATOM 0 HB VAL B 18 -4.512 9.307 -14.980 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -6.330 8.056 -13.872 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -6.741 9.776 -14.068 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -7.456 8.561 -15.154 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -4.923 6.912 -15.540 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -5.992 7.419 -16.869 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -4.255 7.800 -16.931 1.00 25.00 H new ATOM 605 N CYS B 19 -5.072 12.154 -15.451 1.00 25.00 N ATOM 606 CA CYS B 19 -5.377 13.411 -14.784 1.00 25.00 C ATOM 607 C CYS B 19 -5.483 14.558 -15.784 1.00 25.00 C ATOM 608 O CYS B 19 -6.099 15.589 -15.489 1.00 25.00 O ATOM 609 CB CYS B 19 -4.377 13.705 -13.670 1.00 25.00 C ATOM 610 SG CYS B 19 -5.233 13.701 -12.059 1.00 25.00 S ATOM 0 H CYS B 19 -4.080 11.924 -15.516 1.00 25.00 H new ATOM 0 HA CYS B 19 -6.355 13.312 -14.312 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -3.584 12.957 -13.673 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -3.904 14.672 -13.839 1.00 25.00 H new ATOM 615 N GLY B 20 -4.969 14.366 -16.990 1.00 25.00 N ATOM 616 CA GLY B 20 -5.099 15.387 -18.016 1.00 25.00 C ATOM 617 C GLY B 20 -4.404 16.685 -17.651 1.00 25.00 C ATOM 618 O GLY B 20 -3.390 16.709 -16.954 1.00 25.00 O ATOM 0 H GLY B 20 -4.466 13.527 -17.278 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -4.685 15.010 -18.951 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -6.156 15.584 -18.193 1.00 25.00 H new ATOM 622 N GLU B 21 -4.987 17.784 -18.108 1.00 25.00 N ATOM 623 CA GLU B 21 -4.438 19.126 -17.895 1.00 25.00 C ATOM 624 C GLU B 21 -4.490 19.580 -16.431 1.00 25.00 C ATOM 625 O GLU B 21 -3.929 20.611 -16.087 1.00 25.00 O ATOM 626 CB GLU B 21 -5.211 20.146 -18.750 1.00 25.00 C ATOM 627 CG GLU B 21 -5.103 19.934 -20.276 1.00 25.00 C ATOM 628 CD GLU B 21 -6.053 18.883 -20.796 1.00 25.00 C ATOM 629 OE1 GLU B 21 -6.880 18.328 -20.118 1.00 25.00 O ATOM 630 OE2 GLU B 21 -5.879 18.611 -22.049 1.00 25.00 O ATOM 0 H GLU B 21 -5.858 17.776 -18.640 1.00 25.00 H new ATOM 0 HA GLU B 21 -3.389 19.076 -18.187 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -6.263 20.111 -18.467 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -4.849 21.146 -18.511 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -5.302 20.878 -20.783 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -4.081 19.647 -20.526 1.00 25.00 H new ATOM 638 N ARG B 22 -5.153 18.811 -15.575 1.00 25.00 N ATOM 639 CA ARG B 22 -5.240 19.147 -14.145 1.00 25.00 C ATOM 640 C ARG B 22 -3.893 18.944 -13.464 1.00 25.00 C ATOM 641 O ARG B 22 -3.629 19.525 -12.418 1.00 25.00 O ATOM 642 CB ARG B 22 -6.280 18.264 -13.451 1.00 25.00 C ATOM 643 CG ARG B 22 -7.703 18.478 -13.959 1.00 25.00 C ATOM 644 CD ARG B 22 -8.671 17.473 -13.349 1.00 25.00 C ATOM 645 NE ARG B 22 -8.457 16.118 -13.888 1.00 25.00 N ATOM 646 CZ ARG B 22 -9.183 15.048 -13.590 1.00 25.00 C ATOM 647 NH1 ARG B 22 -10.180 15.095 -12.739 1.00 25.00 N ATOM 648 NH2 ARG B 22 -8.911 13.909 -14.163 1.00 25.00 N ATOM 0 H ARG B 22 -5.638 17.953 -15.837 1.00 25.00 H new ATOM 0 HA ARG B 22 -5.535 20.193 -14.066 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -6.007 17.218 -13.591 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -6.253 18.460 -12.379 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -8.028 19.490 -13.718 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -7.720 18.388 -15.045 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -8.547 17.458 -12.266 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -9.696 17.787 -13.548 1.00 25.00 H new ATOM 0 HE ARG B 22 -7.687 15.992 -14.545 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -10.419 15.975 -12.282 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -10.716 14.252 -12.534 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -8.146 13.846 -14.834 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -9.464 13.081 -13.940 1.00 25.00 H new ATOM 662 N GLY B 23 -3.055 18.112 -14.059 1.00 25.00 N ATOM 663 CA GLY B 23 -1.763 17.810 -13.478 1.00 25.00 C ATOM 664 C GLY B 23 -1.880 16.757 -12.392 1.00 25.00 C ATOM 665 O GLY B 23 -2.971 16.287 -12.081 1.00 25.00 O ATOM 0 H GLY B 23 -3.247 17.636 -14.941 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -1.085 17.459 -14.256 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -1.328 18.718 -13.061 1.00 25.00 H new ATOM 669 N PHE B 24 -0.743 16.363 -11.846 1.00 25.00 N ATOM 670 CA PHE B 24 -0.664 15.317 -10.830 1.00 25.00 C ATOM 671 C PHE B 24 0.697 15.506 -10.189 1.00 25.00 C ATOM 672 O PHE B 24 1.467 16.356 -10.635 1.00 25.00 O ATOM 673 CB PHE B 24 -0.750 13.930 -11.473 1.00 25.00 C ATOM 674 CG PHE B 24 0.344 13.657 -12.457 1.00 25.00 C ATOM 675 CD1 PHE B 24 0.207 14.055 -13.794 1.00 25.00 C ATOM 676 CD2 PHE B 24 1.523 13.008 -12.054 1.00 25.00 C ATOM 677 CE1 PHE B 24 1.235 13.819 -14.725 1.00 25.00 C ATOM 678 CE2 PHE B 24 2.558 12.753 -12.981 1.00 25.00 C ATOM 679 CZ PHE B 24 2.411 13.163 -14.322 1.00 25.00 C ATOM 0 H PHE B 24 0.162 16.761 -12.095 1.00 25.00 H new ATOM 0 HA PHE B 24 -1.481 15.384 -10.111 1.00 25.00 H new ATOM 0 HB2 PHE B 24 -0.720 13.173 -10.689 1.00 25.00 H new ATOM 0 HB3 PHE B 24 -1.712 13.831 -11.975 1.00 25.00 H new ATOM 0 HD1 PHE B 24 -0.699 14.549 -14.113 1.00 25.00 H new ATOM 0 HD2 PHE B 24 1.639 12.701 -11.025 1.00 25.00 H new ATOM 0 HE1 PHE B 24 1.121 14.142 -15.749 1.00 25.00 H new ATOM 0 HE2 PHE B 24 3.458 12.246 -12.664 1.00 25.00 H new ATOM 0 HZ PHE B 24 3.199 12.974 -15.036 1.00 25.00 H new ATOM 689 N PHE B 25 1.025 14.689 -9.201 1.00 25.00 N ATOM 690 CA PHE B 25 2.352 14.712 -8.606 1.00 25.00 C ATOM 691 C PHE B 25 2.803 13.273 -8.429 1.00 25.00 C ATOM 692 O PHE B 25 1.997 12.350 -8.502 1.00 25.00 O ATOM 693 CB PHE B 25 2.339 15.451 -7.259 1.00 25.00 C ATOM 694 CG PHE B 25 1.611 14.712 -6.167 1.00 25.00 C ATOM 695 CD1 PHE B 25 0.218 14.848 -6.011 1.00 25.00 C ATOM 696 CD2 PHE B 25 2.319 13.874 -5.284 1.00 25.00 C ATOM 697 CE1 PHE B 25 -0.467 14.143 -4.987 1.00 25.00 C ATOM 698 CE2 PHE B 25 1.644 13.165 -4.259 1.00 25.00 C ATOM 699 CZ PHE B 25 0.248 13.297 -4.118 1.00 25.00 C ATOM 0 H PHE B 25 0.391 14.002 -8.794 1.00 25.00 H new ATOM 0 HA PHE B 25 3.045 15.248 -9.255 1.00 25.00 H new ATOM 0 HB2 PHE B 25 3.367 15.628 -6.942 1.00 25.00 H new ATOM 0 HB3 PHE B 25 1.875 16.428 -7.396 1.00 25.00 H new ATOM 0 HD1 PHE B 25 -0.334 15.495 -6.677 1.00 25.00 H new ATOM 0 HD2 PHE B 25 3.389 13.770 -5.389 1.00 25.00 H new ATOM 0 HE1 PHE B 25 -1.535 14.255 -4.875 1.00 25.00 H new ATOM 0 HE2 PHE B 25 2.198 12.525 -3.588 1.00 25.00 H new ATOM 0 HZ PHE B 25 -0.272 12.750 -3.345 1.00 25.00 H new ATOM 709 N TYR B 26 4.091 13.084 -8.199 1.00 25.00 N ATOM 710 CA TYR B 26 4.648 11.764 -7.949 1.00 25.00 C ATOM 711 C TYR B 26 5.812 11.995 -7.006 1.00 25.00 C ATOM 712 O TYR B 26 6.441 13.047 -7.063 1.00 25.00 O ATOM 713 CB TYR B 26 5.120 11.114 -9.253 1.00 25.00 C ATOM 714 CG TYR B 26 5.722 9.743 -9.042 1.00 25.00 C ATOM 715 CD1 TYR B 26 4.918 8.659 -8.627 1.00 25.00 C ATOM 716 CD2 TYR B 26 7.100 9.519 -9.242 1.00 25.00 C ATOM 717 CE1 TYR B 26 5.485 7.376 -8.406 1.00 25.00 C ATOM 718 CE2 TYR B 26 7.666 8.233 -9.032 1.00 25.00 C ATOM 719 CZ TYR B 26 6.852 7.177 -8.611 1.00 25.00 C ATOM 720 OH TYR B 26 7.399 5.936 -8.408 1.00 25.00 O ATOM 0 H TYR B 26 4.778 13.837 -8.180 1.00 25.00 H new ATOM 0 HA TYR B 26 3.909 11.086 -7.521 1.00 25.00 H new ATOM 0 HB2 TYR B 26 4.277 11.034 -9.939 1.00 25.00 H new ATOM 0 HB3 TYR B 26 5.858 11.760 -9.729 1.00 25.00 H new ATOM 0 HD1 TYR B 26 3.859 8.807 -8.476 1.00 25.00 H new ATOM 0 HD2 TYR B 26 7.733 10.335 -9.559 1.00 25.00 H new ATOM 0 HE1 TYR B 26 4.861 6.557 -8.080 1.00 25.00 H new ATOM 0 HE2 TYR B 26 8.721 8.072 -9.197 1.00 25.00 H new ATOM 0 HH TYR B 26 8.360 5.968 -8.596 1.00 25.00 H new ATOM 730 N THR B 27 6.078 11.048 -6.120 1.00 25.00 N ATOM 731 CA THR B 27 7.136 11.205 -5.123 1.00 25.00 C ATOM 732 C THR B 27 8.226 10.131 -5.276 1.00 25.00 C ATOM 733 O THR B 27 8.214 9.097 -4.592 1.00 25.00 O ATOM 734 CB THR B 27 6.540 11.163 -3.706 1.00 25.00 C ATOM 735 OG1 THR B 27 5.699 10.014 -3.569 1.00 25.00 O ATOM 736 CG2 THR B 27 5.681 12.390 -3.444 1.00 25.00 C ATOM 0 H THR B 27 5.578 10.161 -6.068 1.00 25.00 H new ATOM 0 HA THR B 27 7.605 12.175 -5.286 1.00 25.00 H new ATOM 0 HB THR B 27 7.369 11.129 -2.999 1.00 25.00 H new ATOM 0 HG1 THR B 27 6.198 9.211 -3.827 1.00 25.00 H new ATOM 0 HG21 THR B 27 5.270 12.338 -2.436 1.00 25.00 H new ATOM 0 HG22 THR B 27 6.290 13.288 -3.542 1.00 25.00 H new ATOM 0 HG23 THR B 27 4.866 12.424 -4.167 1.00 25.00 H new ATOM 744 N PRO B 28 9.207 10.372 -6.163 1.00 25.00 N ATOM 745 CA PRO B 28 10.275 9.387 -6.354 1.00 25.00 C ATOM 746 C PRO B 28 11.256 9.372 -5.188 1.00 25.00 C ATOM 747 O PRO B 28 11.202 10.233 -4.304 1.00 25.00 O ATOM 748 CB PRO B 28 10.953 9.871 -7.640 1.00 25.00 C ATOM 749 CG PRO B 28 10.789 11.335 -7.599 1.00 25.00 C ATOM 750 CD PRO B 28 9.409 11.554 -7.025 1.00 25.00 C ATOM 0 HA PRO B 28 9.901 8.365 -6.413 1.00 25.00 H new ATOM 0 HB2 PRO B 28 12.005 9.588 -7.668 1.00 25.00 H new ATOM 0 HB3 PRO B 28 10.484 9.441 -8.525 1.00 25.00 H new ATOM 0 HG2 PRO B 28 11.554 11.801 -6.978 1.00 25.00 H new ATOM 0 HG3 PRO B 28 10.877 11.771 -8.594 1.00 25.00 H new ATOM 0 HD2 PRO B 28 9.353 12.481 -6.455 1.00 25.00 H new ATOM 0 HD3 PRO B 28 8.653 11.615 -7.808 1.00 25.00 H new ATOM 758 N LYS B 29 12.144 8.387 -5.178 1.00 25.00 N ATOM 759 CA LYS B 29 13.182 8.271 -4.153 1.00 25.00 C ATOM 760 C LYS B 29 14.470 7.960 -4.888 1.00 25.00 C ATOM 761 O LYS B 29 14.486 7.127 -5.786 1.00 25.00 O ATOM 762 CB LYS B 29 12.847 7.151 -3.154 1.00 25.00 C ATOM 763 CG LYS B 29 11.542 7.374 -2.372 1.00 25.00 C ATOM 764 CD LYS B 29 11.655 8.545 -1.381 1.00 25.00 C ATOM 765 CE LYS B 29 10.288 8.965 -0.854 1.00 25.00 C ATOM 766 NZ LYS B 29 9.474 9.614 -1.944 1.00 25.00 N ATOM 0 H LYS B 29 12.168 7.645 -5.877 1.00 25.00 H new ATOM 0 HA LYS B 29 13.265 9.192 -3.576 1.00 25.00 H new ATOM 0 HB2 LYS B 29 12.777 6.207 -3.694 1.00 25.00 H new ATOM 0 HB3 LYS B 29 13.670 7.053 -2.446 1.00 25.00 H new ATOM 0 HG2 LYS B 29 10.729 7.569 -3.072 1.00 25.00 H new ATOM 0 HG3 LYS B 29 11.285 6.464 -1.830 1.00 25.00 H new ATOM 0 HD2 LYS B 29 12.295 8.257 -0.547 1.00 25.00 H new ATOM 0 HD3 LYS B 29 12.133 9.393 -1.871 1.00 25.00 H new ATOM 0 HE2 LYS B 29 9.759 8.094 -0.467 1.00 25.00 H new ATOM 0 HE3 LYS B 29 10.411 9.659 -0.022 1.00 25.00 H new ATOM 0 HZ1 LYS B 29 9.035 10.483 -1.579 1.00 25.00 H new ATOM 0 HZ2 LYS B 29 10.093 9.849 -2.746 1.00 25.00 H new ATOM 0 HZ3 LYS B 29 8.732 8.958 -2.260 1.00 25.00 H new ATOM 780 N THR B 30 15.528 8.684 -4.543 1.00 25.00 N ATOM 781 CA THR B 30 16.839 8.580 -5.203 1.00 25.00 C ATOM 782 C THR B 30 17.956 8.504 -4.180 1.00 25.00 C ATOM 783 O THR B 30 18.016 9.185 -3.182 1.00 25.00 O ATOM 784 CB THR B 30 17.057 9.784 -6.141 1.00 25.00 C ATOM 785 OG1 THR B 30 16.724 10.971 -5.423 1.00 25.00 O ATOM 786 CG2 THR B 30 16.139 9.724 -7.375 1.00 25.00 C ATOM 787 OXT THR B 30 18.871 7.641 -4.469 1.00 25.00 O ATOM 0 H THR B 30 15.507 9.370 -3.789 1.00 25.00 H new ATOM 0 HA THR B 30 16.854 7.663 -5.792 1.00 25.00 H new ATOM 0 HB THR B 30 18.095 9.771 -6.472 1.00 25.00 H new ATOM 0 HG1 THR B 30 16.857 11.751 -6.001 1.00 25.00 H new ATOM 0 HG21 THR B 30 16.325 10.591 -8.009 1.00 25.00 H new ATOM 0 HG22 THR B 30 16.344 8.813 -7.937 1.00 25.00 H new ATOM 0 HG23 THR B 30 15.097 9.726 -7.054 1.00 25.00 H new TER 796 THR B 30