USER MOD reduce.3.24.130724 H: found=0, std=0, add=555, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 552 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 0 HIS : no HD1:sc= -0.117 X(o=-0.12,f=-0.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 MET CE :methyl -158:sc= -0.0191 (180deg=-0.463) USER MOD Single : A 7 LYS NZ :NH3+ -134:sc= -1.21 (180deg=-4.6!) USER MOD Single : A 8 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.274) USER MOD Single : A -1 SER OG : rot 180:sc= 0.00989 USER MOD Single : A -2 GLY N :NH3+ -158:sc= -0.0606 (180deg=-0.205) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.205 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot -160:sc= -2.45 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 172:sc= -0.28 (180deg=-0.292) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -147:sc= -0.618 (180deg=-2.2!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0135) USER MOD Single : A 55 ASN : amide:sc= -0.261 X(o=-0.26,f=-0.37) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN :FLIP amide:sc= -0.111 F(o=-0.66,f=-0.11) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 15.399 -4.702 -12.917 1.00 3.13 N ATOM 2 CA GLY A -2 16.591 -5.075 -12.178 1.00 44.11 C ATOM 3 C GLY A -2 16.303 -6.077 -11.078 1.00 61.44 C ATOM 4 O GLY A -2 15.670 -5.745 -10.077 1.00 4.33 O ATOM 0 H1 GLY A -2 15.671 -4.335 -13.851 1.00 3.13 H new ATOM 0 H2 GLY A -2 14.790 -5.536 -13.037 1.00 3.13 H new ATOM 0 H3 GLY A -2 14.882 -3.967 -12.393 1.00 3.13 H new ATOM 0 HA2 GLY A -2 17.324 -5.496 -12.866 1.00 44.11 H new ATOM 0 HA3 GLY A -2 17.039 -4.182 -11.743 1.00 44.11 H new ATOM 8 N SER A -1 16.766 -7.310 -11.266 1.00 45.22 N ATOM 9 CA SER A -1 16.549 -8.365 -10.284 1.00 61.23 C ATOM 10 C SER A -1 17.040 -7.935 -8.906 1.00 2.12 C ATOM 11 O SER A -1 16.448 -8.287 -7.885 1.00 22.54 O ATOM 12 CB SER A -1 17.265 -9.646 -10.716 1.00 21.43 C ATOM 13 OG SER A -1 17.039 -9.920 -12.088 1.00 45.33 O ATOM 0 H SER A -1 17.293 -7.602 -12.089 1.00 45.22 H new ATOM 0 HA SER A -1 15.478 -8.557 -10.224 1.00 61.23 H new ATOM 0 HB2 SER A -1 18.335 -9.547 -10.533 1.00 21.43 H new ATOM 0 HB3 SER A -1 16.915 -10.483 -10.112 1.00 21.43 H new ATOM 0 HG SER A -1 17.509 -10.743 -12.339 1.00 45.33 H new ATOM 19 N HIS A 0 18.126 -7.169 -8.884 1.00 5.22 N ATOM 20 CA HIS A 0 18.697 -6.689 -7.631 1.00 43.34 C ATOM 21 C HIS A 0 17.669 -5.890 -6.835 1.00 45.35 C ATOM 22 O HIS A 0 17.679 -5.899 -5.605 1.00 43.15 O ATOM 23 CB HIS A 0 19.930 -5.825 -7.906 1.00 1.23 C ATOM 24 CG HIS A 0 20.914 -6.465 -8.836 1.00 51.34 C ATOM 25 ND1 HIS A 0 21.008 -6.138 -10.172 1.00 53.21 N ATOM 26 CD2 HIS A 0 21.851 -7.415 -8.616 1.00 21.31 C ATOM 27 CE1 HIS A 0 21.959 -6.861 -10.734 1.00 72.14 C ATOM 28 NE2 HIS A 0 22.488 -7.644 -9.811 1.00 33.03 N ATOM 0 H HIS A 0 18.628 -6.868 -9.719 1.00 5.22 H new ATOM 0 HA HIS A 0 18.993 -7.556 -7.040 1.00 43.34 H new ATOM 0 HB2 HIS A 0 19.609 -4.873 -8.329 1.00 1.23 H new ATOM 0 HB3 HIS A 0 20.426 -5.603 -6.961 1.00 1.23 H new ATOM 0 HD2 HIS A 0 22.060 -7.903 -7.675 1.00 21.31 H new ATOM 0 HE1 HIS A 0 22.254 -6.819 -11.772 1.00 72.14 H new ATOM 0 HE2 HIS A 0 23.246 -8.310 -9.961 1.00 33.03 H new ATOM 36 N MET A 1 16.784 -5.201 -7.547 1.00 50.15 N ATOM 37 CA MET A 1 15.749 -4.396 -6.907 1.00 33.42 C ATOM 38 C MET A 1 14.803 -5.276 -6.093 1.00 44.00 C ATOM 39 O MET A 1 14.336 -6.310 -6.570 1.00 51.25 O ATOM 40 CB MET A 1 14.958 -3.614 -7.957 1.00 3.41 C ATOM 41 CG MET A 1 14.389 -2.305 -7.437 1.00 54.42 C ATOM 42 SD MET A 1 13.760 -1.247 -8.755 1.00 71.52 S ATOM 43 CE MET A 1 15.230 -0.312 -9.170 1.00 25.23 C ATOM 0 H MET A 1 16.762 -5.183 -8.567 1.00 50.15 H new ATOM 0 HA MET A 1 16.236 -3.693 -6.232 1.00 33.42 H new ATOM 0 HB2 MET A 1 15.606 -3.406 -8.808 1.00 3.41 H new ATOM 0 HB3 MET A 1 14.141 -4.236 -8.323 1.00 3.41 H new ATOM 0 HG2 MET A 1 13.585 -2.518 -6.732 1.00 54.42 H new ATOM 0 HG3 MET A 1 15.163 -1.771 -6.886 1.00 54.42 H new ATOM 0 HE1 MET A 1 15.001 0.388 -9.973 1.00 25.23 H new ATOM 0 HE2 MET A 1 15.570 0.240 -8.293 1.00 25.23 H new ATOM 0 HE3 MET A 1 16.015 -0.994 -9.496 1.00 25.23 H new ATOM 53 N VAL A 2 14.528 -4.858 -4.862 1.00 34.32 N ATOM 54 CA VAL A 2 13.638 -5.607 -3.982 1.00 53.30 C ATOM 55 C VAL A 2 12.586 -4.696 -3.361 1.00 3.55 C ATOM 56 O VAL A 2 12.880 -3.565 -2.975 1.00 21.33 O ATOM 57 CB VAL A 2 14.421 -6.310 -2.859 1.00 24.24 C ATOM 58 CG1 VAL A 2 13.517 -7.264 -2.092 1.00 53.31 C ATOM 59 CG2 VAL A 2 15.624 -7.047 -3.428 1.00 32.11 C ATOM 0 H VAL A 2 14.908 -4.005 -4.451 1.00 34.32 H new ATOM 0 HA VAL A 2 13.145 -6.360 -4.596 1.00 53.30 H new ATOM 0 HB VAL A 2 14.782 -5.552 -2.164 1.00 24.24 H new ATOM 0 HG11 VAL A 2 14.089 -7.751 -1.302 1.00 53.31 H new ATOM 0 HG12 VAL A 2 12.691 -6.707 -1.651 1.00 53.31 H new ATOM 0 HG13 VAL A 2 13.123 -8.018 -2.773 1.00 53.31 H new ATOM 0 HG21 VAL A 2 16.166 -7.538 -2.620 1.00 32.11 H new ATOM 0 HG22 VAL A 2 15.287 -7.795 -4.145 1.00 32.11 H new ATOM 0 HG23 VAL A 2 16.283 -6.337 -3.927 1.00 32.11 H new ATOM 69 N GLU A 3 11.358 -5.198 -3.265 1.00 63.11 N ATOM 70 CA GLU A 3 10.261 -4.428 -2.689 1.00 24.41 C ATOM 71 C GLU A 3 10.359 -4.398 -1.166 1.00 30.21 C ATOM 72 O GLU A 3 10.993 -5.259 -0.557 1.00 50.34 O ATOM 73 CB GLU A 3 8.916 -5.020 -3.114 1.00 2.34 C ATOM 74 CG GLU A 3 8.614 -6.366 -2.475 1.00 41.10 C ATOM 75 CD GLU A 3 7.496 -7.109 -3.181 1.00 51.54 C ATOM 76 OE1 GLU A 3 7.558 -7.232 -4.422 1.00 11.22 O ATOM 77 OE2 GLU A 3 6.560 -7.566 -2.492 1.00 52.33 O ATOM 0 H GLU A 3 11.098 -6.133 -3.578 1.00 63.11 H new ATOM 0 HA GLU A 3 10.333 -3.406 -3.060 1.00 24.41 H new ATOM 0 HB2 GLU A 3 8.122 -4.319 -2.856 1.00 2.34 H new ATOM 0 HB3 GLU A 3 8.904 -5.131 -4.198 1.00 2.34 H new ATOM 0 HG2 GLU A 3 9.515 -6.979 -2.485 1.00 41.10 H new ATOM 0 HG3 GLU A 3 8.342 -6.215 -1.430 1.00 41.10 H new ATOM 84 N MET A 4 9.726 -3.399 -0.558 1.00 75.11 N ATOM 85 CA MET A 4 9.741 -3.256 0.893 1.00 32.34 C ATOM 86 C MET A 4 8.321 -3.171 1.445 1.00 70.50 C ATOM 87 O MET A 4 7.372 -2.911 0.705 1.00 61.23 O ATOM 88 CB MET A 4 10.533 -2.012 1.296 1.00 52.34 C ATOM 89 CG MET A 4 12.032 -2.249 1.389 1.00 71.13 C ATOM 90 SD MET A 4 12.971 -0.717 1.526 1.00 42.42 S ATOM 91 CE MET A 4 14.600 -1.351 1.914 1.00 60.23 C ATOM 0 H MET A 4 9.197 -2.677 -1.048 1.00 75.11 H new ATOM 0 HA MET A 4 10.224 -4.137 1.315 1.00 32.34 H new ATOM 0 HB2 MET A 4 10.343 -1.220 0.572 1.00 52.34 H new ATOM 0 HB3 MET A 4 10.169 -1.656 2.260 1.00 52.34 H new ATOM 0 HG2 MET A 4 12.243 -2.878 2.253 1.00 71.13 H new ATOM 0 HG3 MET A 4 12.365 -2.797 0.507 1.00 71.13 H new ATOM 0 HE1 MET A 4 15.296 -0.520 2.029 1.00 60.23 H new ATOM 0 HE2 MET A 4 14.557 -1.920 2.843 1.00 60.23 H new ATOM 0 HE3 MET A 4 14.940 -1.999 1.106 1.00 60.23 H new ATOM 101 N ARG A 5 8.184 -3.391 2.748 1.00 30.33 N ATOM 102 CA ARG A 5 6.880 -3.341 3.399 1.00 55.43 C ATOM 103 C ARG A 5 6.261 -1.951 3.267 1.00 24.43 C ATOM 104 O ARG A 5 5.042 -1.796 3.332 1.00 60.11 O ATOM 105 CB ARG A 5 7.008 -3.717 4.876 1.00 41.23 C ATOM 106 CG ARG A 5 8.114 -2.967 5.602 1.00 33.40 C ATOM 107 CD ARG A 5 8.017 -3.154 7.107 1.00 65.20 C ATOM 108 NE ARG A 5 8.892 -4.223 7.583 1.00 65.31 N ATOM 109 CZ ARG A 5 9.072 -4.509 8.867 1.00 43.30 C ATOM 110 NH1 ARG A 5 8.441 -3.809 9.800 1.00 3.43 N ATOM 111 NH2 ARG A 5 9.885 -5.496 9.221 1.00 12.11 N ATOM 0 H ARG A 5 8.960 -3.606 3.374 1.00 30.33 H new ATOM 0 HA ARG A 5 6.227 -4.060 2.905 1.00 55.43 H new ATOM 0 HB2 ARG A 5 6.059 -3.521 5.376 1.00 41.23 H new ATOM 0 HB3 ARG A 5 7.195 -4.788 4.955 1.00 41.23 H new ATOM 0 HG2 ARG A 5 9.084 -3.319 5.252 1.00 33.40 H new ATOM 0 HG3 ARG A 5 8.054 -1.906 5.361 1.00 33.40 H new ATOM 0 HD2 ARG A 5 8.280 -2.221 7.606 1.00 65.20 H new ATOM 0 HD3 ARG A 5 6.986 -3.381 7.378 1.00 65.20 H new ATOM 0 HE ARG A 5 9.392 -4.780 6.891 1.00 65.31 H new ATOM 0 HH11 ARG A 5 7.816 -3.049 9.532 1.00 3.43 H new ATOM 0 HH12 ARG A 5 8.581 -4.031 10.786 1.00 3.43 H new ATOM 0 HH21 ARG A 5 10.373 -6.036 8.506 1.00 12.11 H new ATOM 0 HH22 ARG A 5 10.022 -5.715 10.208 1.00 12.11 H new ATOM 125 N MET A 6 7.110 -0.946 3.085 1.00 1.00 N ATOM 126 CA MET A 6 6.647 0.430 2.945 1.00 32.23 C ATOM 127 C MET A 6 6.074 0.671 1.551 1.00 3.14 C ATOM 128 O MET A 6 5.891 -0.266 0.774 1.00 53.23 O ATOM 129 CB MET A 6 7.793 1.407 3.215 1.00 34.53 C ATOM 130 CG MET A 6 8.789 1.505 2.071 1.00 44.35 C ATOM 131 SD MET A 6 10.491 1.658 2.645 1.00 24.43 S ATOM 132 CE MET A 6 10.335 3.003 3.818 1.00 13.23 C ATOM 0 H MET A 6 8.122 -1.058 3.031 1.00 1.00 H new ATOM 0 HA MET A 6 5.857 0.598 3.677 1.00 32.23 H new ATOM 0 HB2 MET A 6 7.378 2.396 3.411 1.00 34.53 H new ATOM 0 HB3 MET A 6 8.319 1.097 4.118 1.00 34.53 H new ATOM 0 HG2 MET A 6 8.700 0.621 1.440 1.00 44.35 H new ATOM 0 HG3 MET A 6 8.540 2.366 1.450 1.00 44.35 H new ATOM 0 HE1 MET A 6 11.307 3.473 3.964 1.00 13.23 H new ATOM 0 HE2 MET A 6 9.629 3.740 3.435 1.00 13.23 H new ATOM 0 HE3 MET A 6 9.973 2.615 4.770 1.00 13.23 H new ATOM 142 N LYS A 7 5.794 1.932 1.242 1.00 43.53 N ATOM 143 CA LYS A 7 5.243 2.298 -0.057 1.00 65.33 C ATOM 144 C LYS A 7 5.997 3.482 -0.655 1.00 3.33 C ATOM 145 O LYS A 7 6.917 4.021 -0.038 1.00 3.04 O ATOM 146 CB LYS A 7 3.758 2.639 0.072 1.00 2.42 C ATOM 147 CG LYS A 7 3.452 3.604 1.205 1.00 52.22 C ATOM 148 CD LYS A 7 2.162 3.235 1.918 1.00 5.31 C ATOM 149 CE LYS A 7 0.975 3.250 0.968 1.00 23.33 C ATOM 150 NZ LYS A 7 -0.289 2.863 1.653 1.00 2.51 N ATOM 0 H LYS A 7 5.940 2.719 1.874 1.00 43.53 H new ATOM 0 HA LYS A 7 5.356 1.443 -0.724 1.00 65.33 H new ATOM 0 HB2 LYS A 7 3.410 3.071 -0.866 1.00 2.42 H new ATOM 0 HB3 LYS A 7 3.195 1.719 0.227 1.00 2.42 H new ATOM 0 HG2 LYS A 7 4.276 3.602 1.918 1.00 52.22 H new ATOM 0 HG3 LYS A 7 3.374 4.617 0.810 1.00 52.22 H new ATOM 0 HD2 LYS A 7 2.261 2.244 2.362 1.00 5.31 H new ATOM 0 HD3 LYS A 7 1.984 3.934 2.735 1.00 5.31 H new ATOM 0 HE2 LYS A 7 0.865 4.246 0.540 1.00 23.33 H new ATOM 0 HE3 LYS A 7 1.164 2.566 0.140 1.00 23.33 H new ATOM 0 HZ1 LYS A 7 -0.804 2.175 1.068 1.00 2.51 H new ATOM 0 HZ2 LYS A 7 -0.067 2.436 2.575 1.00 2.51 H new ATOM 0 HZ3 LYS A 7 -0.879 3.707 1.795 1.00 2.51 H new ATOM 164 N LYS A 8 5.602 3.885 -1.857 1.00 11.33 N ATOM 165 CA LYS A 8 6.237 5.007 -2.536 1.00 71.13 C ATOM 166 C LYS A 8 5.224 5.782 -3.372 1.00 75.12 C ATOM 167 O LYS A 8 4.278 5.205 -3.910 1.00 73.44 O ATOM 168 CB LYS A 8 7.376 4.511 -3.429 1.00 61.14 C ATOM 169 CG LYS A 8 8.227 5.628 -4.008 1.00 10.13 C ATOM 170 CD LYS A 8 9.132 5.123 -5.119 1.00 63.40 C ATOM 171 CE LYS A 8 8.357 4.891 -6.407 1.00 25.45 C ATOM 172 NZ LYS A 8 8.924 3.764 -7.200 1.00 50.40 N ATOM 0 H LYS A 8 4.843 3.450 -2.382 1.00 11.33 H new ATOM 0 HA LYS A 8 6.643 5.675 -1.777 1.00 71.13 H new ATOM 0 HB2 LYS A 8 8.014 3.842 -2.851 1.00 61.14 H new ATOM 0 HB3 LYS A 8 6.956 3.925 -4.246 1.00 61.14 H new ATOM 0 HG2 LYS A 8 7.580 6.416 -4.394 1.00 10.13 H new ATOM 0 HG3 LYS A 8 8.833 6.072 -3.218 1.00 10.13 H new ATOM 0 HD2 LYS A 8 9.929 5.845 -5.297 1.00 63.40 H new ATOM 0 HD3 LYS A 8 9.609 4.194 -4.807 1.00 63.40 H new ATOM 0 HE2 LYS A 8 7.314 4.680 -6.170 1.00 25.45 H new ATOM 0 HE3 LYS A 8 8.370 5.800 -7.008 1.00 25.45 H new ATOM 0 HZ1 LYS A 8 8.239 3.471 -7.925 1.00 50.40 H new ATOM 0 HZ2 LYS A 8 9.805 4.072 -7.660 1.00 50.40 H new ATOM 0 HZ3 LYS A 8 9.125 2.962 -6.569 1.00 50.40 H new ATOM 186 N CYS A 9 5.427 7.091 -3.477 1.00 70.32 N ATOM 187 CA CYS A 9 4.531 7.944 -4.248 1.00 53.12 C ATOM 188 C CYS A 9 4.711 7.710 -5.745 1.00 42.41 C ATOM 189 O CYS A 9 5.773 7.963 -6.314 1.00 61.21 O ATOM 190 CB CYS A 9 4.782 9.415 -3.915 1.00 52.24 C ATOM 191 SG CYS A 9 3.618 10.559 -4.696 1.00 63.34 S ATOM 0 H CYS A 9 6.204 7.584 -3.038 1.00 70.32 H new ATOM 0 HA CYS A 9 3.506 7.688 -3.980 1.00 53.12 H new ATOM 0 HB2 CYS A 9 4.732 9.545 -2.834 1.00 52.24 H new ATOM 0 HB3 CYS A 9 5.794 9.678 -4.222 1.00 52.24 H new ATOM 196 N PRO A 10 3.650 7.216 -6.399 1.00 54.40 N ATOM 197 CA PRO A 10 3.666 6.937 -7.838 1.00 21.03 C ATOM 198 C PRO A 10 3.712 8.210 -8.675 1.00 31.51 C ATOM 199 O PRO A 10 3.855 8.157 -9.897 1.00 14.13 O ATOM 200 CB PRO A 10 2.349 6.192 -8.070 1.00 33.55 C ATOM 201 CG PRO A 10 1.457 6.648 -6.968 1.00 55.43 C ATOM 202 CD PRO A 10 2.351 6.893 -5.784 1.00 71.13 C ATOM 0 HA PRO A 10 4.550 6.371 -8.133 1.00 21.03 H new ATOM 0 HB2 PRO A 10 1.926 6.430 -9.046 1.00 33.55 H new ATOM 0 HB3 PRO A 10 2.494 5.112 -8.041 1.00 33.55 H new ATOM 0 HG2 PRO A 10 0.924 7.556 -7.249 1.00 55.43 H new ATOM 0 HG3 PRO A 10 0.704 5.894 -6.739 1.00 55.43 H new ATOM 0 HD2 PRO A 10 1.984 7.712 -5.166 1.00 71.13 H new ATOM 0 HD3 PRO A 10 2.418 6.015 -5.142 1.00 71.13 H new ATOM 210 N LYS A 11 3.592 9.354 -8.011 1.00 75.15 N ATOM 211 CA LYS A 11 3.621 10.642 -8.694 1.00 5.15 C ATOM 212 C LYS A 11 5.030 11.227 -8.690 1.00 41.41 C ATOM 213 O LYS A 11 5.505 11.733 -9.708 1.00 3.34 O ATOM 214 CB LYS A 11 2.650 11.619 -8.026 1.00 71.42 C ATOM 215 CG LYS A 11 1.404 11.895 -8.849 1.00 54.22 C ATOM 216 CD LYS A 11 0.570 10.639 -9.039 1.00 61.33 C ATOM 217 CE LYS A 11 -0.773 10.952 -9.679 1.00 42.55 C ATOM 218 NZ LYS A 11 -1.835 10.010 -9.230 1.00 40.21 N ATOM 0 H LYS A 11 3.474 9.416 -7.000 1.00 75.15 H new ATOM 0 HA LYS A 11 3.314 10.484 -9.728 1.00 5.15 H new ATOM 0 HB2 LYS A 11 2.354 11.218 -7.057 1.00 71.42 H new ATOM 0 HB3 LYS A 11 3.167 12.560 -7.837 1.00 71.42 H new ATOM 0 HG2 LYS A 11 0.804 12.660 -8.356 1.00 54.22 H new ATOM 0 HG3 LYS A 11 1.691 12.293 -9.822 1.00 54.22 H new ATOM 0 HD2 LYS A 11 1.115 9.930 -9.663 1.00 61.33 H new ATOM 0 HD3 LYS A 11 0.411 10.158 -8.074 1.00 61.33 H new ATOM 0 HE2 LYS A 11 -1.064 11.973 -9.431 1.00 42.55 H new ATOM 0 HE3 LYS A 11 -0.679 10.902 -10.764 1.00 42.55 H new ATOM 0 HZ1 LYS A 11 -2.735 10.257 -9.689 1.00 40.21 H new ATOM 0 HZ2 LYS A 11 -1.570 9.038 -9.489 1.00 40.21 H new ATOM 0 HZ3 LYS A 11 -1.943 10.075 -8.198 1.00 40.21 H new ATOM 232 N CYS A 12 5.692 11.155 -7.541 1.00 64.03 N ATOM 233 CA CYS A 12 7.048 11.677 -7.406 1.00 73.23 C ATOM 234 C CYS A 12 8.060 10.541 -7.290 1.00 55.23 C ATOM 235 O CYS A 12 9.002 10.453 -8.076 1.00 32.12 O ATOM 236 CB CYS A 12 7.146 12.590 -6.183 1.00 32.02 C ATOM 237 SG CYS A 12 5.755 13.731 -6.000 1.00 74.32 S ATOM 0 H CYS A 12 5.313 10.741 -6.690 1.00 64.03 H new ATOM 0 HA CYS A 12 7.279 12.254 -8.301 1.00 73.23 H new ATOM 0 HB2 CYS A 12 7.216 11.973 -5.287 1.00 32.02 H new ATOM 0 HB3 CYS A 12 8.069 13.166 -6.246 1.00 32.02 H new ATOM 242 N GLY A 13 7.857 9.674 -6.303 1.00 73.21 N ATOM 243 CA GLY A 13 8.760 8.556 -6.102 1.00 4.25 C ATOM 244 C GLY A 13 9.388 8.560 -4.721 1.00 30.01 C ATOM 245 O GLY A 13 10.432 7.943 -4.504 1.00 30.23 O ATOM 0 H GLY A 13 7.084 9.726 -5.640 1.00 73.21 H new ATOM 0 HA2 GLY A 13 8.216 7.623 -6.248 1.00 4.25 H new ATOM 0 HA3 GLY A 13 9.547 8.588 -6.856 1.00 4.25 H new ATOM 249 N LEU A 14 8.753 9.257 -3.786 1.00 53.31 N ATOM 250 CA LEU A 14 9.256 9.340 -2.419 1.00 62.21 C ATOM 251 C LEU A 14 8.784 8.149 -1.592 1.00 63.22 C ATOM 252 O LEU A 14 7.605 7.795 -1.610 1.00 60.35 O ATOM 253 CB LEU A 14 8.797 10.644 -1.765 1.00 23.11 C ATOM 254 CG LEU A 14 8.745 10.646 -0.237 1.00 20.03 C ATOM 255 CD1 LEU A 14 10.132 10.419 0.346 1.00 74.04 C ATOM 256 CD2 LEU A 14 8.156 11.952 0.276 1.00 64.10 C ATOM 0 H LEU A 14 7.889 9.773 -3.949 1.00 53.31 H new ATOM 0 HA LEU A 14 10.345 9.323 -2.457 1.00 62.21 H new ATOM 0 HB2 LEU A 14 9.465 11.443 -2.087 1.00 23.11 H new ATOM 0 HB3 LEU A 14 7.804 10.887 -2.143 1.00 23.11 H new ATOM 0 HG LEU A 14 8.100 9.829 0.085 1.00 20.03 H new ATOM 0 HD11 LEU A 14 10.074 10.424 1.434 1.00 74.04 H new ATOM 0 HD12 LEU A 14 10.516 9.457 0.007 1.00 74.04 H new ATOM 0 HD13 LEU A 14 10.800 11.214 0.015 1.00 74.04 H new ATOM 0 HD21 LEU A 14 8.127 11.935 1.365 1.00 64.10 H new ATOM 0 HD22 LEU A 14 8.774 12.786 -0.058 1.00 64.10 H new ATOM 0 HD23 LEU A 14 7.145 12.072 -0.112 1.00 64.10 H new ATOM 268 N TYR A 15 9.712 7.535 -0.866 1.00 13.02 N ATOM 269 CA TYR A 15 9.392 6.384 -0.032 1.00 34.14 C ATOM 270 C TYR A 15 8.895 6.826 1.341 1.00 0.21 C ATOM 271 O TYR A 15 9.366 7.821 1.894 1.00 13.32 O ATOM 272 CB TYR A 15 10.618 5.483 0.124 1.00 30.44 C ATOM 273 CG TYR A 15 10.794 4.499 -1.011 1.00 23.14 C ATOM 274 CD1 TYR A 15 11.511 4.843 -2.150 1.00 2.23 C ATOM 275 CD2 TYR A 15 10.243 3.225 -0.945 1.00 0.44 C ATOM 276 CE1 TYR A 15 11.674 3.948 -3.190 1.00 5.22 C ATOM 277 CE2 TYR A 15 10.403 2.323 -1.978 1.00 35.15 C ATOM 278 CZ TYR A 15 11.118 2.689 -3.099 1.00 2.52 C ATOM 279 OH TYR A 15 11.278 1.793 -4.131 1.00 44.23 O ATOM 0 H TYR A 15 10.692 7.816 -0.839 1.00 13.02 H new ATOM 0 HA TYR A 15 8.597 5.823 -0.523 1.00 34.14 H new ATOM 0 HB2 TYR A 15 11.510 6.106 0.195 1.00 30.44 H new ATOM 0 HB3 TYR A 15 10.537 4.933 1.062 1.00 30.44 H new ATOM 0 HD1 TYR A 15 11.949 5.828 -2.224 1.00 2.23 H new ATOM 0 HD2 TYR A 15 9.680 2.935 -0.070 1.00 0.44 H new ATOM 0 HE1 TYR A 15 12.233 4.233 -4.069 1.00 5.22 H new ATOM 0 HE2 TYR A 15 9.970 1.336 -1.908 1.00 35.15 H new ATOM 0 HH TYR A 15 10.826 0.953 -3.908 1.00 44.23 H new ATOM 289 N THR A 16 7.940 6.080 1.887 1.00 11.20 N ATOM 290 CA THR A 16 7.378 6.394 3.195 1.00 31.51 C ATOM 291 C THR A 16 6.391 5.322 3.640 1.00 33.03 C ATOM 292 O THR A 16 6.151 4.348 2.926 1.00 74.32 O ATOM 293 CB THR A 16 6.666 7.760 3.187 1.00 35.50 C ATOM 294 OG1 THR A 16 6.279 8.119 4.518 1.00 33.52 O ATOM 295 CG2 THR A 16 5.438 7.724 2.289 1.00 61.01 C ATOM 0 H THR A 16 7.539 5.254 1.443 1.00 11.20 H new ATOM 0 HA THR A 16 8.211 6.431 3.897 1.00 31.51 H new ATOM 0 HB THR A 16 7.360 8.505 2.798 1.00 35.50 H new ATOM 0 HG1 THR A 16 5.829 8.989 4.504 1.00 33.52 H new ATOM 0 HG21 THR A 16 4.951 8.699 2.299 1.00 61.01 H new ATOM 0 HG22 THR A 16 5.739 7.479 1.270 1.00 61.01 H new ATOM 0 HG23 THR A 16 4.743 6.968 2.654 1.00 61.01 H new ATOM 303 N LEU A 17 5.820 5.506 4.826 1.00 32.11 N ATOM 304 CA LEU A 17 4.856 4.554 5.368 1.00 33.11 C ATOM 305 C LEU A 17 3.597 5.267 5.848 1.00 11.23 C ATOM 306 O LEU A 17 2.699 4.648 6.421 1.00 61.14 O ATOM 307 CB LEU A 17 5.481 3.766 6.520 1.00 60.13 C ATOM 308 CG LEU A 17 6.688 2.897 6.163 1.00 11.23 C ATOM 309 CD1 LEU A 17 7.806 3.094 7.174 1.00 2.45 C ATOM 310 CD2 LEU A 17 6.286 1.431 6.089 1.00 60.02 C ATOM 0 H LEU A 17 6.008 6.306 5.431 1.00 32.11 H new ATOM 0 HA LEU A 17 4.578 3.863 4.572 1.00 33.11 H new ATOM 0 HB2 LEU A 17 5.783 4.471 7.294 1.00 60.13 H new ATOM 0 HB3 LEU A 17 4.713 3.125 6.954 1.00 60.13 H new ATOM 0 HG LEU A 17 7.054 3.203 5.183 1.00 11.23 H new ATOM 0 HD11 LEU A 17 8.656 2.468 6.903 1.00 2.45 H new ATOM 0 HD12 LEU A 17 8.113 4.140 7.178 1.00 2.45 H new ATOM 0 HD13 LEU A 17 7.452 2.816 8.167 1.00 2.45 H new ATOM 0 HD21 LEU A 17 7.157 0.827 5.834 1.00 60.02 H new ATOM 0 HD22 LEU A 17 5.894 1.112 7.055 1.00 60.02 H new ATOM 0 HD23 LEU A 17 5.519 1.302 5.325 1.00 60.02 H new ATOM 322 N LYS A 18 3.535 6.572 5.609 1.00 41.21 N ATOM 323 CA LYS A 18 2.384 7.371 6.013 1.00 0.45 C ATOM 324 C LYS A 18 1.241 7.224 5.014 1.00 42.40 C ATOM 325 O LYS A 18 0.172 7.807 5.191 1.00 25.14 O ATOM 326 CB LYS A 18 2.779 8.843 6.142 1.00 54.53 C ATOM 327 CG LYS A 18 3.746 9.118 7.280 1.00 12.15 C ATOM 328 CD LYS A 18 3.412 10.417 7.995 1.00 14.05 C ATOM 329 CE LYS A 18 2.195 10.260 8.896 1.00 53.23 C ATOM 330 NZ LYS A 18 2.102 11.357 9.897 1.00 42.30 N ATOM 0 H LYS A 18 4.269 7.100 5.137 1.00 41.21 H new ATOM 0 HA LYS A 18 2.043 7.007 6.982 1.00 0.45 H new ATOM 0 HB2 LYS A 18 3.230 9.172 5.206 1.00 54.53 H new ATOM 0 HB3 LYS A 18 1.879 9.440 6.289 1.00 54.53 H new ATOM 0 HG2 LYS A 18 3.717 8.292 7.991 1.00 12.15 H new ATOM 0 HG3 LYS A 18 4.763 9.167 6.891 1.00 12.15 H new ATOM 0 HD2 LYS A 18 4.268 10.737 8.590 1.00 14.05 H new ATOM 0 HD3 LYS A 18 3.224 11.200 7.260 1.00 14.05 H new ATOM 0 HE2 LYS A 18 1.291 10.247 8.287 1.00 53.23 H new ATOM 0 HE3 LYS A 18 2.246 9.301 9.412 1.00 53.23 H new ATOM 0 HZ1 LYS A 18 1.261 11.214 10.491 1.00 42.30 H new ATOM 0 HZ2 LYS A 18 2.953 11.354 10.495 1.00 42.30 H new ATOM 0 HZ3 LYS A 18 2.028 12.270 9.405 1.00 42.30 H new ATOM 344 N GLU A 19 1.476 6.443 3.964 1.00 13.02 N ATOM 345 CA GLU A 19 0.466 6.221 2.937 1.00 33.20 C ATOM 346 C GLU A 19 0.131 7.522 2.213 1.00 75.04 C ATOM 347 O GLU A 19 -0.824 7.585 1.438 1.00 53.23 O ATOM 348 CB GLU A 19 -0.802 5.629 3.557 1.00 52.11 C ATOM 349 CG GLU A 19 -0.545 4.397 4.407 1.00 23.05 C ATOM 350 CD GLU A 19 -1.643 3.358 4.277 1.00 44.35 C ATOM 351 OE1 GLU A 19 -2.800 3.748 4.016 1.00 33.12 O ATOM 352 OE2 GLU A 19 -1.344 2.157 4.437 1.00 73.52 O ATOM 0 H GLU A 19 2.357 5.954 3.803 1.00 13.02 H new ATOM 0 HA GLU A 19 0.871 5.515 2.212 1.00 33.20 H new ATOM 0 HB2 GLU A 19 -1.285 6.389 4.171 1.00 52.11 H new ATOM 0 HB3 GLU A 19 -1.500 5.371 2.760 1.00 52.11 H new ATOM 0 HG2 GLU A 19 0.407 3.952 4.117 1.00 23.05 H new ATOM 0 HG3 GLU A 19 -0.453 4.694 5.452 1.00 23.05 H new ATOM 359 N ILE A 20 0.924 8.556 2.471 1.00 55.14 N ATOM 360 CA ILE A 20 0.712 9.855 1.843 1.00 42.53 C ATOM 361 C ILE A 20 2.039 10.548 1.553 1.00 31.43 C ATOM 362 O ILE A 20 2.993 10.433 2.324 1.00 33.04 O ATOM 363 CB ILE A 20 -0.151 10.774 2.728 1.00 64.33 C ATOM 364 CG1 ILE A 20 -1.494 10.109 3.035 1.00 34.50 C ATOM 365 CG2 ILE A 20 -0.363 12.118 2.048 1.00 61.25 C ATOM 366 CD1 ILE A 20 -2.395 9.983 1.827 1.00 34.12 C ATOM 0 H ILE A 20 1.718 8.520 3.110 1.00 55.14 H new ATOM 0 HA ILE A 20 0.188 9.670 0.905 1.00 42.53 H new ATOM 0 HB ILE A 20 0.373 10.943 3.669 1.00 64.33 H new ATOM 0 HG12 ILE A 20 -1.313 9.117 3.448 1.00 34.50 H new ATOM 0 HG13 ILE A 20 -2.009 10.686 3.804 1.00 34.50 H new ATOM 0 HG21 ILE A 20 -0.975 12.756 2.686 1.00 61.25 H new ATOM 0 HG22 ILE A 20 0.602 12.595 1.876 1.00 61.25 H new ATOM 0 HG23 ILE A 20 -0.868 11.967 1.094 1.00 61.25 H new ATOM 0 HD11 ILE A 20 -3.329 9.503 2.118 1.00 34.12 H new ATOM 0 HD12 ILE A 20 -2.606 10.974 1.426 1.00 34.12 H new ATOM 0 HD13 ILE A 20 -1.900 9.381 1.065 1.00 34.12 H new ATOM 378 N CYS A 21 2.093 11.268 0.438 1.00 22.24 N ATOM 379 CA CYS A 21 3.303 11.981 0.045 1.00 21.54 C ATOM 380 C CYS A 21 3.331 13.380 0.653 1.00 63.41 C ATOM 381 O CYS A 21 2.542 14.255 0.295 1.00 65.23 O ATOM 382 CB CYS A 21 3.396 12.072 -1.478 1.00 12.01 C ATOM 383 SG CYS A 21 4.880 12.910 -2.079 1.00 73.11 S ATOM 0 H CYS A 21 1.312 11.373 -0.210 1.00 22.24 H new ATOM 0 HA CYS A 21 4.161 11.423 0.420 1.00 21.54 H new ATOM 0 HB2 CYS A 21 3.367 11.065 -1.894 1.00 12.01 H new ATOM 0 HB3 CYS A 21 2.518 12.597 -1.854 1.00 12.01 H new ATOM 388 N PRO A 22 4.260 13.597 1.596 1.00 10.12 N ATOM 389 CA PRO A 22 4.413 14.888 2.274 1.00 1.13 C ATOM 390 C PRO A 22 4.959 15.969 1.348 1.00 20.42 C ATOM 391 O PRO A 22 5.040 17.138 1.722 1.00 42.35 O ATOM 392 CB PRO A 22 5.414 14.584 3.392 1.00 55.12 C ATOM 393 CG PRO A 22 6.190 13.414 2.898 1.00 63.53 C ATOM 394 CD PRO A 22 5.233 12.599 2.072 1.00 41.23 C ATOM 0 HA PRO A 22 3.459 15.277 2.631 1.00 1.13 H new ATOM 0 HB2 PRO A 22 6.064 15.438 3.584 1.00 55.12 H new ATOM 0 HB3 PRO A 22 4.904 14.354 4.328 1.00 55.12 H new ATOM 0 HG2 PRO A 22 7.044 13.736 2.301 1.00 63.53 H new ATOM 0 HG3 PRO A 22 6.584 12.829 3.729 1.00 63.53 H new ATOM 0 HD2 PRO A 22 5.739 12.103 1.243 1.00 41.23 H new ATOM 0 HD3 PRO A 22 4.753 11.820 2.664 1.00 41.23 H new ATOM 402 N LYS A 23 5.333 15.569 0.137 1.00 63.23 N ATOM 403 CA LYS A 23 5.871 16.504 -0.845 1.00 33.34 C ATOM 404 C LYS A 23 4.747 17.197 -1.609 1.00 24.54 C ATOM 405 O LYS A 23 4.598 18.418 -1.540 1.00 22.32 O ATOM 406 CB LYS A 23 6.792 15.773 -1.824 1.00 24.35 C ATOM 407 CG LYS A 23 8.196 16.350 -1.885 1.00 13.43 C ATOM 408 CD LYS A 23 9.167 15.384 -2.543 1.00 50.24 C ATOM 409 CE LYS A 23 9.109 15.483 -4.060 1.00 44.23 C ATOM 410 NZ LYS A 23 9.976 16.578 -4.579 1.00 11.54 N ATOM 0 H LYS A 23 5.274 14.604 -0.188 1.00 63.23 H new ATOM 0 HA LYS A 23 6.445 17.262 -0.312 1.00 33.34 H new ATOM 0 HB2 LYS A 23 6.852 14.723 -1.538 1.00 24.35 H new ATOM 0 HB3 LYS A 23 6.350 15.808 -2.820 1.00 24.35 H new ATOM 0 HG2 LYS A 23 8.181 17.288 -2.441 1.00 13.43 H new ATOM 0 HG3 LYS A 23 8.539 16.582 -0.877 1.00 13.43 H new ATOM 0 HD2 LYS A 23 10.180 15.596 -2.202 1.00 50.24 H new ATOM 0 HD3 LYS A 23 8.933 14.365 -2.235 1.00 50.24 H new ATOM 0 HE2 LYS A 23 9.421 14.535 -4.498 1.00 44.23 H new ATOM 0 HE3 LYS A 23 8.079 15.656 -4.373 1.00 44.23 H new ATOM 0 HZ1 LYS A 23 9.908 16.612 -5.616 1.00 11.54 H new ATOM 0 HZ2 LYS A 23 9.663 17.487 -4.181 1.00 11.54 H new ATOM 0 HZ3 LYS A 23 10.963 16.400 -4.302 1.00 11.54 H new ATOM 424 N CYS A 24 3.959 16.411 -2.335 1.00 4.44 N ATOM 425 CA CYS A 24 2.848 16.951 -3.110 1.00 63.52 C ATOM 426 C CYS A 24 1.533 16.801 -2.353 1.00 41.13 C ATOM 427 O CYS A 24 0.662 17.667 -2.424 1.00 41.22 O ATOM 428 CB CYS A 24 2.754 16.244 -4.464 1.00 0.03 C ATOM 429 SG CYS A 24 2.426 14.470 -4.349 1.00 12.44 S ATOM 0 H CYS A 24 4.069 15.399 -2.403 1.00 4.44 H new ATOM 0 HA CYS A 24 3.033 18.013 -3.273 1.00 63.52 H new ATOM 0 HB2 CYS A 24 1.964 16.711 -5.052 1.00 0.03 H new ATOM 0 HB3 CYS A 24 3.687 16.396 -5.007 1.00 0.03 H new ATOM 434 N GLY A 25 1.395 15.695 -1.628 1.00 64.25 N ATOM 435 CA GLY A 25 0.182 15.451 -0.870 1.00 21.31 C ATOM 436 C GLY A 25 -0.702 14.400 -1.511 1.00 71.22 C ATOM 437 O GLY A 25 -1.922 14.432 -1.362 1.00 40.31 O ATOM 0 H GLY A 25 2.102 14.964 -1.552 1.00 64.25 H new ATOM 0 HA2 GLY A 25 0.446 15.133 0.139 1.00 21.31 H new ATOM 0 HA3 GLY A 25 -0.377 16.382 -0.775 1.00 21.31 H new ATOM 441 N GLU A 26 -0.083 13.467 -2.228 1.00 15.02 N ATOM 442 CA GLU A 26 -0.824 12.403 -2.896 1.00 75.11 C ATOM 443 C GLU A 26 -0.543 11.052 -2.245 1.00 64.32 C ATOM 444 O GLU A 26 0.596 10.745 -1.892 1.00 32.31 O ATOM 445 CB GLU A 26 -0.458 12.351 -4.381 1.00 62.40 C ATOM 446 CG GLU A 26 -0.997 11.126 -5.099 1.00 33.20 C ATOM 447 CD GLU A 26 -2.466 10.882 -4.813 1.00 11.22 C ATOM 448 OE1 GLU A 26 -3.223 11.871 -4.716 1.00 1.45 O ATOM 449 OE2 GLU A 26 -2.859 9.704 -4.687 1.00 22.42 O ATOM 0 H GLU A 26 0.927 13.426 -2.361 1.00 15.02 H new ATOM 0 HA GLU A 26 -1.888 12.620 -2.798 1.00 75.11 H new ATOM 0 HB2 GLU A 26 -0.839 13.246 -4.872 1.00 62.40 H new ATOM 0 HB3 GLU A 26 0.627 12.371 -4.480 1.00 62.40 H new ATOM 0 HG2 GLU A 26 -0.855 11.247 -6.173 1.00 33.20 H new ATOM 0 HG3 GLU A 26 -0.422 10.250 -4.798 1.00 33.20 H new ATOM 456 N LYS A 27 -1.589 10.249 -2.087 1.00 32.43 N ATOM 457 CA LYS A 27 -1.458 8.930 -1.479 1.00 4.25 C ATOM 458 C LYS A 27 -0.322 8.143 -2.125 1.00 53.33 C ATOM 459 O LYS A 27 -0.096 8.238 -3.332 1.00 65.45 O ATOM 460 CB LYS A 27 -2.769 8.152 -1.609 1.00 14.31 C ATOM 461 CG LYS A 27 -3.982 8.918 -1.110 1.00 32.22 C ATOM 462 CD LYS A 27 -4.959 8.006 -0.385 1.00 42.25 C ATOM 463 CE LYS A 27 -5.610 7.016 -1.340 1.00 4.53 C ATOM 464 NZ LYS A 27 -6.872 6.457 -0.782 1.00 31.21 N ATOM 0 H LYS A 27 -2.539 10.489 -2.372 1.00 32.43 H new ATOM 0 HA LYS A 27 -1.227 9.067 -0.423 1.00 4.25 H new ATOM 0 HB2 LYS A 27 -2.922 7.887 -2.655 1.00 14.31 H new ATOM 0 HB3 LYS A 27 -2.685 7.219 -1.052 1.00 14.31 H new ATOM 0 HG2 LYS A 27 -3.660 9.714 -0.439 1.00 32.22 H new ATOM 0 HG3 LYS A 27 -4.484 9.395 -1.952 1.00 32.22 H new ATOM 0 HD2 LYS A 27 -4.436 7.464 0.403 1.00 42.25 H new ATOM 0 HD3 LYS A 27 -5.729 8.607 0.099 1.00 42.25 H new ATOM 0 HE2 LYS A 27 -5.820 7.510 -2.289 1.00 4.53 H new ATOM 0 HE3 LYS A 27 -4.915 6.204 -1.551 1.00 4.53 H new ATOM 0 HZ1 LYS A 27 -7.285 5.787 -1.462 1.00 31.21 H new ATOM 0 HZ2 LYS A 27 -6.668 5.963 0.110 1.00 31.21 H new ATOM 0 HZ3 LYS A 27 -7.545 7.230 -0.604 1.00 31.21 H new ATOM 478 N THR A 28 0.389 7.365 -1.316 1.00 1.05 N ATOM 479 CA THR A 28 1.501 6.562 -1.809 1.00 2.34 C ATOM 480 C THR A 28 1.049 5.145 -2.144 1.00 12.21 C ATOM 481 O THR A 28 0.041 4.665 -1.626 1.00 61.01 O ATOM 482 CB THR A 28 2.644 6.494 -0.780 1.00 3.11 C ATOM 483 OG1 THR A 28 2.110 6.508 0.549 1.00 42.22 O ATOM 484 CG2 THR A 28 3.603 7.661 -0.958 1.00 41.34 C ATOM 0 H THR A 28 0.214 7.274 -0.315 1.00 1.05 H new ATOM 0 HA THR A 28 1.865 7.048 -2.714 1.00 2.34 H new ATOM 0 HB THR A 28 3.192 5.566 -0.941 1.00 3.11 H new ATOM 0 HG1 THR A 28 2.809 6.781 1.179 1.00 42.22 H new ATOM 0 HG21 THR A 28 4.402 7.591 -0.220 1.00 41.34 H new ATOM 0 HG22 THR A 28 4.031 7.631 -1.960 1.00 41.34 H new ATOM 0 HG23 THR A 28 3.064 8.599 -0.822 1.00 41.34 H new ATOM 492 N VAL A 29 1.802 4.480 -3.014 1.00 31.13 N ATOM 493 CA VAL A 29 1.479 3.116 -3.417 1.00 22.10 C ATOM 494 C VAL A 29 2.707 2.214 -3.339 1.00 41.25 C ATOM 495 O VAL A 29 3.832 2.661 -3.567 1.00 12.24 O ATOM 496 CB VAL A 29 0.916 3.072 -4.850 1.00 15.30 C ATOM 497 CG1 VAL A 29 -0.230 4.062 -5.002 1.00 74.34 C ATOM 498 CG2 VAL A 29 2.013 3.355 -5.863 1.00 42.13 C ATOM 0 H VAL A 29 2.639 4.863 -3.453 1.00 31.13 H new ATOM 0 HA VAL A 29 0.720 2.754 -2.724 1.00 22.10 H new ATOM 0 HB VAL A 29 0.529 2.071 -5.040 1.00 15.30 H new ATOM 0 HG11 VAL A 29 -0.616 4.018 -6.020 1.00 74.34 H new ATOM 0 HG12 VAL A 29 -1.025 3.808 -4.301 1.00 74.34 H new ATOM 0 HG13 VAL A 29 0.130 5.070 -4.794 1.00 74.34 H new ATOM 0 HG21 VAL A 29 1.597 3.320 -6.870 1.00 42.13 H new ATOM 0 HG22 VAL A 29 2.432 4.344 -5.678 1.00 42.13 H new ATOM 0 HG23 VAL A 29 2.798 2.605 -5.769 1.00 42.13 H new ATOM 508 N ILE A 30 2.483 0.945 -3.017 1.00 1.21 N ATOM 509 CA ILE A 30 3.571 -0.018 -2.910 1.00 70.31 C ATOM 510 C ILE A 30 4.243 -0.241 -4.260 1.00 54.25 C ATOM 511 O ILE A 30 3.652 -0.780 -5.196 1.00 14.44 O ATOM 512 CB ILE A 30 3.073 -1.372 -2.369 1.00 53.03 C ATOM 513 CG1 ILE A 30 2.806 -1.277 -0.866 1.00 23.14 C ATOM 514 CG2 ILE A 30 4.088 -2.466 -2.664 1.00 75.34 C ATOM 515 CD1 ILE A 30 1.614 -0.414 -0.516 1.00 70.13 C ATOM 0 H ILE A 30 1.558 0.560 -2.826 1.00 1.21 H new ATOM 0 HA ILE A 30 4.295 0.401 -2.211 1.00 70.31 H new ATOM 0 HB ILE A 30 2.139 -1.626 -2.870 1.00 53.03 H new ATOM 0 HG12 ILE A 30 2.647 -2.280 -0.470 1.00 23.14 H new ATOM 0 HG13 ILE A 30 3.692 -0.876 -0.373 1.00 23.14 H new ATOM 0 HG21 ILE A 30 3.722 -3.416 -2.276 1.00 75.34 H new ATOM 0 HG22 ILE A 30 4.234 -2.546 -3.741 1.00 75.34 H new ATOM 0 HG23 ILE A 30 5.037 -2.220 -2.187 1.00 75.34 H new ATOM 0 HD11 ILE A 30 1.485 -0.393 0.566 1.00 70.13 H new ATOM 0 HD12 ILE A 30 1.779 0.600 -0.882 1.00 70.13 H new ATOM 0 HD13 ILE A 30 0.718 -0.826 -0.980 1.00 70.13 H new ATOM 527 N PRO A 31 5.511 0.184 -4.367 1.00 71.23 N ATOM 528 CA PRO A 31 6.293 0.040 -5.599 1.00 23.41 C ATOM 529 C PRO A 31 6.651 -1.413 -5.892 1.00 62.22 C ATOM 530 O PRO A 31 7.375 -2.051 -5.129 1.00 4.04 O ATOM 531 CB PRO A 31 7.557 0.855 -5.313 1.00 41.13 C ATOM 532 CG PRO A 31 7.685 0.850 -3.829 1.00 74.41 C ATOM 533 CD PRO A 31 6.280 0.836 -3.293 1.00 32.43 C ATOM 0 HA PRO A 31 5.740 0.378 -6.475 1.00 23.41 H new ATOM 0 HB2 PRO A 31 8.431 0.409 -5.787 1.00 41.13 H new ATOM 0 HB3 PRO A 31 7.469 1.871 -5.699 1.00 41.13 H new ATOM 0 HG2 PRO A 31 8.242 -0.023 -3.488 1.00 74.41 H new ATOM 0 HG3 PRO A 31 8.227 1.729 -3.481 1.00 74.41 H new ATOM 0 HD2 PRO A 31 6.213 0.281 -2.357 1.00 32.43 H new ATOM 0 HD3 PRO A 31 5.916 1.844 -3.093 1.00 32.43 H new ATOM 541 N LYS A 32 6.139 -1.931 -7.004 1.00 41.41 N ATOM 542 CA LYS A 32 6.405 -3.309 -7.400 1.00 51.32 C ATOM 543 C LYS A 32 7.544 -3.372 -8.413 1.00 72.14 C ATOM 544 O LYS A 32 7.861 -2.394 -9.089 1.00 54.20 O ATOM 545 CB LYS A 32 5.145 -3.944 -7.992 1.00 55.43 C ATOM 546 CG LYS A 32 4.513 -4.993 -7.094 1.00 1.30 C ATOM 547 CD LYS A 32 2.997 -4.898 -7.108 1.00 32.34 C ATOM 548 CE LYS A 32 2.434 -5.174 -8.494 1.00 50.35 C ATOM 549 NZ LYS A 32 1.159 -5.941 -8.433 1.00 23.24 N ATOM 0 H LYS A 32 5.537 -1.417 -7.647 1.00 41.41 H new ATOM 0 HA LYS A 32 6.701 -3.866 -6.511 1.00 51.32 H new ATOM 0 HB2 LYS A 32 4.414 -3.161 -8.192 1.00 55.43 H new ATOM 0 HB3 LYS A 32 5.394 -4.400 -8.950 1.00 55.43 H new ATOM 0 HG2 LYS A 32 4.819 -5.986 -7.422 1.00 1.30 H new ATOM 0 HG3 LYS A 32 4.877 -4.868 -6.074 1.00 1.30 H new ATOM 0 HD2 LYS A 32 2.580 -5.611 -6.396 1.00 32.34 H new ATOM 0 HD3 LYS A 32 2.691 -3.904 -6.781 1.00 32.34 H new ATOM 0 HE2 LYS A 32 2.265 -4.230 -9.012 1.00 50.35 H new ATOM 0 HE3 LYS A 32 3.166 -5.732 -9.079 1.00 50.35 H new ATOM 0 HZ1 LYS A 32 0.808 -6.109 -9.398 1.00 23.24 H new ATOM 0 HZ2 LYS A 32 1.325 -6.853 -7.962 1.00 23.24 H new ATOM 0 HZ3 LYS A 32 0.452 -5.398 -7.897 1.00 23.24 H new ATOM 563 N PRO A 33 8.173 -4.552 -8.524 1.00 0.03 N ATOM 564 CA PRO A 33 9.284 -4.772 -9.455 1.00 11.30 C ATOM 565 C PRO A 33 8.831 -4.766 -10.910 1.00 64.22 C ATOM 566 O PRO A 33 7.641 -4.847 -11.215 1.00 62.54 O ATOM 567 CB PRO A 33 9.806 -6.156 -9.063 1.00 12.54 C ATOM 568 CG PRO A 33 8.638 -6.839 -8.439 1.00 40.02 C ATOM 569 CD PRO A 33 7.848 -5.762 -7.750 1.00 52.40 C ATOM 0 HA PRO A 33 10.034 -3.984 -9.388 1.00 11.30 H new ATOM 0 HB2 PRO A 33 10.166 -6.704 -9.933 1.00 12.54 H new ATOM 0 HB3 PRO A 33 10.640 -6.081 -8.365 1.00 12.54 H new ATOM 0 HG2 PRO A 33 8.034 -7.345 -9.192 1.00 40.02 H new ATOM 0 HG3 PRO A 33 8.964 -7.599 -7.729 1.00 40.02 H new ATOM 0 HD2 PRO A 33 6.779 -5.975 -7.767 1.00 52.40 H new ATOM 0 HD3 PRO A 33 8.136 -5.659 -6.704 1.00 52.40 H new ATOM 577 N PRO A 34 9.800 -4.668 -11.832 1.00 62.12 N ATOM 578 CA PRO A 34 9.525 -4.651 -13.272 1.00 71.14 C ATOM 579 C PRO A 34 9.037 -6.001 -13.786 1.00 25.04 C ATOM 580 O PRO A 34 8.754 -6.909 -13.004 1.00 22.02 O ATOM 581 CB PRO A 34 10.882 -4.302 -13.889 1.00 21.30 C ATOM 582 CG PRO A 34 11.883 -4.763 -12.886 1.00 42.43 C ATOM 583 CD PRO A 34 11.240 -4.568 -11.540 1.00 24.43 C ATOM 0 HA PRO A 34 8.732 -3.947 -13.527 1.00 71.14 H new ATOM 0 HB2 PRO A 34 11.022 -4.803 -14.847 1.00 21.30 H new ATOM 0 HB3 PRO A 34 10.970 -3.231 -14.073 1.00 21.30 H new ATOM 0 HG2 PRO A 34 12.143 -5.809 -13.046 1.00 42.43 H new ATOM 0 HG3 PRO A 34 12.807 -4.189 -12.964 1.00 42.43 H new ATOM 0 HD2 PRO A 34 11.559 -5.329 -10.828 1.00 24.43 H new ATOM 0 HD3 PRO A 34 11.496 -3.600 -11.109 1.00 24.43 H new ATOM 591 N LYS A 35 8.942 -6.128 -15.105 1.00 1.35 N ATOM 592 CA LYS A 35 8.490 -7.369 -15.724 1.00 43.21 C ATOM 593 C LYS A 35 8.855 -7.402 -17.205 1.00 43.14 C ATOM 594 O LYS A 35 8.953 -6.360 -17.853 1.00 64.34 O ATOM 595 CB LYS A 35 6.977 -7.524 -15.557 1.00 23.43 C ATOM 596 CG LYS A 35 6.169 -6.572 -16.420 1.00 74.11 C ATOM 597 CD LYS A 35 4.680 -6.861 -16.325 1.00 42.02 C ATOM 598 CE LYS A 35 3.855 -5.752 -16.960 1.00 65.52 C ATOM 599 NZ LYS A 35 2.459 -6.189 -17.239 1.00 10.14 N ATOM 0 H LYS A 35 9.172 -5.386 -15.767 1.00 1.35 H new ATOM 0 HA LYS A 35 8.991 -8.199 -15.226 1.00 43.21 H new ATOM 0 HB2 LYS A 35 6.696 -8.549 -15.800 1.00 23.43 H new ATOM 0 HB3 LYS A 35 6.717 -7.362 -14.511 1.00 23.43 H new ATOM 0 HG2 LYS A 35 6.362 -5.545 -16.109 1.00 74.11 H new ATOM 0 HG3 LYS A 35 6.492 -6.657 -17.458 1.00 74.11 H new ATOM 0 HD2 LYS A 35 4.460 -7.808 -16.818 1.00 42.02 H new ATOM 0 HD3 LYS A 35 4.396 -6.973 -15.279 1.00 42.02 H new ATOM 0 HE2 LYS A 35 3.839 -4.887 -16.298 1.00 65.52 H new ATOM 0 HE3 LYS A 35 4.328 -5.434 -17.889 1.00 65.52 H new ATOM 0 HZ1 LYS A 35 1.930 -5.405 -17.671 1.00 10.14 H new ATOM 0 HZ2 LYS A 35 2.473 -6.999 -17.891 1.00 10.14 H new ATOM 0 HZ3 LYS A 35 1.998 -6.469 -16.349 1.00 10.14 H new ATOM 613 N PHE A 36 9.054 -8.604 -17.734 1.00 71.22 N ATOM 614 CA PHE A 36 9.407 -8.772 -19.139 1.00 24.55 C ATOM 615 C PHE A 36 8.168 -8.683 -20.025 1.00 51.24 C ATOM 616 O PHE A 36 7.395 -9.635 -20.129 1.00 22.55 O ATOM 617 CB PHE A 36 10.106 -10.117 -19.353 1.00 52.23 C ATOM 618 CG PHE A 36 11.596 -10.052 -19.185 1.00 4.53 C ATOM 619 CD1 PHE A 36 12.154 -9.506 -18.039 1.00 51.31 C ATOM 620 CD2 PHE A 36 12.440 -10.534 -20.172 1.00 25.54 C ATOM 621 CE1 PHE A 36 13.526 -9.444 -17.881 1.00 51.11 C ATOM 622 CE2 PHE A 36 13.813 -10.476 -20.019 1.00 3.34 C ATOM 623 CZ PHE A 36 14.356 -9.930 -18.872 1.00 53.23 C ATOM 0 H PHE A 36 8.977 -9.476 -17.211 1.00 71.22 H new ATOM 0 HA PHE A 36 10.089 -7.968 -19.416 1.00 24.55 H new ATOM 0 HB2 PHE A 36 9.701 -10.844 -18.649 1.00 52.23 H new ATOM 0 HB3 PHE A 36 9.877 -10.481 -20.355 1.00 52.23 H new ATOM 0 HD1 PHE A 36 11.509 -9.125 -17.261 1.00 51.31 H new ATOM 0 HD2 PHE A 36 12.021 -10.960 -21.071 1.00 25.54 H new ATOM 0 HE1 PHE A 36 13.948 -9.016 -16.984 1.00 51.11 H new ATOM 0 HE2 PHE A 36 14.460 -10.857 -20.795 1.00 3.34 H new ATOM 0 HZ PHE A 36 15.428 -9.883 -18.750 1.00 53.23 H new ATOM 633 N SER A 37 7.987 -7.531 -20.663 1.00 31.33 N ATOM 634 CA SER A 37 6.840 -7.314 -21.538 1.00 3.13 C ATOM 635 C SER A 37 7.129 -7.823 -22.947 1.00 14.24 C ATOM 636 O SER A 37 6.213 -8.181 -23.690 1.00 12.42 O ATOM 637 CB SER A 37 6.481 -5.828 -21.584 1.00 65.11 C ATOM 638 OG SER A 37 5.524 -5.503 -20.590 1.00 63.24 O ATOM 0 H SER A 37 8.619 -6.734 -20.591 1.00 31.33 H new ATOM 0 HA SER A 37 5.995 -7.872 -21.135 1.00 3.13 H new ATOM 0 HB2 SER A 37 7.380 -5.229 -21.438 1.00 65.11 H new ATOM 0 HB3 SER A 37 6.087 -5.576 -22.569 1.00 65.11 H new ATOM 0 HG SER A 37 5.313 -4.547 -20.639 1.00 63.24 H new ATOM 644 N LEU A 38 8.406 -7.852 -23.309 1.00 72.21 N ATOM 645 CA LEU A 38 8.817 -8.318 -24.630 1.00 13.51 C ATOM 646 C LEU A 38 8.607 -9.822 -24.766 1.00 32.11 C ATOM 647 O LEU A 38 8.459 -10.339 -25.873 1.00 64.22 O ATOM 648 CB LEU A 38 10.286 -7.971 -24.880 1.00 51.13 C ATOM 649 CG LEU A 38 10.724 -7.924 -26.343 1.00 72.33 C ATOM 650 CD1 LEU A 38 10.417 -6.564 -26.951 1.00 51.11 C ATOM 651 CD2 LEU A 38 12.207 -8.242 -26.467 1.00 63.31 C ATOM 0 H LEU A 38 9.176 -7.559 -22.707 1.00 72.21 H new ATOM 0 HA LEU A 38 8.200 -7.815 -25.375 1.00 13.51 H new ATOM 0 HB2 LEU A 38 10.491 -7.000 -24.429 1.00 51.13 H new ATOM 0 HB3 LEU A 38 10.905 -8.702 -24.359 1.00 51.13 H new ATOM 0 HG LEU A 38 10.163 -8.680 -26.893 1.00 72.33 H new ATOM 0 HD11 LEU A 38 10.736 -6.551 -27.993 1.00 51.11 H new ATOM 0 HD12 LEU A 38 9.345 -6.375 -26.898 1.00 51.11 H new ATOM 0 HD13 LEU A 38 10.950 -5.790 -26.399 1.00 51.11 H new ATOM 0 HD21 LEU A 38 12.501 -8.204 -27.516 1.00 63.31 H new ATOM 0 HD22 LEU A 38 12.784 -7.511 -25.902 1.00 63.31 H new ATOM 0 HD23 LEU A 38 12.399 -9.240 -26.072 1.00 63.31 H new ATOM 663 N GLU A 39 8.594 -10.518 -23.634 1.00 13.04 N ATOM 664 CA GLU A 39 8.400 -11.963 -23.629 1.00 30.14 C ATOM 665 C GLU A 39 6.932 -12.315 -23.405 1.00 20.42 C ATOM 666 O GLU A 39 6.426 -13.291 -23.959 1.00 71.30 O ATOM 667 CB GLU A 39 9.262 -12.611 -22.543 1.00 14.31 C ATOM 668 CG GLU A 39 10.670 -12.949 -23.005 1.00 5.42 C ATOM 669 CD GLU A 39 11.311 -14.041 -22.171 1.00 13.24 C ATOM 670 OE1 GLU A 39 10.570 -14.767 -21.474 1.00 44.13 O ATOM 671 OE2 GLU A 39 12.552 -14.170 -22.214 1.00 0.13 O ATOM 0 H GLU A 39 8.715 -10.105 -22.709 1.00 13.04 H new ATOM 0 HA GLU A 39 8.703 -12.348 -24.603 1.00 30.14 H new ATOM 0 HB2 GLU A 39 9.321 -11.938 -21.688 1.00 14.31 H new ATOM 0 HB3 GLU A 39 8.773 -13.522 -22.198 1.00 14.31 H new ATOM 0 HG2 GLU A 39 10.640 -13.264 -24.048 1.00 5.42 H new ATOM 0 HG3 GLU A 39 11.288 -12.052 -22.960 1.00 5.42 H new ATOM 678 N ASP A 40 6.255 -11.513 -22.590 1.00 24.20 N ATOM 679 CA ASP A 40 4.845 -11.739 -22.294 1.00 45.12 C ATOM 680 C ASP A 40 3.970 -11.326 -23.472 1.00 14.34 C ATOM 681 O ASP A 40 3.914 -10.151 -23.836 1.00 42.13 O ATOM 682 CB ASP A 40 4.436 -10.963 -21.040 1.00 54.34 C ATOM 683 CG ASP A 40 3.671 -11.821 -20.053 1.00 54.31 C ATOM 684 OD1 ASP A 40 2.599 -12.344 -20.425 1.00 62.23 O ATOM 685 OD2 ASP A 40 4.143 -11.970 -18.907 1.00 64.21 O ATOM 0 H ASP A 40 6.660 -10.701 -22.123 1.00 24.20 H new ATOM 0 HA ASP A 40 4.702 -12.805 -22.115 1.00 45.12 H new ATOM 0 HB2 ASP A 40 5.328 -10.564 -20.556 1.00 54.34 H new ATOM 0 HB3 ASP A 40 3.822 -10.110 -21.328 1.00 54.34 H new ATOM 690 N ARG A 41 3.286 -12.300 -24.065 1.00 63.04 N ATOM 691 CA ARG A 41 2.415 -12.038 -25.204 1.00 25.14 C ATOM 692 C ARG A 41 1.200 -11.216 -24.781 1.00 60.24 C ATOM 693 O ARG A 41 0.860 -10.221 -25.420 1.00 41.35 O ATOM 694 CB ARG A 41 1.958 -13.353 -25.838 1.00 23.11 C ATOM 695 CG ARG A 41 1.172 -13.169 -27.125 1.00 31.22 C ATOM 696 CD ARG A 41 1.048 -14.475 -27.893 1.00 15.33 C ATOM 697 NE ARG A 41 -0.174 -14.525 -28.693 1.00 73.45 N ATOM 698 CZ ARG A 41 -0.703 -15.652 -29.157 1.00 41.43 C ATOM 699 NH1 ARG A 41 -0.122 -16.815 -28.901 1.00 75.34 N ATOM 700 NH2 ARG A 41 -1.816 -15.615 -29.879 1.00 12.24 N ATOM 0 H ARG A 41 3.319 -13.277 -23.775 1.00 63.04 H new ATOM 0 HA ARG A 41 2.982 -11.466 -25.939 1.00 25.14 H new ATOM 0 HB2 ARG A 41 2.832 -13.971 -26.042 1.00 23.11 H new ATOM 0 HB3 ARG A 41 1.343 -13.897 -25.121 1.00 23.11 H new ATOM 0 HG2 ARG A 41 0.178 -12.786 -26.894 1.00 31.22 H new ATOM 0 HG3 ARG A 41 1.664 -12.423 -27.750 1.00 31.22 H new ATOM 0 HD2 ARG A 41 1.913 -14.596 -28.545 1.00 15.33 H new ATOM 0 HD3 ARG A 41 1.057 -15.310 -27.192 1.00 15.33 H new ATOM 0 HE ARG A 41 -0.647 -13.647 -28.907 1.00 73.45 H new ATOM 0 HH11 ARG A 41 0.734 -16.847 -28.346 1.00 75.34 H new ATOM 0 HH12 ARG A 41 -0.530 -17.679 -29.258 1.00 75.34 H new ATOM 0 HH21 ARG A 41 -2.265 -14.721 -30.078 1.00 12.24 H new ATOM 0 HH22 ARG A 41 -2.222 -16.480 -30.235 1.00 12.24 H new ATOM 714 N TRP A 42 0.551 -11.641 -23.703 1.00 25.10 N ATOM 715 CA TRP A 42 -0.625 -10.945 -23.195 1.00 61.44 C ATOM 716 C TRP A 42 -0.247 -9.982 -22.076 1.00 1.40 C ATOM 717 O TRP A 42 -1.093 -9.580 -21.278 1.00 51.22 O ATOM 718 CB TRP A 42 -1.660 -11.951 -22.692 1.00 13.05 C ATOM 719 CG TRP A 42 -2.569 -12.459 -23.770 1.00 33.35 C ATOM 720 CD1 TRP A 42 -2.237 -12.711 -25.070 1.00 54.15 C ATOM 721 CD2 TRP A 42 -3.960 -12.774 -23.641 1.00 32.25 C ATOM 722 NE1 TRP A 42 -3.337 -13.164 -25.757 1.00 71.42 N ATOM 723 CE2 TRP A 42 -4.406 -13.213 -24.903 1.00 54.43 C ATOM 724 CE3 TRP A 42 -4.870 -12.731 -22.582 1.00 34.13 C ATOM 725 CZ2 TRP A 42 -5.723 -13.603 -25.132 1.00 10.43 C ATOM 726 CZ3 TRP A 42 -6.177 -13.119 -22.811 1.00 4.21 C ATOM 727 CH2 TRP A 42 -6.594 -13.551 -24.077 1.00 42.20 C ATOM 0 H TRP A 42 0.819 -12.464 -23.164 1.00 25.10 H new ATOM 0 HA TRP A 42 -1.057 -10.369 -24.013 1.00 61.44 H new ATOM 0 HB2 TRP A 42 -1.143 -12.795 -22.235 1.00 13.05 H new ATOM 0 HB3 TRP A 42 -2.260 -11.484 -21.911 1.00 13.05 H new ATOM 0 HD1 TRP A 42 -1.254 -12.574 -25.496 1.00 54.15 H new ATOM 0 HE1 TRP A 42 -3.355 -13.422 -26.744 1.00 71.42 H new ATOM 0 HE3 TRP A 42 -4.558 -12.401 -21.602 1.00 34.13 H new ATOM 0 HZ2 TRP A 42 -6.046 -13.935 -26.108 1.00 10.43 H new ATOM 0 HZ3 TRP A 42 -6.889 -13.089 -22.000 1.00 4.21 H new ATOM 0 HH2 TRP A 42 -7.622 -13.849 -24.223 1.00 42.20 H new ATOM 738 N GLY A 43 1.029 -9.613 -22.023 1.00 24.51 N ATOM 739 CA GLY A 43 1.496 -8.701 -20.996 1.00 45.40 C ATOM 740 C GLY A 43 0.797 -7.356 -21.055 1.00 64.12 C ATOM 741 O GLY A 43 0.639 -6.685 -20.035 1.00 25.11 O ATOM 0 H GLY A 43 1.748 -9.930 -22.674 1.00 24.51 H new ATOM 0 HA2 GLY A 43 1.334 -9.149 -20.015 1.00 45.40 H new ATOM 0 HA3 GLY A 43 2.570 -8.554 -21.106 1.00 45.40 H new ATOM 745 N LYS A 44 0.378 -6.961 -22.252 1.00 14.33 N ATOM 746 CA LYS A 44 -0.309 -5.688 -22.441 1.00 63.33 C ATOM 747 C LYS A 44 -1.800 -5.827 -22.156 1.00 52.10 C ATOM 748 O LYS A 44 -2.460 -4.861 -21.772 1.00 51.21 O ATOM 749 CB LYS A 44 -0.096 -5.179 -23.869 1.00 14.21 C ATOM 750 CG LYS A 44 1.366 -5.022 -24.248 1.00 75.33 C ATOM 751 CD LYS A 44 2.017 -3.875 -23.495 1.00 52.03 C ATOM 752 CE LYS A 44 3.239 -3.346 -24.232 1.00 14.23 C ATOM 753 NZ LYS A 44 4.468 -4.113 -23.887 1.00 65.10 N ATOM 0 H LYS A 44 0.502 -7.504 -23.107 1.00 14.33 H new ATOM 0 HA LYS A 44 0.111 -4.968 -21.738 1.00 63.33 H new ATOM 0 HB2 LYS A 44 -0.571 -5.869 -24.566 1.00 14.21 H new ATOM 0 HB3 LYS A 44 -0.597 -4.217 -23.981 1.00 14.21 H new ATOM 0 HG2 LYS A 44 1.900 -5.948 -24.034 1.00 75.33 H new ATOM 0 HG3 LYS A 44 1.448 -4.847 -25.321 1.00 75.33 H new ATOM 0 HD2 LYS A 44 1.295 -3.070 -23.361 1.00 52.03 H new ATOM 0 HD3 LYS A 44 2.308 -4.211 -22.500 1.00 52.03 H new ATOM 0 HE2 LYS A 44 3.067 -3.400 -25.307 1.00 14.23 H new ATOM 0 HE3 LYS A 44 3.385 -2.295 -23.985 1.00 14.23 H new ATOM 0 HZ1 LYS A 44 5.249 -3.814 -24.506 1.00 65.10 H new ATOM 0 HZ2 LYS A 44 4.723 -3.932 -22.895 1.00 65.10 H new ATOM 0 HZ3 LYS A 44 4.291 -5.129 -24.019 1.00 65.10 H new ATOM 767 N TYR A 45 -2.324 -7.032 -22.343 1.00 34.10 N ATOM 768 CA TYR A 45 -3.739 -7.297 -22.106 1.00 3.30 C ATOM 769 C TYR A 45 -4.061 -7.239 -20.616 1.00 33.44 C ATOM 770 O TYR A 45 -5.167 -6.866 -20.223 1.00 24.23 O ATOM 771 CB TYR A 45 -4.126 -8.663 -22.671 1.00 22.52 C ATOM 772 CG TYR A 45 -5.604 -8.966 -22.567 1.00 41.04 C ATOM 773 CD1 TYR A 45 -6.133 -9.558 -21.427 1.00 32.24 C ATOM 774 CD2 TYR A 45 -6.470 -8.661 -23.608 1.00 53.44 C ATOM 775 CE1 TYR A 45 -7.483 -9.837 -21.327 1.00 62.21 C ATOM 776 CE2 TYR A 45 -7.821 -8.933 -23.518 1.00 31.25 C ATOM 777 CZ TYR A 45 -8.323 -9.522 -22.375 1.00 2.01 C ATOM 778 OH TYR A 45 -9.667 -9.797 -22.281 1.00 13.13 O ATOM 0 H TYR A 45 -1.791 -7.842 -22.658 1.00 34.10 H new ATOM 0 HA TYR A 45 -4.317 -6.526 -22.615 1.00 3.30 H new ATOM 0 HB2 TYR A 45 -3.827 -8.712 -23.718 1.00 22.52 H new ATOM 0 HB3 TYR A 45 -3.567 -9.436 -22.144 1.00 22.52 H new ATOM 0 HD1 TYR A 45 -5.478 -9.805 -20.605 1.00 32.24 H new ATOM 0 HD2 TYR A 45 -6.080 -8.203 -24.505 1.00 53.44 H new ATOM 0 HE1 TYR A 45 -7.878 -10.299 -20.434 1.00 62.21 H new ATOM 0 HE2 TYR A 45 -8.481 -8.686 -24.337 1.00 31.25 H new ATOM 0 HH TYR A 45 -10.117 -9.512 -23.103 1.00 13.13 H new ATOM 788 N ARG A 46 -3.087 -7.611 -19.792 1.00 32.02 N ATOM 789 CA ARG A 46 -3.266 -7.604 -18.345 1.00 61.23 C ATOM 790 C ARG A 46 -3.579 -6.197 -17.843 1.00 25.12 C ATOM 791 O ARG A 46 -4.359 -6.020 -16.908 1.00 74.22 O ATOM 792 CB ARG A 46 -2.011 -8.137 -17.652 1.00 5.11 C ATOM 793 CG ARG A 46 -2.262 -8.637 -16.239 1.00 2.13 C ATOM 794 CD ARG A 46 -2.556 -10.129 -16.219 1.00 21.21 C ATOM 795 NE ARG A 46 -2.617 -10.657 -14.859 1.00 5.33 N ATOM 796 CZ ARG A 46 -3.640 -10.452 -14.037 1.00 31.45 C ATOM 797 NH1 ARG A 46 -4.682 -9.735 -14.434 1.00 71.53 N ATOM 798 NH2 ARG A 46 -3.624 -10.966 -12.813 1.00 64.33 N ATOM 0 H ARG A 46 -2.166 -7.921 -20.102 1.00 32.02 H new ATOM 0 HA ARG A 46 -4.108 -8.253 -18.105 1.00 61.23 H new ATOM 0 HB2 ARG A 46 -1.595 -8.950 -18.247 1.00 5.11 H new ATOM 0 HB3 ARG A 46 -1.260 -7.347 -17.621 1.00 5.11 H new ATOM 0 HG2 ARG A 46 -1.391 -8.429 -15.618 1.00 2.13 H new ATOM 0 HG3 ARG A 46 -3.101 -8.094 -15.804 1.00 2.13 H new ATOM 0 HD2 ARG A 46 -3.503 -10.319 -16.724 1.00 21.21 H new ATOM 0 HD3 ARG A 46 -1.785 -10.658 -16.779 1.00 21.21 H new ATOM 0 HE ARG A 46 -1.831 -11.213 -14.522 1.00 5.33 H new ATOM 0 HH11 ARG A 46 -4.700 -9.339 -15.374 1.00 71.53 H new ATOM 0 HH12 ARG A 46 -5.466 -9.580 -13.800 1.00 71.53 H new ATOM 0 HH21 ARG A 46 -2.825 -11.519 -12.503 1.00 64.33 H new ATOM 0 HH22 ARG A 46 -4.410 -10.808 -12.183 1.00 64.33 H new ATOM 812 N ARG A 47 -2.963 -5.200 -18.471 1.00 21.54 N ATOM 813 CA ARG A 47 -3.174 -3.810 -18.087 1.00 3.50 C ATOM 814 C ARG A 47 -4.626 -3.399 -18.307 1.00 55.14 C ATOM 815 O ARG A 47 -5.155 -2.546 -17.595 1.00 14.01 O ATOM 816 CB ARG A 47 -2.246 -2.892 -18.885 1.00 42.34 C ATOM 817 CG ARG A 47 -1.435 -1.943 -18.018 1.00 71.43 C ATOM 818 CD ARG A 47 -1.015 -0.702 -18.792 1.00 15.32 C ATOM 819 NE ARG A 47 0.405 -0.410 -18.629 1.00 45.13 N ATOM 820 CZ ARG A 47 1.373 -1.153 -19.153 1.00 62.23 C ATOM 821 NH1 ARG A 47 1.074 -2.227 -19.870 1.00 23.30 N ATOM 822 NH2 ARG A 47 2.644 -0.822 -18.961 1.00 65.42 N ATOM 0 H ARG A 47 -2.314 -5.330 -19.247 1.00 21.54 H new ATOM 0 HA ARG A 47 -2.945 -3.714 -17.026 1.00 3.50 H new ATOM 0 HB2 ARG A 47 -1.564 -3.504 -19.476 1.00 42.34 H new ATOM 0 HB3 ARG A 47 -2.842 -2.309 -19.588 1.00 42.34 H new ATOM 0 HG2 ARG A 47 -2.024 -1.649 -17.149 1.00 71.43 H new ATOM 0 HG3 ARG A 47 -0.549 -2.457 -17.644 1.00 71.43 H new ATOM 0 HD2 ARG A 47 -1.237 -0.842 -19.850 1.00 15.32 H new ATOM 0 HD3 ARG A 47 -1.602 0.152 -18.454 1.00 15.32 H new ATOM 0 HE ARG A 47 0.669 0.410 -18.083 1.00 45.13 H new ATOM 0 HH11 ARG A 47 0.099 -2.484 -20.020 1.00 23.30 H new ATOM 0 HH12 ARG A 47 1.819 -2.796 -20.271 1.00 23.30 H new ATOM 0 HH21 ARG A 47 2.878 0.004 -18.410 1.00 65.42 H new ATOM 0 HH22 ARG A 47 3.386 -1.394 -19.364 1.00 65.42 H new ATOM 836 N MET A 48 -5.265 -4.011 -19.299 1.00 32.24 N ATOM 837 CA MET A 48 -6.657 -3.710 -19.612 1.00 3.12 C ATOM 838 C MET A 48 -7.601 -4.485 -18.698 1.00 2.13 C ATOM 839 O MET A 48 -8.676 -4.001 -18.344 1.00 54.41 O ATOM 840 CB MET A 48 -6.956 -4.044 -21.075 1.00 35.34 C ATOM 841 CG MET A 48 -8.030 -3.163 -21.692 1.00 13.24 C ATOM 842 SD MET A 48 -7.363 -1.641 -22.390 1.00 3.44 S ATOM 843 CE MET A 48 -7.396 -0.567 -20.956 1.00 3.04 C ATOM 0 H MET A 48 -4.841 -4.718 -19.900 1.00 32.24 H new ATOM 0 HA MET A 48 -6.817 -2.644 -19.449 1.00 3.12 H new ATOM 0 HB2 MET A 48 -6.039 -3.946 -21.656 1.00 35.34 H new ATOM 0 HB3 MET A 48 -7.268 -5.086 -21.145 1.00 35.34 H new ATOM 0 HG2 MET A 48 -8.547 -3.720 -22.473 1.00 13.24 H new ATOM 0 HG3 MET A 48 -8.772 -2.915 -20.933 1.00 13.24 H new ATOM 0 HE1 MET A 48 -7.592 0.457 -21.273 1.00 3.04 H new ATOM 0 HE2 MET A 48 -8.182 -0.893 -20.275 1.00 3.04 H new ATOM 0 HE3 MET A 48 -6.433 -0.611 -20.446 1.00 3.04 H new ATOM 853 N LEU A 49 -7.192 -5.691 -18.319 1.00 10.14 N ATOM 854 CA LEU A 49 -8.001 -6.533 -17.445 1.00 70.22 C ATOM 855 C LEU A 49 -8.255 -5.846 -16.108 1.00 12.33 C ATOM 856 O LEU A 49 -9.278 -6.078 -15.462 1.00 1.23 O ATOM 857 CB LEU A 49 -7.308 -7.879 -17.216 1.00 54.32 C ATOM 858 CG LEU A 49 -8.231 -9.082 -17.018 1.00 64.41 C ATOM 859 CD1 LEU A 49 -7.450 -10.380 -17.158 1.00 73.03 C ATOM 860 CD2 LEU A 49 -8.914 -9.013 -15.661 1.00 11.33 C ATOM 0 H LEU A 49 -6.305 -6.107 -18.603 1.00 10.14 H new ATOM 0 HA LEU A 49 -8.961 -6.703 -17.933 1.00 70.22 H new ATOM 0 HB2 LEU A 49 -6.659 -8.081 -18.068 1.00 54.32 H new ATOM 0 HB3 LEU A 49 -6.666 -7.790 -16.340 1.00 54.32 H new ATOM 0 HG LEU A 49 -9.000 -9.058 -17.790 1.00 64.41 H new ATOM 0 HD11 LEU A 49 -8.122 -11.226 -17.014 1.00 73.03 H new ATOM 0 HD12 LEU A 49 -7.008 -10.433 -18.153 1.00 73.03 H new ATOM 0 HD13 LEU A 49 -6.660 -10.412 -16.407 1.00 73.03 H new ATOM 0 HD21 LEU A 49 -9.567 -9.877 -15.538 1.00 11.33 H new ATOM 0 HD22 LEU A 49 -8.160 -9.013 -14.874 1.00 11.33 H new ATOM 0 HD23 LEU A 49 -9.505 -8.100 -15.597 1.00 11.33 H new ATOM 872 N LYS A 50 -7.320 -4.996 -15.698 1.00 1.11 N ATOM 873 CA LYS A 50 -7.443 -4.270 -14.439 1.00 51.40 C ATOM 874 C LYS A 50 -8.113 -2.916 -14.655 1.00 32.44 C ATOM 875 O LYS A 50 -8.437 -2.547 -15.783 1.00 51.41 O ATOM 876 CB LYS A 50 -6.065 -4.072 -13.804 1.00 31.33 C ATOM 877 CG LYS A 50 -5.273 -5.361 -13.656 1.00 51.44 C ATOM 878 CD LYS A 50 -5.743 -6.170 -12.458 1.00 50.53 C ATOM 879 CE LYS A 50 -4.704 -7.199 -12.038 1.00 54.33 C ATOM 880 NZ LYS A 50 -3.721 -6.632 -11.074 1.00 31.13 N ATOM 0 H LYS A 50 -6.468 -4.793 -16.220 1.00 1.11 H new ATOM 0 HA LYS A 50 -8.065 -4.861 -13.767 1.00 51.40 H new ATOM 0 HB2 LYS A 50 -5.492 -3.371 -14.411 1.00 31.33 H new ATOM 0 HB3 LYS A 50 -6.189 -3.616 -12.822 1.00 31.33 H new ATOM 0 HG2 LYS A 50 -5.375 -5.958 -14.562 1.00 51.44 H new ATOM 0 HG3 LYS A 50 -4.214 -5.128 -13.546 1.00 51.44 H new ATOM 0 HD2 LYS A 50 -5.951 -5.500 -11.624 1.00 50.53 H new ATOM 0 HD3 LYS A 50 -6.678 -6.674 -12.702 1.00 50.53 H new ATOM 0 HE2 LYS A 50 -5.203 -8.056 -11.586 1.00 54.33 H new ATOM 0 HE3 LYS A 50 -4.178 -7.565 -12.920 1.00 54.33 H new ATOM 0 HZ1 LYS A 50 -3.030 -7.364 -10.812 1.00 31.13 H new ATOM 0 HZ2 LYS A 50 -3.226 -5.830 -11.514 1.00 31.13 H new ATOM 0 HZ3 LYS A 50 -4.219 -6.306 -10.222 1.00 31.13 H new ATOM 894 N ARG A 51 -8.317 -2.182 -13.566 1.00 22.21 N ATOM 895 CA ARG A 51 -8.948 -0.870 -13.637 1.00 55.30 C ATOM 896 C ARG A 51 -8.022 0.210 -13.086 1.00 25.25 C ATOM 897 O ARG A 51 -7.217 -0.047 -12.191 1.00 72.43 O ATOM 898 CB ARG A 51 -10.266 -0.873 -12.859 1.00 51.53 C ATOM 899 CG ARG A 51 -11.455 -1.346 -13.678 1.00 11.45 C ATOM 900 CD ARG A 51 -11.629 -2.854 -13.586 1.00 33.31 C ATOM 901 NE ARG A 51 -12.369 -3.249 -12.391 1.00 52.31 N ATOM 902 CZ ARG A 51 -12.973 -4.424 -12.255 1.00 23.52 C ATOM 903 NH1 ARG A 51 -12.923 -5.316 -13.235 1.00 54.31 N ATOM 904 NH2 ARG A 51 -13.626 -4.710 -11.136 1.00 22.12 N ATOM 0 H ARG A 51 -8.055 -2.474 -12.624 1.00 22.21 H new ATOM 0 HA ARG A 51 -9.152 -0.648 -14.685 1.00 55.30 H new ATOM 0 HB2 ARG A 51 -10.160 -1.514 -11.984 1.00 51.53 H new ATOM 0 HB3 ARG A 51 -10.465 0.135 -12.494 1.00 51.53 H new ATOM 0 HG2 ARG A 51 -12.361 -0.852 -13.326 1.00 11.45 H new ATOM 0 HG3 ARG A 51 -11.319 -1.057 -14.720 1.00 11.45 H new ATOM 0 HD2 ARG A 51 -12.153 -3.213 -14.472 1.00 33.31 H new ATOM 0 HD3 ARG A 51 -10.649 -3.332 -13.580 1.00 33.31 H new ATOM 0 HE ARG A 51 -12.425 -2.586 -11.618 1.00 52.31 H new ATOM 0 HH11 ARG A 51 -12.420 -5.100 -14.096 1.00 54.31 H new ATOM 0 HH12 ARG A 51 -13.388 -6.218 -13.128 1.00 54.31 H new ATOM 0 HH21 ARG A 51 -13.664 -4.027 -10.379 1.00 22.12 H new ATOM 0 HH22 ARG A 51 -14.090 -5.613 -11.033 1.00 22.12 H new ATOM 918 N ALA A 52 -8.141 1.417 -13.627 1.00 15.11 N ATOM 919 CA ALA A 52 -7.315 2.536 -13.189 1.00 32.01 C ATOM 920 C ALA A 52 -7.630 2.919 -11.747 1.00 31.40 C ATOM 921 O ALA A 52 -6.795 3.499 -11.051 1.00 52.15 O ATOM 922 CB ALA A 52 -7.515 3.731 -14.110 1.00 3.13 C ATOM 0 H ALA A 52 -8.802 1.646 -14.370 1.00 15.11 H new ATOM 0 HA ALA A 52 -6.271 2.226 -13.235 1.00 32.01 H new ATOM 0 HB1 ALA A 52 -6.893 4.559 -13.772 1.00 3.13 H new ATOM 0 HB2 ALA A 52 -7.234 3.458 -15.127 1.00 3.13 H new ATOM 0 HB3 ALA A 52 -8.562 4.033 -14.092 1.00 3.13 H new ATOM 928 N LEU A 53 -8.838 2.590 -11.302 1.00 72.24 N ATOM 929 CA LEU A 53 -9.263 2.899 -9.942 1.00 51.45 C ATOM 930 C LEU A 53 -9.401 1.628 -9.111 1.00 74.51 C ATOM 931 O LEU A 53 -10.003 0.647 -9.552 1.00 44.24 O ATOM 932 CB LEU A 53 -10.592 3.656 -9.962 1.00 11.44 C ATOM 933 CG LEU A 53 -10.689 4.868 -9.034 1.00 72.24 C ATOM 934 CD1 LEU A 53 -11.579 5.938 -9.646 1.00 12.33 C ATOM 935 CD2 LEU A 53 -11.212 4.453 -7.667 1.00 41.03 C ATOM 0 H LEU A 53 -9.540 2.109 -11.864 1.00 72.24 H new ATOM 0 HA LEU A 53 -8.500 3.528 -9.484 1.00 51.45 H new ATOM 0 HB2 LEU A 53 -10.782 3.989 -10.982 1.00 11.44 H new ATOM 0 HB3 LEU A 53 -11.388 2.959 -9.701 1.00 11.44 H new ATOM 0 HG LEU A 53 -9.690 5.285 -8.906 1.00 72.24 H new ATOM 0 HD11 LEU A 53 -11.636 6.793 -8.972 1.00 12.33 H new ATOM 0 HD12 LEU A 53 -11.161 6.256 -10.601 1.00 12.33 H new ATOM 0 HD13 LEU A 53 -12.579 5.533 -9.804 1.00 12.33 H new ATOM 0 HD21 LEU A 53 -11.274 5.328 -7.020 1.00 41.03 H new ATOM 0 HD22 LEU A 53 -12.202 4.011 -7.775 1.00 41.03 H new ATOM 0 HD23 LEU A 53 -10.535 3.723 -7.225 1.00 41.03 H new ATOM 947 N LYS A 54 -8.843 1.650 -7.906 1.00 74.43 N ATOM 948 CA LYS A 54 -8.906 0.501 -7.012 1.00 1.11 C ATOM 949 C LYS A 54 -10.302 0.351 -6.415 1.00 12.20 C ATOM 950 O LYS A 54 -10.817 1.269 -5.780 1.00 50.54 O ATOM 951 CB LYS A 54 -7.874 0.644 -5.890 1.00 20.23 C ATOM 952 CG LYS A 54 -6.518 0.050 -6.232 1.00 51.51 C ATOM 953 CD LYS A 54 -5.621 -0.033 -5.008 1.00 14.42 C ATOM 954 CE LYS A 54 -4.473 -1.007 -5.223 1.00 51.53 C ATOM 955 NZ LYS A 54 -3.580 -0.576 -6.334 1.00 41.33 N ATOM 0 H LYS A 54 -8.341 2.452 -7.526 1.00 74.43 H new ATOM 0 HA LYS A 54 -8.681 -0.392 -7.594 1.00 1.11 H new ATOM 0 HB2 LYS A 54 -7.749 1.701 -5.655 1.00 20.23 H new ATOM 0 HB3 LYS A 54 -8.257 0.160 -4.991 1.00 20.23 H new ATOM 0 HG2 LYS A 54 -6.652 -0.946 -6.654 1.00 51.51 H new ATOM 0 HG3 LYS A 54 -6.036 0.658 -6.997 1.00 51.51 H new ATOM 0 HD2 LYS A 54 -5.223 0.956 -4.780 1.00 14.42 H new ATOM 0 HD3 LYS A 54 -6.209 -0.347 -4.145 1.00 14.42 H new ATOM 0 HE2 LYS A 54 -3.893 -1.093 -4.304 1.00 51.53 H new ATOM 0 HE3 LYS A 54 -4.873 -1.997 -5.442 1.00 51.53 H new ATOM 0 HZ1 LYS A 54 -2.756 -1.209 -6.383 1.00 41.33 H new ATOM 0 HZ2 LYS A 54 -4.101 -0.616 -7.233 1.00 41.33 H new ATOM 0 HZ3 LYS A 54 -3.258 0.398 -6.163 1.00 41.33 H new ATOM 969 N ASN A 55 -10.908 -0.814 -6.624 1.00 45.43 N ATOM 970 CA ASN A 55 -12.245 -1.083 -6.106 1.00 63.02 C ATOM 971 C ASN A 55 -12.319 -2.479 -5.496 1.00 13.23 C ATOM 972 O ASN A 55 -11.512 -3.353 -5.814 1.00 41.32 O ATOM 973 CB ASN A 55 -13.283 -0.945 -7.221 1.00 74.23 C ATOM 974 CG ASN A 55 -13.122 0.343 -8.005 1.00 12.24 C ATOM 975 OD1 ASN A 55 -13.293 1.437 -7.466 1.00 20.35 O ATOM 976 ND2 ASN A 55 -12.793 0.219 -9.285 1.00 33.42 N ATOM 0 H ASN A 55 -10.495 -1.586 -7.148 1.00 45.43 H new ATOM 0 HA ASN A 55 -12.461 -0.353 -5.326 1.00 63.02 H new ATOM 0 HB2 ASN A 55 -13.198 -1.793 -7.900 1.00 74.23 H new ATOM 0 HB3 ASN A 55 -14.283 -0.982 -6.789 1.00 74.23 H new ATOM 0 HD21 ASN A 55 -12.672 1.050 -9.863 1.00 33.42 H new ATOM 0 HD22 ASN A 55 -12.661 -0.708 -9.690 1.00 33.42 H new ATOM 983 N LYS A 56 -13.295 -2.682 -4.617 1.00 21.50 N ATOM 984 CA LYS A 56 -13.479 -3.972 -3.961 1.00 64.14 C ATOM 985 C LYS A 56 -13.560 -5.098 -4.988 1.00 42.34 C ATOM 986 O LYS A 56 -14.486 -5.146 -5.797 1.00 5.10 O ATOM 987 CB LYS A 56 -14.747 -3.956 -3.105 1.00 31.22 C ATOM 988 CG LYS A 56 -14.532 -4.467 -1.691 1.00 13.00 C ATOM 989 CD LYS A 56 -13.608 -3.555 -0.903 1.00 25.32 C ATOM 990 CE LYS A 56 -14.386 -2.489 -0.147 1.00 34.03 C ATOM 991 NZ LYS A 56 -13.550 -1.820 0.887 1.00 44.12 N ATOM 0 H LYS A 56 -13.971 -1.969 -4.342 1.00 21.50 H new ATOM 0 HA LYS A 56 -12.617 -4.151 -3.319 1.00 64.14 H new ATOM 0 HB2 LYS A 56 -15.132 -2.937 -3.060 1.00 31.22 H new ATOM 0 HB3 LYS A 56 -15.511 -4.564 -3.590 1.00 31.22 H new ATOM 0 HG2 LYS A 56 -15.492 -4.543 -1.181 1.00 13.00 H new ATOM 0 HG3 LYS A 56 -14.110 -5.471 -1.726 1.00 13.00 H new ATOM 0 HD2 LYS A 56 -13.024 -4.148 -0.199 1.00 25.32 H new ATOM 0 HD3 LYS A 56 -12.901 -3.078 -1.582 1.00 25.32 H new ATOM 0 HE2 LYS A 56 -14.758 -1.744 -0.850 1.00 34.03 H new ATOM 0 HE3 LYS A 56 -15.256 -2.943 0.327 1.00 34.03 H new ATOM 0 HZ1 LYS A 56 -14.117 -1.101 1.380 1.00 44.12 H new ATOM 0 HZ2 LYS A 56 -13.215 -2.526 1.573 1.00 44.12 H new ATOM 0 HZ3 LYS A 56 -12.733 -1.365 0.432 1.00 44.12 H new ATOM 1005 N ASN A 57 -12.586 -6.000 -4.949 1.00 21.22 N ATOM 1006 CA ASN A 57 -12.549 -7.126 -5.875 1.00 42.44 C ATOM 1007 C ASN A 57 -12.436 -8.447 -5.121 1.00 62.24 C ATOM 1008 O ASN A 57 -11.905 -8.499 -4.012 1.00 20.32 O ATOM 1009 CB ASN A 57 -11.374 -6.977 -6.844 1.00 42.24 C ATOM 1010 CG ASN A 57 -10.031 -7.081 -6.147 1.00 30.13 C ATOM 1011 OD1 ASN A 57 -9.583 -8.308 -5.908 1.00 42.30 O flip ATOM 1012 ND2 ASN A 57 -9.406 -6.071 -5.826 1.00 13.23 N flip ATOM 0 H ASN A 57 -11.811 -5.974 -4.286 1.00 21.22 H new ATOM 0 HA ASN A 57 -13.481 -7.130 -6.441 1.00 42.44 H new ATOM 0 HB2 ASN A 57 -11.441 -7.747 -7.613 1.00 42.24 H new ATOM 0 HB3 ASN A 57 -11.444 -6.014 -7.350 1.00 42.24 H new ATOM 0 HD21 ASN A 57 -9.789 -5.148 -6.030 1.00 13.23 H new ATOM 0 HD22 ASN A 57 -8.505 -6.157 -5.356 1.00 13.23 H new ATOM 1019 N LYS A 58 -12.939 -9.515 -5.732 1.00 61.33 N ATOM 1020 CA LYS A 58 -12.893 -10.838 -5.122 1.00 34.01 C ATOM 1021 C LYS A 58 -11.517 -11.473 -5.299 1.00 41.40 C ATOM 1022 O LYS A 58 -11.173 -11.937 -6.385 1.00 22.31 O ATOM 1023 CB LYS A 58 -13.966 -11.742 -5.734 1.00 41.13 C ATOM 1024 CG LYS A 58 -14.399 -12.877 -4.823 1.00 2.44 C ATOM 1025 CD LYS A 58 -13.534 -14.110 -5.019 1.00 21.25 C ATOM 1026 CE LYS A 58 -14.227 -15.364 -4.506 1.00 52.33 C ATOM 1027 NZ LYS A 58 -13.780 -16.583 -5.235 1.00 53.10 N ATOM 0 H LYS A 58 -13.383 -9.489 -6.650 1.00 61.33 H new ATOM 0 HA LYS A 58 -13.086 -10.725 -4.055 1.00 34.01 H new ATOM 0 HB2 LYS A 58 -14.837 -11.138 -5.986 1.00 41.13 H new ATOM 0 HB3 LYS A 58 -13.588 -12.160 -6.667 1.00 41.13 H new ATOM 0 HG2 LYS A 58 -14.342 -12.553 -3.784 1.00 2.44 H new ATOM 0 HG3 LYS A 58 -15.441 -13.127 -5.022 1.00 2.44 H new ATOM 0 HD2 LYS A 58 -13.302 -14.228 -6.077 1.00 21.25 H new ATOM 0 HD3 LYS A 58 -12.586 -13.978 -4.497 1.00 21.25 H new ATOM 0 HE2 LYS A 58 -14.023 -15.482 -3.442 1.00 52.33 H new ATOM 0 HE3 LYS A 58 -15.306 -15.252 -4.613 1.00 52.33 H new ATOM 0 HZ1 LYS A 58 -14.275 -17.415 -4.856 1.00 53.10 H new ATOM 0 HZ2 LYS A 58 -13.998 -16.482 -6.247 1.00 53.10 H new ATOM 0 HZ3 LYS A 58 -12.754 -16.705 -5.112 1.00 53.10 H new ATOM 1041 N ALA A 59 -10.736 -11.489 -4.224 1.00 31.43 N ATOM 1042 CA ALA A 59 -9.400 -12.070 -4.260 1.00 44.33 C ATOM 1043 C ALA A 59 -9.427 -13.538 -3.849 1.00 43.12 C ATOM 1044 O ALA A 59 -10.233 -13.941 -3.010 1.00 75.13 O ATOM 1045 CB ALA A 59 -8.459 -11.285 -3.358 1.00 62.24 C ATOM 0 H ALA A 59 -11.006 -11.106 -3.318 1.00 31.43 H new ATOM 0 HA ALA A 59 -9.035 -12.014 -5.285 1.00 44.33 H new ATOM 0 HB1 ALA A 59 -7.465 -11.730 -3.394 1.00 62.24 H new ATOM 0 HB2 ALA A 59 -8.407 -10.251 -3.699 1.00 62.24 H new ATOM 0 HB3 ALA A 59 -8.831 -11.311 -2.334 1.00 62.24 H new ATOM 1051 N GLU A 60 -8.542 -14.331 -4.444 1.00 72.20 N ATOM 1052 CA GLU A 60 -8.468 -15.755 -4.139 1.00 23.31 C ATOM 1053 C GLU A 60 -8.056 -15.980 -2.687 1.00 64.23 C ATOM 1054 O GLU A 60 -8.432 -16.977 -2.073 1.00 32.23 O ATOM 1055 CB GLU A 60 -7.476 -16.449 -5.076 1.00 13.51 C ATOM 1056 CG GLU A 60 -7.920 -16.464 -6.529 1.00 42.23 C ATOM 1057 CD GLU A 60 -6.808 -16.877 -7.474 1.00 54.41 C ATOM 1058 OE1 GLU A 60 -6.234 -17.967 -7.275 1.00 23.42 O ATOM 1059 OE2 GLU A 60 -6.515 -16.109 -8.415 1.00 23.54 O ATOM 0 H GLU A 60 -7.867 -14.012 -5.139 1.00 72.20 H new ATOM 0 HA GLU A 60 -9.459 -16.184 -4.288 1.00 23.31 H new ATOM 0 HB2 GLU A 60 -6.511 -15.948 -5.005 1.00 13.51 H new ATOM 0 HB3 GLU A 60 -7.328 -17.475 -4.739 1.00 13.51 H new ATOM 0 HG2 GLU A 60 -8.760 -17.149 -6.641 1.00 42.23 H new ATOM 0 HG3 GLU A 60 -8.278 -15.472 -6.806 1.00 42.23 H new TER 1066 GLU A 60 HETATM 1067 ZN ZN A 100 4.087 12.871 -4.647 1.00 31.34 ZN