USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 440 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 1 MET N :NH3+ 145:sc= 0.864 (180deg=-0.867) USER MOD Set 1.2: A 14 SER OG : rot 180:sc= 0.935 USER MOD Set 2.1: A 1 MET CE :methyl -108:sc= -3.57 (180deg=-5.82!) USER MOD Set 2.2: A 8 SER OG : rot -62:sc= -0.783 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -130:sc= -4.83! (180deg=-8.14!) USER MOD Single : A 50 SER OG : rot 112:sc= 0.411 USER MOD Single : A 51 HIS : no HE2:sc= -1.07 K(o=-1.1,f=-2.3!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0215 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.288 4.616 0.674 1.00 0.00 N ATOM 2 CA MET A 1 -6.160 4.491 1.587 1.00 0.00 C ATOM 3 C MET A 1 -6.566 4.863 3.007 1.00 0.00 C ATOM 4 O MET A 1 -7.332 5.801 3.221 1.00 0.00 O ATOM 5 CB MET A 1 -4.998 5.376 1.129 1.00 0.00 C ATOM 6 CG MET A 1 -5.359 6.849 1.027 1.00 0.00 C ATOM 7 SD MET A 1 -5.217 7.709 2.606 1.00 0.00 S ATOM 8 CE MET A 1 -3.484 7.446 2.978 1.00 0.00 C ATOM 0 H1 MET A 1 -6.950 4.945 -0.253 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.751 3.691 0.565 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.970 5.302 1.057 1.00 0.00 H new ATOM 0 HA MET A 1 -5.837 3.450 1.580 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.168 5.261 1.826 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.648 5.028 0.157 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.708 7.329 0.296 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.379 6.944 0.656 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.392 6.729 3.794 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.977 7.057 2.095 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.027 8.391 3.272 1.00 0.00 H new ATOM 18 N ILE A 2 -6.052 4.111 3.974 1.00 0.00 N ATOM 19 CA ILE A 2 -6.343 4.364 5.379 1.00 0.00 C ATOM 20 C ILE A 2 -5.882 5.771 5.768 1.00 0.00 C ATOM 21 O ILE A 2 -4.812 6.217 5.360 1.00 0.00 O ATOM 22 CB ILE A 2 -5.666 3.297 6.282 1.00 0.00 C ATOM 23 CG1 ILE A 2 -6.388 1.954 6.138 1.00 0.00 C ATOM 24 CG2 ILE A 2 -5.642 3.717 7.750 1.00 0.00 C ATOM 25 CD1 ILE A 2 -6.327 1.372 4.743 1.00 0.00 C ATOM 0 H ILE A 2 -5.430 3.319 3.809 1.00 0.00 H new ATOM 0 HA ILE A 2 -7.421 4.297 5.527 1.00 0.00 H new ATOM 0 HB ILE A 2 -4.632 3.198 5.951 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -5.952 1.241 6.838 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.432 2.082 6.423 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -5.159 2.940 8.343 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -5.087 4.649 7.853 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.663 3.862 8.104 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.860 0.422 4.722 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -6.790 2.064 4.040 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -5.286 1.210 4.461 1.00 0.00 H new ATOM 37 N PRO A 3 -6.701 6.501 6.539 1.00 0.00 N ATOM 38 CA PRO A 3 -6.362 7.849 6.996 1.00 0.00 C ATOM 39 C PRO A 3 -5.410 7.803 8.174 1.00 0.00 C ATOM 40 O PRO A 3 -5.084 6.722 8.664 1.00 0.00 O ATOM 41 CB PRO A 3 -7.714 8.391 7.441 1.00 0.00 C ATOM 42 CG PRO A 3 -8.384 7.190 8.007 1.00 0.00 C ATOM 43 CD PRO A 3 -7.999 6.055 7.090 1.00 0.00 C ATOM 0 HA PRO A 3 -5.867 8.449 6.233 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.608 9.182 8.184 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.275 8.811 6.606 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -8.055 7.000 9.029 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.466 7.321 8.040 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -7.906 5.113 7.630 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -8.739 5.901 6.305 1.00 0.00 H new ATOM 51 N VAL A 4 -4.990 8.968 8.652 1.00 0.00 N ATOM 52 CA VAL A 4 -4.117 9.019 9.813 1.00 0.00 C ATOM 53 C VAL A 4 -2.759 8.383 9.501 1.00 0.00 C ATOM 54 O VAL A 4 -1.759 9.077 9.318 1.00 0.00 O ATOM 55 CB VAL A 4 -4.815 8.314 11.017 1.00 0.00 C ATOM 56 CG1 VAL A 4 -3.832 7.640 11.974 1.00 0.00 C ATOM 57 CG2 VAL A 4 -5.679 9.317 11.769 1.00 0.00 C ATOM 0 H VAL A 4 -5.236 9.876 8.259 1.00 0.00 H new ATOM 0 HA VAL A 4 -3.931 10.060 10.079 1.00 0.00 H new ATOM 0 HB VAL A 4 -5.436 7.519 10.604 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -4.382 7.169 12.788 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.261 6.883 11.436 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -3.150 8.387 12.381 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.165 8.821 12.609 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.054 10.130 12.139 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.437 9.720 11.097 1.00 0.00 H new ATOM 67 N ARG A 5 -2.739 7.059 9.473 1.00 0.00 N ATOM 68 CA ARG A 5 -1.523 6.305 9.217 1.00 0.00 C ATOM 69 C ARG A 5 -0.839 6.756 7.932 1.00 0.00 C ATOM 70 O ARG A 5 -1.304 7.672 7.254 1.00 0.00 O ATOM 71 CB ARG A 5 -1.857 4.819 9.137 1.00 0.00 C ATOM 72 CG ARG A 5 -0.929 3.942 9.960 1.00 0.00 C ATOM 73 CD ARG A 5 -1.072 4.226 11.447 1.00 0.00 C ATOM 74 NE ARG A 5 -2.029 3.326 12.086 1.00 0.00 N ATOM 75 CZ ARG A 5 -2.555 3.543 13.286 1.00 0.00 C ATOM 76 NH1 ARG A 5 -2.219 4.625 13.974 1.00 0.00 N ATOM 77 NH2 ARG A 5 -3.419 2.677 13.800 1.00 0.00 N ATOM 0 H ARG A 5 -3.564 6.479 9.627 1.00 0.00 H new ATOM 0 HA ARG A 5 -0.830 6.487 10.039 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.882 4.667 9.475 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.815 4.501 8.095 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -1.150 2.893 9.765 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.103 4.113 9.653 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.100 4.125 11.931 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -1.393 5.258 11.590 1.00 0.00 H new ATOM 0 HE ARG A 5 -2.309 2.484 11.583 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -1.555 5.293 13.582 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -2.624 4.790 14.895 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -3.680 1.843 13.273 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -3.822 2.845 14.722 1.00 0.00 H new ATOM 91 N CYS A 6 0.271 6.100 7.605 1.00 0.00 N ATOM 92 CA CYS A 6 1.035 6.431 6.409 1.00 0.00 C ATOM 93 C CYS A 6 0.801 5.413 5.304 1.00 0.00 C ATOM 94 O CYS A 6 1.393 4.336 5.303 1.00 0.00 O ATOM 95 CB CYS A 6 2.528 6.507 6.738 1.00 0.00 C ATOM 96 SG CYS A 6 3.317 8.053 6.233 1.00 0.00 S ATOM 0 H CYS A 6 0.661 5.334 8.154 1.00 0.00 H new ATOM 0 HA CYS A 6 0.694 7.404 6.054 1.00 0.00 H new ATOM 0 HB2 CYS A 6 2.659 6.379 7.812 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.039 5.675 6.253 1.00 0.00 H new ATOM 101 N LEU A 7 -0.060 5.770 4.361 1.00 0.00 N ATOM 102 CA LEU A 7 -0.352 4.922 3.219 1.00 0.00 C ATOM 103 C LEU A 7 -0.320 5.759 1.948 1.00 0.00 C ATOM 104 O LEU A 7 -1.227 5.696 1.124 1.00 0.00 O ATOM 105 CB LEU A 7 -1.728 4.270 3.366 1.00 0.00 C ATOM 106 CG LEU A 7 -1.935 3.337 4.570 1.00 0.00 C ATOM 107 CD1 LEU A 7 -0.674 2.554 4.913 1.00 0.00 C ATOM 108 CD2 LEU A 7 -2.410 4.132 5.774 1.00 0.00 C ATOM 0 H LEU A 7 -0.572 6.652 4.368 1.00 0.00 H new ATOM 0 HA LEU A 7 0.401 4.136 3.166 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.474 5.063 3.420 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.932 3.702 2.458 1.00 0.00 H new ATOM 0 HG LEU A 7 -2.700 2.611 4.294 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -0.868 1.909 5.770 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -0.381 1.944 4.058 1.00 0.00 H new ATOM 0 HD13 LEU A 7 0.130 3.248 5.157 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.553 3.460 6.620 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -1.664 4.885 6.030 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.354 4.623 5.537 1.00 0.00 H new ATOM 120 N SER A 8 0.708 6.587 1.834 1.00 0.00 N ATOM 121 CA SER A 8 0.868 7.469 0.684 1.00 0.00 C ATOM 122 C SER A 8 2.144 8.297 0.811 1.00 0.00 C ATOM 123 O SER A 8 3.002 8.273 -0.072 1.00 0.00 O ATOM 124 CB SER A 8 -0.342 8.396 0.554 1.00 0.00 C ATOM 125 OG SER A 8 -1.280 7.883 -0.377 1.00 0.00 O ATOM 0 H SER A 8 1.450 6.668 2.529 1.00 0.00 H new ATOM 0 HA SER A 8 0.942 6.851 -0.211 1.00 0.00 H new ATOM 0 HB2 SER A 8 -0.819 8.516 1.527 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.013 9.386 0.236 1.00 0.00 H new ATOM 0 HG SER A 8 -0.867 7.835 -1.264 1.00 0.00 H new ATOM 131 N CYS A 9 2.260 9.026 1.916 1.00 0.00 N ATOM 132 CA CYS A 9 3.436 9.853 2.170 1.00 0.00 C ATOM 133 C CYS A 9 3.553 10.994 1.160 1.00 0.00 C ATOM 134 O CYS A 9 4.606 11.621 1.045 1.00 0.00 O ATOM 135 CB CYS A 9 4.702 8.996 2.128 1.00 0.00 C ATOM 136 SG CYS A 9 5.711 9.097 3.626 1.00 0.00 S ATOM 0 H CYS A 9 1.554 9.061 2.651 1.00 0.00 H new ATOM 0 HA CYS A 9 3.322 10.290 3.162 1.00 0.00 H new ATOM 0 HB2 CYS A 9 4.419 7.956 1.963 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.307 9.301 1.274 1.00 0.00 H new ATOM 141 N GLY A 10 2.470 11.268 0.437 1.00 0.00 N ATOM 142 CA GLY A 10 2.490 12.338 -0.543 1.00 0.00 C ATOM 143 C GLY A 10 1.758 11.968 -1.816 1.00 0.00 C ATOM 144 O GLY A 10 1.169 12.827 -2.475 1.00 0.00 O ATOM 0 H GLY A 10 1.583 10.770 0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.036 13.230 -0.112 1.00 0.00 H new ATOM 0 HA3 GLY A 10 3.523 12.590 -0.781 1.00 0.00 H new ATOM 148 N LYS A 11 1.799 10.689 -2.166 1.00 0.00 N ATOM 149 CA LYS A 11 1.140 10.206 -3.372 1.00 0.00 C ATOM 150 C LYS A 11 0.066 9.177 -3.030 1.00 0.00 C ATOM 151 O LYS A 11 0.284 8.297 -2.198 1.00 0.00 O ATOM 152 CB LYS A 11 2.170 9.594 -4.322 1.00 0.00 C ATOM 153 CG LYS A 11 2.572 10.519 -5.455 1.00 0.00 C ATOM 154 CD LYS A 11 3.189 11.798 -4.919 1.00 0.00 C ATOM 155 CE LYS A 11 2.501 13.031 -5.481 1.00 0.00 C ATOM 156 NZ LYS A 11 3.455 14.154 -5.689 1.00 0.00 N ATOM 0 H LYS A 11 2.282 9.967 -1.631 1.00 0.00 H new ATOM 0 HA LYS A 11 0.659 11.052 -3.863 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.059 9.320 -3.754 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.764 8.674 -4.742 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.284 10.013 -6.107 1.00 0.00 H new ATOM 0 HG3 LYS A 11 1.698 10.759 -6.061 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.121 11.807 -3.831 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.249 11.825 -5.172 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.024 12.780 -6.428 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.711 13.348 -4.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.946 14.975 -6.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 3.892 14.411 -4.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 4.195 13.861 -6.359 1.00 0.00 H new ATOM 170 N PRO A 12 -1.115 9.273 -3.666 1.00 0.00 N ATOM 171 CA PRO A 12 -2.223 8.343 -3.416 1.00 0.00 C ATOM 172 C PRO A 12 -1.826 6.891 -3.666 1.00 0.00 C ATOM 173 O PRO A 12 -1.156 6.582 -4.651 1.00 0.00 O ATOM 174 CB PRO A 12 -3.299 8.779 -4.415 1.00 0.00 C ATOM 175 CG PRO A 12 -2.965 10.192 -4.749 1.00 0.00 C ATOM 176 CD PRO A 12 -1.468 10.292 -4.672 1.00 0.00 C ATOM 0 HA PRO A 12 -2.552 8.378 -2.377 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.289 8.150 -5.305 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.296 8.701 -3.981 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.323 10.453 -5.745 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.439 10.881 -4.050 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.000 10.086 -5.635 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.146 11.288 -4.367 1.00 0.00 H new ATOM 184 N VAL A 13 -2.249 6.004 -2.771 1.00 0.00 N ATOM 185 CA VAL A 13 -1.949 4.582 -2.902 1.00 0.00 C ATOM 186 C VAL A 13 -3.207 3.777 -3.249 1.00 0.00 C ATOM 187 O VAL A 13 -3.116 2.629 -3.684 1.00 0.00 O ATOM 188 CB VAL A 13 -1.302 4.016 -1.617 1.00 0.00 C ATOM 189 CG1 VAL A 13 -0.138 4.894 -1.178 1.00 0.00 C ATOM 190 CG2 VAL A 13 -2.323 3.889 -0.494 1.00 0.00 C ATOM 0 H VAL A 13 -2.800 6.244 -1.947 1.00 0.00 H new ATOM 0 HA VAL A 13 -1.234 4.484 -3.719 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.925 3.018 -1.843 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.307 4.482 -0.272 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.612 4.926 -1.968 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.498 5.903 -0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.837 3.488 0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.740 4.871 -0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.123 3.217 -0.804 1.00 0.00 H new ATOM 200 N SER A 14 -4.377 4.388 -3.062 1.00 0.00 N ATOM 201 CA SER A 14 -5.643 3.725 -3.358 1.00 0.00 C ATOM 202 C SER A 14 -5.722 3.322 -4.827 1.00 0.00 C ATOM 203 O SER A 14 -5.937 2.155 -5.150 1.00 0.00 O ATOM 204 CB SER A 14 -6.818 4.643 -3.011 1.00 0.00 C ATOM 205 OG SER A 14 -6.491 5.514 -1.943 1.00 0.00 O ATOM 0 H SER A 14 -4.472 5.340 -2.707 1.00 0.00 H new ATOM 0 HA SER A 14 -5.698 2.823 -2.749 1.00 0.00 H new ATOM 0 HB2 SER A 14 -7.097 5.228 -3.888 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.685 4.041 -2.740 1.00 0.00 H new ATOM 0 HG SER A 14 -7.259 6.090 -1.744 1.00 0.00 H new ATOM 211 N ALA A 15 -5.556 4.296 -5.714 1.00 0.00 N ATOM 212 CA ALA A 15 -5.610 4.034 -7.146 1.00 0.00 C ATOM 213 C ALA A 15 -4.615 2.947 -7.539 1.00 0.00 C ATOM 214 O ALA A 15 -4.849 2.187 -8.478 1.00 0.00 O ATOM 215 CB ALA A 15 -5.338 5.310 -7.928 1.00 0.00 C ATOM 0 H ALA A 15 -5.384 5.271 -5.468 1.00 0.00 H new ATOM 0 HA ALA A 15 -6.612 3.681 -7.390 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.382 5.098 -8.996 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -6.089 6.059 -7.675 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.348 5.689 -7.673 1.00 0.00 H new ATOM 221 N TYR A 16 -3.505 2.879 -6.811 1.00 0.00 N ATOM 222 CA TYR A 16 -2.468 1.896 -7.087 1.00 0.00 C ATOM 223 C TYR A 16 -2.744 0.581 -6.362 1.00 0.00 C ATOM 224 O TYR A 16 -2.322 -0.485 -6.812 1.00 0.00 O ATOM 225 CB TYR A 16 -1.108 2.450 -6.672 1.00 0.00 C ATOM 226 CG TYR A 16 -0.398 3.200 -7.779 1.00 0.00 C ATOM 227 CD1 TYR A 16 0.181 2.521 -8.844 1.00 0.00 C ATOM 228 CD2 TYR A 16 -0.319 4.587 -7.764 1.00 0.00 C ATOM 229 CE1 TYR A 16 0.828 3.202 -9.857 1.00 0.00 C ATOM 230 CE2 TYR A 16 0.326 5.275 -8.773 1.00 0.00 C ATOM 231 CZ TYR A 16 0.897 4.579 -9.817 1.00 0.00 C ATOM 232 OH TYR A 16 1.541 5.261 -10.825 1.00 0.00 O ATOM 0 H TYR A 16 -3.302 3.495 -6.024 1.00 0.00 H new ATOM 0 HA TYR A 16 -2.466 1.693 -8.158 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -1.241 3.116 -5.820 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -0.476 1.627 -6.338 1.00 0.00 H new ATOM 0 HD1 TYR A 16 0.124 1.443 -8.881 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -0.769 5.136 -6.950 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.277 2.659 -10.676 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.383 6.353 -8.744 1.00 0.00 H new ATOM 0 HH TYR A 16 1.499 6.224 -10.647 1.00 0.00 H new ATOM 242 N PHE A 17 -3.456 0.659 -5.239 1.00 0.00 N ATOM 243 CA PHE A 17 -3.790 -0.534 -4.462 1.00 0.00 C ATOM 244 C PHE A 17 -4.337 -1.633 -5.368 1.00 0.00 C ATOM 245 O PHE A 17 -4.193 -2.820 -5.077 1.00 0.00 O ATOM 246 CB PHE A 17 -4.814 -0.200 -3.370 1.00 0.00 C ATOM 247 CG PHE A 17 -4.209 0.210 -2.052 1.00 0.00 C ATOM 248 CD1 PHE A 17 -2.874 0.580 -1.958 1.00 0.00 C ATOM 249 CD2 PHE A 17 -4.987 0.231 -0.905 1.00 0.00 C ATOM 250 CE1 PHE A 17 -2.328 0.954 -0.745 1.00 0.00 C ATOM 251 CE2 PHE A 17 -4.446 0.607 0.311 1.00 0.00 C ATOM 252 CZ PHE A 17 -3.116 0.969 0.391 1.00 0.00 C ATOM 0 H PHE A 17 -3.811 1.531 -4.848 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.876 -0.893 -3.989 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.457 0.605 -3.726 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.451 -1.070 -3.208 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.255 0.575 -2.843 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -6.028 -0.050 -0.962 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.287 1.234 -0.684 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -5.063 0.617 1.197 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.692 1.263 1.340 1.00 0.00 H new ATOM 262 N ASN A 18 -4.953 -1.226 -6.473 1.00 0.00 N ATOM 263 CA ASN A 18 -5.495 -2.175 -7.435 1.00 0.00 C ATOM 264 C ASN A 18 -4.377 -3.033 -8.017 1.00 0.00 C ATOM 265 O ASN A 18 -4.539 -4.238 -8.211 1.00 0.00 O ATOM 266 CB ASN A 18 -6.230 -1.439 -8.557 1.00 0.00 C ATOM 267 CG ASN A 18 -7.699 -1.230 -8.245 1.00 0.00 C ATOM 268 OD1 ASN A 18 -8.532 -2.096 -8.511 1.00 0.00 O ATOM 269 ND2 ASN A 18 -8.024 -0.075 -7.676 1.00 0.00 N ATOM 0 H ASN A 18 -5.089 -0.246 -6.723 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.205 -2.822 -6.919 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -5.756 -0.472 -8.725 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -6.135 -2.006 -9.483 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -8.997 0.122 -7.442 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -7.301 0.615 -7.473 1.00 0.00 H new ATOM 276 N GLU A 19 -3.236 -2.403 -8.277 1.00 0.00 N ATOM 277 CA GLU A 19 -2.078 -3.108 -8.810 1.00 0.00 C ATOM 278 C GLU A 19 -1.624 -4.187 -7.837 1.00 0.00 C ATOM 279 O GLU A 19 -1.471 -5.351 -8.209 1.00 0.00 O ATOM 280 CB GLU A 19 -0.933 -2.126 -9.075 1.00 0.00 C ATOM 281 CG GLU A 19 -0.091 -2.487 -10.288 1.00 0.00 C ATOM 282 CD GLU A 19 -0.769 -2.132 -11.595 1.00 0.00 C ATOM 283 OE1 GLU A 19 -1.993 -2.350 -11.708 1.00 0.00 O ATOM 284 OE2 GLU A 19 -0.075 -1.638 -12.508 1.00 0.00 O ATOM 0 H GLU A 19 -3.089 -1.405 -8.127 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.362 -3.579 -9.751 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.347 -1.127 -9.214 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.290 -2.085 -8.196 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.867 -1.970 -10.228 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.122 -3.556 -10.272 1.00 0.00 H new ATOM 291 N TYR A 20 -1.429 -3.795 -6.583 1.00 0.00 N ATOM 292 CA TYR A 20 -1.025 -4.729 -5.543 1.00 0.00 C ATOM 293 C TYR A 20 -1.984 -5.913 -5.492 1.00 0.00 C ATOM 294 O TYR A 20 -1.565 -7.070 -5.466 1.00 0.00 O ATOM 295 CB TYR A 20 -0.998 -4.020 -4.187 1.00 0.00 C ATOM 296 CG TYR A 20 -0.824 -4.949 -3.005 1.00 0.00 C ATOM 297 CD1 TYR A 20 -1.914 -5.603 -2.446 1.00 0.00 C ATOM 298 CD2 TYR A 20 0.429 -5.166 -2.446 1.00 0.00 C ATOM 299 CE1 TYR A 20 -1.760 -6.451 -1.366 1.00 0.00 C ATOM 300 CE2 TYR A 20 0.590 -6.011 -1.364 1.00 0.00 C ATOM 301 CZ TYR A 20 -0.507 -6.653 -0.830 1.00 0.00 C ATOM 302 OH TYR A 20 -0.350 -7.495 0.246 1.00 0.00 O ATOM 0 H TYR A 20 -1.545 -2.833 -6.263 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.026 -5.098 -5.773 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.186 -3.293 -4.186 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -1.926 -3.462 -4.063 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -2.898 -5.446 -2.862 1.00 0.00 H new ATOM 0 HD2 TYR A 20 1.291 -4.667 -2.863 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.618 -6.953 -0.944 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.570 -6.168 -0.939 1.00 0.00 H new ATOM 0 HH TYR A 20 0.596 -7.528 0.501 1.00 0.00 H new ATOM 312 N GLN A 21 -3.275 -5.606 -5.478 1.00 0.00 N ATOM 313 CA GLN A 21 -4.308 -6.633 -5.431 1.00 0.00 C ATOM 314 C GLN A 21 -4.164 -7.602 -6.600 1.00 0.00 C ATOM 315 O GLN A 21 -3.995 -8.806 -6.405 1.00 0.00 O ATOM 316 CB GLN A 21 -5.695 -5.990 -5.460 1.00 0.00 C ATOM 317 CG GLN A 21 -6.834 -6.994 -5.418 1.00 0.00 C ATOM 318 CD GLN A 21 -8.099 -6.415 -4.815 1.00 0.00 C ATOM 319 OE1 GLN A 21 -8.823 -5.663 -5.467 1.00 0.00 O ATOM 320 NE2 GLN A 21 -8.370 -6.764 -3.563 1.00 0.00 N ATOM 0 H GLN A 21 -3.632 -4.651 -5.499 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.190 -7.190 -4.501 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -5.789 -5.311 -4.612 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.787 -5.387 -6.363 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -7.044 -7.342 -6.429 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -6.525 -7.864 -4.839 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.741 -7.390 -3.061 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -9.207 -6.406 -3.104 1.00 0.00 H new ATOM 329 N ARG A 22 -4.232 -7.068 -7.814 1.00 0.00 N ATOM 330 CA ARG A 22 -4.111 -7.884 -9.016 1.00 0.00 C ATOM 331 C ARG A 22 -2.855 -8.748 -8.966 1.00 0.00 C ATOM 332 O ARG A 22 -2.916 -9.960 -9.168 1.00 0.00 O ATOM 333 CB ARG A 22 -4.079 -6.992 -10.258 1.00 0.00 C ATOM 334 CG ARG A 22 -3.838 -7.754 -11.551 1.00 0.00 C ATOM 335 CD ARG A 22 -4.189 -6.912 -12.766 1.00 0.00 C ATOM 336 NE ARG A 22 -4.138 -7.685 -14.003 1.00 0.00 N ATOM 337 CZ ARG A 22 -3.014 -7.944 -14.663 1.00 0.00 C ATOM 338 NH1 ARG A 22 -1.854 -7.496 -14.204 1.00 0.00 N ATOM 339 NH2 ARG A 22 -3.050 -8.653 -15.782 1.00 0.00 N ATOM 0 H ARG A 22 -4.370 -6.073 -7.992 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.979 -8.541 -9.068 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.025 -6.455 -10.334 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.296 -6.243 -10.137 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.792 -8.057 -11.607 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -4.435 -8.666 -11.554 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.188 -6.495 -12.641 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.499 -6.071 -12.836 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.013 -8.046 -14.382 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.823 -6.951 -13.342 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.993 -7.696 -14.712 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -3.941 -9.000 -16.137 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.187 -8.851 -16.288 1.00 0.00 H new ATOM 353 N ARG A 23 -1.717 -8.116 -8.695 1.00 0.00 N ATOM 354 CA ARG A 23 -0.448 -8.829 -8.623 1.00 0.00 C ATOM 355 C ARG A 23 -0.477 -9.890 -7.527 1.00 0.00 C ATOM 356 O ARG A 23 -0.390 -11.086 -7.806 1.00 0.00 O ATOM 357 CB ARG A 23 0.699 -7.850 -8.366 1.00 0.00 C ATOM 358 CG ARG A 23 1.490 -7.505 -9.618 1.00 0.00 C ATOM 359 CD ARG A 23 0.760 -6.484 -10.474 1.00 0.00 C ATOM 360 NE ARG A 23 1.139 -6.576 -11.880 1.00 0.00 N ATOM 361 CZ ARG A 23 2.261 -6.063 -12.376 1.00 0.00 C ATOM 362 NH1 ARG A 23 3.109 -5.425 -11.581 1.00 0.00 N ATOM 363 NH2 ARG A 23 2.535 -6.187 -13.667 1.00 0.00 N ATOM 0 H ARG A 23 -1.649 -7.113 -8.522 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.288 -9.325 -9.580 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.295 -6.933 -7.936 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.374 -8.279 -7.625 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.467 -7.113 -9.336 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.666 -8.410 -10.200 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.315 -6.634 -10.378 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.976 -5.481 -10.105 1.00 0.00 H new ATOM 0 HE ARG A 23 0.508 -7.061 -12.518 1.00 0.00 H new ATOM 0 HH11 ARG A 23 2.901 -5.327 -10.587 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.969 -5.032 -11.963 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.885 -6.677 -14.282 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.396 -5.793 -14.046 1.00 0.00 H new ATOM 377 N VAL A 24 -0.599 -9.443 -6.281 1.00 0.00 N ATOM 378 CA VAL A 24 -0.639 -10.355 -5.143 1.00 0.00 C ATOM 379 C VAL A 24 -1.638 -11.484 -5.377 1.00 0.00 C ATOM 380 O VAL A 24 -1.459 -12.597 -4.884 1.00 0.00 O ATOM 381 CB VAL A 24 -1.007 -9.618 -3.841 1.00 0.00 C ATOM 382 CG1 VAL A 24 -1.016 -10.581 -2.665 1.00 0.00 C ATOM 383 CG2 VAL A 24 -0.048 -8.464 -3.589 1.00 0.00 C ATOM 0 H VAL A 24 -0.672 -8.456 -6.034 1.00 0.00 H new ATOM 0 HA VAL A 24 0.362 -10.775 -5.041 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.011 -9.207 -3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.278 -10.041 -1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.749 -11.368 -2.844 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.027 -11.026 -2.551 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.325 -7.956 -2.665 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.968 -8.848 -3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.100 -7.760 -4.419 1.00 0.00 H new ATOM 393 N ALA A 25 -2.688 -11.189 -6.137 1.00 0.00 N ATOM 394 CA ALA A 25 -3.712 -12.181 -6.443 1.00 0.00 C ATOM 395 C ALA A 25 -3.128 -13.335 -7.249 1.00 0.00 C ATOM 396 O ALA A 25 -3.210 -14.495 -6.842 1.00 0.00 O ATOM 397 CB ALA A 25 -4.863 -11.535 -7.199 1.00 0.00 C ATOM 0 H ALA A 25 -2.852 -10.272 -6.552 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.091 -12.582 -5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.620 -12.287 -7.421 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.303 -10.747 -6.588 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.492 -11.108 -8.131 1.00 0.00 H new ATOM 403 N ASP A 26 -2.535 -13.010 -8.394 1.00 0.00 N ATOM 404 CA ASP A 26 -1.931 -14.019 -9.254 1.00 0.00 C ATOM 405 C ASP A 26 -0.728 -14.662 -8.575 1.00 0.00 C ATOM 406 O ASP A 26 -0.410 -15.826 -8.820 1.00 0.00 O ATOM 407 CB ASP A 26 -1.504 -13.394 -10.584 1.00 0.00 C ATOM 408 CG ASP A 26 -2.597 -13.458 -11.632 1.00 0.00 C ATOM 409 OD1 ASP A 26 -3.785 -13.516 -11.248 1.00 0.00 O ATOM 410 OD2 ASP A 26 -2.267 -13.450 -12.836 1.00 0.00 O ATOM 0 H ASP A 26 -2.461 -12.056 -8.747 1.00 0.00 H new ATOM 0 HA ASP A 26 -2.676 -14.792 -9.444 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.223 -12.354 -10.419 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -0.618 -13.908 -10.956 1.00 0.00 H new ATOM 415 N GLY A 27 -0.060 -13.895 -7.719 1.00 0.00 N ATOM 416 CA GLY A 27 1.104 -14.404 -7.017 1.00 0.00 C ATOM 417 C GLY A 27 2.367 -13.641 -7.361 1.00 0.00 C ATOM 418 O GLY A 27 3.466 -14.194 -7.318 1.00 0.00 O ATOM 0 H GLY A 27 -0.304 -12.929 -7.499 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.930 -14.347 -5.942 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.241 -15.457 -7.263 1.00 0.00 H new ATOM 422 N GLU A 28 2.212 -12.366 -7.705 1.00 0.00 N ATOM 423 CA GLU A 28 3.346 -11.525 -8.058 1.00 0.00 C ATOM 424 C GLU A 28 3.953 -10.881 -6.817 1.00 0.00 C ATOM 425 O GLU A 28 3.244 -10.563 -5.861 1.00 0.00 O ATOM 426 CB GLU A 28 2.913 -10.442 -9.047 1.00 0.00 C ATOM 427 CG GLU A 28 2.276 -10.994 -10.313 1.00 0.00 C ATOM 428 CD GLU A 28 2.769 -10.297 -11.566 1.00 0.00 C ATOM 429 OE1 GLU A 28 3.518 -9.307 -11.440 1.00 0.00 O ATOM 430 OE2 GLU A 28 2.405 -10.743 -12.675 1.00 0.00 O ATOM 0 H GLU A 28 1.309 -11.894 -7.746 1.00 0.00 H new ATOM 0 HA GLU A 28 4.103 -12.155 -8.525 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.205 -9.775 -8.555 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.781 -9.842 -9.319 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.489 -12.060 -10.387 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.193 -10.889 -10.246 1.00 0.00 H new ATOM 437 N ASP A 29 5.267 -10.690 -6.837 1.00 0.00 N ATOM 438 CA ASP A 29 5.968 -10.076 -5.717 1.00 0.00 C ATOM 439 C ASP A 29 5.384 -8.699 -5.405 1.00 0.00 C ATOM 440 O ASP A 29 5.578 -7.751 -6.165 1.00 0.00 O ATOM 441 CB ASP A 29 7.460 -9.946 -6.036 1.00 0.00 C ATOM 442 CG ASP A 29 8.280 -11.068 -5.428 1.00 0.00 C ATOM 443 OD1 ASP A 29 8.582 -10.994 -4.218 1.00 0.00 O ATOM 444 OD2 ASP A 29 8.621 -12.019 -6.162 1.00 0.00 O ATOM 0 H ASP A 29 5.869 -10.952 -7.618 1.00 0.00 H new ATOM 0 HA ASP A 29 5.842 -10.715 -4.843 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.599 -9.943 -7.117 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.826 -8.989 -5.664 1.00 0.00 H new ATOM 449 N PRO A 30 4.645 -8.568 -4.287 1.00 0.00 N ATOM 450 CA PRO A 30 4.038 -7.293 -3.897 1.00 0.00 C ATOM 451 C PRO A 30 5.075 -6.186 -3.777 1.00 0.00 C ATOM 452 O PRO A 30 4.866 -5.072 -4.257 1.00 0.00 O ATOM 453 CB PRO A 30 3.407 -7.584 -2.535 1.00 0.00 C ATOM 454 CG PRO A 30 3.238 -9.064 -2.494 1.00 0.00 C ATOM 455 CD PRO A 30 4.357 -9.638 -3.317 1.00 0.00 C ATOM 0 HA PRO A 30 3.319 -6.942 -4.637 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.046 -7.237 -1.722 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.449 -7.075 -2.427 1.00 0.00 H new ATOM 0 HG2 PRO A 30 3.281 -9.432 -1.469 1.00 0.00 H new ATOM 0 HG3 PRO A 30 2.269 -9.356 -2.898 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.228 -9.872 -2.705 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.059 -10.562 -3.813 1.00 0.00 H new ATOM 463 N LYS A 31 6.206 -6.501 -3.148 1.00 0.00 N ATOM 464 CA LYS A 31 7.287 -5.535 -2.994 1.00 0.00 C ATOM 465 C LYS A 31 7.614 -4.897 -4.337 1.00 0.00 C ATOM 466 O LYS A 31 7.885 -3.698 -4.422 1.00 0.00 O ATOM 467 CB LYS A 31 8.526 -6.208 -2.407 1.00 0.00 C ATOM 468 CG LYS A 31 8.926 -5.660 -1.046 1.00 0.00 C ATOM 469 CD LYS A 31 9.740 -6.672 -0.255 1.00 0.00 C ATOM 470 CE LYS A 31 11.198 -6.252 -0.146 1.00 0.00 C ATOM 471 NZ LYS A 31 11.926 -6.432 -1.432 1.00 0.00 N ATOM 0 H LYS A 31 6.395 -7.416 -2.738 1.00 0.00 H new ATOM 0 HA LYS A 31 6.962 -4.755 -2.306 1.00 0.00 H new ATOM 0 HB2 LYS A 31 8.341 -7.279 -2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.359 -6.084 -3.099 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.507 -4.747 -1.177 1.00 0.00 H new ATOM 0 HG3 LYS A 31 8.032 -5.391 -0.484 1.00 0.00 H new ATOM 0 HD2 LYS A 31 9.316 -6.781 0.743 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.676 -7.648 -0.737 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.253 -5.207 0.159 1.00 0.00 H new ATOM 0 HE3 LYS A 31 11.687 -6.837 0.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 12.916 -6.134 -1.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.896 -7.434 -1.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.475 -5.854 -2.170 1.00 0.00 H new ATOM 485 N ASP A 32 7.540 -5.701 -5.393 1.00 0.00 N ATOM 486 CA ASP A 32 7.749 -5.200 -6.741 1.00 0.00 C ATOM 487 C ASP A 32 6.623 -4.240 -7.093 1.00 0.00 C ATOM 488 O ASP A 32 6.848 -3.182 -7.684 1.00 0.00 O ATOM 489 CB ASP A 32 7.793 -6.354 -7.745 1.00 0.00 C ATOM 490 CG ASP A 32 9.026 -6.309 -8.625 1.00 0.00 C ATOM 491 OD1 ASP A 32 9.189 -5.319 -9.370 1.00 0.00 O ATOM 492 OD2 ASP A 32 9.830 -7.263 -8.570 1.00 0.00 O ATOM 0 H ASP A 32 7.337 -6.699 -5.339 1.00 0.00 H new ATOM 0 HA ASP A 32 8.705 -4.678 -6.786 1.00 0.00 H new ATOM 0 HB2 ASP A 32 7.769 -7.301 -7.206 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.902 -6.321 -8.372 1.00 0.00 H new ATOM 497 N VAL A 33 5.412 -4.601 -6.681 1.00 0.00 N ATOM 498 CA VAL A 33 4.253 -3.753 -6.893 1.00 0.00 C ATOM 499 C VAL A 33 4.448 -2.425 -6.181 1.00 0.00 C ATOM 500 O VAL A 33 4.185 -1.365 -6.742 1.00 0.00 O ATOM 501 CB VAL A 33 2.957 -4.408 -6.380 1.00 0.00 C ATOM 502 CG1 VAL A 33 1.759 -3.520 -6.684 1.00 0.00 C ATOM 503 CG2 VAL A 33 2.777 -5.791 -6.986 1.00 0.00 C ATOM 0 H VAL A 33 5.212 -5.477 -6.198 1.00 0.00 H new ATOM 0 HA VAL A 33 4.156 -3.599 -7.968 1.00 0.00 H new ATOM 0 HB VAL A 33 3.031 -4.523 -5.299 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.850 -3.996 -6.316 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.888 -2.555 -6.194 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.680 -3.372 -7.761 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.856 -6.236 -6.610 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.724 -5.708 -8.072 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.623 -6.422 -6.711 1.00 0.00 H new ATOM 513 N LEU A 34 4.945 -2.490 -4.945 1.00 0.00 N ATOM 514 CA LEU A 34 5.207 -1.288 -4.160 1.00 0.00 C ATOM 515 C LEU A 34 5.993 -0.283 -4.986 1.00 0.00 C ATOM 516 O LEU A 34 5.750 0.922 -4.919 1.00 0.00 O ATOM 517 CB LEU A 34 5.981 -1.633 -2.888 1.00 0.00 C ATOM 518 CG LEU A 34 5.126 -2.120 -1.714 1.00 0.00 C ATOM 519 CD1 LEU A 34 4.422 -0.946 -1.051 1.00 0.00 C ATOM 520 CD2 LEU A 34 4.114 -3.156 -2.174 1.00 0.00 C ATOM 0 H LEU A 34 5.173 -3.362 -4.468 1.00 0.00 H new ATOM 0 HA LEU A 34 4.251 -0.848 -3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.714 -2.403 -3.126 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.537 -0.751 -2.570 1.00 0.00 H new ATOM 0 HG LEU A 34 5.784 -2.591 -0.984 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.818 -1.307 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.164 -0.239 -0.681 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.779 -0.450 -1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.519 -3.486 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.459 -2.716 -2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.637 -4.010 -2.604 1.00 0.00 H new ATOM 532 N ASP A 35 6.919 -0.794 -5.789 1.00 0.00 N ATOM 533 CA ASP A 35 7.707 0.054 -6.663 1.00 0.00 C ATOM 534 C ASP A 35 6.796 0.744 -7.674 1.00 0.00 C ATOM 535 O ASP A 35 6.978 1.917 -7.995 1.00 0.00 O ATOM 536 CB ASP A 35 8.775 -0.766 -7.388 1.00 0.00 C ATOM 537 CG ASP A 35 9.998 0.058 -7.740 1.00 0.00 C ATOM 538 OD1 ASP A 35 10.617 0.625 -6.816 1.00 0.00 O ATOM 539 OD2 ASP A 35 10.334 0.137 -8.939 1.00 0.00 O ATOM 0 H ASP A 35 7.139 -1.788 -5.850 1.00 0.00 H new ATOM 0 HA ASP A 35 8.207 0.811 -6.059 1.00 0.00 H new ATOM 0 HB2 ASP A 35 9.074 -1.604 -6.759 1.00 0.00 H new ATOM 0 HB3 ASP A 35 8.350 -1.187 -8.299 1.00 0.00 H new ATOM 544 N ASP A 36 5.794 0.004 -8.147 1.00 0.00 N ATOM 545 CA ASP A 36 4.825 0.539 -9.098 1.00 0.00 C ATOM 546 C ASP A 36 3.799 1.413 -8.384 1.00 0.00 C ATOM 547 O ASP A 36 3.461 2.501 -8.849 1.00 0.00 O ATOM 548 CB ASP A 36 4.118 -0.603 -9.830 1.00 0.00 C ATOM 549 CG ASP A 36 4.494 -0.671 -11.298 1.00 0.00 C ATOM 550 OD1 ASP A 36 3.834 0.008 -12.112 1.00 0.00 O ATOM 551 OD2 ASP A 36 5.449 -1.403 -11.631 1.00 0.00 O ATOM 0 H ASP A 36 5.633 -0.969 -7.886 1.00 0.00 H new ATOM 0 HA ASP A 36 5.359 1.151 -9.825 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.369 -1.549 -9.350 1.00 0.00 H new ATOM 0 HB3 ASP A 36 3.039 -0.476 -9.740 1.00 0.00 H new ATOM 556 N LEU A 37 3.313 0.928 -7.242 1.00 0.00 N ATOM 557 CA LEU A 37 2.336 1.659 -6.440 1.00 0.00 C ATOM 558 C LEU A 37 2.744 3.121 -6.287 1.00 0.00 C ATOM 559 O LEU A 37 1.920 4.027 -6.416 1.00 0.00 O ATOM 560 CB LEU A 37 2.207 1.012 -5.059 1.00 0.00 C ATOM 561 CG LEU A 37 1.281 -0.206 -4.988 1.00 0.00 C ATOM 562 CD1 LEU A 37 1.895 -1.295 -4.123 1.00 0.00 C ATOM 563 CD2 LEU A 37 -0.084 0.188 -4.445 1.00 0.00 C ATOM 0 H LEU A 37 3.583 0.026 -6.850 1.00 0.00 H new ATOM 0 HA LEU A 37 1.374 1.620 -6.952 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.200 0.713 -4.723 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.846 1.763 -4.357 1.00 0.00 H new ATOM 0 HG LEU A 37 1.154 -0.594 -5.999 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.222 -2.152 -4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.850 -1.602 -4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.053 -0.913 -3.115 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.726 -0.692 -4.403 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.029 0.603 -3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.534 0.935 -5.099 1.00 0.00 H new ATOM 575 N GLY A 38 4.025 3.338 -6.021 1.00 0.00 N ATOM 576 CA GLY A 38 4.538 4.686 -5.868 1.00 0.00 C ATOM 577 C GLY A 38 4.258 5.267 -4.497 1.00 0.00 C ATOM 578 O GLY A 38 3.662 6.337 -4.379 1.00 0.00 O ATOM 0 H GLY A 38 4.721 2.601 -5.908 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.614 4.683 -6.044 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.093 5.328 -6.628 1.00 0.00 H new ATOM 582 N LEU A 39 4.702 4.567 -3.459 1.00 0.00 N ATOM 583 CA LEU A 39 4.500 5.022 -2.090 1.00 0.00 C ATOM 584 C LEU A 39 5.826 5.428 -1.452 1.00 0.00 C ATOM 585 O LEU A 39 6.548 4.592 -0.910 1.00 0.00 O ATOM 586 CB LEU A 39 3.835 3.921 -1.262 1.00 0.00 C ATOM 587 CG LEU A 39 2.896 3.008 -2.047 1.00 0.00 C ATOM 588 CD1 LEU A 39 3.661 1.844 -2.654 1.00 0.00 C ATOM 589 CD2 LEU A 39 1.776 2.500 -1.159 1.00 0.00 C ATOM 0 H LEU A 39 5.204 3.683 -3.540 1.00 0.00 H new ATOM 0 HA LEU A 39 3.848 5.895 -2.112 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.613 3.311 -0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.274 4.385 -0.451 1.00 0.00 H new ATOM 0 HG LEU A 39 2.456 3.590 -2.857 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.973 1.206 -3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.427 2.225 -3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.132 1.265 -1.860 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.118 1.851 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.199 1.938 -0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.205 3.345 -0.774 1.00 0.00 H new ATOM 601 N LYS A 40 6.141 6.717 -1.531 1.00 0.00 N ATOM 602 CA LYS A 40 7.382 7.238 -0.971 1.00 0.00 C ATOM 603 C LYS A 40 7.575 6.770 0.467 1.00 0.00 C ATOM 604 O LYS A 40 6.614 6.650 1.227 1.00 0.00 O ATOM 605 CB LYS A 40 7.386 8.768 -1.025 1.00 0.00 C ATOM 606 CG LYS A 40 7.755 9.327 -2.389 1.00 0.00 C ATOM 607 CD LYS A 40 9.115 8.828 -2.847 1.00 0.00 C ATOM 608 CE LYS A 40 9.968 9.959 -3.399 1.00 0.00 C ATOM 609 NZ LYS A 40 11.346 9.941 -2.836 1.00 0.00 N ATOM 0 H LYS A 40 5.553 7.420 -1.978 1.00 0.00 H new ATOM 0 HA LYS A 40 8.208 6.855 -1.570 1.00 0.00 H new ATOM 0 HB2 LYS A 40 6.399 9.136 -0.746 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.089 9.148 -0.284 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.997 9.040 -3.118 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.761 10.416 -2.347 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.631 8.357 -2.011 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.984 8.063 -3.612 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.018 9.879 -4.485 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.495 10.914 -3.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.895 10.728 -3.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.300 10.043 -1.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.807 9.040 -3.075 1.00 0.00 H new ATOM 623 N ARG A 41 8.825 6.510 0.833 1.00 0.00 N ATOM 624 CA ARG A 41 9.148 6.057 2.181 1.00 0.00 C ATOM 625 C ARG A 41 8.513 4.701 2.466 1.00 0.00 C ATOM 626 O ARG A 41 7.329 4.489 2.198 1.00 0.00 O ATOM 627 CB ARG A 41 8.674 7.081 3.212 1.00 0.00 C ATOM 628 CG ARG A 41 9.197 8.486 2.958 1.00 0.00 C ATOM 629 CD ARG A 41 9.279 9.292 4.243 1.00 0.00 C ATOM 630 NE ARG A 41 9.939 10.578 4.041 1.00 0.00 N ATOM 631 CZ ARG A 41 11.258 10.725 3.960 1.00 0.00 C ATOM 632 NH1 ARG A 41 12.051 9.668 4.064 1.00 0.00 N ATOM 633 NH2 ARG A 41 11.783 11.928 3.774 1.00 0.00 N ATOM 0 H ARG A 41 9.631 6.605 0.215 1.00 0.00 H new ATOM 0 HA ARG A 41 10.231 5.953 2.253 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.584 7.103 3.216 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.990 6.758 4.204 1.00 0.00 H new ATOM 0 HG2 ARG A 41 10.184 8.430 2.499 1.00 0.00 H new ATOM 0 HG3 ARG A 41 8.544 8.995 2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.274 9.457 4.632 1.00 0.00 H new ATOM 0 HD3 ARG A 41 9.822 8.720 4.996 1.00 0.00 H new ATOM 0 HE ARG A 41 9.356 11.411 3.957 1.00 0.00 H new ATOM 0 HH11 ARG A 41 11.649 8.741 4.206 1.00 0.00 H new ATOM 0 HH12 ARG A 41 13.063 9.781 4.002 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.175 12.743 3.693 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.795 12.039 3.712 1.00 0.00 H new ATOM 647 N TYR A 42 9.306 3.786 3.011 1.00 0.00 N ATOM 648 CA TYR A 42 8.821 2.450 3.334 1.00 0.00 C ATOM 649 C TYR A 42 7.911 2.467 4.559 1.00 0.00 C ATOM 650 O TYR A 42 7.191 1.503 4.815 1.00 0.00 O ATOM 651 CB TYR A 42 9.999 1.503 3.572 1.00 0.00 C ATOM 652 CG TYR A 42 10.756 1.782 4.851 1.00 0.00 C ATOM 653 CD1 TYR A 42 10.300 1.296 6.070 1.00 0.00 C ATOM 654 CD2 TYR A 42 11.928 2.528 4.838 1.00 0.00 C ATOM 655 CE1 TYR A 42 10.990 1.547 7.240 1.00 0.00 C ATOM 656 CE2 TYR A 42 12.624 2.784 6.005 1.00 0.00 C ATOM 657 CZ TYR A 42 12.151 2.290 7.203 1.00 0.00 C ATOM 658 OH TYR A 42 12.839 2.543 8.367 1.00 0.00 O ATOM 0 H TYR A 42 10.288 3.945 3.238 1.00 0.00 H new ATOM 0 HA TYR A 42 8.237 2.094 2.485 1.00 0.00 H new ATOM 0 HB2 TYR A 42 9.630 0.478 3.595 1.00 0.00 H new ATOM 0 HB3 TYR A 42 10.687 1.575 2.730 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.392 0.713 6.103 1.00 0.00 H new ATOM 0 HD2 TYR A 42 12.301 2.914 3.901 1.00 0.00 H new ATOM 0 HE1 TYR A 42 10.622 1.163 8.180 1.00 0.00 H new ATOM 0 HE2 TYR A 42 13.533 3.367 5.979 1.00 0.00 H new ATOM 0 HH TYR A 42 13.635 3.079 8.167 1.00 0.00 H new ATOM 668 N CYS A 43 7.934 3.569 5.310 1.00 0.00 N ATOM 669 CA CYS A 43 7.095 3.697 6.499 1.00 0.00 C ATOM 670 C CYS A 43 5.658 3.286 6.193 1.00 0.00 C ATOM 671 O CYS A 43 4.942 2.793 7.064 1.00 0.00 O ATOM 672 CB CYS A 43 7.129 5.136 7.018 1.00 0.00 C ATOM 673 SG CYS A 43 6.707 6.380 5.776 1.00 0.00 S ATOM 0 H CYS A 43 8.521 4.380 5.117 1.00 0.00 H new ATOM 0 HA CYS A 43 7.488 3.032 7.268 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.437 5.225 7.855 1.00 0.00 H new ATOM 0 HB3 CYS A 43 8.126 5.348 7.404 1.00 0.00 H new ATOM 678 N CYS A 44 5.252 3.479 4.942 1.00 0.00 N ATOM 679 CA CYS A 44 3.912 3.103 4.508 1.00 0.00 C ATOM 680 C CYS A 44 3.891 1.647 4.063 1.00 0.00 C ATOM 681 O CYS A 44 3.156 0.830 4.613 1.00 0.00 O ATOM 682 CB CYS A 44 3.437 4.009 3.363 1.00 0.00 C ATOM 683 SG CYS A 44 4.066 5.704 3.435 1.00 0.00 S ATOM 0 H CYS A 44 5.831 3.893 4.212 1.00 0.00 H new ATOM 0 HA CYS A 44 3.233 3.226 5.352 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.739 3.563 2.415 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.347 4.039 3.369 1.00 0.00 H new ATOM 688 N ARG A 45 4.728 1.322 3.080 1.00 0.00 N ATOM 689 CA ARG A 45 4.808 -0.041 2.559 1.00 0.00 C ATOM 690 C ARG A 45 4.889 -1.059 3.691 1.00 0.00 C ATOM 691 O ARG A 45 4.058 -1.958 3.783 1.00 0.00 O ATOM 692 CB ARG A 45 6.021 -0.200 1.638 1.00 0.00 C ATOM 693 CG ARG A 45 6.244 0.984 0.710 1.00 0.00 C ATOM 694 CD ARG A 45 7.245 0.657 -0.385 1.00 0.00 C ATOM 695 NE ARG A 45 8.464 1.450 -0.264 1.00 0.00 N ATOM 696 CZ ARG A 45 9.499 1.342 -1.092 1.00 0.00 C ATOM 697 NH1 ARG A 45 9.462 0.475 -2.094 1.00 0.00 N ATOM 698 NH2 ARG A 45 10.572 2.100 -0.916 1.00 0.00 N ATOM 0 H ARG A 45 5.360 1.983 2.629 1.00 0.00 H new ATOM 0 HA ARG A 45 3.899 -0.226 1.987 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.913 -0.345 2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.895 -1.101 1.038 1.00 0.00 H new ATOM 0 HG2 ARG A 45 5.296 1.278 0.260 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.601 1.837 1.287 1.00 0.00 H new ATOM 0 HD2 ARG A 45 7.496 -0.403 -0.342 1.00 0.00 H new ATOM 0 HD3 ARG A 45 6.790 0.838 -1.359 1.00 0.00 H new ATOM 0 HE ARG A 45 8.526 2.125 0.498 1.00 0.00 H new ATOM 0 HH11 ARG A 45 8.638 -0.111 -2.231 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.257 0.394 -2.728 1.00 0.00 H new ATOM 0 HH21 ARG A 45 10.604 2.767 -0.145 1.00 0.00 H new ATOM 0 HH22 ARG A 45 11.365 2.016 -1.552 1.00 0.00 H new ATOM 712 N ARG A 46 5.885 -0.900 4.565 1.00 0.00 N ATOM 713 CA ARG A 46 6.074 -1.812 5.694 1.00 0.00 C ATOM 714 C ARG A 46 4.742 -2.158 6.357 1.00 0.00 C ATOM 715 O ARG A 46 4.544 -3.276 6.829 1.00 0.00 O ATOM 716 CB ARG A 46 7.021 -1.190 6.721 1.00 0.00 C ATOM 717 CG ARG A 46 6.566 0.169 7.228 1.00 0.00 C ATOM 718 CD ARG A 46 6.277 0.140 8.720 1.00 0.00 C ATOM 719 NE ARG A 46 7.211 0.971 9.475 1.00 0.00 N ATOM 720 CZ ARG A 46 8.421 0.568 9.852 1.00 0.00 C ATOM 721 NH1 ARG A 46 8.845 -0.650 9.544 1.00 0.00 N ATOM 722 NH2 ARG A 46 9.209 1.385 10.537 1.00 0.00 N ATOM 0 H ARG A 46 6.573 -0.148 4.512 1.00 0.00 H new ATOM 0 HA ARG A 46 6.512 -2.734 5.311 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.121 -1.869 7.568 1.00 0.00 H new ATOM 0 HB3 ARG A 46 8.010 -1.089 6.275 1.00 0.00 H new ATOM 0 HG2 ARG A 46 7.336 0.912 7.020 1.00 0.00 H new ATOM 0 HG3 ARG A 46 5.670 0.478 6.689 1.00 0.00 H new ATOM 0 HD2 ARG A 46 5.259 0.485 8.899 1.00 0.00 H new ATOM 0 HD3 ARG A 46 6.333 -0.887 9.080 1.00 0.00 H new ATOM 0 HE ARG A 46 6.918 1.915 9.728 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.242 -1.281 9.016 1.00 0.00 H new ATOM 0 HH12 ARG A 46 9.774 -0.955 9.835 1.00 0.00 H new ATOM 0 HH21 ARG A 46 8.887 2.323 10.775 1.00 0.00 H new ATOM 0 HH22 ARG A 46 10.137 1.075 10.826 1.00 0.00 H new ATOM 736 N MET A 47 3.832 -1.192 6.371 1.00 0.00 N ATOM 737 CA MET A 47 2.506 -1.400 6.936 1.00 0.00 C ATOM 738 C MET A 47 1.565 -1.968 5.882 1.00 0.00 C ATOM 739 O MET A 47 0.702 -2.796 6.178 1.00 0.00 O ATOM 740 CB MET A 47 1.944 -0.082 7.469 1.00 0.00 C ATOM 741 CG MET A 47 2.879 0.642 8.424 1.00 0.00 C ATOM 742 SD MET A 47 2.058 1.971 9.325 1.00 0.00 S ATOM 743 CE MET A 47 1.406 2.949 7.973 1.00 0.00 C ATOM 0 H MET A 47 3.989 -0.256 5.997 1.00 0.00 H new ATOM 0 HA MET A 47 2.590 -2.110 7.758 1.00 0.00 H new ATOM 0 HB2 MET A 47 1.720 0.574 6.627 1.00 0.00 H new ATOM 0 HB3 MET A 47 1.001 -0.280 7.979 1.00 0.00 H new ATOM 0 HG2 MET A 47 3.291 -0.074 9.135 1.00 0.00 H new ATOM 0 HG3 MET A 47 3.718 1.053 7.863 1.00 0.00 H new ATOM 0 HE1 MET A 47 1.679 3.995 8.116 1.00 0.00 H new ATOM 0 HE2 MET A 47 1.822 2.591 7.031 1.00 0.00 H new ATOM 0 HE3 MET A 47 0.320 2.857 7.948 1.00 0.00 H new ATOM 753 N LEU A 48 1.743 -1.509 4.647 1.00 0.00 N ATOM 754 CA LEU A 48 0.907 -1.941 3.534 1.00 0.00 C ATOM 755 C LEU A 48 1.212 -3.373 3.118 1.00 0.00 C ATOM 756 O LEU A 48 0.384 -4.266 3.296 1.00 0.00 O ATOM 757 CB LEU A 48 1.103 -1.013 2.335 1.00 0.00 C ATOM 758 CG LEU A 48 0.886 0.465 2.636 1.00 0.00 C ATOM 759 CD1 LEU A 48 1.691 1.332 1.684 1.00 0.00 C ATOM 760 CD2 LEU A 48 -0.590 0.811 2.556 1.00 0.00 C ATOM 0 H LEU A 48 2.464 -0.834 4.392 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.129 -1.898 3.871 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.114 -1.147 1.949 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.417 -1.314 1.543 1.00 0.00 H new ATOM 0 HG LEU A 48 1.233 0.663 3.650 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.521 2.383 1.917 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.751 1.103 1.792 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.379 1.133 0.659 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.728 1.870 2.774 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.960 0.595 1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.143 0.216 3.283 1.00 0.00 H new ATOM 772 N ILE A 49 2.389 -3.582 2.528 1.00 0.00 N ATOM 773 CA ILE A 49 2.780 -4.911 2.042 1.00 0.00 C ATOM 774 C ILE A 49 2.385 -6.007 3.030 1.00 0.00 C ATOM 775 O ILE A 49 2.084 -7.134 2.637 1.00 0.00 O ATOM 776 CB ILE A 49 4.294 -5.008 1.759 1.00 0.00 C ATOM 777 CG1 ILE A 49 5.091 -4.193 2.776 1.00 0.00 C ATOM 778 CG2 ILE A 49 4.602 -4.538 0.348 1.00 0.00 C ATOM 779 CD1 ILE A 49 6.417 -4.821 3.148 1.00 0.00 C ATOM 0 H ILE A 49 3.087 -2.854 2.374 1.00 0.00 H new ATOM 0 HA ILE A 49 2.242 -5.058 1.105 1.00 0.00 H new ATOM 0 HB ILE A 49 4.590 -6.053 1.851 1.00 0.00 H new ATOM 0 HG12 ILE A 49 5.271 -3.197 2.371 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.492 -4.067 3.678 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.674 -4.613 0.165 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.067 -5.162 -0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.286 -3.501 0.233 1.00 0.00 H new ATOM 0 HD11 ILE A 49 6.928 -4.188 3.874 1.00 0.00 H new ATOM 0 HD12 ILE A 49 6.244 -5.805 3.583 1.00 0.00 H new ATOM 0 HD13 ILE A 49 7.035 -4.922 2.256 1.00 0.00 H new ATOM 791 N SER A 50 2.376 -5.660 4.312 1.00 0.00 N ATOM 792 CA SER A 50 1.989 -6.600 5.355 1.00 0.00 C ATOM 793 C SER A 50 0.481 -6.567 5.590 1.00 0.00 C ATOM 794 O SER A 50 -0.213 -7.561 5.380 1.00 0.00 O ATOM 795 CB SER A 50 2.727 -6.280 6.656 1.00 0.00 C ATOM 796 OG SER A 50 4.128 -6.229 6.449 1.00 0.00 O ATOM 0 H SER A 50 2.633 -4.734 4.653 1.00 0.00 H new ATOM 0 HA SER A 50 2.263 -7.602 5.025 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.379 -5.325 7.049 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.494 -7.037 7.405 1.00 0.00 H new ATOM 0 HG SER A 50 4.441 -5.306 6.554 1.00 0.00 H new ATOM 802 N HIS A 51 -0.014 -5.420 6.048 1.00 0.00 N ATOM 803 CA HIS A 51 -1.434 -5.260 6.347 1.00 0.00 C ATOM 804 C HIS A 51 -2.233 -4.821 5.119 1.00 0.00 C ATOM 805 O HIS A 51 -3.002 -5.604 4.561 1.00 0.00 O ATOM 806 CB HIS A 51 -1.618 -4.246 7.481 1.00 0.00 C ATOM 807 CG HIS A 51 -3.035 -4.111 7.944 1.00 0.00 C ATOM 808 ND1 HIS A 51 -3.426 -3.078 8.763 1.00 0.00 N ATOM 809 CD2 HIS A 51 -4.106 -4.898 7.681 1.00 0.00 C ATOM 810 CE1 HIS A 51 -4.717 -3.256 8.979 1.00 0.00 C ATOM 811 NE2 HIS A 51 -5.171 -4.346 8.344 1.00 0.00 N ATOM 0 H HIS A 51 0.548 -4.587 6.220 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.817 -6.232 6.657 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -0.996 -4.542 8.326 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -1.260 -3.272 7.147 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -2.839 -2.328 9.129 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -4.118 -5.787 7.068 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.328 -2.607 9.589 1.00 0.00 H new ATOM 819 N VAL A 52 -2.079 -3.547 4.740 1.00 0.00 N ATOM 820 CA VAL A 52 -2.805 -2.957 3.605 1.00 0.00 C ATOM 821 C VAL A 52 -4.219 -3.517 3.467 1.00 0.00 C ATOM 822 O VAL A 52 -4.596 -4.028 2.413 1.00 0.00 O ATOM 823 CB VAL A 52 -2.049 -3.137 2.273 1.00 0.00 C ATOM 824 CG1 VAL A 52 -1.996 -4.600 1.861 1.00 0.00 C ATOM 825 CG2 VAL A 52 -2.687 -2.286 1.187 1.00 0.00 C ATOM 0 H VAL A 52 -1.450 -2.896 5.209 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.875 -1.892 3.825 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.022 -2.802 2.416 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.457 -4.693 0.918 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.483 -5.176 2.631 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.010 -4.980 1.738 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.144 -2.422 0.252 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.725 -2.588 1.051 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.650 -1.236 1.478 1.00 0.00 H new ATOM 835 N GLU A 53 -5.002 -3.402 4.535 1.00 0.00 N ATOM 836 CA GLU A 53 -6.377 -3.889 4.531 1.00 0.00 C ATOM 837 C GLU A 53 -7.140 -3.356 3.323 1.00 0.00 C ATOM 838 O GLU A 53 -7.742 -2.283 3.380 1.00 0.00 O ATOM 839 CB GLU A 53 -7.089 -3.477 5.821 1.00 0.00 C ATOM 840 CG GLU A 53 -7.957 -4.573 6.414 1.00 0.00 C ATOM 841 CD GLU A 53 -9.011 -4.035 7.361 1.00 0.00 C ATOM 842 OE1 GLU A 53 -9.084 -2.799 7.526 1.00 0.00 O ATOM 843 OE2 GLU A 53 -9.762 -4.849 7.938 1.00 0.00 O ATOM 0 H GLU A 53 -4.708 -2.976 5.414 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.351 -4.977 4.470 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -6.344 -3.177 6.558 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -7.709 -2.603 5.621 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -8.444 -5.121 5.608 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.325 -5.284 6.946 1.00 0.00 H new ATOM 850 N THR A 54 -7.111 -4.113 2.231 1.00 0.00 N ATOM 851 CA THR A 54 -7.796 -3.715 1.006 1.00 0.00 C ATOM 852 C THR A 54 -9.299 -3.945 1.119 1.00 0.00 C ATOM 853 O THR A 54 -10.094 -3.232 0.506 1.00 0.00 O ATOM 854 CB THR A 54 -7.258 -4.486 -0.215 1.00 0.00 C ATOM 855 OG1 THR A 54 -7.071 -5.867 0.122 1.00 0.00 O ATOM 856 CG2 THR A 54 -5.943 -3.893 -0.694 1.00 0.00 C ATOM 0 H THR A 54 -6.621 -5.005 2.169 1.00 0.00 H new ATOM 0 HA THR A 54 -7.604 -2.651 0.866 1.00 0.00 H new ATOM 0 HB THR A 54 -7.988 -4.404 -1.020 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.731 -6.351 -0.659 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.583 -4.454 -1.556 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.095 -2.851 -0.977 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.206 -3.948 0.107 1.00 0.00 H new ATOM 864 N TRP A 55 -9.682 -4.944 1.908 1.00 0.00 N ATOM 865 CA TRP A 55 -11.091 -5.267 2.101 1.00 0.00 C ATOM 866 C TRP A 55 -11.882 -4.029 2.506 1.00 0.00 C ATOM 867 O TRP A 55 -11.279 -3.109 3.100 1.00 0.00 O ATOM 868 CB TRP A 55 -11.243 -6.354 3.168 1.00 0.00 C ATOM 869 CG TRP A 55 -11.599 -7.696 2.604 1.00 0.00 C ATOM 870 CD1 TRP A 55 -10.766 -8.557 1.948 1.00 0.00 C ATOM 871 CD2 TRP A 55 -12.882 -8.331 2.646 1.00 0.00 C ATOM 872 NE1 TRP A 55 -11.452 -9.688 1.580 1.00 0.00 N ATOM 873 CE2 TRP A 55 -12.752 -9.574 1.996 1.00 0.00 C ATOM 874 CE3 TRP A 55 -14.126 -7.971 3.169 1.00 0.00 C ATOM 875 CZ2 TRP A 55 -13.822 -10.456 1.858 1.00 0.00 C ATOM 876 CZ3 TRP A 55 -15.186 -8.847 3.031 1.00 0.00 C ATOM 877 CH2 TRP A 55 -15.029 -10.078 2.380 1.00 0.00 C ATOM 878 OXT TRP A 55 -13.098 -3.988 2.227 1.00 0.00 O ATOM 0 H TRP A 55 -9.037 -5.543 2.423 1.00 0.00 H new ATOM 0 HA TRP A 55 -11.487 -5.636 1.155 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -10.310 -6.438 3.726 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -12.012 -6.051 3.878 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -9.720 -8.375 1.748 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -11.058 -10.484 1.078 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -14.257 -7.025 3.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -13.703 -11.405 1.356 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -16.152 -8.578 3.432 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -15.877 -10.741 2.289 1.00 0.00 H new TER 889 TRP A 55 HETATM 890 ZN ZN A 56 4.866 7.385 4.786 1.00 0.00 ZN