USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 470 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 CE :methyl 134:sc= -8.08! (180deg=-11.7!) USER MOD Set 1.2: A 27 ASN : amide:sc= -1.46 K(o=-9.5,f=-15!) USER MOD Single : A 1 MET N :NH3+ -109:sc= -4.72! (180deg=-8.02!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -147:sc= 0 (180deg=-0.131) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0318) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -0.961 K(o=-0.96,f=-1.8!) USER MOD Single : A 25 TYR OH : rot 47:sc= -2.27! USER MOD Single : A 28 ASN : amide:sc= -0.146 K(o=-0.15,f=-0.91) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= -2.56! USER MOD Single : A 43 ASN : amide:sc= -4.88! C(o=-4.9!,f=-5.4!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.391 K(o=-0.39,f=-3.9!) USER MOD Single : A 51 LYS NZ :NH3+ -175:sc= -0.482 (180deg=-0.552) USER MOD Single : A 52 GLN : amide:sc= -0.259 K(o=-0.26,f=-3.2!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.330 7.730 -3.358 1.00 0.00 N ATOM 2 CA MET A 1 -8.129 7.225 -2.646 1.00 0.00 C ATOM 3 C MET A 1 -7.275 6.377 -3.590 1.00 0.00 C ATOM 4 O MET A 1 -7.522 5.200 -3.762 1.00 0.00 O ATOM 5 CB MET A 1 -8.673 6.359 -1.505 1.00 0.00 C ATOM 6 CG MET A 1 -7.584 6.212 -0.451 1.00 0.00 C ATOM 7 SD MET A 1 -8.308 6.354 1.198 1.00 0.00 S ATOM 8 CE MET A 1 -6.872 5.741 2.114 1.00 0.00 C ATOM 0 H1 MET A 1 -9.236 8.754 -3.514 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.419 7.247 -4.275 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.177 7.543 -2.785 1.00 0.00 H new ATOM 0 HA MET A 1 -7.499 8.036 -2.280 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.561 6.818 -1.071 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.971 5.380 -1.881 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.088 5.247 -0.559 1.00 0.00 H new ATOM 0 HG3 MET A 1 -6.823 6.979 -0.592 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.679 6.393 2.966 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.071 4.730 2.468 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.000 5.731 1.460 1.00 0.00 H new ATOM 20 N LYS A 2 -6.261 6.943 -4.196 1.00 0.00 N ATOM 21 CA LYS A 2 -5.422 6.109 -5.098 1.00 0.00 C ATOM 22 C LYS A 2 -4.951 4.904 -4.295 1.00 0.00 C ATOM 23 O LYS A 2 -4.855 4.978 -3.086 1.00 0.00 O ATOM 24 CB LYS A 2 -4.253 6.985 -5.534 1.00 0.00 C ATOM 25 CG LYS A 2 -4.664 7.823 -6.747 1.00 0.00 C ATOM 26 CD LYS A 2 -4.007 9.206 -6.668 1.00 0.00 C ATOM 27 CE LYS A 2 -4.856 10.221 -7.439 1.00 0.00 C ATOM 28 NZ LYS A 2 -5.835 10.744 -6.443 1.00 0.00 N ATOM 0 H LYS A 2 -5.986 7.921 -4.107 1.00 0.00 H new ATOM 0 HA LYS A 2 -5.954 5.751 -5.979 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.949 7.637 -4.715 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -3.393 6.364 -5.783 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.365 7.320 -7.667 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.749 7.927 -6.779 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -3.909 9.514 -5.627 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.001 9.166 -7.085 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.240 11.023 -7.845 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -5.363 9.751 -8.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -6.452 11.446 -6.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -6.413 9.959 -6.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -5.324 11.192 -5.656 1.00 0.00 H new ATOM 42 N VAL A 3 -4.740 3.768 -4.901 1.00 0.00 N ATOM 43 CA VAL A 3 -4.394 2.608 -4.074 1.00 0.00 C ATOM 44 C VAL A 3 -3.214 1.785 -4.571 1.00 0.00 C ATOM 45 O VAL A 3 -3.111 1.430 -5.727 1.00 0.00 O ATOM 46 CB VAL A 3 -5.693 1.848 -4.150 1.00 0.00 C ATOM 47 CG1 VAL A 3 -5.482 0.365 -3.901 1.00 0.00 C ATOM 48 CG2 VAL A 3 -6.609 2.457 -3.119 1.00 0.00 C ATOM 0 H VAL A 3 -4.793 3.606 -5.907 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.051 2.877 -3.075 1.00 0.00 H new ATOM 0 HB VAL A 3 -6.129 1.924 -5.146 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -6.438 -0.154 -3.963 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.802 -0.037 -4.652 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.054 0.220 -2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.568 1.940 -3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -6.160 2.360 -2.131 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.762 3.512 -3.346 1.00 0.00 H new ATOM 58 N ILE A 4 -2.349 1.447 -3.652 1.00 0.00 N ATOM 59 CA ILE A 4 -1.183 0.618 -3.956 1.00 0.00 C ATOM 60 C ILE A 4 -1.506 -0.827 -3.552 1.00 0.00 C ATOM 61 O ILE A 4 -1.289 -1.223 -2.427 1.00 0.00 O ATOM 62 CB ILE A 4 -0.094 1.201 -3.044 1.00 0.00 C ATOM 63 CG1 ILE A 4 0.677 2.292 -3.810 1.00 0.00 C ATOM 64 CG2 ILE A 4 0.834 0.085 -2.560 1.00 0.00 C ATOM 65 CD1 ILE A 4 2.154 1.917 -3.996 1.00 0.00 C ATOM 0 H ILE A 4 -2.420 1.729 -2.674 1.00 0.00 H new ATOM 0 HA ILE A 4 -0.889 0.613 -5.006 1.00 0.00 H new ATOM 0 HB ILE A 4 -0.546 1.656 -2.163 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.215 2.448 -4.785 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.606 3.236 -3.269 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.604 0.507 -1.914 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.256 -0.653 -2.003 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.304 -0.395 -3.418 1.00 0.00 H new ATOM 0 HD11 ILE A 4 2.665 2.711 -4.541 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.622 1.787 -3.020 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.225 0.987 -4.559 1.00 0.00 H new ATOM 77 N PHE A 5 -2.006 -1.636 -4.430 1.00 0.00 N ATOM 78 CA PHE A 5 -2.261 -3.032 -3.989 1.00 0.00 C ATOM 79 C PHE A 5 -0.908 -3.674 -3.754 1.00 0.00 C ATOM 80 O PHE A 5 -0.081 -3.679 -4.626 1.00 0.00 O ATOM 81 CB PHE A 5 -2.938 -3.766 -5.137 1.00 0.00 C ATOM 82 CG PHE A 5 -4.448 -3.668 -5.074 1.00 0.00 C ATOM 83 CD1 PHE A 5 -5.108 -2.468 -5.380 1.00 0.00 C ATOM 84 CD2 PHE A 5 -5.195 -4.808 -4.747 1.00 0.00 C ATOM 85 CE1 PHE A 5 -6.508 -2.416 -5.351 1.00 0.00 C ATOM 86 CE2 PHE A 5 -6.589 -4.754 -4.728 1.00 0.00 C ATOM 87 CZ PHE A 5 -7.245 -3.559 -5.028 1.00 0.00 C ATOM 0 H PHE A 5 -2.243 -1.410 -5.396 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.880 -3.065 -3.093 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.589 -3.354 -6.084 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.644 -4.815 -5.118 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.539 -1.587 -5.637 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.689 -5.732 -4.509 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -7.018 -1.492 -5.578 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -7.160 -5.637 -4.481 1.00 0.00 H new ATOM 0 HZ PHE A 5 -8.324 -3.517 -5.011 1.00 0.00 H new ATOM 97 N LEU A 6 -0.673 -4.234 -2.616 1.00 0.00 N ATOM 98 CA LEU A 6 0.641 -4.884 -2.388 1.00 0.00 C ATOM 99 C LEU A 6 0.610 -6.236 -3.088 1.00 0.00 C ATOM 100 O LEU A 6 1.615 -6.735 -3.556 1.00 0.00 O ATOM 101 CB LEU A 6 0.775 -5.045 -0.867 1.00 0.00 C ATOM 102 CG LEU A 6 -0.396 -5.861 -0.313 1.00 0.00 C ATOM 103 CD1 LEU A 6 0.109 -7.232 0.136 1.00 0.00 C ATOM 104 CD2 LEU A 6 -1.008 -5.132 0.886 1.00 0.00 C ATOM 0 H LEU A 6 -1.326 -4.273 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 6 1.484 -4.313 -2.777 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.717 -5.540 -0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.801 -4.064 -0.392 1.00 0.00 H new ATOM 0 HG LEU A 6 -1.151 -5.983 -1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.723 -7.815 0.531 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.547 -7.755 -0.714 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.864 -7.105 0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.841 -5.714 1.279 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.252 -5.010 1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.367 -4.152 0.572 1.00 0.00 H new ATOM 116 N LYS A 7 -0.561 -6.796 -3.214 1.00 0.00 N ATOM 117 CA LYS A 7 -0.708 -8.090 -3.932 1.00 0.00 C ATOM 118 C LYS A 7 -1.598 -7.888 -5.148 1.00 0.00 C ATOM 119 O LYS A 7 -1.865 -6.774 -5.556 1.00 0.00 O ATOM 120 CB LYS A 7 -1.373 -9.052 -2.947 1.00 0.00 C ATOM 121 CG LYS A 7 -0.296 -9.808 -2.178 1.00 0.00 C ATOM 122 CD LYS A 7 -0.942 -10.632 -1.060 1.00 0.00 C ATOM 123 CE LYS A 7 -0.396 -12.062 -1.096 1.00 0.00 C ATOM 124 NZ LYS A 7 -1.069 -12.709 -2.257 1.00 0.00 N ATOM 0 H LYS A 7 -1.430 -6.408 -2.846 1.00 0.00 H new ATOM 0 HA LYS A 7 0.251 -8.479 -4.273 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.010 -8.500 -2.256 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.014 -9.753 -3.482 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.255 -10.463 -2.853 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.424 -9.106 -1.756 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.734 -10.177 -0.092 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.025 -10.642 -1.181 1.00 0.00 H new ATOM 0 HE2 LYS A 7 0.687 -12.067 -1.216 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -0.616 -12.591 -0.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.218 -13.718 -2.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.987 -12.251 -2.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.472 -12.611 -3.103 1.00 0.00 H new ATOM 138 N ASP A 8 -2.063 -8.949 -5.726 1.00 0.00 N ATOM 139 CA ASP A 8 -2.945 -8.801 -6.915 1.00 0.00 C ATOM 140 C ASP A 8 -4.322 -9.417 -6.638 1.00 0.00 C ATOM 141 O ASP A 8 -4.479 -10.242 -5.759 1.00 0.00 O ATOM 142 CB ASP A 8 -2.226 -9.552 -8.038 1.00 0.00 C ATOM 143 CG ASP A 8 -2.480 -11.056 -7.908 1.00 0.00 C ATOM 144 OD1 ASP A 8 -3.617 -11.463 -8.083 1.00 0.00 O ATOM 145 OD2 ASP A 8 -1.533 -11.774 -7.634 1.00 0.00 O ATOM 0 H ASP A 8 -1.876 -9.908 -5.434 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.119 -7.757 -7.174 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.578 -9.198 -9.007 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.156 -9.350 -7.994 1.00 0.00 H new ATOM 150 N VAL A 9 -5.316 -9.029 -7.389 1.00 0.00 N ATOM 151 CA VAL A 9 -6.679 -9.600 -7.178 1.00 0.00 C ATOM 152 C VAL A 9 -6.929 -10.701 -8.219 1.00 0.00 C ATOM 153 O VAL A 9 -6.000 -11.298 -8.723 1.00 0.00 O ATOM 154 CB VAL A 9 -7.650 -8.423 -7.362 1.00 0.00 C ATOM 155 CG1 VAL A 9 -8.971 -8.731 -6.651 1.00 0.00 C ATOM 156 CG2 VAL A 9 -7.044 -7.150 -6.756 1.00 0.00 C ATOM 0 H VAL A 9 -5.245 -8.342 -8.139 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.803 -10.052 -6.194 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.829 -8.274 -8.427 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -9.658 -7.895 -6.782 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.411 -9.633 -7.076 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.785 -8.884 -5.588 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -7.736 -6.319 -6.889 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -6.862 -7.304 -5.692 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.102 -6.922 -7.256 1.00 0.00 H new ATOM 166 N LYS A 10 -8.161 -10.984 -8.549 1.00 0.00 N ATOM 167 CA LYS A 10 -8.421 -12.053 -9.559 1.00 0.00 C ATOM 168 C LYS A 10 -8.293 -11.497 -10.979 1.00 0.00 C ATOM 169 O LYS A 10 -9.249 -11.457 -11.727 1.00 0.00 O ATOM 170 CB LYS A 10 -9.850 -12.522 -9.297 1.00 0.00 C ATOM 171 CG LYS A 10 -10.820 -11.361 -9.525 1.00 0.00 C ATOM 172 CD LYS A 10 -11.846 -11.330 -8.393 1.00 0.00 C ATOM 173 CE LYS A 10 -12.856 -12.463 -8.589 1.00 0.00 C ATOM 174 NZ LYS A 10 -14.097 -11.997 -7.909 1.00 0.00 N ATOM 0 H LYS A 10 -8.990 -10.528 -8.169 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.704 -12.869 -9.474 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -10.098 -13.352 -9.958 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -9.941 -12.890 -8.275 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -10.274 -10.418 -9.562 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.324 -11.476 -10.485 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.345 -11.437 -7.431 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.360 -10.369 -8.380 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -13.034 -12.654 -9.647 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -12.494 -13.394 -8.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -14.837 -12.722 -8.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.899 -11.830 -6.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.423 -11.113 -8.349 1.00 0.00 H new ATOM 188 N GLY A 11 -7.119 -11.078 -11.357 1.00 0.00 N ATOM 189 CA GLY A 11 -6.928 -10.537 -12.733 1.00 0.00 C ATOM 190 C GLY A 11 -7.326 -9.058 -12.778 1.00 0.00 C ATOM 191 O GLY A 11 -7.687 -8.538 -13.815 1.00 0.00 O ATOM 0 H GLY A 11 -6.282 -11.086 -10.774 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.887 -10.651 -13.035 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.530 -11.105 -13.442 1.00 0.00 H new ATOM 195 N LYS A 12 -7.260 -8.374 -11.669 1.00 0.00 N ATOM 196 CA LYS A 12 -7.633 -6.929 -11.668 1.00 0.00 C ATOM 197 C LYS A 12 -6.496 -6.093 -11.071 1.00 0.00 C ATOM 198 O LYS A 12 -5.848 -5.331 -11.761 1.00 0.00 O ATOM 199 CB LYS A 12 -8.890 -6.838 -10.805 1.00 0.00 C ATOM 200 CG LYS A 12 -9.904 -5.913 -11.483 1.00 0.00 C ATOM 201 CD LYS A 12 -9.351 -4.487 -11.526 1.00 0.00 C ATOM 202 CE LYS A 12 -9.490 -3.848 -10.143 1.00 0.00 C ATOM 203 NZ LYS A 12 -9.069 -2.431 -10.324 1.00 0.00 N ATOM 0 H LYS A 12 -6.966 -8.750 -10.767 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.811 -6.546 -12.673 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.321 -7.829 -10.665 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.639 -6.457 -9.815 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.112 -6.264 -12.494 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -10.848 -5.931 -10.939 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.304 -4.500 -11.830 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.891 -3.898 -12.267 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -10.516 -3.911 -9.781 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.862 -4.355 -9.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.138 -1.929 -9.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.086 -2.401 -10.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.688 -1.971 -11.021 1.00 0.00 H new ATOM 217 N GLY A 13 -6.237 -6.234 -9.797 1.00 0.00 N ATOM 218 CA GLY A 13 -5.129 -5.450 -9.173 1.00 0.00 C ATOM 219 C GLY A 13 -3.822 -6.238 -9.317 1.00 0.00 C ATOM 220 O GLY A 13 -3.829 -7.413 -9.629 1.00 0.00 O ATOM 0 H GLY A 13 -6.742 -6.855 -9.164 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -5.038 -4.477 -9.655 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.344 -5.265 -8.120 1.00 0.00 H new ATOM 224 N LYS A 14 -2.702 -5.606 -9.098 1.00 0.00 N ATOM 225 CA LYS A 14 -1.404 -6.326 -9.228 1.00 0.00 C ATOM 226 C LYS A 14 -0.457 -5.924 -8.091 1.00 0.00 C ATOM 227 O LYS A 14 -0.746 -5.046 -7.305 1.00 0.00 O ATOM 228 CB LYS A 14 -0.837 -5.887 -10.582 1.00 0.00 C ATOM 229 CG LYS A 14 -1.672 -6.493 -11.716 1.00 0.00 C ATOM 230 CD LYS A 14 -0.903 -6.378 -13.036 1.00 0.00 C ATOM 231 CE LYS A 14 -1.855 -6.625 -14.211 1.00 0.00 C ATOM 232 NZ LYS A 14 -1.166 -6.038 -15.395 1.00 0.00 N ATOM 0 H LYS A 14 -2.629 -4.623 -8.835 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.526 -7.408 -9.170 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -0.844 -4.799 -10.654 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.201 -6.206 -10.672 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.892 -7.539 -11.501 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.628 -5.976 -11.794 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.454 -5.389 -13.121 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.088 -7.101 -13.057 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.042 -7.690 -14.351 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.822 -6.151 -14.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.757 -6.168 -16.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.008 -5.022 -15.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.252 -6.513 -15.535 1.00 0.00 H new ATOM 246 N LYS A 15 0.670 -6.568 -8.001 1.00 0.00 N ATOM 247 CA LYS A 15 1.648 -6.244 -6.922 1.00 0.00 C ATOM 248 C LYS A 15 1.867 -4.726 -6.803 1.00 0.00 C ATOM 249 O LYS A 15 1.954 -4.031 -7.795 1.00 0.00 O ATOM 250 CB LYS A 15 2.939 -6.935 -7.360 1.00 0.00 C ATOM 251 CG LYS A 15 3.582 -6.140 -8.503 1.00 0.00 C ATOM 252 CD LYS A 15 2.624 -6.071 -9.699 1.00 0.00 C ATOM 253 CE LYS A 15 3.365 -5.504 -10.912 1.00 0.00 C ATOM 254 NZ LYS A 15 2.711 -6.138 -12.091 1.00 0.00 N ATOM 0 H LYS A 15 0.961 -7.313 -8.634 1.00 0.00 H new ATOM 0 HA LYS A 15 1.300 -6.577 -5.944 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.629 -7.006 -6.519 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.727 -7.953 -7.686 1.00 0.00 H new ATOM 0 HG2 LYS A 15 3.826 -5.133 -8.164 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.518 -6.611 -8.803 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.237 -7.064 -9.927 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.767 -5.443 -9.457 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.284 -4.418 -10.952 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.428 -5.743 -10.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.228 -5.879 -12.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.720 -7.172 -11.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.728 -5.806 -12.163 1.00 0.00 H new ATOM 268 N GLY A 16 1.957 -4.227 -5.584 1.00 0.00 N ATOM 269 CA GLY A 16 2.159 -2.750 -5.337 1.00 0.00 C ATOM 270 C GLY A 16 1.629 -1.916 -6.504 1.00 0.00 C ATOM 271 O GLY A 16 2.224 -0.926 -6.883 1.00 0.00 O ATOM 0 H GLY A 16 1.898 -4.790 -4.735 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.650 -2.459 -4.418 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.220 -2.545 -5.192 1.00 0.00 H new ATOM 275 N GLU A 17 0.513 -2.287 -7.072 1.00 0.00 N ATOM 276 CA GLU A 17 -0.025 -1.477 -8.198 1.00 0.00 C ATOM 277 C GLU A 17 -0.659 -0.216 -7.625 1.00 0.00 C ATOM 278 O GLU A 17 -1.478 -0.276 -6.732 1.00 0.00 O ATOM 279 CB GLU A 17 -1.046 -2.377 -8.922 1.00 0.00 C ATOM 280 CG GLU A 17 -2.495 -2.002 -8.567 1.00 0.00 C ATOM 281 CD GLU A 17 -3.438 -2.585 -9.621 1.00 0.00 C ATOM 282 OE1 GLU A 17 -2.997 -3.440 -10.372 1.00 0.00 O ATOM 283 OE2 GLU A 17 -4.582 -2.165 -9.661 1.00 0.00 O ATOM 0 H GLU A 17 -0.040 -3.103 -6.809 1.00 0.00 H new ATOM 0 HA GLU A 17 0.740 -1.157 -8.906 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.903 -2.294 -9.999 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -0.865 -3.418 -8.656 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.751 -2.387 -7.580 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -2.603 -0.918 -8.525 1.00 0.00 H new ATOM 290 N ILE A 18 -0.283 0.920 -8.122 1.00 0.00 N ATOM 291 CA ILE A 18 -0.860 2.180 -7.590 1.00 0.00 C ATOM 292 C ILE A 18 -1.807 2.805 -8.600 1.00 0.00 C ATOM 293 O ILE A 18 -1.438 3.154 -9.704 1.00 0.00 O ATOM 294 CB ILE A 18 0.320 3.115 -7.385 1.00 0.00 C ATOM 295 CG1 ILE A 18 1.462 2.388 -6.677 1.00 0.00 C ATOM 296 CG2 ILE A 18 -0.138 4.299 -6.538 1.00 0.00 C ATOM 297 CD1 ILE A 18 2.534 1.977 -7.689 1.00 0.00 C ATOM 0 H ILE A 18 0.398 1.034 -8.873 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.420 1.996 -6.673 1.00 0.00 H new ATOM 0 HB ILE A 18 0.681 3.461 -8.354 1.00 0.00 H new ATOM 0 HG12 ILE A 18 1.899 3.035 -5.916 1.00 0.00 H new ATOM 0 HG13 ILE A 18 1.079 1.506 -6.164 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.699 4.980 -6.382 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -0.943 4.825 -7.052 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -0.498 3.939 -5.574 1.00 0.00 H new ATOM 0 HD11 ILE A 18 3.343 1.460 -7.173 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.096 1.313 -8.434 1.00 0.00 H new ATOM 0 HD13 ILE A 18 2.928 2.865 -8.182 1.00 0.00 H new ATOM 309 N LYS A 19 -3.011 2.969 -8.202 1.00 0.00 N ATOM 310 CA LYS A 19 -4.030 3.596 -9.069 1.00 0.00 C ATOM 311 C LYS A 19 -5.135 4.045 -8.135 1.00 0.00 C ATOM 312 O LYS A 19 -4.871 4.683 -7.147 1.00 0.00 O ATOM 313 CB LYS A 19 -4.484 2.478 -10.012 1.00 0.00 C ATOM 314 CG LYS A 19 -5.014 3.090 -11.308 1.00 0.00 C ATOM 315 CD LYS A 19 -5.339 1.971 -12.295 1.00 0.00 C ATOM 316 CE LYS A 19 -6.818 2.042 -12.676 1.00 0.00 C ATOM 317 NZ LYS A 19 -7.175 0.653 -13.086 1.00 0.00 N ATOM 0 H LYS A 19 -3.352 2.688 -7.283 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.695 4.452 -9.655 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -3.651 1.808 -10.227 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.260 1.879 -9.536 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -5.906 3.683 -11.106 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.272 3.765 -11.736 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -4.718 2.065 -13.186 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.113 1.002 -11.850 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.427 2.375 -11.836 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -6.983 2.749 -13.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -8.177 0.619 -13.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.584 0.366 -13.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.014 0.004 -12.290 1.00 0.00 H new ATOM 331 N ASN A 20 -6.345 3.671 -8.388 1.00 0.00 N ATOM 332 CA ASN A 20 -7.438 4.012 -7.449 1.00 0.00 C ATOM 333 C ASN A 20 -8.505 2.950 -7.556 1.00 0.00 C ATOM 334 O ASN A 20 -9.103 2.736 -8.591 1.00 0.00 O ATOM 335 CB ASN A 20 -7.987 5.384 -7.837 1.00 0.00 C ATOM 336 CG ASN A 20 -8.728 5.285 -9.173 1.00 0.00 C ATOM 337 OD1 ASN A 20 -9.917 5.043 -9.203 1.00 0.00 O ATOM 338 ND2 ASN A 20 -8.070 5.463 -10.288 1.00 0.00 N ATOM 0 H ASN A 20 -6.630 3.139 -9.211 1.00 0.00 H new ATOM 0 HA ASN A 20 -7.085 4.051 -6.418 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.662 5.749 -7.062 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -7.172 6.104 -7.915 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -8.556 5.399 -11.183 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -7.071 5.666 -10.264 1.00 0.00 H new ATOM 345 N VAL A 21 -8.764 2.310 -6.478 1.00 0.00 N ATOM 346 CA VAL A 21 -9.809 1.280 -6.463 1.00 0.00 C ATOM 347 C VAL A 21 -11.078 2.042 -6.171 1.00 0.00 C ATOM 348 O VAL A 21 -11.220 3.176 -6.586 1.00 0.00 O ATOM 349 CB VAL A 21 -9.404 0.389 -5.284 1.00 0.00 C ATOM 350 CG1 VAL A 21 -9.744 1.072 -3.963 1.00 0.00 C ATOM 351 CG2 VAL A 21 -10.086 -0.963 -5.361 1.00 0.00 C ATOM 0 H VAL A 21 -8.289 2.457 -5.587 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.938 0.686 -7.368 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.327 0.231 -5.337 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -9.451 0.428 -3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -9.208 2.018 -3.894 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -10.817 1.259 -3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.780 -1.574 -4.512 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -11.167 -0.827 -5.339 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.802 -1.462 -6.288 1.00 0.00 H new ATOM 361 N ALA A 22 -11.953 1.520 -5.402 1.00 0.00 N ATOM 362 CA ALA A 22 -13.113 2.368 -5.061 1.00 0.00 C ATOM 363 C ALA A 22 -12.555 3.361 -4.061 1.00 0.00 C ATOM 364 O ALA A 22 -12.108 2.983 -2.998 1.00 0.00 O ATOM 365 CB ALA A 22 -14.166 1.471 -4.441 1.00 0.00 C ATOM 0 H ALA A 22 -11.932 0.582 -5.002 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.575 2.882 -5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -15.040 2.066 -4.176 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.455 0.701 -5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.761 1.001 -3.545 1.00 0.00 H new ATOM 371 N ASP A 23 -12.501 4.606 -4.429 1.00 0.00 N ATOM 372 CA ASP A 23 -11.896 5.640 -3.549 1.00 0.00 C ATOM 373 C ASP A 23 -12.085 5.299 -2.065 1.00 0.00 C ATOM 374 O ASP A 23 -11.246 5.606 -1.242 1.00 0.00 O ATOM 375 CB ASP A 23 -12.657 6.913 -3.912 1.00 0.00 C ATOM 376 CG ASP A 23 -11.696 7.958 -4.469 1.00 0.00 C ATOM 377 OD1 ASP A 23 -11.042 7.664 -5.456 1.00 0.00 O ATOM 378 OD2 ASP A 23 -11.623 9.032 -3.896 1.00 0.00 O ATOM 0 H ASP A 23 -12.857 4.958 -5.318 1.00 0.00 H new ATOM 0 HA ASP A 23 -10.819 5.728 -3.693 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.428 6.687 -4.649 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.164 7.307 -3.031 1.00 0.00 H new ATOM 383 N GLY A 24 -13.167 4.657 -1.713 1.00 0.00 N ATOM 384 CA GLY A 24 -13.375 4.295 -0.282 1.00 0.00 C ATOM 385 C GLY A 24 -12.985 2.826 -0.078 1.00 0.00 C ATOM 386 O GLY A 24 -12.393 2.462 0.918 1.00 0.00 O ATOM 0 H GLY A 24 -13.910 4.370 -2.350 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.773 4.937 0.360 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -14.417 4.451 -0.002 1.00 0.00 H new ATOM 390 N TYR A 25 -13.264 1.994 -1.047 1.00 0.00 N ATOM 391 CA TYR A 25 -12.867 0.550 -0.959 1.00 0.00 C ATOM 392 C TYR A 25 -11.428 0.549 -0.541 1.00 0.00 C ATOM 393 O TYR A 25 -11.043 -0.023 0.461 1.00 0.00 O ATOM 394 CB TYR A 25 -13.001 0.095 -2.410 1.00 0.00 C ATOM 395 CG TYR A 25 -12.315 -1.218 -2.746 1.00 0.00 C ATOM 396 CD1 TYR A 25 -11.572 -1.944 -1.812 1.00 0.00 C ATOM 397 CD2 TYR A 25 -12.445 -1.712 -4.054 1.00 0.00 C ATOM 398 CE1 TYR A 25 -10.983 -3.145 -2.189 1.00 0.00 C ATOM 399 CE2 TYR A 25 -11.848 -2.917 -4.420 1.00 0.00 C ATOM 400 CZ TYR A 25 -11.118 -3.635 -3.488 1.00 0.00 C ATOM 401 OH TYR A 25 -10.537 -4.835 -3.843 1.00 0.00 O ATOM 0 H TYR A 25 -13.754 2.252 -1.904 1.00 0.00 H new ATOM 0 HA TYR A 25 -13.439 -0.074 -0.272 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -14.061 0.003 -2.648 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.595 0.873 -3.056 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.456 -1.574 -0.804 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -13.013 -1.153 -4.783 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -10.412 -3.708 -1.465 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.955 -3.290 -5.428 1.00 0.00 H new ATOM 0 HH TYR A 25 -10.733 -5.509 -3.159 1.00 0.00 H new ATOM 411 N ALA A 26 -10.655 1.235 -1.309 1.00 0.00 N ATOM 412 CA ALA A 26 -9.205 1.376 -1.011 1.00 0.00 C ATOM 413 C ALA A 26 -8.964 1.298 0.501 1.00 0.00 C ATOM 414 O ALA A 26 -8.329 0.384 0.982 1.00 0.00 O ATOM 415 CB ALA A 26 -8.895 2.784 -1.540 1.00 0.00 C ATOM 0 H ALA A 26 -10.965 1.718 -2.152 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.584 0.599 -1.456 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -7.841 3.010 -1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.115 2.828 -2.607 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.509 3.514 -1.013 1.00 0.00 H new ATOM 421 N ASN A 27 -9.476 2.234 1.256 1.00 0.00 N ATOM 422 CA ASN A 27 -9.262 2.195 2.734 1.00 0.00 C ATOM 423 C ASN A 27 -10.358 1.406 3.459 1.00 0.00 C ATOM 424 O ASN A 27 -10.716 1.723 4.574 1.00 0.00 O ATOM 425 CB ASN A 27 -9.301 3.653 3.181 1.00 0.00 C ATOM 426 CG ASN A 27 -8.575 3.809 4.507 1.00 0.00 C ATOM 427 OD1 ASN A 27 -7.368 3.943 4.552 1.00 0.00 O ATOM 428 ND2 ASN A 27 -9.277 3.805 5.600 1.00 0.00 N ATOM 0 H ASN A 27 -10.030 3.020 0.916 1.00 0.00 H new ATOM 0 HA ASN A 27 -8.321 1.698 2.972 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.836 4.286 2.426 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.335 3.984 3.282 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -8.815 3.915 6.503 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -10.290 3.692 5.555 1.00 0.00 H new ATOM 435 N ASN A 28 -10.893 0.382 2.860 1.00 0.00 N ATOM 436 CA ASN A 28 -11.950 -0.394 3.571 1.00 0.00 C ATOM 437 C ASN A 28 -11.847 -1.883 3.228 1.00 0.00 C ATOM 438 O ASN A 28 -12.697 -2.674 3.586 1.00 0.00 O ATOM 439 CB ASN A 28 -13.275 0.195 3.085 1.00 0.00 C ATOM 440 CG ASN A 28 -13.993 0.845 4.269 1.00 0.00 C ATOM 441 OD1 ASN A 28 -13.962 0.328 5.367 1.00 0.00 O ATOM 442 ND2 ASN A 28 -14.635 1.968 4.097 1.00 0.00 N ATOM 0 H ASN A 28 -10.652 0.051 1.926 1.00 0.00 H new ATOM 0 HA ASN A 28 -11.854 -0.323 4.654 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -13.095 0.932 2.303 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -13.898 -0.587 2.650 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -15.110 2.410 4.884 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -14.662 2.404 3.175 1.00 0.00 H new ATOM 449 N PHE A 29 -10.808 -2.264 2.539 1.00 0.00 N ATOM 450 CA PHE A 29 -10.634 -3.694 2.165 1.00 0.00 C ATOM 451 C PHE A 29 -9.163 -3.940 1.809 1.00 0.00 C ATOM 452 O PHE A 29 -8.538 -4.862 2.279 1.00 0.00 O ATOM 453 CB PHE A 29 -11.549 -3.867 0.929 1.00 0.00 C ATOM 454 CG PHE A 29 -11.265 -5.152 0.150 1.00 0.00 C ATOM 455 CD1 PHE A 29 -10.351 -6.110 0.609 1.00 0.00 C ATOM 456 CD2 PHE A 29 -11.895 -5.346 -1.085 1.00 0.00 C ATOM 457 CE1 PHE A 29 -10.073 -7.241 -0.161 1.00 0.00 C ATOM 458 CE2 PHE A 29 -11.611 -6.470 -1.859 1.00 0.00 C ATOM 459 CZ PHE A 29 -10.696 -7.420 -1.399 1.00 0.00 C ATOM 0 H PHE A 29 -10.067 -1.641 2.217 1.00 0.00 H new ATOM 0 HA PHE A 29 -10.890 -4.395 2.959 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -12.590 -3.867 1.252 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -11.421 -3.011 0.266 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -9.860 -5.973 1.561 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -12.608 -4.618 -1.442 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.374 -7.980 0.201 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -12.098 -6.606 -2.813 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.471 -8.290 -1.998 1.00 0.00 H new ATOM 469 N LEU A 30 -8.613 -3.122 0.979 1.00 0.00 N ATOM 470 CA LEU A 30 -7.195 -3.323 0.560 1.00 0.00 C ATOM 471 C LEU A 30 -6.289 -2.777 1.620 1.00 0.00 C ATOM 472 O LEU A 30 -5.223 -3.289 1.898 1.00 0.00 O ATOM 473 CB LEU A 30 -7.060 -2.550 -0.765 1.00 0.00 C ATOM 474 CG LEU A 30 -8.302 -2.822 -1.595 1.00 0.00 C ATOM 475 CD1 LEU A 30 -8.393 -1.883 -2.796 1.00 0.00 C ATOM 476 CD2 LEU A 30 -8.314 -4.272 -2.101 1.00 0.00 C ATOM 0 H LEU A 30 -9.078 -2.314 0.564 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.925 -4.371 0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.955 -1.482 -0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.166 -2.867 -1.302 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.160 -2.650 -0.945 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.294 -2.108 -3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -8.431 -0.851 -2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.518 -2.020 -3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.213 -4.443 -2.693 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.434 -4.449 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -8.304 -4.954 -1.251 1.00 0.00 H new ATOM 488 N PHE A 31 -6.720 -1.736 2.217 1.00 0.00 N ATOM 489 CA PHE A 31 -5.926 -1.108 3.273 1.00 0.00 C ATOM 490 C PHE A 31 -6.245 -1.740 4.629 1.00 0.00 C ATOM 491 O PHE A 31 -5.367 -2.170 5.352 1.00 0.00 O ATOM 492 CB PHE A 31 -6.427 0.302 3.224 1.00 0.00 C ATOM 493 CG PHE A 31 -6.086 0.941 1.891 1.00 0.00 C ATOM 494 CD1 PHE A 31 -5.464 0.220 0.844 1.00 0.00 C ATOM 495 CD2 PHE A 31 -6.381 2.286 1.715 1.00 0.00 C ATOM 496 CE1 PHE A 31 -5.150 0.879 -0.353 1.00 0.00 C ATOM 497 CE2 PHE A 31 -6.058 2.933 0.529 1.00 0.00 C ATOM 498 CZ PHE A 31 -5.442 2.234 -0.501 1.00 0.00 C ATOM 0 H PHE A 31 -7.610 -1.279 2.016 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.848 -1.207 3.142 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -7.506 0.316 3.375 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.984 0.880 4.035 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -5.233 -0.828 0.966 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.867 2.835 2.508 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -4.682 0.337 -1.161 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.286 3.982 0.408 1.00 0.00 H new ATOM 0 HZ PHE A 31 -5.188 2.742 -1.420 1.00 0.00 H new ATOM 508 N LYS A 32 -7.503 -1.793 4.974 1.00 0.00 N ATOM 509 CA LYS A 32 -7.902 -2.388 6.281 1.00 0.00 C ATOM 510 C LYS A 32 -7.531 -3.874 6.337 1.00 0.00 C ATOM 511 O LYS A 32 -7.638 -4.508 7.368 1.00 0.00 O ATOM 512 CB LYS A 32 -9.421 -2.208 6.346 1.00 0.00 C ATOM 513 CG LYS A 32 -9.780 -1.313 7.534 1.00 0.00 C ATOM 514 CD LYS A 32 -10.038 0.114 7.041 1.00 0.00 C ATOM 515 CE LYS A 32 -9.633 1.113 8.129 1.00 0.00 C ATOM 516 NZ LYS A 32 -8.186 1.372 7.891 1.00 0.00 N ATOM 0 H LYS A 32 -8.275 -1.448 4.404 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.395 -1.912 7.120 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.785 -1.764 5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.909 -3.178 6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.665 -1.700 8.040 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.970 -1.316 8.263 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.471 0.303 6.130 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.092 0.239 6.792 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.216 2.032 8.059 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.803 0.703 9.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.834 2.049 8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.656 0.481 7.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -8.056 1.768 6.938 1.00 0.00 H new ATOM 530 N GLN A 33 -7.089 -4.439 5.243 1.00 0.00 N ATOM 531 CA GLN A 33 -6.711 -5.883 5.262 1.00 0.00 C ATOM 532 C GLN A 33 -5.261 -6.061 4.790 1.00 0.00 C ATOM 533 O GLN A 33 -4.334 -5.675 5.477 1.00 0.00 O ATOM 534 CB GLN A 33 -7.691 -6.574 4.315 1.00 0.00 C ATOM 535 CG GLN A 33 -9.125 -6.183 4.680 1.00 0.00 C ATOM 536 CD GLN A 33 -10.062 -7.350 4.371 1.00 0.00 C ATOM 537 OE1 GLN A 33 -9.960 -7.964 3.224 1.00 0.00 O flip ATOM 538 NE2 GLN A 33 -10.891 -7.711 5.182 1.00 0.00 N flip ATOM 0 H GLN A 33 -6.974 -3.968 4.346 1.00 0.00 H new ATOM 0 HA GLN A 33 -6.764 -6.309 6.264 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.478 -6.290 3.285 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -7.572 -7.656 4.378 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.185 -5.923 5.737 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -9.428 -5.300 4.117 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.970 -7.231 6.078 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.508 -8.494 4.967 1.00 0.00 H new ATOM 547 N GLY A 34 -5.039 -6.646 3.640 1.00 0.00 N ATOM 548 CA GLY A 34 -3.637 -6.833 3.177 1.00 0.00 C ATOM 549 C GLY A 34 -3.567 -6.873 1.646 1.00 0.00 C ATOM 550 O GLY A 34 -2.768 -7.591 1.078 1.00 0.00 O ATOM 0 H GLY A 34 -5.761 -6.997 3.011 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -3.014 -6.021 3.552 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.235 -7.759 3.588 1.00 0.00 H new ATOM 554 N LEU A 35 -4.369 -6.096 0.968 1.00 0.00 N ATOM 555 CA LEU A 35 -4.301 -6.094 -0.523 1.00 0.00 C ATOM 556 C LEU A 35 -3.596 -4.838 -0.993 1.00 0.00 C ATOM 557 O LEU A 35 -2.862 -4.854 -1.952 1.00 0.00 O ATOM 558 CB LEU A 35 -5.730 -6.047 -1.037 1.00 0.00 C ATOM 559 CG LEU A 35 -6.573 -7.130 -0.390 1.00 0.00 C ATOM 560 CD1 LEU A 35 -7.381 -6.542 0.765 1.00 0.00 C ATOM 561 CD2 LEU A 35 -7.524 -7.673 -1.449 1.00 0.00 C ATOM 0 H LEU A 35 -5.062 -5.468 1.376 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.767 -6.974 -0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.164 -5.069 -0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -5.736 -6.174 -2.120 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.935 -7.923 0.000 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.983 -7.326 1.224 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.702 -6.124 1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.035 -5.756 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.145 -8.456 -1.013 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -8.160 -6.867 -1.815 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -6.948 -8.086 -2.278 1.00 0.00 H new ATOM 573 N ALA A 36 -3.860 -3.741 -0.335 1.00 0.00 N ATOM 574 CA ALA A 36 -3.234 -2.444 -0.749 1.00 0.00 C ATOM 575 C ALA A 36 -3.099 -1.458 0.410 1.00 0.00 C ATOM 576 O ALA A 36 -3.467 -1.730 1.537 1.00 0.00 O ATOM 577 CB ALA A 36 -4.222 -1.840 -1.737 1.00 0.00 C ATOM 0 H ALA A 36 -4.482 -3.683 0.472 1.00 0.00 H new ATOM 0 HA ALA A 36 -2.234 -2.625 -1.143 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.841 -0.883 -2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.351 -2.516 -2.582 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.182 -1.688 -1.244 1.00 0.00 H new ATOM 583 N ILE A 37 -2.620 -0.282 0.097 1.00 0.00 N ATOM 584 CA ILE A 37 -2.507 0.796 1.128 1.00 0.00 C ATOM 585 C ILE A 37 -2.817 2.147 0.484 1.00 0.00 C ATOM 586 O ILE A 37 -2.757 2.304 -0.719 1.00 0.00 O ATOM 587 CB ILE A 37 -1.073 0.769 1.640 1.00 0.00 C ATOM 588 CG1 ILE A 37 -0.122 1.115 0.495 1.00 0.00 C ATOM 589 CG2 ILE A 37 -0.764 -0.621 2.179 1.00 0.00 C ATOM 590 CD1 ILE A 37 1.319 0.821 0.914 1.00 0.00 C ATOM 0 H ILE A 37 -2.300 -0.019 -0.835 1.00 0.00 H new ATOM 0 HA ILE A 37 -3.209 0.642 1.948 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.946 1.499 2.439 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.379 0.535 -0.391 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.226 2.167 0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 37 0.261 -0.649 2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.449 -0.856 2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -0.883 -1.355 1.382 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.994 1.069 0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.573 1.421 1.788 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.418 -0.237 1.158 1.00 0.00 H new ATOM 602 N GLU A 38 -3.152 3.118 1.276 1.00 0.00 N ATOM 603 CA GLU A 38 -3.475 4.468 0.719 1.00 0.00 C ATOM 604 C GLU A 38 -2.362 4.932 -0.216 1.00 0.00 C ATOM 605 O GLU A 38 -1.273 5.234 0.220 1.00 0.00 O ATOM 606 CB GLU A 38 -3.567 5.378 1.949 1.00 0.00 C ATOM 607 CG GLU A 38 -3.584 6.849 1.522 1.00 0.00 C ATOM 608 CD GLU A 38 -2.948 7.699 2.624 1.00 0.00 C ATOM 609 OE1 GLU A 38 -3.247 7.453 3.781 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.172 8.579 2.293 1.00 0.00 O ATOM 0 H GLU A 38 -3.219 3.042 2.291 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.395 4.473 0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.469 5.146 2.515 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.720 5.194 2.610 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.038 6.975 0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.608 7.175 1.339 1.00 0.00 H new ATOM 617 N ALA A 39 -2.610 4.997 -1.500 1.00 0.00 N ATOM 618 CA ALA A 39 -1.509 5.456 -2.407 1.00 0.00 C ATOM 619 C ALA A 39 -0.916 6.784 -1.895 1.00 0.00 C ATOM 620 O ALA A 39 -1.438 7.847 -2.164 1.00 0.00 O ATOM 621 CB ALA A 39 -2.155 5.661 -3.777 1.00 0.00 C ATOM 0 H ALA A 39 -3.495 4.762 -1.950 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.696 4.731 -2.450 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -1.401 5.998 -4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.584 4.720 -4.121 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.942 6.412 -3.700 1.00 0.00 H new ATOM 627 N THR A 40 0.178 6.729 -1.170 1.00 0.00 N ATOM 628 CA THR A 40 0.804 7.997 -0.655 1.00 0.00 C ATOM 629 C THR A 40 2.109 8.283 -1.388 1.00 0.00 C ATOM 630 O THR A 40 2.775 7.380 -1.842 1.00 0.00 O ATOM 631 CB THR A 40 1.097 7.784 0.841 1.00 0.00 C ATOM 632 OG1 THR A 40 2.259 8.519 1.198 1.00 0.00 O ATOM 633 CG2 THR A 40 1.349 6.307 1.152 1.00 0.00 C ATOM 0 H THR A 40 0.663 5.870 -0.913 1.00 0.00 H new ATOM 0 HA THR A 40 0.133 8.841 -0.813 1.00 0.00 H new ATOM 0 HB THR A 40 0.230 8.123 1.407 1.00 0.00 H new ATOM 0 HG1 THR A 40 2.449 8.388 2.150 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.553 6.189 2.216 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.468 5.723 0.884 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.206 5.955 0.577 1.00 0.00 H new ATOM 641 N PRO A 41 2.443 9.539 -1.464 1.00 0.00 N ATOM 642 CA PRO A 41 3.712 9.888 -2.152 1.00 0.00 C ATOM 643 C PRO A 41 4.857 9.025 -1.612 1.00 0.00 C ATOM 644 O PRO A 41 5.494 8.301 -2.352 1.00 0.00 O ATOM 645 CB PRO A 41 3.919 11.365 -1.825 1.00 0.00 C ATOM 646 CG PRO A 41 3.157 11.584 -0.563 1.00 0.00 C ATOM 647 CD PRO A 41 1.982 10.645 -0.608 1.00 0.00 C ATOM 0 HA PRO A 41 3.682 9.711 -3.227 1.00 0.00 H new ATOM 0 HB2 PRO A 41 4.976 11.597 -1.695 1.00 0.00 H new ATOM 0 HB3 PRO A 41 3.549 12.004 -2.627 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.781 11.383 0.308 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.824 12.619 -0.485 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.713 10.294 0.388 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.099 11.130 -1.024 1.00 0.00 H new ATOM 655 N ALA A 42 5.118 9.091 -0.332 1.00 0.00 N ATOM 656 CA ALA A 42 6.215 8.264 0.262 1.00 0.00 C ATOM 657 C ALA A 42 6.286 6.887 -0.412 1.00 0.00 C ATOM 658 O ALA A 42 7.290 6.519 -0.989 1.00 0.00 O ATOM 659 CB ALA A 42 5.848 8.118 1.740 1.00 0.00 C ATOM 0 H ALA A 42 4.618 9.683 0.331 1.00 0.00 H new ATOM 0 HA ALA A 42 7.192 8.728 0.125 1.00 0.00 H new ATOM 0 HB1 ALA A 42 6.607 7.522 2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.795 9.104 2.201 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.880 7.624 1.828 1.00 0.00 H new ATOM 665 N ASN A 43 5.225 6.121 -0.337 1.00 0.00 N ATOM 666 CA ASN A 43 5.231 4.765 -0.967 1.00 0.00 C ATOM 667 C ASN A 43 5.292 4.881 -2.490 1.00 0.00 C ATOM 668 O ASN A 43 6.095 4.242 -3.141 1.00 0.00 O ATOM 669 CB ASN A 43 3.907 4.123 -0.543 1.00 0.00 C ATOM 670 CG ASN A 43 3.787 4.157 0.981 1.00 0.00 C ATOM 671 OD1 ASN A 43 4.752 4.418 1.671 1.00 0.00 O ATOM 672 ND2 ASN A 43 2.635 3.901 1.536 1.00 0.00 N ATOM 0 H ASN A 43 4.356 6.376 0.133 1.00 0.00 H new ATOM 0 HA ASN A 43 6.095 4.178 -0.656 1.00 0.00 H new ATOM 0 HB2 ASN A 43 3.071 4.656 -0.996 1.00 0.00 H new ATOM 0 HB3 ASN A 43 3.859 3.094 -0.899 1.00 0.00 H new ATOM 0 HD21 ASN A 43 2.543 3.920 2.552 1.00 0.00 H new ATOM 0 HD22 ASN A 43 1.826 3.682 0.954 1.00 0.00 H new ATOM 679 N LEU A 44 4.442 5.685 -3.061 1.00 0.00 N ATOM 680 CA LEU A 44 4.439 5.841 -4.539 1.00 0.00 C ATOM 681 C LEU A 44 5.870 6.017 -5.052 1.00 0.00 C ATOM 682 O LEU A 44 6.212 5.562 -6.126 1.00 0.00 O ATOM 683 CB LEU A 44 3.599 7.092 -4.797 1.00 0.00 C ATOM 684 CG LEU A 44 2.204 6.673 -5.259 1.00 0.00 C ATOM 685 CD1 LEU A 44 2.320 5.883 -6.562 1.00 0.00 C ATOM 686 CD2 LEU A 44 1.548 5.798 -4.186 1.00 0.00 C ATOM 0 H LEU A 44 3.747 6.243 -2.565 1.00 0.00 H new ATOM 0 HA LEU A 44 4.032 4.971 -5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.530 7.692 -3.890 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.075 7.714 -5.555 1.00 0.00 H new ATOM 0 HG LEU A 44 1.593 7.560 -5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.327 5.582 -6.895 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.785 6.507 -7.325 1.00 0.00 H new ATOM 0 HD13 LEU A 44 2.931 4.996 -6.396 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.553 5.500 -4.517 1.00 0.00 H new ATOM 0 HD22 LEU A 44 2.156 4.909 -4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.467 6.361 -3.256 1.00 0.00 H new ATOM 698 N LYS A 45 6.715 6.657 -4.293 1.00 0.00 N ATOM 699 CA LYS A 45 8.121 6.836 -4.749 1.00 0.00 C ATOM 700 C LYS A 45 8.805 5.470 -4.849 1.00 0.00 C ATOM 701 O LYS A 45 9.388 5.130 -5.859 1.00 0.00 O ATOM 702 CB LYS A 45 8.786 7.690 -3.672 1.00 0.00 C ATOM 703 CG LYS A 45 10.251 7.924 -4.047 1.00 0.00 C ATOM 704 CD LYS A 45 10.972 8.590 -2.876 1.00 0.00 C ATOM 705 CE LYS A 45 10.149 9.787 -2.393 1.00 0.00 C ATOM 706 NZ LYS A 45 10.929 10.377 -1.267 1.00 0.00 N ATOM 0 H LYS A 45 6.495 7.061 -3.383 1.00 0.00 H new ATOM 0 HA LYS A 45 8.185 7.306 -5.730 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.267 8.643 -3.575 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.721 7.192 -2.705 1.00 0.00 H new ATOM 0 HG2 LYS A 45 10.731 6.977 -4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 45 10.315 8.554 -4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.108 7.876 -2.064 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.965 8.917 -3.183 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.005 10.513 -3.193 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.158 9.475 -2.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.422 11.202 -0.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 11.045 9.667 -0.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 11.865 10.673 -1.611 1.00 0.00 H new ATOM 720 N ALA A 46 8.733 4.683 -3.811 1.00 0.00 N ATOM 721 CA ALA A 46 9.371 3.338 -3.852 1.00 0.00 C ATOM 722 C ALA A 46 8.901 2.576 -5.090 1.00 0.00 C ATOM 723 O ALA A 46 9.691 2.004 -5.814 1.00 0.00 O ATOM 724 CB ALA A 46 8.904 2.638 -2.574 1.00 0.00 C ATOM 0 H ALA A 46 8.260 4.913 -2.937 1.00 0.00 H new ATOM 0 HA ALA A 46 10.458 3.393 -3.907 1.00 0.00 H new ATOM 0 HB1 ALA A 46 9.333 1.637 -2.530 1.00 0.00 H new ATOM 0 HB2 ALA A 46 9.230 3.211 -1.706 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.816 2.567 -2.575 1.00 0.00 H new ATOM 730 N LEU A 47 7.622 2.572 -5.348 1.00 0.00 N ATOM 731 CA LEU A 47 7.112 1.857 -6.551 1.00 0.00 C ATOM 732 C LEU A 47 7.617 2.568 -7.808 1.00 0.00 C ATOM 733 O LEU A 47 8.181 1.963 -8.698 1.00 0.00 O ATOM 734 CB LEU A 47 5.586 1.958 -6.470 1.00 0.00 C ATOM 735 CG LEU A 47 5.011 0.967 -5.444 1.00 0.00 C ATOM 736 CD1 LEU A 47 4.698 -0.365 -6.128 1.00 0.00 C ATOM 737 CD2 LEU A 47 6.002 0.732 -4.299 1.00 0.00 C ATOM 0 H LEU A 47 6.910 3.031 -4.780 1.00 0.00 H new ATOM 0 HA LEU A 47 7.444 0.820 -6.591 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.301 2.974 -6.196 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.154 1.760 -7.451 1.00 0.00 H new ATOM 0 HG LEU A 47 4.096 1.393 -5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.291 -1.063 -5.396 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.968 -0.204 -6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.612 -0.779 -6.555 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.574 0.028 -3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.930 0.324 -4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.208 1.677 -3.797 1.00 0.00 H new ATOM 749 N GLU A 48 7.411 3.854 -7.880 1.00 0.00 N ATOM 750 CA GLU A 48 7.868 4.627 -9.066 1.00 0.00 C ATOM 751 C GLU A 48 9.346 4.336 -9.352 1.00 0.00 C ATOM 752 O GLU A 48 9.779 4.351 -10.486 1.00 0.00 O ATOM 753 CB GLU A 48 7.658 6.094 -8.677 1.00 0.00 C ATOM 754 CG GLU A 48 8.523 7.001 -9.558 1.00 0.00 C ATOM 755 CD GLU A 48 7.993 6.977 -10.993 1.00 0.00 C ATOM 756 OE1 GLU A 48 6.838 6.625 -11.170 1.00 0.00 O ATOM 757 OE2 GLU A 48 8.750 7.308 -11.890 1.00 0.00 O ATOM 0 H GLU A 48 6.942 4.406 -7.162 1.00 0.00 H new ATOM 0 HA GLU A 48 7.323 4.367 -9.973 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.607 6.361 -8.788 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.915 6.241 -7.628 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.510 8.020 -9.172 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.560 6.665 -9.537 1.00 0.00 H new ATOM 764 N ALA A 49 10.124 4.067 -8.337 1.00 0.00 N ATOM 765 CA ALA A 49 11.567 3.774 -8.577 1.00 0.00 C ATOM 766 C ALA A 49 11.718 2.423 -9.280 1.00 0.00 C ATOM 767 O ALA A 49 12.477 2.283 -10.218 1.00 0.00 O ATOM 768 CB ALA A 49 12.205 3.740 -7.188 1.00 0.00 C ATOM 0 H ALA A 49 9.827 4.038 -7.362 1.00 0.00 H new ATOM 0 HA ALA A 49 12.041 4.518 -9.217 1.00 0.00 H new ATOM 0 HB1 ALA A 49 13.270 3.529 -7.282 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.068 4.705 -6.701 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.732 2.961 -6.589 1.00 0.00 H new ATOM 774 N GLN A 50 10.994 1.428 -8.844 1.00 0.00 N ATOM 775 CA GLN A 50 11.096 0.094 -9.502 1.00 0.00 C ATOM 776 C GLN A 50 10.265 0.093 -10.788 1.00 0.00 C ATOM 777 O GLN A 50 10.440 -0.742 -11.655 1.00 0.00 O ATOM 778 CB GLN A 50 10.518 -0.900 -8.492 1.00 0.00 C ATOM 779 CG GLN A 50 11.255 -2.237 -8.606 1.00 0.00 C ATOM 780 CD GLN A 50 10.260 -3.341 -8.978 1.00 0.00 C ATOM 781 OE1 GLN A 50 9.073 -3.099 -9.071 1.00 0.00 O ATOM 782 NE2 GLN A 50 10.696 -4.552 -9.192 1.00 0.00 N ATOM 0 H GLN A 50 10.339 1.480 -8.064 1.00 0.00 H new ATOM 0 HA GLN A 50 12.121 -0.160 -9.773 1.00 0.00 H new ATOM 0 HB2 GLN A 50 10.616 -0.505 -7.481 1.00 0.00 H new ATOM 0 HB3 GLN A 50 9.453 -1.043 -8.677 1.00 0.00 H new ATOM 0 HG2 GLN A 50 12.038 -2.169 -9.361 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.743 -2.477 -7.661 1.00 0.00 H new ATOM 0 HE21 GLN A 50 11.692 -4.757 -9.114 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.041 -5.294 -9.437 1.00 0.00 H new ATOM 791 N LYS A 51 9.361 1.028 -10.916 1.00 0.00 N ATOM 792 CA LYS A 51 8.512 1.092 -12.141 1.00 0.00 C ATOM 793 C LYS A 51 9.178 1.969 -13.208 1.00 0.00 C ATOM 794 O LYS A 51 8.784 1.967 -14.357 1.00 0.00 O ATOM 795 CB LYS A 51 7.197 1.720 -11.673 1.00 0.00 C ATOM 796 CG LYS A 51 6.145 1.594 -12.776 1.00 0.00 C ATOM 797 CD LYS A 51 4.809 2.153 -12.277 1.00 0.00 C ATOM 798 CE LYS A 51 3.885 0.995 -11.876 1.00 0.00 C ATOM 799 NZ LYS A 51 3.008 1.544 -10.798 1.00 0.00 N ATOM 0 H LYS A 51 9.174 1.752 -10.223 1.00 0.00 H new ATOM 0 HA LYS A 51 8.361 0.111 -12.591 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.849 1.225 -10.766 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.352 2.770 -11.423 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.468 2.136 -13.665 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.029 0.549 -13.064 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.974 2.812 -11.424 1.00 0.00 H new ATOM 0 HD3 LYS A 51 4.340 2.753 -13.057 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.295 0.651 -12.725 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.459 0.140 -11.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 2.409 0.784 -10.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.598 1.934 -10.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 2.406 2.296 -11.190 1.00 0.00 H new ATOM 813 N GLN A 52 10.183 2.720 -12.840 1.00 0.00 N ATOM 814 CA GLN A 52 10.866 3.592 -13.843 1.00 0.00 C ATOM 815 C GLN A 52 11.405 2.747 -15.005 1.00 0.00 C ATOM 816 O GLN A 52 11.730 3.260 -16.057 1.00 0.00 O ATOM 817 CB GLN A 52 12.012 4.262 -13.079 1.00 0.00 C ATOM 818 CG GLN A 52 13.028 4.834 -14.072 1.00 0.00 C ATOM 819 CD GLN A 52 13.698 6.069 -13.468 1.00 0.00 C ATOM 820 OE1 GLN A 52 13.206 6.635 -12.510 1.00 0.00 O ATOM 821 NE2 GLN A 52 14.807 6.516 -13.988 1.00 0.00 N ATOM 0 H GLN A 52 10.559 2.768 -11.893 1.00 0.00 H new ATOM 0 HA GLN A 52 10.189 4.327 -14.278 1.00 0.00 H new ATOM 0 HB2 GLN A 52 11.622 5.057 -12.443 1.00 0.00 H new ATOM 0 HB3 GLN A 52 12.497 3.539 -12.423 1.00 0.00 H new ATOM 0 HG2 GLN A 52 13.779 4.082 -14.313 1.00 0.00 H new ATOM 0 HG3 GLN A 52 12.530 5.098 -15.005 1.00 0.00 H new ATOM 0 HE21 GLN A 52 15.221 6.043 -14.791 1.00 0.00 H new ATOM 0 HE22 GLN A 52 15.261 7.339 -13.592 1.00 0.00 H new ATOM 830 N LYS A 53 11.501 1.456 -14.826 1.00 0.00 N ATOM 831 CA LYS A 53 12.015 0.586 -15.927 1.00 0.00 C ATOM 832 C LYS A 53 10.845 0.056 -16.770 1.00 0.00 C ATOM 833 O LYS A 53 9.730 0.525 -16.660 1.00 0.00 O ATOM 834 CB LYS A 53 12.734 -0.565 -15.220 1.00 0.00 C ATOM 835 CG LYS A 53 14.230 -0.258 -15.127 1.00 0.00 C ATOM 836 CD LYS A 53 14.525 0.445 -13.799 1.00 0.00 C ATOM 837 CE LYS A 53 15.887 -0.009 -13.267 1.00 0.00 C ATOM 838 NZ LYS A 53 15.655 -0.308 -11.827 1.00 0.00 N ATOM 0 H LYS A 53 11.247 0.966 -13.968 1.00 0.00 H new ATOM 0 HA LYS A 53 12.678 1.123 -16.605 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.319 -0.707 -14.222 1.00 0.00 H new ATOM 0 HB3 LYS A 53 12.577 -1.495 -15.766 1.00 0.00 H new ATOM 0 HG2 LYS A 53 14.807 -1.180 -15.198 1.00 0.00 H new ATOM 0 HG3 LYS A 53 14.535 0.374 -15.961 1.00 0.00 H new ATOM 0 HD2 LYS A 53 14.520 1.526 -13.940 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.745 0.215 -13.073 1.00 0.00 H new ATOM 0 HE2 LYS A 53 16.246 -0.889 -13.800 1.00 0.00 H new ATOM 0 HE3 LYS A 53 16.640 0.769 -13.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 16.544 -0.626 -11.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 15.320 0.550 -11.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 14.939 -1.057 -11.739 1.00 0.00 H new ATOM 852 N GLU A 54 11.086 -0.922 -17.603 1.00 0.00 N ATOM 853 CA GLU A 54 9.981 -1.478 -18.440 1.00 0.00 C ATOM 854 C GLU A 54 10.177 -2.983 -18.639 1.00 0.00 C ATOM 855 O GLU A 54 9.281 -3.772 -18.412 1.00 0.00 O ATOM 856 CB GLU A 54 10.075 -0.745 -19.780 1.00 0.00 C ATOM 857 CG GLU A 54 8.905 0.232 -19.911 1.00 0.00 C ATOM 858 CD GLU A 54 7.684 -0.501 -20.469 1.00 0.00 C ATOM 859 OE1 GLU A 54 7.402 -1.589 -19.994 1.00 0.00 O ATOM 860 OE2 GLU A 54 7.050 0.038 -21.362 1.00 0.00 O ATOM 0 H GLU A 54 11.997 -1.359 -17.740 1.00 0.00 H new ATOM 0 HA GLU A 54 9.006 -1.340 -17.973 1.00 0.00 H new ATOM 0 HB2 GLU A 54 11.021 -0.207 -19.847 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.057 -1.462 -20.601 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.669 0.665 -18.939 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.179 1.057 -20.569 1.00 0.00 H new ATOM 867 N GLN A 55 11.344 -3.387 -19.060 1.00 0.00 N ATOM 868 CA GLN A 55 11.598 -4.841 -19.273 1.00 0.00 C ATOM 869 C GLN A 55 13.106 -5.113 -19.278 1.00 0.00 C ATOM 870 O GLN A 55 13.625 -5.769 -20.158 1.00 0.00 O ATOM 871 CB GLN A 55 10.986 -5.153 -20.640 1.00 0.00 C ATOM 872 CG GLN A 55 10.043 -6.354 -20.520 1.00 0.00 C ATOM 873 CD GLN A 55 10.189 -7.239 -21.759 1.00 0.00 C ATOM 874 OE1 GLN A 55 9.652 -6.934 -22.806 1.00 0.00 O ATOM 875 NE2 GLN A 55 10.900 -8.330 -21.684 1.00 0.00 N ATOM 0 H GLN A 55 12.133 -2.774 -19.266 1.00 0.00 H new ATOM 0 HA GLN A 55 11.166 -5.460 -18.487 1.00 0.00 H new ATOM 0 HB2 GLN A 55 10.441 -4.286 -21.012 1.00 0.00 H new ATOM 0 HB3 GLN A 55 11.774 -5.368 -21.362 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.276 -6.925 -19.622 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.012 -6.013 -20.422 1.00 0.00 H new ATOM 0 HE21 GLN A 55 11.351 -8.586 -20.805 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.005 -8.927 -22.504 1.00 0.00 H new ATOM 884 N ARG A 56 13.813 -4.609 -18.302 1.00 0.00 N ATOM 885 CA ARG A 56 15.287 -4.835 -18.255 1.00 0.00 C ATOM 886 C ARG A 56 15.810 -4.632 -16.831 1.00 0.00 C ATOM 887 O ARG A 56 16.859 -5.174 -16.521 1.00 0.00 O ATOM 888 CB ARG A 56 15.871 -3.785 -19.199 1.00 0.00 C ATOM 889 CG ARG A 56 17.141 -4.331 -19.851 1.00 0.00 C ATOM 890 CD ARG A 56 18.199 -4.574 -18.775 1.00 0.00 C ATOM 891 NE ARG A 56 19.496 -4.521 -19.502 1.00 0.00 N ATOM 892 CZ ARG A 56 20.465 -5.325 -19.161 1.00 0.00 C ATOM 893 NH1 ARG A 56 20.474 -5.867 -17.976 1.00 0.00 N ATOM 894 NH2 ARG A 56 21.423 -5.589 -20.008 1.00 0.00 N ATOM 895 OXT ARG A 56 15.153 -3.936 -16.074 1.00 0.00 O ATOM 0 H ARG A 56 13.434 -4.051 -17.536 1.00 0.00 H new ATOM 0 HA ARG A 56 15.562 -5.848 -18.548 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.141 -3.523 -19.965 1.00 0.00 H new ATOM 0 HB3 ARG A 56 16.097 -2.872 -18.648 1.00 0.00 H new ATOM 0 HG2 ARG A 56 16.922 -5.260 -20.378 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.515 -3.625 -20.592 1.00 0.00 H new ATOM 0 HD2 ARG A 56 18.151 -3.815 -17.994 1.00 0.00 H new ATOM 0 HD3 ARG A 56 18.056 -5.540 -18.290 1.00 0.00 H new ATOM 0 HE ARG A 56 19.627 -3.857 -20.265 1.00 0.00 H new ATOM 0 HH11 ARG A 56 19.724 -5.662 -17.316 1.00 0.00 H new ATOM 0 HH12 ARG A 56 21.231 -6.496 -17.709 1.00 0.00 H new ATOM 0 HH21 ARG A 56 21.414 -5.167 -20.936 1.00 0.00 H new ATOM 0 HH22 ARG A 56 22.181 -6.218 -19.741 1.00 0.00 H new TER 909 ARG A 56