USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 435 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -127:sc= 0 (180deg=-0.118) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0173 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 177:sc= 0 (180deg=-0.0183) USER MOD Single : A 26 MET CE :methyl 150:sc= -0.393 (180deg=-0.746) USER MOD Single : A 31 HIS : no HD1:sc= -0.36 X(o=-0.36,f=-0.54) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.0495 USER MOD Single : A 46 SER OG : rot -36:sc= 1.3 USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0469) USER MOD Single : A 51 TYR OH : rot 180:sc= -2.37 USER MOD Single : A 55 ASN : amide:sc= -1.5 X(o=-1.5,f=-1.6!) USER MOD Single : A 56 THR OG1 : rot 121:sc= -3.47! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -2.11! C(o=-2.1!,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 -11.605 4.760 -0.816 1.00 0.00 N ATOM 19 CA LYS A 2 -11.723 3.588 0.035 1.00 0.00 C ATOM 20 C LYS A 2 -10.815 2.479 -0.502 1.00 0.00 C ATOM 21 O LYS A 2 -10.725 2.278 -1.712 1.00 0.00 O ATOM 22 CB LYS A 2 -13.188 3.171 0.173 1.00 0.00 C ATOM 23 CG LYS A 2 -13.736 2.646 -1.156 1.00 0.00 C ATOM 24 CD LYS A 2 -14.727 3.637 -1.770 1.00 0.00 C ATOM 25 CE LYS A 2 -16.130 3.437 -1.194 1.00 0.00 C ATOM 26 NZ LYS A 2 -17.154 3.632 -2.245 1.00 0.00 N ATOM 0 HA LYS A 2 -11.384 3.816 1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.280 2.400 0.938 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.782 4.022 0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.913 2.472 -1.849 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.227 1.686 -0.997 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -14.393 4.657 -1.578 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -14.752 3.508 -2.852 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.218 2.435 -0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.299 4.140 -0.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -18.101 3.493 -1.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -17.080 4.596 -2.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -17.002 2.944 -3.010 1.00 0.00 H new ATOM 39 N CYS A 3 -10.166 1.789 0.424 1.00 0.00 N ATOM 40 CA CYS A 3 -9.269 0.706 0.059 1.00 0.00 C ATOM 41 C CYS A 3 -9.689 -0.546 0.831 1.00 0.00 C ATOM 42 O CYS A 3 -10.578 -0.488 1.679 1.00 0.00 O ATOM 43 CB CYS A 3 -7.806 1.072 0.316 1.00 0.00 C ATOM 44 SG CYS A 3 -7.422 2.854 0.160 1.00 0.00 S ATOM 0 H CYS A 3 -10.244 1.959 1.427 1.00 0.00 H new ATOM 0 HA CYS A 3 -9.344 0.513 -1.011 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -7.535 0.743 1.319 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.179 0.517 -0.382 1.00 0.00 H new ATOM 49 N LYS A 4 -9.029 -1.650 0.509 1.00 0.00 N ATOM 50 CA LYS A 4 -9.323 -2.914 1.162 1.00 0.00 C ATOM 51 C LYS A 4 -8.282 -3.174 2.253 1.00 0.00 C ATOM 52 O LYS A 4 -7.112 -2.829 2.094 1.00 0.00 O ATOM 53 CB LYS A 4 -9.425 -4.039 0.130 1.00 0.00 C ATOM 54 CG LYS A 4 -10.807 -4.056 -0.528 1.00 0.00 C ATOM 55 CD LYS A 4 -11.599 -5.296 -0.108 1.00 0.00 C ATOM 56 CE LYS A 4 -12.921 -5.386 -0.871 1.00 0.00 C ATOM 57 NZ LYS A 4 -12.681 -5.774 -2.279 1.00 0.00 N ATOM 0 H LYS A 4 -8.292 -1.695 -0.195 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.296 -2.872 1.652 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.657 -3.909 -0.632 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -9.236 -4.998 0.612 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -11.357 -3.157 -0.250 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.698 -4.040 -1.612 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -11.006 -6.191 -0.294 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -11.795 -5.261 0.964 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.575 -6.115 -0.393 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -13.435 -4.425 -0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.142 -5.089 -2.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.658 -5.784 -2.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.074 -6.722 -2.450 1.00 0.00 H new ATOM 70 N LYS A 5 -8.746 -3.779 3.337 1.00 0.00 N ATOM 71 CA LYS A 5 -7.869 -4.089 4.453 1.00 0.00 C ATOM 72 C LYS A 5 -6.999 -5.295 4.095 1.00 0.00 C ATOM 73 O LYS A 5 -6.934 -5.694 2.933 1.00 0.00 O ATOM 74 CB LYS A 5 -8.682 -4.277 5.736 1.00 0.00 C ATOM 75 CG LYS A 5 -9.452 -3.003 6.089 1.00 0.00 C ATOM 76 CD LYS A 5 -8.564 -2.021 6.858 1.00 0.00 C ATOM 77 CE LYS A 5 -8.941 -1.987 8.340 1.00 0.00 C ATOM 78 NZ LYS A 5 -8.118 -2.949 9.107 1.00 0.00 N ATOM 0 H LYS A 5 -9.717 -4.062 3.466 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.194 -3.256 4.649 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.380 -5.105 5.610 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.016 -4.543 6.557 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -9.818 -2.531 5.177 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.325 -3.256 6.690 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.519 -2.310 6.751 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -8.664 -1.023 6.431 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.798 -0.981 8.735 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.997 -2.228 8.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.387 -2.913 10.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -8.275 -3.910 8.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.113 -2.701 9.009 1.00 0.00 H new ATOM 91 N LEU A 6 -6.353 -5.842 5.113 1.00 0.00 N ATOM 92 CA LEU A 6 -5.490 -6.995 4.920 1.00 0.00 C ATOM 93 C LEU A 6 -6.201 -8.016 4.030 1.00 0.00 C ATOM 94 O LEU A 6 -5.755 -8.293 2.918 1.00 0.00 O ATOM 95 CB LEU A 6 -5.041 -7.561 6.269 1.00 0.00 C ATOM 96 CG LEU A 6 -3.745 -6.985 6.841 1.00 0.00 C ATOM 97 CD1 LEU A 6 -3.980 -5.597 7.441 1.00 0.00 C ATOM 98 CD2 LEU A 6 -3.115 -7.947 7.850 1.00 0.00 C ATOM 0 H LEU A 6 -6.410 -5.508 6.075 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.576 -6.704 4.403 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -5.839 -7.396 6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.921 -8.640 6.166 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.034 -6.866 6.023 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.043 -5.210 7.841 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -4.350 -4.924 6.667 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -4.715 -5.667 8.243 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.195 -7.513 8.241 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -3.811 -8.121 8.670 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -2.889 -8.893 7.358 1.00 0.00 H new ATOM 108 N VAL A 7 -7.296 -8.548 4.553 1.00 0.00 N ATOM 109 CA VAL A 7 -8.074 -9.532 3.820 1.00 0.00 C ATOM 110 C VAL A 7 -9.148 -8.817 2.997 1.00 0.00 C ATOM 111 O VAL A 7 -9.788 -7.885 3.481 1.00 0.00 O ATOM 112 CB VAL A 7 -8.653 -10.567 4.787 1.00 0.00 C ATOM 113 CG1 VAL A 7 -9.531 -11.578 4.047 1.00 0.00 C ATOM 114 CG2 VAL A 7 -7.540 -11.273 5.565 1.00 0.00 C ATOM 0 H VAL A 7 -7.663 -8.316 5.476 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.439 -10.078 3.122 1.00 0.00 H new ATOM 0 HB VAL A 7 -9.282 -10.040 5.505 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.930 -12.302 4.757 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -10.355 -11.056 3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -8.935 -12.097 3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.978 -12.003 6.245 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.874 -11.781 4.867 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -6.974 -10.538 6.137 1.00 0.00 H new ATOM 122 N PRO A 8 -9.316 -9.294 1.734 1.00 0.00 N ATOM 123 CA PRO A 8 -10.301 -8.711 0.839 1.00 0.00 C ATOM 124 C PRO A 8 -11.717 -9.141 1.227 1.00 0.00 C ATOM 125 O PRO A 8 -12.457 -9.670 0.400 1.00 0.00 O ATOM 126 CB PRO A 8 -9.897 -9.180 -0.549 1.00 0.00 C ATOM 127 CG PRO A 8 -8.985 -10.377 -0.336 1.00 0.00 C ATOM 128 CD PRO A 8 -8.576 -10.396 1.128 1.00 0.00 C ATOM 0 HA PRO A 8 -10.321 -7.622 0.887 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -10.772 -9.456 -1.138 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.382 -8.389 -1.094 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.499 -11.301 -0.601 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.106 -10.306 -0.977 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -8.828 -11.347 1.597 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.500 -10.260 1.240 1.00 0.00 H new ATOM 136 N LEU A 9 -12.051 -8.897 2.486 1.00 0.00 N ATOM 137 CA LEU A 9 -13.365 -9.252 2.994 1.00 0.00 C ATOM 138 C LEU A 9 -14.108 -7.980 3.408 1.00 0.00 C ATOM 139 O LEU A 9 -15.323 -7.884 3.240 1.00 0.00 O ATOM 140 CB LEU A 9 -13.245 -10.286 4.115 1.00 0.00 C ATOM 141 CG LEU A 9 -13.276 -11.753 3.680 1.00 0.00 C ATOM 142 CD1 LEU A 9 -12.964 -12.680 4.857 1.00 0.00 C ATOM 143 CD2 LEU A 9 -14.609 -12.100 3.015 1.00 0.00 C ATOM 0 H LEU A 9 -11.434 -8.458 3.169 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.958 -9.729 2.214 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.313 -10.106 4.650 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.057 -10.120 4.824 1.00 0.00 H new ATOM 0 HG LEU A 9 -12.496 -11.905 2.934 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.992 -13.717 4.521 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.972 -12.452 5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.705 -12.533 5.643 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.604 -13.148 2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -15.423 -11.927 3.719 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.751 -11.472 2.135 1.00 0.00 H new ATOM 153 N PHE A 10 -13.347 -7.036 3.941 1.00 0.00 N ATOM 154 CA PHE A 10 -13.918 -5.774 4.380 1.00 0.00 C ATOM 155 C PHE A 10 -13.111 -4.590 3.843 1.00 0.00 C ATOM 156 O PHE A 10 -11.898 -4.692 3.663 1.00 0.00 O ATOM 157 CB PHE A 10 -13.860 -5.765 5.909 1.00 0.00 C ATOM 158 CG PHE A 10 -14.398 -7.041 6.560 1.00 0.00 C ATOM 159 CD1 PHE A 10 -15.723 -7.338 6.481 1.00 0.00 C ATOM 160 CD2 PHE A 10 -13.551 -7.877 7.217 1.00 0.00 C ATOM 161 CE1 PHE A 10 -16.222 -8.522 7.085 1.00 0.00 C ATOM 162 CE2 PHE A 10 -14.050 -9.062 7.821 1.00 0.00 C ATOM 163 CZ PHE A 10 -15.375 -9.359 7.742 1.00 0.00 C ATOM 0 H PHE A 10 -12.340 -7.120 4.079 1.00 0.00 H new ATOM 0 HA PHE A 10 -14.939 -5.679 4.011 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -12.826 -5.618 6.222 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -14.430 -4.913 6.279 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -16.395 -6.673 5.959 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -12.499 -7.640 7.280 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -17.274 -8.758 7.023 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -13.378 -9.727 8.343 1.00 0.00 H new ATOM 0 HZ PHE A 10 -15.755 -10.260 8.201 1.00 0.00 H new ATOM 173 N SER A 11 -13.816 -3.494 3.604 1.00 0.00 N ATOM 174 CA SER A 11 -13.180 -2.292 3.091 1.00 0.00 C ATOM 175 C SER A 11 -13.452 -1.116 4.030 1.00 0.00 C ATOM 176 O SER A 11 -14.466 -1.094 4.727 1.00 0.00 O ATOM 177 CB SER A 11 -13.670 -1.969 1.679 1.00 0.00 C ATOM 178 OG SER A 11 -15.091 -2.024 1.581 1.00 0.00 O ATOM 0 H SER A 11 -14.821 -3.413 3.756 1.00 0.00 H new ATOM 0 HA SER A 11 -12.105 -2.468 3.041 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.325 -0.975 1.394 1.00 0.00 H new ATOM 0 HB3 SER A 11 -13.230 -2.673 0.973 1.00 0.00 H new ATOM 0 HG SER A 11 -15.364 -1.810 0.665 1.00 0.00 H new ATOM 184 N LYS A 12 -12.528 -0.165 4.020 1.00 0.00 N ATOM 185 CA LYS A 12 -12.656 1.012 4.862 1.00 0.00 C ATOM 186 C LYS A 12 -12.279 2.255 4.053 1.00 0.00 C ATOM 187 O LYS A 12 -11.575 2.157 3.049 1.00 0.00 O ATOM 188 CB LYS A 12 -11.842 0.843 6.146 1.00 0.00 C ATOM 189 CG LYS A 12 -12.708 1.093 7.382 1.00 0.00 C ATOM 190 CD LYS A 12 -12.495 2.508 7.923 1.00 0.00 C ATOM 191 CE LYS A 12 -13.116 2.662 9.313 1.00 0.00 C ATOM 192 NZ LYS A 12 -12.100 2.429 10.363 1.00 0.00 N ATOM 0 H LYS A 12 -11.688 -0.186 3.442 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.690 1.141 5.183 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.426 -0.164 6.187 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.001 1.536 6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -13.759 0.951 7.129 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.465 0.364 8.155 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.428 2.726 7.971 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -12.938 3.233 7.240 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.537 3.662 9.421 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -13.938 1.956 9.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -12.538 2.537 11.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.718 1.466 10.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.329 3.119 10.259 1.00 0.00 H new ATOM 205 N THR A 13 -12.765 3.396 4.521 1.00 0.00 N ATOM 206 CA THR A 13 -12.488 4.656 3.854 1.00 0.00 C ATOM 207 C THR A 13 -11.330 5.381 4.543 1.00 0.00 C ATOM 208 O THR A 13 -11.226 5.368 5.769 1.00 0.00 O ATOM 209 CB THR A 13 -13.783 5.470 3.825 1.00 0.00 C ATOM 210 OG1 THR A 13 -14.531 4.894 2.758 1.00 0.00 O ATOM 211 CG2 THR A 13 -13.556 6.917 3.382 1.00 0.00 C ATOM 0 H THR A 13 -13.349 3.473 5.354 1.00 0.00 H new ATOM 0 HA THR A 13 -12.164 4.496 2.826 1.00 0.00 H new ATOM 0 HB THR A 13 -14.239 5.461 4.815 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.388 5.361 2.670 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.507 7.450 3.379 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.868 7.405 4.073 1.00 0.00 H new ATOM 0 HG23 THR A 13 -13.131 6.928 2.378 1.00 0.00 H new ATOM 218 N CYS A 14 -10.489 5.997 3.726 1.00 0.00 N ATOM 219 CA CYS A 14 -9.343 6.726 4.241 1.00 0.00 C ATOM 220 C CYS A 14 -9.730 8.200 4.373 1.00 0.00 C ATOM 221 O CYS A 14 -9.987 8.870 3.373 1.00 0.00 O ATOM 222 CB CYS A 14 -8.108 6.537 3.357 1.00 0.00 C ATOM 223 SG CYS A 14 -7.954 4.879 2.598 1.00 0.00 S ATOM 0 H CYS A 14 -10.578 6.006 2.710 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.071 6.334 5.221 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.129 7.284 2.563 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.217 6.732 3.955 1.00 0.00 H new ATOM 228 N PRO A 15 -9.762 8.674 5.647 1.00 0.00 N ATOM 229 CA PRO A 15 -10.114 10.057 5.922 1.00 0.00 C ATOM 230 C PRO A 15 -8.962 10.998 5.564 1.00 0.00 C ATOM 231 O PRO A 15 -7.894 10.549 5.150 1.00 0.00 O ATOM 232 CB PRO A 15 -10.467 10.086 7.400 1.00 0.00 C ATOM 233 CG PRO A 15 -9.855 8.830 8.000 1.00 0.00 C ATOM 234 CD PRO A 15 -9.464 7.910 6.855 1.00 0.00 C ATOM 0 HA PRO A 15 -10.952 10.406 5.319 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -10.070 10.981 7.879 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -11.547 10.101 7.543 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -8.982 9.081 8.603 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -10.568 8.336 8.660 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -8.408 7.643 6.904 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -10.030 6.979 6.884 1.00 0.00 H new ATOM 242 N ALA A 16 -9.218 12.287 5.735 1.00 0.00 N ATOM 243 CA ALA A 16 -8.215 13.295 5.435 1.00 0.00 C ATOM 244 C ALA A 16 -6.861 12.840 5.982 1.00 0.00 C ATOM 245 O ALA A 16 -6.796 12.180 7.018 1.00 0.00 O ATOM 246 CB ALA A 16 -8.656 14.641 6.013 1.00 0.00 C ATOM 0 H ALA A 16 -10.105 12.656 6.077 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.108 13.422 4.358 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.904 15.397 5.788 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.608 14.933 5.570 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.771 14.553 7.093 1.00 0.00 H new ATOM 251 N GLY A 17 -5.813 13.211 5.261 1.00 0.00 N ATOM 252 CA GLY A 17 -4.464 12.849 5.661 1.00 0.00 C ATOM 253 C GLY A 17 -3.956 11.650 4.857 1.00 0.00 C ATOM 254 O GLY A 17 -2.792 11.610 4.463 1.00 0.00 O ATOM 0 H GLY A 17 -5.871 13.758 4.402 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.797 13.699 5.514 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.448 12.611 6.725 1.00 0.00 H new ATOM 258 N LYS A 18 -4.856 10.701 4.639 1.00 0.00 N ATOM 259 CA LYS A 18 -4.514 9.504 3.890 1.00 0.00 C ATOM 260 C LYS A 18 -5.536 9.299 2.771 1.00 0.00 C ATOM 261 O LYS A 18 -6.689 8.960 3.033 1.00 0.00 O ATOM 262 CB LYS A 18 -4.381 8.304 4.830 1.00 0.00 C ATOM 263 CG LYS A 18 -5.469 8.326 5.905 1.00 0.00 C ATOM 264 CD LYS A 18 -5.148 7.342 7.031 1.00 0.00 C ATOM 265 CE LYS A 18 -4.636 8.076 8.272 1.00 0.00 C ATOM 266 NZ LYS A 18 -3.157 8.045 8.320 1.00 0.00 N ATOM 0 H LYS A 18 -5.821 10.737 4.968 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.539 9.617 3.415 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.450 7.379 4.257 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.398 8.314 5.302 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -5.562 9.333 6.313 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.431 8.073 5.459 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -6.041 6.771 7.285 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.398 6.628 6.692 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.984 9.109 8.260 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -5.045 7.613 9.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.827 8.548 9.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.831 7.058 8.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.772 8.508 7.472 1.00 0.00 H new ATOM 279 N ASN A 19 -5.077 9.513 1.547 1.00 0.00 N ATOM 280 CA ASN A 19 -5.938 9.356 0.386 1.00 0.00 C ATOM 281 C ASN A 19 -5.304 8.354 -0.581 1.00 0.00 C ATOM 282 O ASN A 19 -5.845 8.096 -1.655 1.00 0.00 O ATOM 283 CB ASN A 19 -6.112 10.683 -0.354 1.00 0.00 C ATOM 284 CG ASN A 19 -7.308 11.464 0.193 1.00 0.00 C ATOM 285 OD1 ASN A 19 -7.616 11.430 1.373 1.00 0.00 O ATOM 286 ND2 ASN A 19 -7.962 12.167 -0.727 1.00 0.00 N ATOM 0 H ASN A 19 -4.120 9.794 1.333 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.911 9.006 0.732 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.206 11.281 -0.253 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.253 10.494 -1.418 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.775 12.722 -0.462 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.650 12.151 -1.698 1.00 0.00 H new ATOM 293 N LEU A 20 -4.166 7.817 -0.165 1.00 0.00 N ATOM 294 CA LEU A 20 -3.453 6.849 -0.981 1.00 0.00 C ATOM 295 C LEU A 20 -3.374 5.517 -0.233 1.00 0.00 C ATOM 296 O LEU A 20 -2.979 5.478 0.932 1.00 0.00 O ATOM 297 CB LEU A 20 -2.089 7.402 -1.399 1.00 0.00 C ATOM 298 CG LEU A 20 -2.107 8.740 -2.141 1.00 0.00 C ATOM 299 CD1 LEU A 20 -1.680 9.884 -1.218 1.00 0.00 C ATOM 300 CD2 LEU A 20 -1.251 8.677 -3.407 1.00 0.00 C ATOM 0 H LEU A 20 -3.720 8.034 0.726 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.993 6.662 -1.909 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.475 7.513 -0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.599 6.664 -2.033 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.131 8.943 -2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.701 10.824 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.365 9.944 -0.372 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.669 9.700 -0.854 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.281 9.641 -3.915 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.221 8.441 -3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.639 7.905 -4.071 1.00 0.00 H new ATOM 310 N CYS A 21 -3.754 4.458 -0.932 1.00 0.00 N ATOM 311 CA CYS A 21 -3.731 3.128 -0.349 1.00 0.00 C ATOM 312 C CYS A 21 -2.304 2.585 -0.447 1.00 0.00 C ATOM 313 O CYS A 21 -1.622 2.799 -1.449 1.00 0.00 O ATOM 314 CB CYS A 21 -4.743 2.197 -1.020 1.00 0.00 C ATOM 315 SG CYS A 21 -6.320 2.995 -1.496 1.00 0.00 S ATOM 0 H CYS A 21 -4.080 4.494 -1.898 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.027 3.183 0.699 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.286 1.768 -1.911 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.960 1.370 -0.343 1.00 0.00 H new ATOM 320 N TYR A 22 -1.894 1.892 0.606 1.00 0.00 N ATOM 321 CA TYR A 22 -0.561 1.317 0.650 1.00 0.00 C ATOM 322 C TYR A 22 -0.623 -0.193 0.885 1.00 0.00 C ATOM 323 O TYR A 22 -1.528 -0.684 1.558 1.00 0.00 O ATOM 324 CB TYR A 22 0.144 1.977 1.837 1.00 0.00 C ATOM 325 CG TYR A 22 -0.115 1.287 3.177 1.00 0.00 C ATOM 326 CD1 TYR A 22 0.552 0.120 3.492 1.00 0.00 C ATOM 327 CD2 TYR A 22 -1.015 1.830 4.071 1.00 0.00 C ATOM 328 CE1 TYR A 22 0.308 -0.530 4.754 1.00 0.00 C ATOM 329 CE2 TYR A 22 -1.259 1.179 5.332 1.00 0.00 C ATOM 330 CZ TYR A 22 -0.585 0.032 5.612 1.00 0.00 C ATOM 331 OH TYR A 22 -0.815 -0.583 6.803 1.00 0.00 O ATOM 0 H TYR A 22 -2.462 1.716 1.435 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.039 1.485 -0.292 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.217 1.989 1.648 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -0.179 3.016 1.906 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.256 -0.305 2.792 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.536 2.743 3.825 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.823 -1.443 5.013 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.962 1.593 6.040 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.475 -0.070 7.314 1.00 0.00 H new ATOM 341 N LYS A 23 0.352 -0.889 0.318 1.00 0.00 N ATOM 342 CA LYS A 23 0.420 -2.334 0.457 1.00 0.00 C ATOM 343 C LYS A 23 1.865 -2.747 0.742 1.00 0.00 C ATOM 344 O LYS A 23 2.765 -2.447 -0.041 1.00 0.00 O ATOM 345 CB LYS A 23 -0.186 -3.019 -0.769 1.00 0.00 C ATOM 346 CG LYS A 23 0.845 -3.145 -1.892 1.00 0.00 C ATOM 347 CD LYS A 23 0.254 -3.874 -3.101 1.00 0.00 C ATOM 348 CE LYS A 23 0.419 -3.045 -4.376 1.00 0.00 C ATOM 349 NZ LYS A 23 1.324 -3.729 -5.326 1.00 0.00 N ATOM 0 H LYS A 23 1.102 -0.479 -0.239 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.179 -2.664 1.306 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.552 -4.008 -0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.045 -2.448 -1.121 1.00 0.00 H new ATOM 0 HG2 LYS A 23 1.185 -2.153 -2.191 1.00 0.00 H new ATOM 0 HG3 LYS A 23 1.719 -3.685 -1.529 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.746 -4.839 -3.224 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.803 -4.075 -2.928 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.554 -2.886 -4.842 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.818 -2.062 -4.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.425 -3.153 -6.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 2.257 -3.859 -4.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.927 -4.657 -5.576 1.00 0.00 H new ATOM 362 N MET A 24 2.042 -3.429 1.864 1.00 0.00 N ATOM 363 CA MET A 24 3.362 -3.887 2.262 1.00 0.00 C ATOM 364 C MET A 24 3.463 -5.411 2.175 1.00 0.00 C ATOM 365 O MET A 24 2.688 -6.125 2.810 1.00 0.00 O ATOM 366 CB MET A 24 3.649 -3.436 3.695 1.00 0.00 C ATOM 367 CG MET A 24 3.797 -1.915 3.773 1.00 0.00 C ATOM 368 SD MET A 24 4.783 -1.470 5.192 1.00 0.00 S ATOM 369 CE MET A 24 3.492 -1.007 6.334 1.00 0.00 C ATOM 0 H MET A 24 1.292 -3.676 2.510 1.00 0.00 H new ATOM 0 HA MET A 24 4.096 -3.454 1.583 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.841 -3.760 4.351 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.561 -3.912 4.054 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.265 -1.540 2.863 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.814 -1.449 3.842 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.933 -0.750 7.297 1.00 0.00 H new ATOM 0 HE2 MET A 24 2.951 -0.146 5.942 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.802 -1.842 6.461 1.00 0.00 H new ATOM 378 N PHE A 25 4.425 -5.865 1.385 1.00 0.00 N ATOM 379 CA PHE A 25 4.637 -7.291 1.208 1.00 0.00 C ATOM 380 C PHE A 25 6.126 -7.609 1.056 1.00 0.00 C ATOM 381 O PHE A 25 6.933 -6.714 0.808 1.00 0.00 O ATOM 382 CB PHE A 25 3.908 -7.696 -0.075 1.00 0.00 C ATOM 383 CG PHE A 25 4.499 -7.084 -1.347 1.00 0.00 C ATOM 384 CD1 PHE A 25 5.639 -7.597 -1.882 1.00 0.00 C ATOM 385 CD2 PHE A 25 3.885 -6.026 -1.942 1.00 0.00 C ATOM 386 CE1 PHE A 25 6.188 -7.029 -3.062 1.00 0.00 C ATOM 387 CE2 PHE A 25 4.434 -5.458 -3.122 1.00 0.00 C ATOM 388 CZ PHE A 25 5.573 -5.972 -3.657 1.00 0.00 C ATOM 0 H PHE A 25 5.066 -5.270 0.860 1.00 0.00 H new ATOM 0 HA PHE A 25 4.264 -7.833 2.077 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.927 -8.782 -0.164 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.862 -7.401 0.005 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.127 -8.437 -1.409 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.980 -5.618 -1.517 1.00 0.00 H new ATOM 0 HE1 PHE A 25 7.094 -7.436 -3.487 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.947 -4.618 -3.594 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.990 -5.541 -4.555 1.00 0.00 H new ATOM 398 N MET A 26 6.445 -8.885 1.211 1.00 0.00 N ATOM 399 CA MET A 26 7.822 -9.333 1.094 1.00 0.00 C ATOM 400 C MET A 26 8.141 -9.757 -0.341 1.00 0.00 C ATOM 401 O MET A 26 7.279 -10.284 -1.042 1.00 0.00 O ATOM 402 CB MET A 26 8.059 -10.512 2.039 1.00 0.00 C ATOM 403 CG MET A 26 8.039 -10.056 3.500 1.00 0.00 C ATOM 404 SD MET A 26 7.681 -11.442 4.567 1.00 0.00 S ATOM 405 CE MET A 26 5.905 -11.295 4.680 1.00 0.00 C ATOM 0 H MET A 26 5.773 -9.624 1.417 1.00 0.00 H new ATOM 0 HA MET A 26 8.477 -8.504 1.362 1.00 0.00 H new ATOM 0 HB2 MET A 26 7.292 -11.270 1.880 1.00 0.00 H new ATOM 0 HB3 MET A 26 9.018 -10.977 1.813 1.00 0.00 H new ATOM 0 HG2 MET A 26 9.002 -9.620 3.767 1.00 0.00 H new ATOM 0 HG3 MET A 26 7.288 -9.278 3.637 1.00 0.00 H new ATOM 0 HE1 MET A 26 5.466 -12.283 4.822 1.00 0.00 H new ATOM 0 HE2 MET A 26 5.646 -10.658 5.526 1.00 0.00 H new ATOM 0 HE3 MET A 26 5.517 -10.854 3.762 1.00 0.00 H new ATOM 414 N VAL A 27 9.382 -9.510 -0.735 1.00 0.00 N ATOM 415 CA VAL A 27 9.825 -9.860 -2.074 1.00 0.00 C ATOM 416 C VAL A 27 9.652 -11.365 -2.287 1.00 0.00 C ATOM 417 O VAL A 27 9.700 -11.845 -3.419 1.00 0.00 O ATOM 418 CB VAL A 27 11.265 -9.388 -2.289 1.00 0.00 C ATOM 419 CG1 VAL A 27 12.239 -10.185 -1.419 1.00 0.00 C ATOM 420 CG2 VAL A 27 11.655 -9.471 -3.766 1.00 0.00 C ATOM 0 H VAL A 27 10.094 -9.072 -0.151 1.00 0.00 H new ATOM 0 HA VAL A 27 9.215 -9.353 -2.822 1.00 0.00 H new ATOM 0 HB VAL A 27 11.323 -8.343 -1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.255 -9.830 -1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.981 -10.052 -0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.176 -11.242 -1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.683 -9.130 -3.891 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.571 -10.503 -4.107 1.00 0.00 H new ATOM 0 HG23 VAL A 27 10.989 -8.839 -4.354 1.00 0.00 H new ATOM 428 N ALA A 28 9.454 -12.068 -1.182 1.00 0.00 N ATOM 429 CA ALA A 28 9.273 -13.509 -1.233 1.00 0.00 C ATOM 430 C ALA A 28 8.471 -13.873 -2.485 1.00 0.00 C ATOM 431 O ALA A 28 8.805 -14.828 -3.184 1.00 0.00 O ATOM 432 CB ALA A 28 8.594 -13.985 0.053 1.00 0.00 C ATOM 0 H ALA A 28 9.415 -11.666 -0.245 1.00 0.00 H new ATOM 0 HA ALA A 28 10.236 -14.015 -1.299 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.458 -15.066 0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.217 -13.728 0.910 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.622 -13.501 0.152 1.00 0.00 H new ATOM 437 N ALA A 29 7.428 -13.093 -2.728 1.00 0.00 N ATOM 438 CA ALA A 29 6.576 -13.322 -3.883 1.00 0.00 C ATOM 439 C ALA A 29 5.958 -11.994 -4.326 1.00 0.00 C ATOM 440 O ALA A 29 5.772 -11.090 -3.514 1.00 0.00 O ATOM 441 CB ALA A 29 5.518 -14.371 -3.537 1.00 0.00 C ATOM 0 H ALA A 29 7.154 -12.302 -2.145 1.00 0.00 H new ATOM 0 HA ALA A 29 7.158 -13.710 -4.719 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.879 -14.543 -4.403 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.008 -15.303 -3.257 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.912 -14.015 -2.704 1.00 0.00 H new ATOM 446 N PRO A 30 5.650 -11.917 -5.649 1.00 0.00 N ATOM 447 CA PRO A 30 5.056 -10.715 -6.210 1.00 0.00 C ATOM 448 C PRO A 30 3.580 -10.600 -5.823 1.00 0.00 C ATOM 449 O PRO A 30 2.932 -9.599 -6.125 1.00 0.00 O ATOM 450 CB PRO A 30 5.270 -10.834 -7.710 1.00 0.00 C ATOM 451 CG PRO A 30 5.556 -12.304 -7.975 1.00 0.00 C ATOM 452 CD PRO A 30 5.857 -12.968 -6.641 1.00 0.00 C ATOM 0 HA PRO A 30 5.512 -9.802 -5.827 1.00 0.00 H new ATOM 0 HB2 PRO A 30 4.388 -10.503 -8.258 1.00 0.00 H new ATOM 0 HB3 PRO A 30 6.101 -10.209 -8.037 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.700 -12.779 -8.453 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.401 -12.412 -8.655 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.196 -13.816 -6.463 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.878 -13.347 -6.609 1.00 0.00 H new ATOM 460 N HIS A 31 3.093 -11.639 -5.161 1.00 0.00 N ATOM 461 CA HIS A 31 1.705 -11.667 -4.730 1.00 0.00 C ATOM 462 C HIS A 31 1.605 -12.356 -3.367 1.00 0.00 C ATOM 463 O HIS A 31 1.084 -13.465 -3.265 1.00 0.00 O ATOM 464 CB HIS A 31 0.820 -12.323 -5.792 1.00 0.00 C ATOM 465 CG HIS A 31 -0.544 -11.688 -5.931 1.00 0.00 C ATOM 466 ND1 HIS A 31 -0.756 -10.329 -5.784 1.00 0.00 N ATOM 467 CD2 HIS A 31 -1.760 -12.241 -6.206 1.00 0.00 C ATOM 468 CE1 HIS A 31 -2.046 -10.086 -5.964 1.00 0.00 C ATOM 469 NE2 HIS A 31 -2.667 -11.272 -6.225 1.00 0.00 N ATOM 0 H HIS A 31 3.634 -12.467 -4.913 1.00 0.00 H new ATOM 0 HA HIS A 31 1.336 -10.648 -4.611 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.330 -12.278 -6.754 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.695 -13.378 -5.546 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.952 -13.290 -6.379 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -2.522 -9.118 -5.913 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -3.664 -11.394 -6.405 1.00 0.00 H new ATOM 477 N VAL A 32 2.113 -11.669 -2.355 1.00 0.00 N ATOM 478 CA VAL A 32 2.088 -12.200 -1.002 1.00 0.00 C ATOM 479 C VAL A 32 2.176 -11.045 -0.003 1.00 0.00 C ATOM 480 O VAL A 32 3.249 -10.756 0.524 1.00 0.00 O ATOM 481 CB VAL A 32 3.204 -13.231 -0.824 1.00 0.00 C ATOM 482 CG1 VAL A 32 3.353 -13.629 0.646 1.00 0.00 C ATOM 483 CG2 VAL A 32 2.960 -14.460 -1.702 1.00 0.00 C ATOM 0 H VAL A 32 2.545 -10.749 -2.444 1.00 0.00 H new ATOM 0 HA VAL A 32 1.149 -12.721 -0.814 1.00 0.00 H new ATOM 0 HB VAL A 32 4.139 -12.771 -1.143 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.153 -14.363 0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.594 -12.747 1.239 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.418 -14.061 1.003 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.768 -15.177 -1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.011 -14.921 -1.427 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.927 -14.158 -2.749 1.00 0.00 H new ATOM 491 N PRO A 33 1.003 -10.398 0.233 1.00 0.00 N ATOM 492 CA PRO A 33 0.938 -9.280 1.159 1.00 0.00 C ATOM 493 C PRO A 33 1.002 -9.766 2.609 1.00 0.00 C ATOM 494 O PRO A 33 0.604 -10.890 2.909 1.00 0.00 O ATOM 495 CB PRO A 33 -0.364 -8.570 0.828 1.00 0.00 C ATOM 496 CG PRO A 33 -1.200 -9.574 0.050 1.00 0.00 C ATOM 497 CD PRO A 33 -0.287 -10.712 -0.374 1.00 0.00 C ATOM 0 HA PRO A 33 1.784 -8.600 1.058 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.878 -8.254 1.736 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.180 -7.673 0.237 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.017 -9.949 0.666 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.651 -9.101 -0.822 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -0.665 -11.673 -0.026 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.209 -10.774 -1.459 1.00 0.00 H new ATOM 505 N VAL A 34 1.505 -8.893 3.470 1.00 0.00 N ATOM 506 CA VAL A 34 1.626 -9.219 4.880 1.00 0.00 C ATOM 507 C VAL A 34 0.729 -8.284 5.694 1.00 0.00 C ATOM 508 O VAL A 34 0.107 -8.706 6.667 1.00 0.00 O ATOM 509 CB VAL A 34 3.094 -9.159 5.307 1.00 0.00 C ATOM 510 CG1 VAL A 34 3.669 -7.756 5.102 1.00 0.00 C ATOM 511 CG2 VAL A 34 3.263 -9.614 6.758 1.00 0.00 C ATOM 0 H VAL A 34 1.833 -7.961 3.218 1.00 0.00 H new ATOM 0 HA VAL A 34 1.288 -10.238 5.066 1.00 0.00 H new ATOM 0 HB VAL A 34 3.654 -9.846 4.673 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.713 -7.742 5.414 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.601 -7.485 4.048 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.103 -7.040 5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.316 -9.562 7.035 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.682 -8.964 7.413 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.911 -10.641 6.861 1.00 0.00 H new ATOM 519 N LYS A 35 0.691 -7.030 5.265 1.00 0.00 N ATOM 520 CA LYS A 35 -0.119 -6.032 5.941 1.00 0.00 C ATOM 521 C LYS A 35 -0.366 -4.856 4.995 1.00 0.00 C ATOM 522 O LYS A 35 0.504 -4.497 4.203 1.00 0.00 O ATOM 523 CB LYS A 35 0.525 -5.629 7.269 1.00 0.00 C ATOM 524 CG LYS A 35 -0.427 -4.768 8.101 1.00 0.00 C ATOM 525 CD LYS A 35 0.335 -3.671 8.848 1.00 0.00 C ATOM 526 CE LYS A 35 1.027 -4.233 10.091 1.00 0.00 C ATOM 527 NZ LYS A 35 0.775 -3.364 11.262 1.00 0.00 N ATOM 0 H LYS A 35 1.209 -6.683 4.457 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.095 -6.444 6.199 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.798 -6.522 7.831 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.446 -5.078 7.078 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.177 -4.317 7.451 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.960 -5.396 8.815 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.076 -3.223 8.186 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.354 -2.878 9.138 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.663 -5.240 10.293 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.100 -4.312 9.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.252 -3.760 12.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.144 -2.410 11.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.248 -3.310 11.441 1.00 0.00 H new ATOM 540 N ARG A 36 -1.557 -4.259 5.081 1.00 0.00 N ATOM 541 CA ARG A 36 -1.912 -3.135 4.239 1.00 0.00 C ATOM 542 C ARG A 36 -2.783 -2.160 5.020 1.00 0.00 C ATOM 543 O ARG A 36 -3.202 -2.457 6.137 1.00 0.00 O ATOM 544 CB ARG A 36 -2.646 -3.640 3.000 1.00 0.00 C ATOM 545 CG ARG A 36 -1.653 -4.328 2.067 1.00 0.00 C ATOM 546 CD ARG A 36 -2.014 -5.806 1.941 1.00 0.00 C ATOM 547 NE ARG A 36 -3.222 -5.985 1.135 1.00 0.00 N ATOM 548 CZ ARG A 36 -3.895 -7.142 1.083 1.00 0.00 C ATOM 549 NH1 ARG A 36 -3.468 -8.197 1.790 1.00 0.00 N ATOM 550 NH2 ARG A 36 -4.995 -7.244 0.325 1.00 0.00 N ATOM 0 H ARG A 36 -2.289 -4.544 5.732 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.009 -2.613 3.923 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.433 -4.337 3.289 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.129 -2.809 2.486 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -1.670 -3.853 1.086 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.640 -4.222 2.455 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -1.185 -6.349 1.486 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.168 -6.232 2.932 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.566 -5.195 0.589 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -2.631 -8.119 2.367 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.980 -9.078 1.751 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -5.320 -6.441 -0.213 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.507 -8.125 0.286 1.00 0.00 H new ATOM 564 N GLY A 37 -3.032 -1.013 4.405 1.00 0.00 N ATOM 565 CA GLY A 37 -3.849 0.010 5.033 1.00 0.00 C ATOM 566 C GLY A 37 -3.792 1.319 4.243 1.00 0.00 C ATOM 567 O GLY A 37 -3.344 1.338 3.098 1.00 0.00 O ATOM 0 H GLY A 37 -2.682 -0.770 3.478 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.881 -0.334 5.100 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.504 0.181 6.053 1.00 0.00 H new ATOM 571 N CYS A 38 -4.252 2.382 4.887 1.00 0.00 N ATOM 572 CA CYS A 38 -4.259 3.693 4.258 1.00 0.00 C ATOM 573 C CYS A 38 -3.024 4.460 4.735 1.00 0.00 C ATOM 574 O CYS A 38 -2.473 4.161 5.793 1.00 0.00 O ATOM 575 CB CYS A 38 -5.553 4.454 4.552 1.00 0.00 C ATOM 576 SG CYS A 38 -7.066 3.690 3.862 1.00 0.00 S ATOM 0 H CYS A 38 -4.622 2.363 5.837 1.00 0.00 H new ATOM 0 HA CYS A 38 -4.220 3.581 3.175 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.668 4.543 5.632 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.461 5.466 4.157 1.00 0.00 H new ATOM 581 N ILE A 39 -2.627 5.436 3.931 1.00 0.00 N ATOM 582 CA ILE A 39 -1.467 6.249 4.258 1.00 0.00 C ATOM 583 C ILE A 39 -1.474 7.510 3.391 1.00 0.00 C ATOM 584 O ILE A 39 -2.389 7.715 2.595 1.00 0.00 O ATOM 585 CB ILE A 39 -0.184 5.425 4.136 1.00 0.00 C ATOM 586 CG1 ILE A 39 0.839 5.843 5.195 1.00 0.00 C ATOM 587 CG2 ILE A 39 0.390 5.511 2.720 1.00 0.00 C ATOM 588 CD1 ILE A 39 1.304 4.637 6.013 1.00 0.00 C ATOM 0 H ILE A 39 -3.087 5.682 3.055 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.510 6.576 5.297 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.431 4.380 4.321 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.696 6.312 4.712 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.399 6.588 5.857 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.302 4.917 2.660 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.340 5.128 2.007 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.618 6.550 2.482 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.030 4.961 6.758 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.448 4.185 6.513 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.766 3.904 5.351 1.00 0.00 H new ATOM 598 N ASP A 40 -0.450 8.350 3.551 1.00 0.00 N ATOM 599 CA ASP A 40 -0.343 9.579 2.790 1.00 0.00 C ATOM 600 C ASP A 40 0.787 9.460 1.778 1.00 0.00 C ATOM 601 O ASP A 40 0.608 9.783 0.605 1.00 0.00 O ATOM 602 CB ASP A 40 -0.096 10.746 3.742 1.00 0.00 C ATOM 603 CG ASP A 40 -0.201 12.076 3.010 1.00 0.00 C ATOM 604 OD1 ASP A 40 0.307 13.073 3.568 1.00 0.00 O ATOM 605 OD2 ASP A 40 -0.788 12.072 1.907 1.00 0.00 O ATOM 0 H ASP A 40 0.316 8.193 4.206 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.272 9.760 2.249 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.820 10.716 4.556 1.00 0.00 H new ATOM 0 HB3 ASP A 40 0.892 10.651 4.192 1.00 0.00 H new ATOM 611 N VAL A 41 1.930 8.997 2.264 1.00 0.00 N ATOM 612 CA VAL A 41 3.093 8.832 1.410 1.00 0.00 C ATOM 613 C VAL A 41 3.571 7.380 1.480 1.00 0.00 C ATOM 614 O VAL A 41 3.294 6.678 2.452 1.00 0.00 O ATOM 615 CB VAL A 41 4.178 9.837 1.802 1.00 0.00 C ATOM 616 CG1 VAL A 41 5.500 9.520 1.101 1.00 0.00 C ATOM 617 CG2 VAL A 41 3.730 11.270 1.505 1.00 0.00 C ATOM 0 H VAL A 41 2.075 8.731 3.238 1.00 0.00 H new ATOM 0 HA VAL A 41 2.835 9.040 0.372 1.00 0.00 H new ATOM 0 HB VAL A 41 4.341 9.752 2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.253 10.250 1.398 1.00 0.00 H new ATOM 0 HG12 VAL A 41 5.831 8.521 1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.359 9.563 0.021 1.00 0.00 H new ATOM 0 HG21 VAL A 41 4.519 11.965 1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.526 11.374 0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.826 11.493 2.071 1.00 0.00 H new ATOM 625 N CYS A 42 4.281 6.972 0.438 1.00 0.00 N ATOM 626 CA CYS A 42 4.800 5.617 0.370 1.00 0.00 C ATOM 627 C CYS A 42 6.215 5.614 0.950 1.00 0.00 C ATOM 628 O CYS A 42 7.001 6.523 0.684 1.00 0.00 O ATOM 629 CB CYS A 42 4.767 5.070 -1.059 1.00 0.00 C ATOM 630 SG CYS A 42 3.999 3.418 -1.231 1.00 0.00 S ATOM 0 H CYS A 42 4.509 7.557 -0.366 1.00 0.00 H new ATOM 0 HA CYS A 42 4.167 4.953 0.958 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.225 5.774 -1.690 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.788 5.022 -1.438 1.00 0.00 H new ATOM 635 N PRO A 43 6.505 4.556 1.754 1.00 0.00 N ATOM 636 CA PRO A 43 7.812 4.423 2.374 1.00 0.00 C ATOM 637 C PRO A 43 8.861 3.980 1.353 1.00 0.00 C ATOM 638 O PRO A 43 8.519 3.452 0.296 1.00 0.00 O ATOM 639 CB PRO A 43 7.615 3.419 3.497 1.00 0.00 C ATOM 640 CG PRO A 43 6.326 2.680 3.174 1.00 0.00 C ATOM 641 CD PRO A 43 5.600 3.462 2.092 1.00 0.00 C ATOM 0 HA PRO A 43 8.190 5.368 2.765 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.457 2.729 3.556 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.546 3.921 4.462 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.542 1.667 2.834 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.703 2.591 4.064 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.393 2.837 1.223 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.642 3.837 2.450 1.00 0.00 H new ATOM 649 N LYS A 44 10.118 4.210 1.704 1.00 0.00 N ATOM 650 CA LYS A 44 11.219 3.841 0.831 1.00 0.00 C ATOM 651 C LYS A 44 11.171 2.335 0.567 1.00 0.00 C ATOM 652 O LYS A 44 10.922 1.548 1.479 1.00 0.00 O ATOM 653 CB LYS A 44 12.550 4.321 1.415 1.00 0.00 C ATOM 654 CG LYS A 44 13.727 3.844 0.561 1.00 0.00 C ATOM 655 CD LYS A 44 14.481 5.029 -0.043 1.00 0.00 C ATOM 656 CE LYS A 44 15.438 4.566 -1.144 1.00 0.00 C ATOM 657 NZ LYS A 44 16.839 4.864 -0.772 1.00 0.00 N ATOM 0 H LYS A 44 10.398 4.648 2.582 1.00 0.00 H new ATOM 0 HA LYS A 44 11.123 4.338 -0.134 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.555 5.410 1.472 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.660 3.948 2.433 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.406 3.249 1.171 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.363 3.195 -0.236 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.770 5.747 -0.452 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.041 5.544 0.737 1.00 0.00 H new ATOM 0 HE2 LYS A 44 15.320 3.495 -1.310 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.191 5.064 -2.082 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.475 4.543 -1.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.952 5.889 -0.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 17.076 4.369 0.112 1.00 0.00 H new ATOM 670 N SER A 45 11.415 1.978 -0.686 1.00 0.00 N ATOM 671 CA SER A 45 11.403 0.580 -1.082 1.00 0.00 C ATOM 672 C SER A 45 12.802 -0.019 -0.928 1.00 0.00 C ATOM 673 O SER A 45 13.778 0.537 -1.429 1.00 0.00 O ATOM 674 CB SER A 45 10.912 0.420 -2.522 1.00 0.00 C ATOM 675 OG SER A 45 9.528 0.088 -2.580 1.00 0.00 O ATOM 0 H SER A 45 11.622 2.633 -1.440 1.00 0.00 H new ATOM 0 HA SER A 45 10.712 0.045 -0.430 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.086 1.346 -3.069 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.492 -0.357 -3.019 1.00 0.00 H new ATOM 0 HG SER A 45 9.253 -0.004 -3.516 1.00 0.00 H new ATOM 681 N SER A 46 12.856 -1.146 -0.233 1.00 0.00 N ATOM 682 CA SER A 46 14.119 -1.827 -0.007 1.00 0.00 C ATOM 683 C SER A 46 14.164 -3.127 -0.812 1.00 0.00 C ATOM 684 O SER A 46 13.180 -3.503 -1.445 1.00 0.00 O ATOM 685 CB SER A 46 14.330 -2.116 1.481 1.00 0.00 C ATOM 686 OG SER A 46 13.417 -3.096 1.969 1.00 0.00 O ATOM 0 H SER A 46 12.044 -1.605 0.181 1.00 0.00 H new ATOM 0 HA SER A 46 14.925 -1.173 -0.340 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.352 -2.460 1.642 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.211 -1.194 2.050 1.00 0.00 H new ATOM 0 HG SER A 46 12.550 -2.985 1.525 1.00 0.00 H new ATOM 692 N LEU A 47 15.318 -3.776 -0.763 1.00 0.00 N ATOM 693 CA LEU A 47 15.505 -5.026 -1.480 1.00 0.00 C ATOM 694 C LEU A 47 14.736 -6.139 -0.765 1.00 0.00 C ATOM 695 O LEU A 47 13.998 -6.893 -1.397 1.00 0.00 O ATOM 696 CB LEU A 47 16.995 -5.324 -1.658 1.00 0.00 C ATOM 697 CG LEU A 47 17.688 -4.607 -2.818 1.00 0.00 C ATOM 698 CD1 LEU A 47 19.207 -4.774 -2.736 1.00 0.00 C ATOM 699 CD2 LEU A 47 17.132 -5.077 -4.164 1.00 0.00 C ATOM 0 H LEU A 47 16.133 -3.460 -0.238 1.00 0.00 H new ATOM 0 HA LEU A 47 15.096 -4.952 -2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 47 17.511 -5.061 -0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 47 17.116 -6.398 -1.796 1.00 0.00 H new ATOM 0 HG LEU A 47 17.476 -3.541 -2.736 1.00 0.00 H new ATOM 0 HD11 LEU A 47 19.676 -4.255 -3.572 1.00 0.00 H new ATOM 0 HD12 LEU A 47 19.569 -4.353 -1.798 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.459 -5.833 -2.779 1.00 0.00 H new ATOM 0 HD21 LEU A 47 17.642 -4.552 -4.972 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.294 -6.150 -4.270 1.00 0.00 H new ATOM 0 HD23 LEU A 47 16.064 -4.865 -4.211 1.00 0.00 H new ATOM 709 N LEU A 48 14.936 -6.207 0.543 1.00 0.00 N ATOM 710 CA LEU A 48 14.271 -7.215 1.350 1.00 0.00 C ATOM 711 C LEU A 48 12.758 -7.109 1.147 1.00 0.00 C ATOM 712 O LEU A 48 12.139 -8.008 0.580 1.00 0.00 O ATOM 713 CB LEU A 48 14.704 -7.101 2.813 1.00 0.00 C ATOM 714 CG LEU A 48 14.206 -8.206 3.748 1.00 0.00 C ATOM 715 CD1 LEU A 48 15.297 -9.250 3.993 1.00 0.00 C ATOM 716 CD2 LEU A 48 13.672 -7.618 5.056 1.00 0.00 C ATOM 0 H LEU A 48 15.549 -5.580 1.064 1.00 0.00 H new ATOM 0 HA LEU A 48 14.567 -8.214 1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.793 -7.086 2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.359 -6.142 3.200 1.00 0.00 H new ATOM 0 HG LEU A 48 13.375 -8.716 3.261 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.917 -10.024 4.660 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.589 -9.701 3.044 1.00 0.00 H new ATOM 0 HD13 LEU A 48 16.163 -8.771 4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.325 -8.424 5.702 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.467 -7.067 5.559 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.844 -6.943 4.840 1.00 0.00 H new ATOM 726 N VAL A 49 12.206 -6.001 1.620 1.00 0.00 N ATOM 727 CA VAL A 49 10.777 -5.766 1.497 1.00 0.00 C ATOM 728 C VAL A 49 10.537 -4.617 0.516 1.00 0.00 C ATOM 729 O VAL A 49 11.343 -3.692 0.428 1.00 0.00 O ATOM 730 CB VAL A 49 10.168 -5.510 2.878 1.00 0.00 C ATOM 731 CG1 VAL A 49 10.226 -6.769 3.744 1.00 0.00 C ATOM 732 CG2 VAL A 49 10.859 -4.334 3.572 1.00 0.00 C ATOM 0 H VAL A 49 12.722 -5.257 2.089 1.00 0.00 H new ATOM 0 HA VAL A 49 10.278 -6.647 1.095 1.00 0.00 H new ATOM 0 HB VAL A 49 9.119 -5.247 2.739 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.787 -6.560 4.720 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.668 -7.570 3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.264 -7.075 3.871 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.408 -4.173 4.551 1.00 0.00 H new ATOM 0 HG22 VAL A 49 11.919 -4.555 3.693 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.743 -3.435 2.967 1.00 0.00 H new ATOM 740 N LYS A 50 9.425 -4.714 -0.198 1.00 0.00 N ATOM 741 CA LYS A 50 9.068 -3.695 -1.170 1.00 0.00 C ATOM 742 C LYS A 50 7.622 -3.255 -0.934 1.00 0.00 C ATOM 743 O LYS A 50 6.782 -4.060 -0.535 1.00 0.00 O ATOM 744 CB LYS A 50 9.335 -4.194 -2.592 1.00 0.00 C ATOM 745 CG LYS A 50 10.350 -3.298 -3.305 1.00 0.00 C ATOM 746 CD LYS A 50 10.720 -3.872 -4.674 1.00 0.00 C ATOM 747 CE LYS A 50 10.646 -2.796 -5.759 1.00 0.00 C ATOM 748 NZ LYS A 50 9.237 -2.435 -6.036 1.00 0.00 N ATOM 0 H LYS A 50 8.759 -5.483 -0.123 1.00 0.00 H new ATOM 0 HA LYS A 50 9.695 -2.812 -1.044 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.708 -5.217 -2.558 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.402 -4.213 -3.156 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.935 -2.297 -3.426 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.247 -3.200 -2.693 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.727 -4.288 -4.638 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.046 -4.691 -4.923 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.198 -1.912 -5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.121 -3.158 -6.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.185 -1.891 -6.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.668 -3.301 -6.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.866 -1.859 -5.254 1.00 0.00 H new ATOM 761 N TYR A 51 7.376 -1.979 -1.191 1.00 0.00 N ATOM 762 CA TYR A 51 6.045 -1.422 -1.011 1.00 0.00 C ATOM 763 C TYR A 51 5.578 -0.700 -2.277 1.00 0.00 C ATOM 764 O TYR A 51 6.393 -0.319 -3.115 1.00 0.00 O ATOM 765 CB TYR A 51 6.163 -0.407 0.127 1.00 0.00 C ATOM 766 CG TYR A 51 7.126 -0.827 1.239 1.00 0.00 C ATOM 767 CD1 TYR A 51 7.018 -2.080 1.808 1.00 0.00 C ATOM 768 CD2 TYR A 51 8.103 0.046 1.673 1.00 0.00 C ATOM 769 CE1 TYR A 51 7.925 -2.475 2.855 1.00 0.00 C ATOM 770 CE2 TYR A 51 9.009 -0.350 2.719 1.00 0.00 C ATOM 771 CZ TYR A 51 8.876 -1.591 3.259 1.00 0.00 C ATOM 772 OH TYR A 51 9.732 -1.965 4.247 1.00 0.00 O ATOM 0 H TYR A 51 8.075 -1.314 -1.522 1.00 0.00 H new ATOM 0 HA TYR A 51 5.324 -2.211 -0.794 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.493 0.547 -0.284 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.175 -0.244 0.558 1.00 0.00 H new ATOM 0 HD1 TYR A 51 6.254 -2.764 1.468 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.188 1.026 1.228 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.851 -3.452 3.309 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.778 0.324 3.067 1.00 0.00 H new ATOM 0 HH TYR A 51 10.358 -1.234 4.432 1.00 0.00 H new ATOM 782 N VAL A 52 4.267 -0.535 -2.374 1.00 0.00 N ATOM 783 CA VAL A 52 3.681 0.135 -3.523 1.00 0.00 C ATOM 784 C VAL A 52 2.401 0.854 -3.091 1.00 0.00 C ATOM 785 O VAL A 52 1.622 0.321 -2.303 1.00 0.00 O ATOM 786 CB VAL A 52 3.450 -0.871 -4.653 1.00 0.00 C ATOM 787 CG1 VAL A 52 2.567 -0.270 -5.749 1.00 0.00 C ATOM 788 CG2 VAL A 52 4.778 -1.364 -5.228 1.00 0.00 C ATOM 0 H VAL A 52 3.594 -0.853 -1.676 1.00 0.00 H new ATOM 0 HA VAL A 52 4.362 0.891 -3.913 1.00 0.00 H new ATOM 0 HB VAL A 52 2.927 -1.731 -4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.418 -1.005 -6.540 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.602 0.009 -5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.051 0.615 -6.162 1.00 0.00 H new ATOM 0 HG21 VAL A 52 4.585 -2.078 -6.029 1.00 0.00 H new ATOM 0 HG22 VAL A 52 5.340 -0.518 -5.623 1.00 0.00 H new ATOM 0 HG23 VAL A 52 5.357 -1.849 -4.442 1.00 0.00 H new ATOM 796 N CYS A 53 2.225 2.053 -3.627 1.00 0.00 N ATOM 797 CA CYS A 53 1.053 2.850 -3.307 1.00 0.00 C ATOM 798 C CYS A 53 0.280 3.110 -4.601 1.00 0.00 C ATOM 799 O CYS A 53 0.784 2.849 -5.692 1.00 0.00 O ATOM 800 CB CYS A 53 1.431 4.152 -2.597 1.00 0.00 C ATOM 801 SG CYS A 53 1.997 3.948 -0.869 1.00 0.00 S ATOM 0 H CYS A 53 2.874 2.492 -4.280 1.00 0.00 H new ATOM 0 HA CYS A 53 0.418 2.303 -2.610 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.219 4.644 -3.167 1.00 0.00 H new ATOM 0 HB3 CYS A 53 0.568 4.818 -2.606 1.00 0.00 H new ATOM 806 N CYS A 54 -0.932 3.620 -4.437 1.00 0.00 N ATOM 807 CA CYS A 54 -1.779 3.917 -5.579 1.00 0.00 C ATOM 808 C CYS A 54 -3.006 4.684 -5.081 1.00 0.00 C ATOM 809 O CYS A 54 -3.517 4.407 -3.997 1.00 0.00 O ATOM 810 CB CYS A 54 -2.170 2.648 -6.340 1.00 0.00 C ATOM 811 SG CYS A 54 -2.105 1.110 -5.351 1.00 0.00 S ATOM 0 H CYS A 54 -1.347 3.835 -3.530 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.230 4.534 -6.291 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.181 2.771 -6.729 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.509 2.539 -7.200 1.00 0.00 H new ATOM 816 N ASN A 55 -3.443 5.633 -5.896 1.00 0.00 N ATOM 817 CA ASN A 55 -4.599 6.441 -5.551 1.00 0.00 C ATOM 818 C ASN A 55 -5.809 5.963 -6.356 1.00 0.00 C ATOM 819 O ASN A 55 -6.366 6.717 -7.153 1.00 0.00 O ATOM 820 CB ASN A 55 -4.361 7.915 -5.886 1.00 0.00 C ATOM 821 CG ASN A 55 -3.801 8.072 -7.301 1.00 0.00 C ATOM 822 OD1 ASN A 55 -4.269 7.468 -8.252 1.00 0.00 O ATOM 823 ND2 ASN A 55 -2.776 8.915 -7.386 1.00 0.00 N ATOM 0 H ASN A 55 -3.017 5.860 -6.794 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.774 6.338 -4.480 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.297 8.467 -5.798 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.666 8.348 -5.166 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.332 9.089 -8.288 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.434 9.388 -6.549 1.00 0.00 H new ATOM 830 N THR A 56 -6.180 4.713 -6.121 1.00 0.00 N ATOM 831 CA THR A 56 -7.313 4.126 -6.815 1.00 0.00 C ATOM 832 C THR A 56 -8.146 3.277 -5.852 1.00 0.00 C ATOM 833 O THR A 56 -7.601 2.625 -4.963 1.00 0.00 O ATOM 834 CB THR A 56 -6.778 3.338 -8.012 1.00 0.00 C ATOM 835 OG1 THR A 56 -6.015 2.288 -7.423 1.00 0.00 O ATOM 836 CG2 THR A 56 -5.754 4.132 -8.825 1.00 0.00 C ATOM 0 H THR A 56 -5.716 4.091 -5.460 1.00 0.00 H new ATOM 0 HA THR A 56 -7.989 4.895 -7.190 1.00 0.00 H new ATOM 0 HB THR A 56 -7.608 3.049 -8.657 1.00 0.00 H new ATOM 0 HG1 THR A 56 -6.378 1.422 -7.705 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.406 3.527 -9.662 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.217 5.043 -9.203 1.00 0.00 H new ATOM 0 HG23 THR A 56 -4.908 4.392 -8.189 1.00 0.00 H new ATOM 843 N ASP A 57 -9.468 3.290 -6.034 1.00 0.00 N ATOM 844 CA ASP A 57 -10.365 2.528 -5.188 1.00 0.00 C ATOM 845 C ASP A 57 -10.040 1.045 -5.296 1.00 0.00 C ATOM 846 O ASP A 57 -10.111 0.470 -6.379 1.00 0.00 O ATOM 847 CB ASP A 57 -11.808 2.798 -5.604 1.00 0.00 C ATOM 848 CG ASP A 57 -12.428 3.888 -4.742 1.00 0.00 C ATOM 849 OD1 ASP A 57 -11.840 4.172 -3.676 1.00 0.00 O ATOM 850 OD2 ASP A 57 -13.478 4.418 -5.165 1.00 0.00 O ATOM 0 H ASP A 57 -9.935 3.825 -6.766 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.238 2.832 -4.149 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.839 3.096 -6.652 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.393 1.883 -5.516 1.00 0.00 H new ATOM 856 N LYS A 58 -9.688 0.464 -4.158 1.00 0.00 N ATOM 857 CA LYS A 58 -9.350 -0.949 -4.114 1.00 0.00 C ATOM 858 C LYS A 58 -8.124 -1.203 -4.993 1.00 0.00 C ATOM 859 O LYS A 58 -8.164 -2.041 -5.893 1.00 0.00 O ATOM 860 CB LYS A 58 -10.563 -1.802 -4.490 1.00 0.00 C ATOM 861 CG LYS A 58 -11.413 -2.120 -3.258 1.00 0.00 C ATOM 862 CD LYS A 58 -12.373 -0.970 -2.942 1.00 0.00 C ATOM 863 CE LYS A 58 -13.799 -1.486 -2.743 1.00 0.00 C ATOM 864 NZ LYS A 58 -14.781 -0.504 -3.255 1.00 0.00 N ATOM 0 H LYS A 58 -9.630 0.945 -3.261 1.00 0.00 H new ATOM 0 HA LYS A 58 -9.083 -1.245 -3.100 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.168 -1.275 -5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -10.230 -2.730 -4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.980 -3.035 -3.429 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.764 -2.303 -2.401 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -12.041 -0.451 -2.043 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.355 -0.243 -3.754 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.923 -2.437 -3.260 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.980 -1.673 -1.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.744 -0.870 -3.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -14.672 0.395 -2.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.617 -0.346 -4.270 1.00 0.00 H new ATOM 877 N CYS A 59 -7.063 -0.466 -4.700 1.00 0.00 N ATOM 878 CA CYS A 59 -5.827 -0.601 -5.453 1.00 0.00 C ATOM 879 C CYS A 59 -4.992 -1.709 -4.809 1.00 0.00 C ATOM 880 O CYS A 59 -4.501 -2.602 -5.499 1.00 0.00 O ATOM 881 CB CYS A 59 -5.061 0.722 -5.525 1.00 0.00 C ATOM 882 SG CYS A 59 -3.701 0.889 -4.313 1.00 0.00 S ATOM 0 H CYS A 59 -7.033 0.227 -3.952 1.00 0.00 H new ATOM 0 HA CYS A 59 -6.054 -0.870 -6.485 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.650 0.833 -6.528 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.764 1.541 -5.376 1.00 0.00 H new ATOM 887 N ASN A 60 -4.855 -1.616 -3.495 1.00 0.00 N ATOM 888 CA ASN A 60 -4.088 -2.600 -2.750 1.00 0.00 C ATOM 889 C ASN A 60 -4.978 -3.804 -2.436 1.00 0.00 C ATOM 890 O ASN A 60 -4.680 -4.924 -2.847 1.00 0.00 O ATOM 891 CB ASN A 60 -3.590 -2.022 -1.424 1.00 0.00 C ATOM 892 CG ASN A 60 -4.731 -1.912 -0.411 1.00 0.00 C ATOM 893 OD1 ASN A 60 -5.899 -2.054 -0.734 1.00 0.00 O ATOM 894 ND2 ASN A 60 -4.329 -1.652 0.830 1.00 0.00 N ATOM 0 H ASN A 60 -5.262 -0.874 -2.926 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.233 -2.892 -3.360 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.801 -2.656 -1.020 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.153 -1.038 -1.593 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.015 -1.560 1.579 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.335 -1.545 1.032 1.00 0.00 H new