USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 562 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 31 ASN : amide:sc= -13.2! C(o=-13!,f=-27!) USER MOD Set 1.2: A 62 THR OG1 : rot -139:sc= 0.153 USER MOD Set 2.1: A 24 GLN : amide:sc= -0.787 K(o=-0.76,f=-5.4!) USER MOD Set 2.2: A 61 TYR OH : rot -45:sc= 0.0306 USER MOD Set 3.1: A 5 LYS NZ :NH3+ 157:sc= -0.369 (180deg=-1.05) USER MOD Set 3.2: A 21 ASN : amide:sc= -0.357 K(o=-0.73,f=-2.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -142:sc= -0.358 (180deg=-2.32!) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.375 K(o=-0.38,f=-3.9!) USER MOD Single : A 25 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.253) USER MOD Single : A 30 SER OG : rot 180:sc= -0.0901 USER MOD Single : A 35 SER OG : rot -79:sc= 1.09 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0.173 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.146 USER MOD Single : A 45 CYS SG : rot -70:sc= -7.81! USER MOD Single : A 55 GLN : amide:sc= -0.977 K(o=-0.98,f=-3.4!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -0.662! C(o=-0.66!,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.619 -16.963 -4.214 1.00 0.00 N ATOM 2 CA MET A 1 16.414 -16.842 -3.340 1.00 0.00 C ATOM 3 C MET A 1 15.392 -15.898 -3.975 1.00 0.00 C ATOM 4 O MET A 1 15.722 -14.815 -4.416 1.00 0.00 O ATOM 5 CB MET A 1 16.933 -16.261 -2.024 1.00 0.00 C ATOM 6 CG MET A 1 18.008 -17.183 -1.448 1.00 0.00 C ATOM 7 SD MET A 1 19.353 -16.185 -0.762 1.00 0.00 S ATOM 8 CE MET A 1 19.989 -17.426 0.392 1.00 0.00 C ATOM 0 H1 MET A 1 17.965 -17.943 -4.194 1.00 0.00 H new ATOM 0 H2 MET A 1 17.368 -16.704 -5.189 1.00 0.00 H new ATOM 0 H3 MET A 1 18.364 -16.326 -3.868 1.00 0.00 H new ATOM 0 HA MET A 1 15.914 -17.800 -3.194 1.00 0.00 H new ATOM 0 HB2 MET A 1 17.344 -15.265 -2.191 1.00 0.00 H new ATOM 0 HB3 MET A 1 16.113 -16.152 -1.314 1.00 0.00 H new ATOM 0 HG2 MET A 1 17.580 -17.818 -0.673 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.391 -17.843 -2.226 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.841 -17.016 0.934 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.206 -17.700 1.100 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.303 -18.311 -0.162 1.00 0.00 H new ATOM 20 N VAL A 2 14.152 -16.298 -4.025 1.00 0.00 N ATOM 21 CA VAL A 2 13.110 -15.423 -4.632 1.00 0.00 C ATOM 22 C VAL A 2 12.925 -14.157 -3.790 1.00 0.00 C ATOM 23 O VAL A 2 12.936 -14.200 -2.576 1.00 0.00 O ATOM 24 CB VAL A 2 11.835 -16.263 -4.621 1.00 0.00 C ATOM 25 CG1 VAL A 2 11.361 -16.453 -3.179 1.00 0.00 C ATOM 26 CG2 VAL A 2 10.748 -15.547 -5.425 1.00 0.00 C ATOM 0 H VAL A 2 13.815 -17.193 -3.672 1.00 0.00 H new ATOM 0 HA VAL A 2 13.377 -15.099 -5.638 1.00 0.00 H new ATOM 0 HB VAL A 2 12.037 -17.237 -5.067 1.00 0.00 H new ATOM 0 HG11 VAL A 2 10.451 -17.053 -3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.136 -16.962 -2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 2 11.158 -15.480 -2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.837 -16.145 -5.418 1.00 0.00 H new ATOM 0 HG22 VAL A 2 10.546 -14.574 -4.978 1.00 0.00 H new ATOM 0 HG23 VAL A 2 11.085 -15.411 -6.453 1.00 0.00 H new ATOM 36 N ASP A 3 12.756 -13.031 -4.426 1.00 0.00 N ATOM 37 CA ASP A 3 12.572 -11.764 -3.661 1.00 0.00 C ATOM 38 C ASP A 3 11.215 -11.765 -2.952 1.00 0.00 C ATOM 39 O ASP A 3 11.066 -11.225 -1.873 1.00 0.00 O ATOM 40 CB ASP A 3 12.626 -10.656 -4.715 1.00 0.00 C ATOM 41 CG ASP A 3 11.405 -10.760 -5.629 1.00 0.00 C ATOM 42 OD1 ASP A 3 10.320 -10.443 -5.173 1.00 0.00 O ATOM 43 OD2 ASP A 3 11.577 -11.153 -6.771 1.00 0.00 O ATOM 0 H ASP A 3 12.737 -12.932 -5.441 1.00 0.00 H new ATOM 0 HA ASP A 3 13.331 -11.632 -2.890 1.00 0.00 H new ATOM 0 HB2 ASP A 3 12.649 -9.680 -4.231 1.00 0.00 H new ATOM 0 HB3 ASP A 3 13.541 -10.742 -5.302 1.00 0.00 H new ATOM 48 N SER A 4 10.225 -12.372 -3.547 1.00 0.00 N ATOM 49 CA SER A 4 8.881 -12.413 -2.903 1.00 0.00 C ATOM 50 C SER A 4 8.399 -10.994 -2.587 1.00 0.00 C ATOM 51 O SER A 4 8.447 -10.548 -1.458 1.00 0.00 O ATOM 52 CB SER A 4 9.086 -13.206 -1.614 1.00 0.00 C ATOM 53 OG SER A 4 8.492 -14.490 -1.750 1.00 0.00 O ATOM 0 H SER A 4 10.288 -12.841 -4.451 1.00 0.00 H new ATOM 0 HA SER A 4 8.129 -12.867 -3.548 1.00 0.00 H new ATOM 0 HB2 SER A 4 10.150 -13.306 -1.401 1.00 0.00 H new ATOM 0 HB3 SER A 4 8.641 -12.675 -0.773 1.00 0.00 H new ATOM 0 HG SER A 4 8.624 -15.001 -0.924 1.00 0.00 H new ATOM 59 N LYS A 5 7.931 -10.281 -3.577 1.00 0.00 N ATOM 60 CA LYS A 5 7.445 -8.893 -3.333 1.00 0.00 C ATOM 61 C LYS A 5 6.110 -8.666 -4.051 1.00 0.00 C ATOM 62 O LYS A 5 5.813 -7.577 -4.500 1.00 0.00 O ATOM 63 CB LYS A 5 8.529 -7.984 -3.920 1.00 0.00 C ATOM 64 CG LYS A 5 9.393 -7.416 -2.790 1.00 0.00 C ATOM 65 CD LYS A 5 9.573 -5.906 -2.992 1.00 0.00 C ATOM 66 CE LYS A 5 10.533 -5.658 -4.158 1.00 0.00 C ATOM 67 NZ LYS A 5 9.693 -5.036 -5.220 1.00 0.00 N ATOM 0 H LYS A 5 7.865 -10.600 -4.543 1.00 0.00 H new ATOM 0 HA LYS A 5 7.275 -8.695 -2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.150 -8.546 -4.618 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.070 -7.172 -4.484 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.923 -7.611 -1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 5 10.364 -7.910 -2.777 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.610 -5.438 -3.194 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.964 -5.451 -2.082 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.350 -4.999 -3.864 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.983 -6.589 -4.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 10.299 -4.493 -5.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.198 -5.780 -5.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 8.995 -4.400 -4.783 1.00 0.00 H new ATOM 81 N LYS A 6 5.306 -9.689 -4.168 1.00 0.00 N ATOM 82 CA LYS A 6 3.995 -9.531 -4.864 1.00 0.00 C ATOM 83 C LYS A 6 3.200 -10.839 -4.814 1.00 0.00 C ATOM 84 O LYS A 6 2.911 -11.438 -5.830 1.00 0.00 O ATOM 85 CB LYS A 6 4.358 -9.185 -6.307 1.00 0.00 C ATOM 86 CG LYS A 6 5.033 -10.390 -6.965 1.00 0.00 C ATOM 87 CD LYS A 6 6.453 -10.014 -7.387 1.00 0.00 C ATOM 88 CE LYS A 6 6.671 -10.400 -8.850 1.00 0.00 C ATOM 89 NZ LYS A 6 7.720 -9.464 -9.342 1.00 0.00 N ATOM 0 H LYS A 6 5.499 -10.625 -3.813 1.00 0.00 H new ATOM 0 HA LYS A 6 3.373 -8.766 -4.399 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.462 -8.908 -6.862 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.026 -8.324 -6.329 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.059 -11.229 -6.270 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.458 -10.713 -7.833 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.611 -8.944 -7.255 1.00 0.00 H new ATOM 0 HD3 LYS A 6 7.179 -10.524 -6.754 1.00 0.00 H new ATOM 0 HE2 LYS A 6 6.993 -11.437 -8.941 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.751 -10.300 -9.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 7.925 -9.666 -10.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.383 -8.485 -9.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.586 -9.586 -8.779 1.00 0.00 H new ATOM 103 N ARG A 7 2.833 -11.285 -3.641 1.00 0.00 N ATOM 104 CA ARG A 7 2.049 -12.548 -3.543 1.00 0.00 C ATOM 105 C ARG A 7 0.683 -12.365 -4.216 1.00 0.00 C ATOM 106 O ARG A 7 0.341 -13.086 -5.134 1.00 0.00 O ATOM 107 CB ARG A 7 1.897 -12.810 -2.037 1.00 0.00 C ATOM 108 CG ARG A 7 0.568 -13.525 -1.762 1.00 0.00 C ATOM 109 CD ARG A 7 0.766 -14.569 -0.660 1.00 0.00 C ATOM 110 NE ARG A 7 -0.454 -15.422 -0.720 1.00 0.00 N ATOM 111 CZ ARG A 7 -0.536 -16.496 0.018 1.00 0.00 C ATOM 112 NH1 ARG A 7 -1.001 -16.417 1.235 1.00 0.00 N ATOM 113 NH2 ARG A 7 -0.159 -17.649 -0.463 1.00 0.00 N ATOM 0 H ARG A 7 3.042 -10.831 -2.752 1.00 0.00 H new ATOM 0 HA ARG A 7 2.536 -13.385 -4.043 1.00 0.00 H new ATOM 0 HB2 ARG A 7 2.728 -13.418 -1.679 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.933 -11.868 -1.490 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -0.190 -12.802 -1.460 1.00 0.00 H new ATOM 0 HG3 ARG A 7 0.207 -14.005 -2.671 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.668 -15.157 -0.829 1.00 0.00 H new ATOM 0 HD3 ARG A 7 0.871 -14.098 0.317 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.225 -15.167 -1.337 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -1.300 -15.517 1.609 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -1.065 -17.256 1.812 1.00 0.00 H new ATOM 0 HH21 ARG A 7 0.200 -17.711 -1.416 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.223 -18.488 0.114 1.00 0.00 H new ATOM 127 N PRO A 8 -0.043 -11.387 -3.748 1.00 0.00 N ATOM 128 CA PRO A 8 -1.373 -11.086 -4.324 1.00 0.00 C ATOM 129 C PRO A 8 -1.223 -10.387 -5.680 1.00 0.00 C ATOM 130 O PRO A 8 -1.889 -9.410 -5.961 1.00 0.00 O ATOM 131 CB PRO A 8 -1.999 -10.143 -3.305 1.00 0.00 C ATOM 132 CG PRO A 8 -0.839 -9.504 -2.603 1.00 0.00 C ATOM 133 CD PRO A 8 0.304 -10.492 -2.646 1.00 0.00 C ATOM 0 HA PRO A 8 -1.972 -11.979 -4.502 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.626 -9.396 -3.792 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.634 -10.685 -2.604 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.560 -8.570 -3.091 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.099 -9.260 -1.573 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.257 -9.993 -2.822 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.398 -11.035 -1.705 1.00 0.00 H new ATOM 141 N GLY A 9 -0.347 -10.871 -6.519 1.00 0.00 N ATOM 142 CA GLY A 9 -0.152 -10.227 -7.847 1.00 0.00 C ATOM 143 C GLY A 9 -1.507 -10.039 -8.529 1.00 0.00 C ATOM 144 O GLY A 9 -1.748 -9.048 -9.189 1.00 0.00 O ATOM 0 H GLY A 9 0.241 -11.685 -6.341 1.00 0.00 H new ATOM 0 HA2 GLY A 9 0.343 -9.263 -7.726 1.00 0.00 H new ATOM 0 HA3 GLY A 9 0.497 -10.843 -8.469 1.00 0.00 H new ATOM 148 N LYS A 10 -2.398 -10.981 -8.373 1.00 0.00 N ATOM 149 CA LYS A 10 -3.739 -10.850 -9.014 1.00 0.00 C ATOM 150 C LYS A 10 -4.512 -9.692 -8.385 1.00 0.00 C ATOM 151 O LYS A 10 -5.563 -9.304 -8.855 1.00 0.00 O ATOM 152 CB LYS A 10 -4.442 -12.179 -8.736 1.00 0.00 C ATOM 153 CG LYS A 10 -5.849 -12.145 -9.332 1.00 0.00 C ATOM 154 CD LYS A 10 -6.637 -13.365 -8.854 1.00 0.00 C ATOM 155 CE LYS A 10 -7.632 -12.938 -7.772 1.00 0.00 C ATOM 156 NZ LYS A 10 -8.488 -14.136 -7.543 1.00 0.00 N ATOM 0 H LYS A 10 -2.256 -11.833 -7.831 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.669 -10.642 -10.082 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -3.872 -13.002 -9.168 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.495 -12.357 -7.662 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.360 -11.230 -9.033 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.794 -12.138 -10.421 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.167 -13.820 -9.691 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.956 -14.119 -8.460 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.118 -12.639 -6.858 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.226 -12.084 -8.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.197 -13.922 -6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.970 -14.393 -8.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.896 -14.931 -7.228 1.00 0.00 H new ATOM 170 N ASP A 11 -3.994 -9.135 -7.331 1.00 0.00 N ATOM 171 CA ASP A 11 -4.688 -7.994 -6.669 1.00 0.00 C ATOM 172 C ASP A 11 -3.680 -7.151 -5.887 1.00 0.00 C ATOM 173 O ASP A 11 -3.486 -7.339 -4.702 1.00 0.00 O ATOM 174 CB ASP A 11 -5.699 -8.641 -5.720 1.00 0.00 C ATOM 175 CG ASP A 11 -7.044 -7.923 -5.841 1.00 0.00 C ATOM 176 OD1 ASP A 11 -7.317 -7.391 -6.904 1.00 0.00 O ATOM 177 OD2 ASP A 11 -7.778 -7.916 -4.866 1.00 0.00 O ATOM 0 H ASP A 11 -3.117 -9.420 -6.895 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.172 -7.330 -7.386 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.816 -9.698 -5.961 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.337 -8.587 -4.693 1.00 0.00 H new ATOM 182 N LEU A 12 -3.029 -6.232 -6.543 1.00 0.00 N ATOM 183 CA LEU A 12 -2.025 -5.385 -5.841 1.00 0.00 C ATOM 184 C LEU A 12 -2.109 -3.938 -6.336 1.00 0.00 C ATOM 185 O LEU A 12 -1.393 -3.537 -7.232 1.00 0.00 O ATOM 186 CB LEU A 12 -0.673 -5.996 -6.211 1.00 0.00 C ATOM 187 CG LEU A 12 -0.006 -6.565 -4.958 1.00 0.00 C ATOM 188 CD1 LEU A 12 0.893 -7.740 -5.346 1.00 0.00 C ATOM 189 CD2 LEU A 12 0.840 -5.477 -4.292 1.00 0.00 C ATOM 0 H LEU A 12 -3.149 -6.031 -7.536 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.186 -5.361 -4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -0.809 -6.784 -6.952 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.033 -5.239 -6.664 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.773 -6.908 -4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.368 -8.145 -4.453 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.293 -8.516 -5.821 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.660 -7.398 -6.041 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.316 -5.882 -3.399 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.606 -5.135 -4.988 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.201 -4.638 -4.015 1.00 0.00 H new ATOM 201 N ASP A 13 -2.975 -3.151 -5.759 1.00 0.00 N ATOM 202 CA ASP A 13 -3.098 -1.731 -6.198 1.00 0.00 C ATOM 203 C ASP A 13 -1.714 -1.128 -6.417 1.00 0.00 C ATOM 204 O ASP A 13 -0.766 -1.457 -5.732 1.00 0.00 O ATOM 205 CB ASP A 13 -3.817 -1.020 -5.051 1.00 0.00 C ATOM 206 CG ASP A 13 -5.136 -0.435 -5.560 1.00 0.00 C ATOM 207 OD1 ASP A 13 -5.259 -0.262 -6.761 1.00 0.00 O ATOM 208 OD2 ASP A 13 -5.999 -0.171 -4.740 1.00 0.00 O ATOM 0 H ASP A 13 -3.602 -3.429 -5.004 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.640 -1.635 -7.139 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.007 -1.720 -4.237 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -3.187 -0.227 -4.648 1.00 0.00 H new ATOM 213 N ARG A 14 -1.588 -0.251 -7.371 1.00 0.00 N ATOM 214 CA ARG A 14 -0.263 0.367 -7.640 1.00 0.00 C ATOM 215 C ARG A 14 0.379 0.838 -6.331 1.00 0.00 C ATOM 216 O ARG A 14 1.580 0.984 -6.237 1.00 0.00 O ATOM 217 CB ARG A 14 -0.560 1.557 -8.550 1.00 0.00 C ATOM 218 CG ARG A 14 -1.104 1.052 -9.890 1.00 0.00 C ATOM 219 CD ARG A 14 -0.218 -0.086 -10.406 1.00 0.00 C ATOM 220 NE ARG A 14 -0.546 -0.199 -11.855 1.00 0.00 N ATOM 221 CZ ARG A 14 0.413 -0.264 -12.737 1.00 0.00 C ATOM 222 NH1 ARG A 14 1.030 0.824 -13.110 1.00 0.00 N ATOM 223 NH2 ARG A 14 0.754 -1.414 -13.246 1.00 0.00 N ATOM 0 H ARG A 14 -2.346 0.065 -7.976 1.00 0.00 H new ATOM 0 HA ARG A 14 0.434 -0.334 -8.099 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.286 2.218 -8.077 1.00 0.00 H new ATOM 0 HB3 ARG A 14 0.346 2.141 -8.710 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.129 0.703 -9.770 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.128 1.866 -10.615 1.00 0.00 H new ATOM 0 HD2 ARG A 14 0.838 0.137 -10.256 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -0.425 -1.018 -9.880 1.00 0.00 H new ATOM 0 HE ARG A 14 -1.520 -0.226 -12.157 1.00 0.00 H new ATOM 0 HH11 ARG A 14 0.762 1.724 -12.712 1.00 0.00 H new ATOM 0 HH12 ARG A 14 1.780 0.774 -13.800 1.00 0.00 H new ATOM 0 HH21 ARG A 14 0.271 -2.264 -12.955 1.00 0.00 H new ATOM 0 HH22 ARG A 14 1.504 -1.464 -13.936 1.00 0.00 H new ATOM 237 N ILE A 15 -0.415 1.072 -5.321 1.00 0.00 N ATOM 238 CA ILE A 15 0.151 1.526 -4.017 1.00 0.00 C ATOM 239 C ILE A 15 0.697 0.331 -3.236 1.00 0.00 C ATOM 240 O ILE A 15 1.777 0.383 -2.680 1.00 0.00 O ATOM 241 CB ILE A 15 -1.025 2.170 -3.281 1.00 0.00 C ATOM 242 CG1 ILE A 15 -1.228 3.597 -3.796 1.00 0.00 C ATOM 243 CG2 ILE A 15 -0.730 2.212 -1.780 1.00 0.00 C ATOM 244 CD1 ILE A 15 -1.213 3.599 -5.326 1.00 0.00 C ATOM 0 H ILE A 15 -1.430 0.969 -5.342 1.00 0.00 H new ATOM 0 HA ILE A 15 0.980 2.223 -4.141 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.927 1.584 -3.459 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.175 3.994 -3.431 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.441 4.247 -3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.569 2.671 -1.257 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.583 1.197 -1.410 1.00 0.00 H new ATOM 0 HG23 ILE A 15 0.172 2.797 -1.603 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.358 4.616 -5.690 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.255 3.220 -5.681 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.016 2.963 -5.699 1.00 0.00 H new ATOM 256 N ASP A 16 -0.033 -0.748 -3.192 1.00 0.00 N ATOM 257 CA ASP A 16 0.457 -1.941 -2.452 1.00 0.00 C ATOM 258 C ASP A 16 1.798 -2.397 -3.029 1.00 0.00 C ATOM 259 O ASP A 16 2.731 -2.684 -2.306 1.00 0.00 O ATOM 260 CB ASP A 16 -0.613 -3.011 -2.671 1.00 0.00 C ATOM 261 CG ASP A 16 -1.935 -2.541 -2.063 1.00 0.00 C ATOM 262 OD1 ASP A 16 -2.515 -1.613 -2.601 1.00 0.00 O ATOM 263 OD2 ASP A 16 -2.345 -3.119 -1.070 1.00 0.00 O ATOM 0 H ASP A 16 -0.945 -0.854 -3.636 1.00 0.00 H new ATOM 0 HA ASP A 16 0.616 -1.738 -1.393 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -0.738 -3.203 -3.737 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -0.303 -3.950 -2.213 1.00 0.00 H new ATOM 268 N ARG A 17 1.907 -2.452 -4.330 1.00 0.00 N ATOM 269 CA ARG A 17 3.195 -2.874 -4.948 1.00 0.00 C ATOM 270 C ARG A 17 4.272 -1.842 -4.650 1.00 0.00 C ATOM 271 O ARG A 17 5.356 -2.168 -4.211 1.00 0.00 O ATOM 272 CB ARG A 17 2.915 -2.944 -6.451 1.00 0.00 C ATOM 273 CG ARG A 17 2.942 -4.403 -6.907 1.00 0.00 C ATOM 274 CD ARG A 17 2.902 -4.460 -8.435 1.00 0.00 C ATOM 275 NE ARG A 17 3.376 -5.827 -8.780 1.00 0.00 N ATOM 276 CZ ARG A 17 2.628 -6.613 -9.505 1.00 0.00 C ATOM 277 NH1 ARG A 17 2.455 -6.361 -10.774 1.00 0.00 N ATOM 278 NH2 ARG A 17 2.051 -7.651 -8.961 1.00 0.00 N ATOM 0 H ARG A 17 1.162 -2.224 -4.988 1.00 0.00 H new ATOM 0 HA ARG A 17 3.549 -3.829 -4.561 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.944 -2.501 -6.672 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.661 -2.367 -6.998 1.00 0.00 H new ATOM 0 HG2 ARG A 17 3.842 -4.894 -6.537 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.091 -4.941 -6.490 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.894 -4.285 -8.811 1.00 0.00 H new ATOM 0 HD3 ARG A 17 3.543 -3.697 -8.876 1.00 0.00 H new ATOM 0 HE ARG A 17 4.285 -6.150 -8.450 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.904 -5.550 -11.199 1.00 0.00 H new ATOM 0 HH12 ARG A 17 1.870 -6.975 -11.341 1.00 0.00 H new ATOM 0 HH21 ARG A 17 2.185 -7.847 -7.969 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.466 -8.265 -9.528 1.00 0.00 H new ATOM 292 N ASN A 18 3.972 -0.596 -4.853 1.00 0.00 N ATOM 293 CA ASN A 18 4.969 0.462 -4.544 1.00 0.00 C ATOM 294 C ASN A 18 5.285 0.421 -3.058 1.00 0.00 C ATOM 295 O ASN A 18 6.424 0.512 -2.649 1.00 0.00 O ATOM 296 CB ASN A 18 4.288 1.783 -4.913 1.00 0.00 C ATOM 297 CG ASN A 18 5.019 2.419 -6.098 1.00 0.00 C ATOM 298 OD1 ASN A 18 6.019 1.907 -6.558 1.00 0.00 O ATOM 299 ND2 ASN A 18 4.558 3.526 -6.615 1.00 0.00 N ATOM 0 H ASN A 18 3.081 -0.262 -5.219 1.00 0.00 H new ATOM 0 HA ASN A 18 5.904 0.334 -5.089 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.243 1.607 -5.168 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.298 2.461 -4.059 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.038 3.959 -7.404 1.00 0.00 H new ATOM 0 HD22 ASN A 18 3.718 3.958 -6.230 1.00 0.00 H new ATOM 306 N ILE A 19 4.283 0.247 -2.247 1.00 0.00 N ATOM 307 CA ILE A 19 4.519 0.161 -0.788 1.00 0.00 C ATOM 308 C ILE A 19 5.401 -1.047 -0.486 1.00 0.00 C ATOM 309 O ILE A 19 6.308 -0.981 0.319 1.00 0.00 O ATOM 310 CB ILE A 19 3.129 -0.013 -0.174 1.00 0.00 C ATOM 311 CG1 ILE A 19 2.442 1.349 -0.070 1.00 0.00 C ATOM 312 CG2 ILE A 19 3.256 -0.623 1.222 1.00 0.00 C ATOM 313 CD1 ILE A 19 1.111 1.192 0.665 1.00 0.00 C ATOM 0 H ILE A 19 3.308 0.161 -2.535 1.00 0.00 H new ATOM 0 HA ILE A 19 5.027 1.039 -0.388 1.00 0.00 H new ATOM 0 HB ILE A 19 2.537 -0.674 -0.807 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.083 2.052 0.462 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.274 1.761 -1.065 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.264 -0.746 1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.744 -1.595 1.151 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.850 0.036 1.854 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.620 2.162 0.740 1.00 0.00 H new ATOM 0 HD12 ILE A 19 0.471 0.503 0.115 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.292 0.799 1.665 1.00 0.00 H new ATOM 325 N LEU A 20 5.158 -2.150 -1.146 1.00 0.00 N ATOM 326 CA LEU A 20 6.002 -3.349 -0.914 1.00 0.00 C ATOM 327 C LEU A 20 7.395 -3.110 -1.493 1.00 0.00 C ATOM 328 O LEU A 20 8.396 -3.449 -0.893 1.00 0.00 O ATOM 329 CB LEU A 20 5.299 -4.481 -1.659 1.00 0.00 C ATOM 330 CG LEU A 20 4.257 -5.123 -0.743 1.00 0.00 C ATOM 331 CD1 LEU A 20 3.510 -6.215 -1.509 1.00 0.00 C ATOM 332 CD2 LEU A 20 4.956 -5.738 0.470 1.00 0.00 C ATOM 0 H LEU A 20 4.413 -2.268 -1.833 1.00 0.00 H new ATOM 0 HA LEU A 20 6.123 -3.579 0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.820 -4.096 -2.559 1.00 0.00 H new ATOM 0 HB3 LEU A 20 6.026 -5.227 -1.979 1.00 0.00 H new ATOM 0 HG LEU A 20 3.549 -4.365 -0.409 1.00 0.00 H new ATOM 0 HD11 LEU A 20 2.767 -6.673 -0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 20 3.013 -5.777 -2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.217 -6.974 -1.843 1.00 0.00 H new ATOM 0 HD21 LEU A 20 4.214 -6.196 1.124 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.663 -6.497 0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.490 -4.960 1.016 1.00 0.00 H new ATOM 344 N ASN A 21 7.469 -2.504 -2.652 1.00 0.00 N ATOM 345 CA ASN A 21 8.799 -2.219 -3.255 1.00 0.00 C ATOM 346 C ASN A 21 9.537 -1.197 -2.393 1.00 0.00 C ATOM 347 O ASN A 21 10.741 -1.248 -2.243 1.00 0.00 O ATOM 348 CB ASN A 21 8.495 -1.640 -4.637 1.00 0.00 C ATOM 349 CG ASN A 21 9.798 -1.481 -5.422 1.00 0.00 C ATOM 350 OD1 ASN A 21 10.691 -0.769 -5.003 1.00 0.00 O ATOM 351 ND2 ASN A 21 9.947 -2.118 -6.550 1.00 0.00 N ATOM 0 H ASN A 21 6.667 -2.197 -3.202 1.00 0.00 H new ATOM 0 HA ASN A 21 9.430 -3.105 -3.323 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.811 -2.296 -5.176 1.00 0.00 H new ATOM 0 HB3 ASN A 21 7.998 -0.675 -4.537 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.812 -2.019 -7.081 1.00 0.00 H new ATOM 0 HD22 ASN A 21 9.198 -2.715 -6.901 1.00 0.00 H new ATOM 358 N GLU A 22 8.816 -0.280 -1.806 1.00 0.00 N ATOM 359 CA GLU A 22 9.468 0.731 -0.934 1.00 0.00 C ATOM 360 C GLU A 22 9.825 0.099 0.408 1.00 0.00 C ATOM 361 O GLU A 22 10.789 0.474 1.045 1.00 0.00 O ATOM 362 CB GLU A 22 8.428 1.835 -0.753 1.00 0.00 C ATOM 363 CG GLU A 22 8.044 2.402 -2.122 1.00 0.00 C ATOM 364 CD GLU A 22 8.962 3.575 -2.467 1.00 0.00 C ATOM 365 OE1 GLU A 22 10.159 3.446 -2.268 1.00 0.00 O ATOM 366 OE2 GLU A 22 8.452 4.584 -2.927 1.00 0.00 O ATOM 0 H GLU A 22 7.804 -0.190 -1.894 1.00 0.00 H new ATOM 0 HA GLU A 22 10.392 1.119 -1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.545 1.439 -0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.828 2.626 -0.119 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.126 1.627 -2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 22 7.005 2.731 -2.112 1.00 0.00 H new ATOM 373 N LEU A 23 9.070 -0.877 0.831 1.00 0.00 N ATOM 374 CA LEU A 23 9.386 -1.553 2.116 1.00 0.00 C ATOM 375 C LEU A 23 10.628 -2.425 1.938 1.00 0.00 C ATOM 376 O LEU A 23 11.428 -2.581 2.840 1.00 0.00 O ATOM 377 CB LEU A 23 8.162 -2.413 2.429 1.00 0.00 C ATOM 378 CG LEU A 23 7.068 -1.539 3.040 1.00 0.00 C ATOM 379 CD1 LEU A 23 5.849 -2.402 3.372 1.00 0.00 C ATOM 380 CD2 LEU A 23 7.594 -0.888 4.321 1.00 0.00 C ATOM 0 H LEU A 23 8.249 -1.234 0.342 1.00 0.00 H new ATOM 0 HA LEU A 23 9.594 -0.849 2.922 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.796 -2.889 1.519 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.432 -3.212 3.120 1.00 0.00 H new ATOM 0 HG LEU A 23 6.782 -0.765 2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.069 -1.778 3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.474 -2.868 2.461 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.134 -3.176 4.084 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.815 -0.264 4.758 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.880 -1.663 5.032 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.463 -0.273 4.086 1.00 0.00 H new ATOM 392 N GLN A 24 10.808 -2.974 0.767 1.00 0.00 N ATOM 393 CA GLN A 24 12.009 -3.811 0.510 1.00 0.00 C ATOM 394 C GLN A 24 13.215 -2.911 0.244 1.00 0.00 C ATOM 395 O GLN A 24 14.299 -3.143 0.742 1.00 0.00 O ATOM 396 CB GLN A 24 11.664 -4.629 -0.734 1.00 0.00 C ATOM 397 CG GLN A 24 12.908 -5.376 -1.216 1.00 0.00 C ATOM 398 CD GLN A 24 12.671 -6.882 -1.112 1.00 0.00 C ATOM 399 OE1 GLN A 24 11.586 -7.318 -0.780 1.00 0.00 O ATOM 400 NE2 GLN A 24 13.648 -7.704 -1.384 1.00 0.00 N ATOM 0 H GLN A 24 10.171 -2.877 -0.024 1.00 0.00 H new ATOM 0 HA GLN A 24 12.263 -4.451 1.355 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.867 -5.337 -0.507 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.293 -3.973 -1.522 1.00 0.00 H new ATOM 0 HG2 GLN A 24 13.132 -5.103 -2.247 1.00 0.00 H new ATOM 0 HG3 GLN A 24 13.772 -5.091 -0.616 1.00 0.00 H new ATOM 0 HE21 GLN A 24 14.559 -7.339 -1.663 1.00 0.00 H new ATOM 0 HE22 GLN A 24 13.501 -8.711 -1.318 1.00 0.00 H new ATOM 409 N LYS A 25 13.030 -1.868 -0.524 1.00 0.00 N ATOM 410 CA LYS A 25 14.163 -0.941 -0.802 1.00 0.00 C ATOM 411 C LYS A 25 14.558 -0.217 0.480 1.00 0.00 C ATOM 412 O LYS A 25 15.715 0.073 0.713 1.00 0.00 O ATOM 413 CB LYS A 25 13.624 0.044 -1.858 1.00 0.00 C ATOM 414 CG LYS A 25 13.468 1.443 -1.247 1.00 0.00 C ATOM 415 CD LYS A 25 13.137 2.448 -2.352 1.00 0.00 C ATOM 416 CE LYS A 25 12.660 3.759 -1.722 1.00 0.00 C ATOM 417 NZ LYS A 25 13.890 4.391 -1.169 1.00 0.00 N ATOM 0 H LYS A 25 12.146 -1.620 -0.968 1.00 0.00 H new ATOM 0 HA LYS A 25 15.054 -1.456 -1.161 1.00 0.00 H new ATOM 0 HB2 LYS A 25 14.304 0.085 -2.709 1.00 0.00 H new ATOM 0 HB3 LYS A 25 12.663 -0.305 -2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.677 1.438 -0.497 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.387 1.734 -0.739 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.016 2.628 -2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 25 12.364 2.044 -3.006 1.00 0.00 H new ATOM 0 HE2 LYS A 25 12.184 4.402 -2.462 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.924 3.576 -0.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.784 4.517 -0.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.710 3.781 -1.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 14.036 5.318 -1.618 1.00 0.00 H new ATOM 431 N ASP A 26 13.609 0.061 1.322 1.00 0.00 N ATOM 432 CA ASP A 26 13.930 0.745 2.597 1.00 0.00 C ATOM 433 C ASP A 26 13.076 0.168 3.727 1.00 0.00 C ATOM 434 O ASP A 26 12.259 0.851 4.312 1.00 0.00 O ATOM 435 CB ASP A 26 13.583 2.215 2.358 1.00 0.00 C ATOM 436 CG ASP A 26 14.849 2.981 1.966 1.00 0.00 C ATOM 437 OD1 ASP A 26 15.590 2.478 1.137 1.00 0.00 O ATOM 438 OD2 ASP A 26 15.055 4.058 2.501 1.00 0.00 O ATOM 0 H ASP A 26 12.622 -0.157 1.181 1.00 0.00 H new ATOM 0 HA ASP A 26 14.973 0.617 2.886 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.835 2.300 1.570 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.147 2.648 3.258 1.00 0.00 H new ATOM 443 N GLY A 27 13.250 -1.091 4.028 1.00 0.00 N ATOM 444 CA GLY A 27 12.440 -1.720 5.109 1.00 0.00 C ATOM 445 C GLY A 27 12.593 -0.918 6.400 1.00 0.00 C ATOM 446 O GLY A 27 13.004 0.227 6.389 1.00 0.00 O ATOM 0 H GLY A 27 13.919 -1.711 3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 27 11.391 -1.758 4.815 1.00 0.00 H new ATOM 0 HA3 GLY A 27 12.764 -2.749 5.268 1.00 0.00 H new ATOM 450 N ARG A 28 12.267 -1.507 7.516 1.00 0.00 N ATOM 451 CA ARG A 28 12.390 -0.775 8.805 1.00 0.00 C ATOM 452 C ARG A 28 11.843 0.644 8.653 1.00 0.00 C ATOM 453 O ARG A 28 12.287 1.566 9.308 1.00 0.00 O ATOM 454 CB ARG A 28 13.889 -0.742 9.100 1.00 0.00 C ATOM 455 CG ARG A 28 14.508 -2.101 8.767 1.00 0.00 C ATOM 456 CD ARG A 28 14.972 -2.106 7.309 1.00 0.00 C ATOM 457 NE ARG A 28 16.314 -2.752 7.336 1.00 0.00 N ATOM 458 CZ ARG A 28 17.379 -2.035 7.568 1.00 0.00 C ATOM 459 NH1 ARG A 28 17.508 -0.861 7.013 1.00 0.00 N ATOM 460 NH2 ARG A 28 18.315 -2.492 8.355 1.00 0.00 N ATOM 0 H ARG A 28 11.921 -2.464 7.591 1.00 0.00 H new ATOM 0 HA ARG A 28 11.828 -1.251 9.609 1.00 0.00 H new ATOM 0 HB2 ARG A 28 14.368 0.041 8.512 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.058 -0.501 10.150 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.351 -2.301 9.429 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.779 -2.895 8.931 1.00 0.00 H new ATOM 0 HD2 ARG A 28 14.279 -2.660 6.676 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.029 -1.094 6.909 1.00 0.00 H new ATOM 0 HE ARG A 28 16.400 -3.755 7.173 1.00 0.00 H new ATOM 0 HH11 ARG A 28 16.776 -0.504 6.398 1.00 0.00 H new ATOM 0 HH12 ARG A 28 18.340 -0.300 7.194 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.214 -3.410 8.789 1.00 0.00 H new ATOM 0 HH22 ARG A 28 19.148 -1.931 8.536 1.00 0.00 H new ATOM 474 N ILE A 29 10.883 0.827 7.790 1.00 0.00 N ATOM 475 CA ILE A 29 10.309 2.186 7.590 1.00 0.00 C ATOM 476 C ILE A 29 8.834 2.200 7.972 1.00 0.00 C ATOM 477 O ILE A 29 8.068 1.348 7.565 1.00 0.00 O ATOM 478 CB ILE A 29 10.475 2.471 6.099 1.00 0.00 C ATOM 479 CG1 ILE A 29 9.746 3.768 5.746 1.00 0.00 C ATOM 480 CG2 ILE A 29 9.883 1.316 5.287 1.00 0.00 C ATOM 481 CD1 ILE A 29 9.890 4.043 4.249 1.00 0.00 C ATOM 0 H ILE A 29 10.471 0.093 7.214 1.00 0.00 H new ATOM 0 HA ILE A 29 10.804 2.935 8.208 1.00 0.00 H new ATOM 0 HB ILE A 29 11.535 2.572 5.864 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.692 3.689 6.012 1.00 0.00 H new ATOM 0 HG13 ILE A 29 10.159 4.597 6.320 1.00 0.00 H new ATOM 0 HG21 ILE A 29 10.002 1.521 4.223 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.402 0.391 5.539 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.823 1.213 5.520 1.00 0.00 H new ATOM 0 HD11 ILE A 29 9.370 4.968 3.997 1.00 0.00 H new ATOM 0 HD12 ILE A 29 10.946 4.140 3.997 1.00 0.00 H new ATOM 0 HD13 ILE A 29 9.456 3.218 3.684 1.00 0.00 H new ATOM 493 N SER A 30 8.425 3.162 8.747 1.00 0.00 N ATOM 494 CA SER A 30 6.996 3.232 9.147 1.00 0.00 C ATOM 495 C SER A 30 6.128 3.556 7.929 1.00 0.00 C ATOM 496 O SER A 30 6.626 3.914 6.880 1.00 0.00 O ATOM 497 CB SER A 30 6.926 4.364 10.170 1.00 0.00 C ATOM 498 OG SER A 30 5.572 4.574 10.549 1.00 0.00 O ATOM 0 H SER A 30 9.019 3.903 9.121 1.00 0.00 H new ATOM 0 HA SER A 30 6.633 2.290 9.558 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.526 4.116 11.045 1.00 0.00 H new ATOM 0 HB3 SER A 30 7.343 5.278 9.747 1.00 0.00 H new ATOM 0 HG SER A 30 5.525 5.299 11.207 1.00 0.00 H new ATOM 504 N ASN A 31 4.837 3.437 8.055 1.00 0.00 N ATOM 505 CA ASN A 31 3.946 3.742 6.899 1.00 0.00 C ATOM 506 C ASN A 31 4.029 5.223 6.541 1.00 0.00 C ATOM 507 O ASN A 31 4.053 5.585 5.386 1.00 0.00 O ATOM 508 CB ASN A 31 2.543 3.381 7.376 1.00 0.00 C ATOM 509 CG ASN A 31 2.069 2.122 6.652 1.00 0.00 C ATOM 510 OD1 ASN A 31 2.000 1.059 7.237 1.00 0.00 O ATOM 511 ND2 ASN A 31 1.742 2.192 5.390 1.00 0.00 N ATOM 0 H ASN A 31 4.359 3.142 8.907 1.00 0.00 H new ATOM 0 HA ASN A 31 4.227 3.187 6.004 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.545 3.215 8.453 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.857 4.206 7.181 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.429 1.356 4.897 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.799 3.083 4.897 1.00 0.00 H new ATOM 518 N VAL A 32 4.088 6.088 7.517 1.00 0.00 N ATOM 519 CA VAL A 32 4.190 7.541 7.201 1.00 0.00 C ATOM 520 C VAL A 32 5.219 7.743 6.092 1.00 0.00 C ATOM 521 O VAL A 32 4.897 8.188 5.008 1.00 0.00 O ATOM 522 CB VAL A 32 4.655 8.204 8.498 1.00 0.00 C ATOM 523 CG1 VAL A 32 4.713 9.720 8.304 1.00 0.00 C ATOM 524 CG2 VAL A 32 3.672 7.871 9.623 1.00 0.00 C ATOM 0 H VAL A 32 4.070 5.855 8.510 1.00 0.00 H new ATOM 0 HA VAL A 32 3.247 7.965 6.855 1.00 0.00 H new ATOM 0 HB VAL A 32 5.646 7.833 8.760 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.044 10.193 9.229 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.413 9.958 7.503 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.722 10.091 8.042 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.004 8.344 10.548 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.681 8.241 9.361 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.631 6.791 9.762 1.00 0.00 H new ATOM 534 N GLU A 33 6.446 7.371 6.335 1.00 0.00 N ATOM 535 CA GLU A 33 7.476 7.493 5.272 1.00 0.00 C ATOM 536 C GLU A 33 7.073 6.610 4.095 1.00 0.00 C ATOM 537 O GLU A 33 7.300 6.937 2.944 1.00 0.00 O ATOM 538 CB GLU A 33 8.771 6.986 5.912 1.00 0.00 C ATOM 539 CG GLU A 33 9.889 8.003 5.677 1.00 0.00 C ATOM 540 CD GLU A 33 10.248 8.684 7.000 1.00 0.00 C ATOM 541 OE1 GLU A 33 9.905 8.140 8.036 1.00 0.00 O ATOM 542 OE2 GLU A 33 10.861 9.738 6.953 1.00 0.00 O ATOM 0 H GLU A 33 6.776 6.989 7.221 1.00 0.00 H new ATOM 0 HA GLU A 33 7.591 8.511 4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.624 6.831 6.981 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.047 6.022 5.485 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.766 7.506 5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.570 8.748 4.948 1.00 0.00 H new ATOM 549 N LEU A 34 6.445 5.499 4.381 1.00 0.00 N ATOM 550 CA LEU A 34 5.990 4.597 3.294 1.00 0.00 C ATOM 551 C LEU A 34 4.871 5.270 2.502 1.00 0.00 C ATOM 552 O LEU A 34 4.585 4.912 1.379 1.00 0.00 O ATOM 553 CB LEU A 34 5.465 3.352 4.009 1.00 0.00 C ATOM 554 CG LEU A 34 5.949 2.100 3.277 1.00 0.00 C ATOM 555 CD1 LEU A 34 5.285 0.865 3.887 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.577 2.200 1.796 1.00 0.00 C ATOM 0 H LEU A 34 6.229 5.181 5.326 1.00 0.00 H new ATOM 0 HA LEU A 34 6.786 4.355 2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.813 3.339 5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.376 3.370 4.040 1.00 0.00 H new ATOM 0 HG LEU A 34 7.031 2.017 3.375 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.629 -0.028 3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.549 0.794 4.942 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.203 0.948 3.789 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.922 1.308 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.495 2.283 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 34 6.049 3.081 1.361 1.00 0.00 H new ATOM 568 N SER A 35 4.231 6.244 3.089 1.00 0.00 N ATOM 569 CA SER A 35 3.125 6.946 2.387 1.00 0.00 C ATOM 570 C SER A 35 3.671 8.105 1.553 1.00 0.00 C ATOM 571 O SER A 35 3.059 8.538 0.596 1.00 0.00 O ATOM 572 CB SER A 35 2.230 7.468 3.498 1.00 0.00 C ATOM 573 OG SER A 35 2.726 8.719 3.957 1.00 0.00 O ATOM 0 H SER A 35 4.430 6.584 4.030 1.00 0.00 H new ATOM 0 HA SER A 35 2.591 6.289 1.700 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.209 7.581 3.134 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.198 6.753 4.320 1.00 0.00 H new ATOM 0 HG SER A 35 3.480 8.569 4.565 1.00 0.00 H new ATOM 579 N LYS A 36 4.813 8.621 1.916 1.00 0.00 N ATOM 580 CA LYS A 36 5.392 9.764 1.155 1.00 0.00 C ATOM 581 C LYS A 36 6.068 9.273 -0.129 1.00 0.00 C ATOM 582 O LYS A 36 6.081 9.958 -1.133 1.00 0.00 O ATOM 583 CB LYS A 36 6.423 10.382 2.099 1.00 0.00 C ATOM 584 CG LYS A 36 5.744 10.772 3.412 1.00 0.00 C ATOM 585 CD LYS A 36 6.446 11.994 4.007 1.00 0.00 C ATOM 586 CE LYS A 36 7.736 11.553 4.702 1.00 0.00 C ATOM 587 NZ LYS A 36 8.763 12.539 4.263 1.00 0.00 N ATOM 0 H LYS A 36 5.371 8.300 2.707 1.00 0.00 H new ATOM 0 HA LYS A 36 4.629 10.481 0.851 1.00 0.00 H new ATOM 0 HB2 LYS A 36 7.228 9.672 2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 36 6.875 11.259 1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.691 10.994 3.237 1.00 0.00 H new ATOM 0 HG3 LYS A 36 5.782 9.940 4.115 1.00 0.00 H new ATOM 0 HD2 LYS A 36 6.672 12.715 3.222 1.00 0.00 H new ATOM 0 HD3 LYS A 36 5.789 12.493 4.719 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.622 11.557 5.786 1.00 0.00 H new ATOM 0 HE3 LYS A 36 8.013 10.539 4.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.678 12.304 4.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 8.854 12.508 3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 8.475 13.494 4.557 1.00 0.00 H new ATOM 601 N ARG A 37 6.641 8.100 -0.106 1.00 0.00 N ATOM 602 CA ARG A 37 7.324 7.587 -1.331 1.00 0.00 C ATOM 603 C ARG A 37 6.309 6.974 -2.302 1.00 0.00 C ATOM 604 O ARG A 37 6.595 6.770 -3.465 1.00 0.00 O ATOM 605 CB ARG A 37 8.303 6.527 -0.832 1.00 0.00 C ATOM 606 CG ARG A 37 7.531 5.355 -0.236 1.00 0.00 C ATOM 607 CD ARG A 37 8.308 4.789 0.950 1.00 0.00 C ATOM 608 NE ARG A 37 9.704 4.637 0.458 1.00 0.00 N ATOM 609 CZ ARG A 37 10.708 4.872 1.260 1.00 0.00 C ATOM 610 NH1 ARG A 37 11.050 6.101 1.534 1.00 0.00 N ATOM 611 NH2 ARG A 37 11.367 3.878 1.790 1.00 0.00 N ATOM 0 H ARG A 37 6.667 7.477 0.702 1.00 0.00 H new ATOM 0 HA ARG A 37 7.831 8.383 -1.876 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.930 6.182 -1.654 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.968 6.956 -0.082 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.542 5.682 0.085 1.00 0.00 H new ATOM 0 HG3 ARG A 37 7.382 4.582 -0.990 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.263 5.460 1.808 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.896 3.832 1.271 1.00 0.00 H new ATOM 0 HE ARG A 37 9.877 4.349 -0.505 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.533 6.878 1.122 1.00 0.00 H new ATOM 0 HH12 ARG A 37 11.834 6.285 2.160 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.098 2.917 1.578 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.151 4.062 2.416 1.00 0.00 H new ATOM 625 N VAL A 38 5.127 6.688 -1.838 1.00 0.00 N ATOM 626 CA VAL A 38 4.095 6.096 -2.745 1.00 0.00 C ATOM 627 C VAL A 38 3.157 7.189 -3.260 1.00 0.00 C ATOM 628 O VAL A 38 2.113 6.911 -3.816 1.00 0.00 O ATOM 629 CB VAL A 38 3.317 5.095 -1.884 1.00 0.00 C ATOM 630 CG1 VAL A 38 2.503 4.171 -2.790 1.00 0.00 C ATOM 631 CG2 VAL A 38 4.294 4.258 -1.055 1.00 0.00 C ATOM 0 H VAL A 38 4.827 6.836 -0.874 1.00 0.00 H new ATOM 0 HA VAL A 38 4.546 5.618 -3.615 1.00 0.00 H new ATOM 0 HB VAL A 38 2.648 5.638 -1.216 1.00 0.00 H new ATOM 0 HG11 VAL A 38 1.949 3.458 -2.179 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.804 4.764 -3.380 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.175 3.631 -3.457 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.737 3.548 -0.444 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.965 3.716 -1.721 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.877 4.914 -0.408 1.00 0.00 H new ATOM 641 N GLY A 39 3.510 8.429 -3.069 1.00 0.00 N ATOM 642 CA GLY A 39 2.623 9.530 -3.537 1.00 0.00 C ATOM 643 C GLY A 39 1.218 9.290 -2.996 1.00 0.00 C ATOM 644 O GLY A 39 0.241 9.782 -3.526 1.00 0.00 O ATOM 0 H GLY A 39 4.371 8.727 -2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.001 10.492 -3.192 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.607 9.565 -4.626 1.00 0.00 H new ATOM 648 N LEU A 40 1.111 8.525 -1.946 1.00 0.00 N ATOM 649 CA LEU A 40 -0.224 8.233 -1.360 1.00 0.00 C ATOM 650 C LEU A 40 -0.223 8.538 0.131 1.00 0.00 C ATOM 651 O LEU A 40 0.657 8.116 0.854 1.00 0.00 O ATOM 652 CB LEU A 40 -0.426 6.732 -1.577 1.00 0.00 C ATOM 653 CG LEU A 40 -1.540 6.229 -0.661 1.00 0.00 C ATOM 654 CD1 LEU A 40 -2.888 6.753 -1.158 1.00 0.00 C ATOM 655 CD2 LEU A 40 -1.552 4.702 -0.664 1.00 0.00 C ATOM 0 H LEU A 40 1.897 8.087 -1.466 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.011 8.833 -1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.681 6.536 -2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.500 6.196 -1.369 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.365 6.588 0.353 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.682 6.393 -0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.879 7.843 -1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.065 6.397 -2.173 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.347 4.343 -0.010 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.725 4.341 -1.678 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.592 4.330 -0.306 1.00 0.00 H new ATOM 667 N SER A 41 -1.219 9.220 0.616 1.00 0.00 N ATOM 668 CA SER A 41 -1.271 9.479 2.074 1.00 0.00 C ATOM 669 C SER A 41 -1.011 8.179 2.803 1.00 0.00 C ATOM 670 O SER A 41 -1.130 7.116 2.234 1.00 0.00 O ATOM 671 CB SER A 41 -2.685 9.974 2.351 1.00 0.00 C ATOM 672 OG SER A 41 -3.327 10.289 1.122 1.00 0.00 O ATOM 0 H SER A 41 -1.991 9.605 0.071 1.00 0.00 H new ATOM 0 HA SER A 41 -0.530 10.208 2.403 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.251 9.210 2.884 1.00 0.00 H new ATOM 0 HB3 SER A 41 -2.654 10.854 2.993 1.00 0.00 H new ATOM 0 HG SER A 41 -4.237 10.606 1.300 1.00 0.00 H new ATOM 678 N PRO A 42 -0.643 8.293 4.026 1.00 0.00 N ATOM 679 CA PRO A 42 -0.341 7.099 4.811 1.00 0.00 C ATOM 680 C PRO A 42 -1.624 6.364 5.188 1.00 0.00 C ATOM 681 O PRO A 42 -1.719 5.162 5.046 1.00 0.00 O ATOM 682 CB PRO A 42 0.371 7.644 6.038 1.00 0.00 C ATOM 683 CG PRO A 42 -0.109 9.059 6.172 1.00 0.00 C ATOM 684 CD PRO A 42 -0.477 9.532 4.786 1.00 0.00 C ATOM 0 HA PRO A 42 0.265 6.372 4.270 1.00 0.00 H new ATOM 0 HB2 PRO A 42 0.129 7.060 6.926 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.453 7.605 5.916 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -0.969 9.113 6.839 1.00 0.00 H new ATOM 0 HG3 PRO A 42 0.668 9.691 6.602 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -1.394 10.121 4.795 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.303 10.162 4.358 1.00 0.00 H new ATOM 692 N THR A 43 -2.625 7.071 5.644 1.00 0.00 N ATOM 693 CA THR A 43 -3.902 6.392 6.000 1.00 0.00 C ATOM 694 C THR A 43 -4.199 5.288 4.982 1.00 0.00 C ATOM 695 O THR A 43 -4.387 4.145 5.345 1.00 0.00 O ATOM 696 CB THR A 43 -4.971 7.483 5.942 1.00 0.00 C ATOM 697 OG1 THR A 43 -4.347 8.754 5.815 1.00 0.00 O ATOM 698 CG2 THR A 43 -5.798 7.445 7.226 1.00 0.00 C ATOM 0 H THR A 43 -2.613 8.081 5.784 1.00 0.00 H new ATOM 0 HA THR A 43 -3.864 5.924 6.984 1.00 0.00 H new ATOM 0 HB THR A 43 -5.621 7.314 5.083 1.00 0.00 H new ATOM 0 HG1 THR A 43 -5.033 9.453 5.776 1.00 0.00 H new ATOM 0 HG21 THR A 43 -6.562 8.221 7.190 1.00 0.00 H new ATOM 0 HG22 THR A 43 -6.276 6.470 7.322 1.00 0.00 H new ATOM 0 HG23 THR A 43 -5.147 7.616 8.083 1.00 0.00 H new ATOM 706 N PRO A 44 -4.189 5.667 3.728 1.00 0.00 N ATOM 707 CA PRO A 44 -4.415 4.690 2.647 1.00 0.00 C ATOM 708 C PRO A 44 -3.164 3.840 2.450 1.00 0.00 C ATOM 709 O PRO A 44 -3.231 2.628 2.418 1.00 0.00 O ATOM 710 CB PRO A 44 -4.677 5.556 1.420 1.00 0.00 C ATOM 711 CG PRO A 44 -4.004 6.864 1.714 1.00 0.00 C ATOM 712 CD PRO A 44 -3.978 7.024 3.219 1.00 0.00 C ATOM 0 HA PRO A 44 -5.235 4.001 2.852 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.270 5.097 0.519 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -5.746 5.691 1.254 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.993 6.876 1.308 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -4.544 7.688 1.248 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -3.027 7.434 3.560 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.759 7.704 3.561 1.00 0.00 H new ATOM 720 N CYS A 45 -2.013 4.456 2.343 1.00 0.00 N ATOM 721 CA CYS A 45 -0.772 3.654 2.186 1.00 0.00 C ATOM 722 C CYS A 45 -0.825 2.493 3.155 1.00 0.00 C ATOM 723 O CYS A 45 -0.465 1.378 2.833 1.00 0.00 O ATOM 724 CB CYS A 45 0.376 4.596 2.534 1.00 0.00 C ATOM 725 SG CYS A 45 1.938 3.868 1.981 1.00 0.00 S ATOM 0 H CYS A 45 -1.884 5.468 2.358 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.651 3.251 1.180 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.224 5.564 2.057 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.404 4.771 3.609 1.00 0.00 H new ATOM 0 HG CYS A 45 2.224 2.840 2.723 1.00 0.00 H new ATOM 731 N LEU A 46 -1.342 2.730 4.322 1.00 0.00 N ATOM 732 CA LEU A 46 -1.501 1.630 5.288 1.00 0.00 C ATOM 733 C LEU A 46 -2.602 0.717 4.790 1.00 0.00 C ATOM 734 O LEU A 46 -2.454 -0.483 4.738 1.00 0.00 O ATOM 735 CB LEU A 46 -1.907 2.307 6.587 1.00 0.00 C ATOM 736 CG LEU A 46 -0.734 3.133 7.106 1.00 0.00 C ATOM 737 CD1 LEU A 46 -1.207 4.549 7.440 1.00 0.00 C ATOM 738 CD2 LEU A 46 -0.166 2.475 8.365 1.00 0.00 C ATOM 0 H LEU A 46 -1.661 3.643 4.645 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.600 1.031 5.420 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.774 2.947 6.423 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.197 1.560 7.326 1.00 0.00 H new ATOM 0 HG LEU A 46 0.039 3.183 6.339 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.366 5.136 7.810 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.610 5.019 6.543 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.982 4.503 8.205 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.672 3.064 8.737 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.941 2.423 9.130 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.176 1.468 8.127 1.00 0.00 H new ATOM 750 N GLU A 47 -3.696 1.286 4.369 1.00 0.00 N ATOM 751 CA GLU A 47 -4.794 0.456 3.819 1.00 0.00 C ATOM 752 C GLU A 47 -4.221 -0.502 2.772 1.00 0.00 C ATOM 753 O GLU A 47 -4.500 -1.685 2.775 1.00 0.00 O ATOM 754 CB GLU A 47 -5.762 1.446 3.172 1.00 0.00 C ATOM 755 CG GLU A 47 -6.571 2.153 4.259 1.00 0.00 C ATOM 756 CD GLU A 47 -7.676 2.986 3.609 1.00 0.00 C ATOM 757 OE1 GLU A 47 -7.462 3.460 2.505 1.00 0.00 O ATOM 758 OE2 GLU A 47 -8.719 3.136 4.224 1.00 0.00 O ATOM 0 H GLU A 47 -3.874 2.290 4.383 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.292 -0.145 4.580 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.210 2.177 2.581 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.431 0.923 2.488 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.005 1.420 4.939 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.920 2.793 4.854 1.00 0.00 H new ATOM 765 N ARG A 48 -3.396 0.005 1.889 1.00 0.00 N ATOM 766 CA ARG A 48 -2.777 -0.872 0.857 1.00 0.00 C ATOM 767 C ARG A 48 -1.769 -1.812 1.521 1.00 0.00 C ATOM 768 O ARG A 48 -1.638 -2.967 1.155 1.00 0.00 O ATOM 769 CB ARG A 48 -2.079 0.087 -0.114 1.00 0.00 C ATOM 770 CG ARG A 48 -3.116 0.665 -1.076 1.00 0.00 C ATOM 771 CD ARG A 48 -3.733 1.923 -0.465 1.00 0.00 C ATOM 772 NE ARG A 48 -4.175 2.736 -1.631 1.00 0.00 N ATOM 773 CZ ARG A 48 -5.395 3.196 -1.678 1.00 0.00 C ATOM 774 NH1 ARG A 48 -6.012 3.526 -0.577 1.00 0.00 N ATOM 775 NH2 ARG A 48 -5.999 3.325 -2.827 1.00 0.00 N ATOM 0 H ARG A 48 -3.127 0.988 1.841 1.00 0.00 H new ATOM 0 HA ARG A 48 -3.506 -1.498 0.342 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.589 0.889 0.437 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.303 -0.439 -0.669 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.648 0.904 -2.031 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.893 -0.073 -1.277 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.572 1.676 0.186 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -3.007 2.464 0.142 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.525 2.933 -2.392 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.541 3.425 0.322 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.966 3.886 -0.615 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.517 3.066 -3.688 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -6.953 3.685 -2.864 1.00 0.00 H new ATOM 789 N VAL A 49 -1.071 -1.333 2.512 1.00 0.00 N ATOM 790 CA VAL A 49 -0.087 -2.197 3.216 1.00 0.00 C ATOM 791 C VAL A 49 -0.820 -3.242 4.067 1.00 0.00 C ATOM 792 O VAL A 49 -0.516 -4.418 4.020 1.00 0.00 O ATOM 793 CB VAL A 49 0.725 -1.232 4.097 1.00 0.00 C ATOM 794 CG1 VAL A 49 0.392 -1.459 5.575 1.00 0.00 C ATOM 795 CG2 VAL A 49 2.216 -1.485 3.873 1.00 0.00 C ATOM 0 H VAL A 49 -1.141 -0.378 2.865 1.00 0.00 H new ATOM 0 HA VAL A 49 0.555 -2.750 2.530 1.00 0.00 H new ATOM 0 HB VAL A 49 0.474 -0.206 3.829 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.973 -0.770 6.189 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.671 -1.284 5.740 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.637 -2.485 5.850 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.798 -0.804 4.494 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.455 -2.514 4.141 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.460 -1.317 2.824 1.00 0.00 H new ATOM 805 N ARG A 50 -1.792 -2.824 4.832 1.00 0.00 N ATOM 806 CA ARG A 50 -2.548 -3.796 5.667 1.00 0.00 C ATOM 807 C ARG A 50 -2.956 -4.983 4.811 1.00 0.00 C ATOM 808 O ARG A 50 -2.742 -6.126 5.166 1.00 0.00 O ATOM 809 CB ARG A 50 -3.777 -3.031 6.160 1.00 0.00 C ATOM 810 CG ARG A 50 -3.336 -1.699 6.770 1.00 0.00 C ATOM 811 CD ARG A 50 -3.618 -1.702 8.271 1.00 0.00 C ATOM 812 NE ARG A 50 -5.081 -1.953 8.386 1.00 0.00 N ATOM 813 CZ ARG A 50 -5.747 -1.475 9.400 1.00 0.00 C ATOM 814 NH1 ARG A 50 -5.480 -1.890 10.609 1.00 0.00 N ATOM 815 NH2 ARG A 50 -6.678 -0.583 9.208 1.00 0.00 N ATOM 0 H ARG A 50 -2.094 -1.853 4.914 1.00 0.00 H new ATOM 0 HA ARG A 50 -1.962 -4.183 6.501 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.465 -2.855 5.333 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.314 -3.623 6.901 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -2.273 -1.540 6.590 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.867 -0.876 6.292 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.043 -2.476 8.779 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.343 -0.750 8.726 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.562 -2.499 7.671 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -4.751 -2.587 10.759 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.000 -1.517 11.403 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.886 -0.258 8.264 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.198 -0.210 10.002 1.00 0.00 H new ATOM 829 N ARG A 51 -3.506 -4.720 3.665 1.00 0.00 N ATOM 830 CA ARG A 51 -3.885 -5.833 2.757 1.00 0.00 C ATOM 831 C ARG A 51 -2.667 -6.729 2.537 1.00 0.00 C ATOM 832 O ARG A 51 -2.745 -7.938 2.628 1.00 0.00 O ATOM 833 CB ARG A 51 -4.307 -5.156 1.449 1.00 0.00 C ATOM 834 CG ARG A 51 -4.165 -6.144 0.287 1.00 0.00 C ATOM 835 CD ARG A 51 -4.837 -7.469 0.654 1.00 0.00 C ATOM 836 NE ARG A 51 -6.296 -7.193 0.578 1.00 0.00 N ATOM 837 CZ ARG A 51 -7.116 -8.128 0.188 1.00 0.00 C ATOM 838 NH1 ARG A 51 -6.831 -8.849 -0.862 1.00 0.00 N ATOM 839 NH2 ARG A 51 -8.221 -8.343 0.846 1.00 0.00 N ATOM 0 H ARG A 51 -3.710 -3.783 3.316 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.686 -6.456 3.155 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.339 -4.812 1.523 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.690 -4.276 1.268 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.621 -5.731 -0.613 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.111 -6.309 0.064 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -4.549 -8.262 -0.036 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.548 -7.795 1.653 1.00 0.00 H new ATOM 0 HE ARG A 51 -6.655 -6.272 0.831 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.967 -8.681 -1.377 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -7.472 -9.581 -1.168 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -8.444 -7.779 1.666 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -8.862 -9.075 0.540 1.00 0.00 H new ATOM 853 N LEU A 52 -1.533 -6.137 2.275 1.00 0.00 N ATOM 854 CA LEU A 52 -0.300 -6.945 2.079 1.00 0.00 C ATOM 855 C LEU A 52 0.104 -7.608 3.399 1.00 0.00 C ATOM 856 O LEU A 52 0.885 -8.538 3.426 1.00 0.00 O ATOM 857 CB LEU A 52 0.763 -5.943 1.635 1.00 0.00 C ATOM 858 CG LEU A 52 0.358 -5.339 0.290 1.00 0.00 C ATOM 859 CD1 LEU A 52 1.257 -4.143 -0.025 1.00 0.00 C ATOM 860 CD2 LEU A 52 0.507 -6.395 -0.807 1.00 0.00 C ATOM 0 H LEU A 52 -1.409 -5.128 2.189 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.436 -7.742 1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.872 -5.156 2.382 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.731 -6.437 1.548 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.679 -5.008 0.337 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.968 -3.713 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.150 -3.391 0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.295 -4.471 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.219 -5.966 -1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.544 -6.726 -0.855 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -0.136 -7.246 -0.582 1.00 0.00 H new ATOM 872 N GLU A 53 -0.428 -7.134 4.493 1.00 0.00 N ATOM 873 CA GLU A 53 -0.084 -7.732 5.814 1.00 0.00 C ATOM 874 C GLU A 53 -0.705 -9.124 5.943 1.00 0.00 C ATOM 875 O GLU A 53 -0.017 -10.106 6.136 1.00 0.00 O ATOM 876 CB GLU A 53 -0.695 -6.778 6.842 1.00 0.00 C ATOM 877 CG GLU A 53 0.233 -6.662 8.051 1.00 0.00 C ATOM 878 CD GLU A 53 -0.404 -7.362 9.252 1.00 0.00 C ATOM 879 OE1 GLU A 53 -1.395 -8.046 9.058 1.00 0.00 O ATOM 880 OE2 GLU A 53 0.110 -7.204 10.347 1.00 0.00 O ATOM 0 H GLU A 53 -1.087 -6.357 4.528 1.00 0.00 H new ATOM 0 HA GLU A 53 0.991 -7.851 5.949 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.850 -5.796 6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.673 -7.143 7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.200 -7.112 7.825 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.416 -5.613 8.283 1.00 0.00 H new ATOM 887 N ARG A 54 -2.002 -9.214 5.841 1.00 0.00 N ATOM 888 CA ARG A 54 -2.671 -10.541 5.962 1.00 0.00 C ATOM 889 C ARG A 54 -2.433 -11.375 4.700 1.00 0.00 C ATOM 890 O ARG A 54 -2.542 -12.585 4.716 1.00 0.00 O ATOM 891 CB ARG A 54 -4.157 -10.218 6.114 1.00 0.00 C ATOM 892 CG ARG A 54 -4.393 -9.519 7.454 1.00 0.00 C ATOM 893 CD ARG A 54 -5.892 -9.282 7.648 1.00 0.00 C ATOM 894 NE ARG A 54 -6.039 -8.921 9.085 1.00 0.00 N ATOM 895 CZ ARG A 54 -6.391 -7.711 9.421 1.00 0.00 C ATOM 896 NH1 ARG A 54 -5.485 -6.779 9.548 1.00 0.00 N ATOM 897 NH2 ARG A 54 -7.648 -7.431 9.630 1.00 0.00 N ATOM 0 H ARG A 54 -2.629 -8.426 5.679 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.287 -11.121 6.801 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -4.487 -9.578 5.295 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.746 -11.133 6.061 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -4.002 -10.129 8.268 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.857 -8.570 7.481 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -6.253 -8.483 7.001 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -6.468 -10.174 7.404 1.00 0.00 H new ATOM 0 HE ARG A 54 -5.864 -9.620 9.807 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.502 -6.997 9.384 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -5.760 -5.833 9.811 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -8.356 -8.159 9.531 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.923 -6.485 9.893 1.00 0.00 H new ATOM 911 N GLN A 55 -2.120 -10.739 3.606 1.00 0.00 N ATOM 912 CA GLN A 55 -1.886 -11.499 2.342 1.00 0.00 C ATOM 913 C GLN A 55 -0.847 -10.781 1.478 1.00 0.00 C ATOM 914 O GLN A 55 -1.084 -10.492 0.321 1.00 0.00 O ATOM 915 CB GLN A 55 -3.245 -11.531 1.624 1.00 0.00 C ATOM 916 CG GLN A 55 -4.302 -10.798 2.460 1.00 0.00 C ATOM 917 CD GLN A 55 -5.653 -10.862 1.747 1.00 0.00 C ATOM 918 OE1 GLN A 55 -5.718 -10.804 0.536 1.00 0.00 O ATOM 919 NE2 GLN A 55 -6.743 -10.979 2.455 1.00 0.00 N ATOM 0 H GLN A 55 -2.016 -9.727 3.530 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.507 -12.502 2.536 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.158 -11.063 0.643 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.553 -12.563 1.459 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -4.379 -11.252 3.448 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -4.007 -9.759 2.609 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -6.688 -11.028 3.472 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.650 -11.022 1.991 1.00 0.00 H new ATOM 928 N GLY A 56 0.299 -10.491 2.025 1.00 0.00 N ATOM 929 CA GLY A 56 1.346 -9.793 1.229 1.00 0.00 C ATOM 930 C GLY A 56 2.707 -9.967 1.901 1.00 0.00 C ATOM 931 O GLY A 56 3.159 -11.070 2.135 1.00 0.00 O ATOM 0 H GLY A 56 0.556 -10.707 2.988 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.376 -10.196 0.217 1.00 0.00 H new ATOM 0 HA3 GLY A 56 1.105 -8.733 1.143 1.00 0.00 H new ATOM 935 N PHE A 57 3.368 -8.885 2.211 1.00 0.00 N ATOM 936 CA PHE A 57 4.704 -8.989 2.862 1.00 0.00 C ATOM 937 C PHE A 57 4.918 -7.818 3.824 1.00 0.00 C ATOM 938 O PHE A 57 5.636 -6.883 3.528 1.00 0.00 O ATOM 939 CB PHE A 57 5.706 -8.922 1.709 1.00 0.00 C ATOM 940 CG PHE A 57 5.701 -10.234 0.962 1.00 0.00 C ATOM 941 CD1 PHE A 57 4.725 -10.481 -0.011 1.00 0.00 C ATOM 942 CD2 PHE A 57 6.674 -11.202 1.241 1.00 0.00 C ATOM 943 CE1 PHE A 57 4.722 -11.697 -0.706 1.00 0.00 C ATOM 944 CE2 PHE A 57 6.669 -12.418 0.547 1.00 0.00 C ATOM 945 CZ PHE A 57 5.693 -12.666 -0.426 1.00 0.00 C ATOM 0 H PHE A 57 3.040 -7.934 2.041 1.00 0.00 H new ATOM 0 HA PHE A 57 4.810 -9.903 3.447 1.00 0.00 H new ATOM 0 HB2 PHE A 57 5.447 -8.106 1.034 1.00 0.00 H new ATOM 0 HB3 PHE A 57 6.705 -8.713 2.092 1.00 0.00 H new ATOM 0 HD1 PHE A 57 3.975 -9.734 -0.226 1.00 0.00 H new ATOM 0 HD2 PHE A 57 7.427 -11.011 1.991 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.971 -11.887 -1.458 1.00 0.00 H new ATOM 0 HE2 PHE A 57 7.418 -13.165 0.762 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.689 -13.605 -0.960 1.00 0.00 H new ATOM 955 N ILE A 58 4.299 -7.858 4.974 1.00 0.00 N ATOM 956 CA ILE A 58 4.467 -6.739 5.949 1.00 0.00 C ATOM 957 C ILE A 58 4.652 -7.286 7.362 1.00 0.00 C ATOM 958 O ILE A 58 4.399 -6.610 8.339 1.00 0.00 O ATOM 959 CB ILE A 58 3.180 -5.922 5.847 1.00 0.00 C ATOM 960 CG1 ILE A 58 2.703 -5.892 4.391 1.00 0.00 C ATOM 961 CG2 ILE A 58 3.457 -4.496 6.312 1.00 0.00 C ATOM 962 CD1 ILE A 58 3.747 -5.176 3.530 1.00 0.00 C ATOM 0 H ILE A 58 3.686 -8.614 5.280 1.00 0.00 H new ATOM 0 HA ILE A 58 5.347 -6.134 5.731 1.00 0.00 H new ATOM 0 HB ILE A 58 2.410 -6.375 6.472 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.549 -6.907 4.026 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.744 -5.379 4.321 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.543 -3.906 6.242 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.801 -4.511 7.346 1.00 0.00 H new ATOM 0 HG23 ILE A 58 4.225 -4.050 5.680 1.00 0.00 H new ATOM 0 HD11 ILE A 58 3.410 -5.153 2.494 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.879 -4.156 3.891 1.00 0.00 H new ATOM 0 HD13 ILE A 58 4.696 -5.708 3.591 1.00 0.00 H new ATOM 974 N GLN A 59 5.124 -8.492 7.479 1.00 0.00 N ATOM 975 CA GLN A 59 5.362 -9.069 8.830 1.00 0.00 C ATOM 976 C GLN A 59 6.716 -8.590 9.359 1.00 0.00 C ATOM 977 O GLN A 59 7.137 -8.949 10.440 1.00 0.00 O ATOM 978 CB GLN A 59 5.372 -10.585 8.623 1.00 0.00 C ATOM 979 CG GLN A 59 6.327 -10.936 7.479 1.00 0.00 C ATOM 980 CD GLN A 59 7.263 -12.062 7.922 1.00 0.00 C ATOM 981 OE1 GLN A 59 6.819 -13.146 8.247 1.00 0.00 O ATOM 982 NE2 GLN A 59 8.550 -11.850 7.949 1.00 0.00 N ATOM 0 H GLN A 59 5.356 -9.105 6.698 1.00 0.00 H new ATOM 0 HA GLN A 59 4.604 -8.768 9.553 1.00 0.00 H new ATOM 0 HB2 GLN A 59 5.685 -11.086 9.539 1.00 0.00 H new ATOM 0 HB3 GLN A 59 4.367 -10.938 8.394 1.00 0.00 H new ATOM 0 HG2 GLN A 59 5.761 -11.244 6.600 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.907 -10.058 7.193 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.923 -10.941 7.676 1.00 0.00 H new ATOM 0 HE22 GLN A 59 9.183 -12.594 8.243 1.00 0.00 H new ATOM 991 N GLY A 60 7.394 -7.774 8.599 1.00 0.00 N ATOM 992 CA GLY A 60 8.720 -7.258 9.044 1.00 0.00 C ATOM 993 C GLY A 60 8.898 -5.823 8.540 1.00 0.00 C ATOM 994 O GLY A 60 9.405 -4.969 9.240 1.00 0.00 O ATOM 0 H GLY A 60 7.085 -7.441 7.686 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.788 -7.285 10.132 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.518 -7.893 8.659 1.00 0.00 H new ATOM 998 N TYR A 61 8.476 -5.551 7.332 1.00 0.00 N ATOM 999 CA TYR A 61 8.608 -4.167 6.787 1.00 0.00 C ATOM 1000 C TYR A 61 7.918 -3.174 7.718 1.00 0.00 C ATOM 1001 O TYR A 61 8.368 -2.936 8.821 1.00 0.00 O ATOM 1002 CB TYR A 61 7.917 -4.214 5.426 1.00 0.00 C ATOM 1003 CG TYR A 61 8.592 -5.249 4.561 1.00 0.00 C ATOM 1004 CD1 TYR A 61 9.767 -4.926 3.871 1.00 0.00 C ATOM 1005 CD2 TYR A 61 8.046 -6.533 4.451 1.00 0.00 C ATOM 1006 CE1 TYR A 61 10.396 -5.889 3.073 1.00 0.00 C ATOM 1007 CE2 TYR A 61 8.673 -7.495 3.651 1.00 0.00 C ATOM 1008 CZ TYR A 61 9.848 -7.173 2.962 1.00 0.00 C ATOM 1009 OH TYR A 61 10.469 -8.121 2.176 1.00 0.00 O ATOM 0 H TYR A 61 8.046 -6.227 6.700 1.00 0.00 H new ATOM 0 HA TYR A 61 9.646 -3.846 6.699 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.862 -4.458 5.549 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.964 -3.236 4.947 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.188 -3.935 3.954 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.140 -6.782 4.984 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.304 -5.642 2.543 1.00 0.00 H new ATOM 0 HE2 TYR A 61 8.250 -8.485 3.565 1.00 0.00 H new ATOM 0 HH TYR A 61 10.726 -7.719 1.320 1.00 0.00 H new ATOM 1019 N THR A 62 6.822 -2.601 7.304 1.00 0.00 N ATOM 1020 CA THR A 62 6.121 -1.647 8.198 1.00 0.00 C ATOM 1021 C THR A 62 5.194 -2.408 9.134 1.00 0.00 C ATOM 1022 O THR A 62 4.261 -1.856 9.679 1.00 0.00 O ATOM 1023 CB THR A 62 5.320 -0.727 7.277 1.00 0.00 C ATOM 1024 OG1 THR A 62 5.024 0.486 7.958 1.00 0.00 O ATOM 1025 CG2 THR A 62 4.013 -1.411 6.865 1.00 0.00 C ATOM 0 H THR A 62 6.387 -2.752 6.394 1.00 0.00 H new ATOM 0 HA THR A 62 6.815 -1.079 8.817 1.00 0.00 H new ATOM 0 HB THR A 62 5.910 -0.512 6.386 1.00 0.00 H new ATOM 0 HG1 THR A 62 4.103 0.757 7.759 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.447 -0.750 6.209 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.238 -2.339 6.339 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.422 -1.632 7.754 1.00 0.00 H new ATOM 1033 N ALA A 63 5.444 -3.675 9.327 1.00 0.00 N ATOM 1034 CA ALA A 63 4.580 -4.468 10.238 1.00 0.00 C ATOM 1035 C ALA A 63 4.212 -3.614 11.454 1.00 0.00 C ATOM 1036 O ALA A 63 3.163 -3.771 12.047 1.00 0.00 O ATOM 1037 CB ALA A 63 5.434 -5.663 10.657 1.00 0.00 C ATOM 0 H ALA A 63 6.209 -4.192 8.893 1.00 0.00 H new ATOM 0 HA ALA A 63 3.650 -4.788 9.768 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.863 -6.299 11.334 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.717 -6.235 9.774 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.332 -5.309 11.163 1.00 0.00 H new ATOM 1043 N LEU A 64 5.071 -2.692 11.811 1.00 0.00 N ATOM 1044 CA LEU A 64 4.783 -1.800 12.968 1.00 0.00 C ATOM 1045 C LEU A 64 3.435 -1.118 12.778 1.00 0.00 C ATOM 1046 O LEU A 64 2.713 -0.860 13.721 1.00 0.00 O ATOM 1047 CB LEU A 64 5.909 -0.763 12.951 1.00 0.00 C ATOM 1048 CG LEU A 64 6.010 -0.129 11.559 1.00 0.00 C ATOM 1049 CD1 LEU A 64 5.278 1.213 11.555 1.00 0.00 C ATOM 1050 CD2 LEU A 64 7.484 0.095 11.209 1.00 0.00 C ATOM 0 H LEU A 64 5.963 -2.521 11.346 1.00 0.00 H new ATOM 0 HA LEU A 64 4.738 -2.344 13.912 1.00 0.00 H new ATOM 0 HB2 LEU A 64 5.718 0.007 13.698 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.855 -1.236 13.215 1.00 0.00 H new ATOM 0 HG LEU A 64 5.556 -0.793 10.823 1.00 0.00 H new ATOM 0 HD11 LEU A 64 5.350 1.664 10.565 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.229 1.056 11.807 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.732 1.877 12.290 1.00 0.00 H new ATOM 0 HD21 LEU A 64 7.559 0.546 10.219 1.00 0.00 H new ATOM 0 HD22 LEU A 64 7.936 0.759 11.945 1.00 0.00 H new ATOM 0 HD23 LEU A 64 8.008 -0.861 11.213 1.00 0.00 H new ATOM 1062 N LEU A 65 3.100 -0.818 11.565 1.00 0.00 N ATOM 1063 CA LEU A 65 1.801 -0.141 11.287 1.00 0.00 C ATOM 1064 C LEU A 65 0.624 -1.060 11.644 1.00 0.00 C ATOM 1065 O LEU A 65 -0.522 -0.661 11.601 1.00 0.00 O ATOM 1066 CB LEU A 65 1.836 0.173 9.775 1.00 0.00 C ATOM 1067 CG LEU A 65 1.198 -0.967 8.955 1.00 0.00 C ATOM 1068 CD1 LEU A 65 1.708 -2.325 9.444 1.00 0.00 C ATOM 1069 CD2 LEU A 65 -0.326 -0.912 9.093 1.00 0.00 C ATOM 0 H LEU A 65 3.670 -1.011 10.742 1.00 0.00 H new ATOM 0 HA LEU A 65 1.666 0.762 11.882 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.305 1.105 9.582 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.867 0.322 9.455 1.00 0.00 H new ATOM 0 HG LEU A 65 1.474 -0.842 7.908 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.249 -3.119 8.856 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.791 -2.369 9.331 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.448 -2.455 10.494 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.773 -1.719 8.512 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.601 -1.024 10.142 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -0.690 0.046 8.723 1.00 0.00 H new ATOM 1081 N ASN A 66 0.900 -2.280 12.005 1.00 0.00 N ATOM 1082 CA ASN A 66 -0.203 -3.219 12.367 1.00 0.00 C ATOM 1083 C ASN A 66 -0.955 -2.703 13.598 1.00 0.00 C ATOM 1084 O ASN A 66 -0.301 -2.379 14.576 1.00 0.00 O ATOM 1085 CB ASN A 66 0.494 -4.546 12.678 1.00 0.00 C ATOM 1086 CG ASN A 66 1.084 -4.500 14.092 1.00 0.00 C ATOM 1087 OD1 ASN A 66 0.490 -5.000 15.026 1.00 0.00 O ATOM 1088 ND2 ASN A 66 2.235 -3.917 14.288 1.00 0.00 N ATOM 1089 OXT ASN A 66 -2.172 -2.642 13.542 1.00 0.00 O ATOM 0 H ASN A 66 1.840 -2.670 12.066 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.938 -3.322 11.568 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.216 -5.369 12.596 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.283 -4.733 11.950 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.636 -3.881 15.225 1.00 0.00 H new ATOM 0 HD22 ASN A 66 2.734 -3.497 13.504 1.00 0.00 H new TER 1096 ASN A 66