USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 571 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 58 GLN : amide:sc= -0.822 K(o=-1.2,f=-17!) USER MOD Set 1.2: A 69 LYS NZ :NH3+ 149:sc= -0.368! (180deg=0) USER MOD Single : A 6 SER OG : rot -126:sc= -1.35 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.223 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.0344 USER MOD Single : A 26 ASN : amide:sc= -0.899 K(o=-0.9,f=-9.5!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -2.8! C(o=-2.8!,f=-12!) USER MOD Single : A 37 SER OG : rot 77:sc= 1.21 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 26:sc= -3.28! USER MOD Single : A 50 THR OG1 : rot -73:sc= 0.367 USER MOD Single : A 57 THR OG1 : rot 113:sc= -4.4! USER MOD Single : A 62 ASN : amide:sc= -0.0601 X(o=-0.06,f=-0.44) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -148:sc= -4.09! USER MOD Single : A 73 GLN :FLIP amide:sc= -0.358 F(o=-2.3,f=-0.36) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 10.579 9.621 -6.384 1.00 0.00 N ATOM 57 CA VAL A 5 9.109 9.432 -6.543 1.00 0.00 C ATOM 58 C VAL A 5 8.853 8.312 -7.553 1.00 0.00 C ATOM 59 O VAL A 5 9.648 8.069 -8.436 1.00 0.00 O ATOM 60 CB VAL A 5 8.480 10.733 -7.036 1.00 0.00 C ATOM 61 CG1 VAL A 5 7.005 10.766 -6.643 1.00 0.00 C ATOM 62 CG2 VAL A 5 9.203 11.914 -6.389 1.00 0.00 C ATOM 0 HA VAL A 5 8.664 9.162 -5.585 1.00 0.00 H new ATOM 0 HB VAL A 5 8.568 10.795 -8.121 1.00 0.00 H new ATOM 0 HG11 VAL A 5 6.555 11.695 -6.995 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.489 9.919 -7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.916 10.708 -5.558 1.00 0.00 H new ATOM 0 HG21 VAL A 5 8.759 12.847 -6.736 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.109 11.849 -5.305 1.00 0.00 H new ATOM 0 HG23 VAL A 5 10.258 11.890 -6.663 1.00 0.00 H new ATOM 72 N SER A 6 7.757 7.614 -7.419 1.00 0.00 N ATOM 73 CA SER A 6 7.473 6.496 -8.364 1.00 0.00 C ATOM 74 C SER A 6 6.470 6.924 -9.436 1.00 0.00 C ATOM 75 O SER A 6 5.317 7.179 -9.156 1.00 0.00 O ATOM 76 CB SER A 6 6.882 5.315 -7.588 1.00 0.00 C ATOM 77 OG SER A 6 7.101 5.513 -6.197 1.00 0.00 O ATOM 0 H SER A 6 7.050 7.768 -6.700 1.00 0.00 H new ATOM 0 HA SER A 6 8.408 6.212 -8.847 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.815 5.228 -7.792 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.345 4.383 -7.912 1.00 0.00 H new ATOM 0 HG SER A 6 7.552 4.728 -5.822 1.00 0.00 H new ATOM 83 N LYS A 7 6.893 6.955 -10.673 1.00 0.00 N ATOM 84 CA LYS A 7 5.951 7.307 -11.770 1.00 0.00 C ATOM 85 C LYS A 7 5.243 6.015 -12.165 1.00 0.00 C ATOM 86 O LYS A 7 5.819 5.152 -12.800 1.00 0.00 O ATOM 87 CB LYS A 7 6.724 7.863 -12.969 1.00 0.00 C ATOM 88 CG LYS A 7 5.738 8.393 -14.013 1.00 0.00 C ATOM 89 CD LYS A 7 6.231 8.023 -15.415 1.00 0.00 C ATOM 90 CE LYS A 7 5.462 8.835 -16.460 1.00 0.00 C ATOM 91 NZ LYS A 7 6.387 9.801 -17.119 1.00 0.00 N ATOM 0 H LYS A 7 7.848 6.752 -10.968 1.00 0.00 H new ATOM 0 HA LYS A 7 5.240 8.068 -11.448 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.392 8.662 -12.646 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.348 7.083 -13.406 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.748 7.971 -13.841 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.643 9.475 -13.923 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.299 8.221 -15.500 1.00 0.00 H new ATOM 0 HD3 LYS A 7 6.089 6.957 -15.592 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.025 8.169 -17.204 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.638 9.369 -15.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.865 10.353 -17.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.784 10.444 -16.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.158 9.281 -17.584 1.00 0.00 H new ATOM 105 N LEU A 8 4.023 5.837 -11.745 1.00 0.00 N ATOM 106 CA LEU A 8 3.330 4.559 -12.053 1.00 0.00 C ATOM 107 C LEU A 8 2.291 4.710 -13.155 1.00 0.00 C ATOM 108 O LEU A 8 1.423 5.560 -13.111 1.00 0.00 O ATOM 109 CB LEU A 8 2.614 4.056 -10.793 1.00 0.00 C ATOM 110 CG LEU A 8 3.607 3.569 -9.723 1.00 0.00 C ATOM 111 CD1 LEU A 8 3.069 2.274 -9.112 1.00 0.00 C ATOM 112 CD2 LEU A 8 4.993 3.305 -10.330 1.00 0.00 C ATOM 0 H LEU A 8 3.481 6.514 -11.207 1.00 0.00 H new ATOM 0 HA LEU A 8 4.091 3.856 -12.392 1.00 0.00 H new ATOM 0 HB2 LEU A 8 2.000 4.857 -10.381 1.00 0.00 H new ATOM 0 HB3 LEU A 8 1.940 3.242 -11.059 1.00 0.00 H new ATOM 0 HG LEU A 8 3.711 4.342 -8.962 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.762 1.915 -8.351 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.097 2.463 -8.657 1.00 0.00 H new ATOM 0 HD13 LEU A 8 2.964 1.520 -9.892 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.673 2.962 -9.550 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.912 2.540 -11.103 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.379 4.225 -10.769 1.00 0.00 H new ATOM 124 N ARG A 9 2.339 3.822 -14.106 1.00 0.00 N ATOM 125 CA ARG A 9 1.321 3.818 -15.184 1.00 0.00 C ATOM 126 C ARG A 9 0.527 2.533 -14.978 1.00 0.00 C ATOM 127 O ARG A 9 1.001 1.451 -15.257 1.00 0.00 O ATOM 128 CB ARG A 9 2.004 3.805 -16.553 1.00 0.00 C ATOM 129 CG ARG A 9 0.944 3.843 -17.655 1.00 0.00 C ATOM 130 CD ARG A 9 1.629 3.829 -19.024 1.00 0.00 C ATOM 131 NE ARG A 9 0.982 4.835 -19.912 1.00 0.00 N ATOM 132 CZ ARG A 9 0.800 4.568 -21.176 1.00 0.00 C ATOM 133 NH1 ARG A 9 -0.364 4.149 -21.593 1.00 0.00 N ATOM 134 NH2 ARG A 9 1.780 4.720 -22.023 1.00 0.00 N ATOM 0 H ARG A 9 3.048 3.093 -14.181 1.00 0.00 H new ATOM 0 HA ARG A 9 0.684 4.702 -15.150 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.671 4.662 -16.646 1.00 0.00 H new ATOM 0 HB3 ARG A 9 2.618 2.910 -16.656 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.277 2.986 -17.562 1.00 0.00 H new ATOM 0 HG3 ARG A 9 0.330 4.738 -17.553 1.00 0.00 H new ATOM 0 HD2 ARG A 9 2.690 4.054 -18.914 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.558 2.836 -19.468 1.00 0.00 H new ATOM 0 HE ARG A 9 0.681 5.732 -19.532 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.131 4.031 -20.931 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -0.507 3.940 -22.581 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.689 5.048 -21.697 1.00 0.00 H new ATOM 0 HH22 ARG A 9 1.637 4.511 -23.011 1.00 0.00 H new ATOM 148 N ILE A 10 -0.652 2.631 -14.438 1.00 0.00 N ATOM 149 CA ILE A 10 -1.430 1.395 -14.158 1.00 0.00 C ATOM 150 C ILE A 10 -2.565 1.251 -15.177 1.00 0.00 C ATOM 151 O ILE A 10 -3.342 2.146 -15.377 1.00 0.00 O ATOM 152 CB ILE A 10 -1.975 1.482 -12.723 1.00 0.00 C ATOM 153 CG1 ILE A 10 -0.919 2.142 -11.809 1.00 0.00 C ATOM 154 CG2 ILE A 10 -2.286 0.076 -12.195 1.00 0.00 C ATOM 155 CD1 ILE A 10 -1.609 2.809 -10.625 1.00 0.00 C ATOM 0 H ILE A 10 -1.109 3.506 -14.180 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.795 0.514 -14.247 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.887 2.078 -12.726 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.211 1.393 -11.455 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.347 2.880 -12.372 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.672 0.146 -11.178 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.032 -0.396 -12.834 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.375 -0.523 -12.197 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.861 3.273 -9.982 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.299 3.571 -10.988 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.161 2.060 -10.057 1.00 0.00 H new ATOM 167 N ARG A 11 -2.650 0.136 -15.844 1.00 0.00 N ATOM 168 CA ARG A 11 -3.718 -0.042 -16.866 1.00 0.00 C ATOM 169 C ARG A 11 -4.838 -0.931 -16.308 1.00 0.00 C ATOM 170 O ARG A 11 -4.618 -1.765 -15.455 1.00 0.00 O ATOM 171 CB ARG A 11 -3.081 -0.673 -18.120 1.00 0.00 C ATOM 172 CG ARG A 11 -3.973 -1.773 -18.711 1.00 0.00 C ATOM 173 CD ARG A 11 -3.702 -3.088 -17.977 1.00 0.00 C ATOM 174 NE ARG A 11 -4.868 -4.002 -18.141 1.00 0.00 N ATOM 175 CZ ARG A 11 -4.821 -4.969 -19.016 1.00 0.00 C ATOM 176 NH1 ARG A 11 -3.819 -5.807 -19.010 1.00 0.00 N ATOM 177 NH2 ARG A 11 -5.776 -5.101 -19.895 1.00 0.00 N ATOM 0 H ARG A 11 -2.025 -0.662 -15.726 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.161 0.919 -17.128 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.909 0.099 -18.870 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -2.108 -1.091 -17.864 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.023 -1.498 -18.614 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.771 -1.889 -19.776 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.801 -3.557 -18.372 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.524 -2.896 -16.919 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.703 -3.872 -17.569 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.073 -5.706 -18.321 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -3.782 -6.563 -19.694 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.560 -4.448 -19.898 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.739 -5.857 -20.579 1.00 0.00 H new ATOM 191 N THR A 12 -6.038 -0.758 -16.799 1.00 0.00 N ATOM 192 CA THR A 12 -7.179 -1.591 -16.318 1.00 0.00 C ATOM 193 C THR A 12 -7.591 -2.559 -17.434 1.00 0.00 C ATOM 194 O THR A 12 -7.004 -2.559 -18.498 1.00 0.00 O ATOM 195 CB THR A 12 -8.370 -0.694 -15.954 1.00 0.00 C ATOM 196 OG1 THR A 12 -9.312 -0.704 -17.018 1.00 0.00 O ATOM 197 CG2 THR A 12 -7.899 0.741 -15.708 1.00 0.00 C ATOM 0 H THR A 12 -6.277 -0.072 -17.515 1.00 0.00 H new ATOM 0 HA THR A 12 -6.874 -2.148 -15.432 1.00 0.00 H new ATOM 0 HB THR A 12 -8.834 -1.076 -15.045 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.074 -0.133 -16.786 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.754 1.366 -15.451 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.181 0.753 -14.888 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.425 1.128 -16.610 1.00 0.00 H new ATOM 205 N PRO A 13 -8.592 -3.357 -17.158 1.00 0.00 N ATOM 206 CA PRO A 13 -9.107 -4.345 -18.122 1.00 0.00 C ATOM 207 C PRO A 13 -10.033 -3.668 -19.137 1.00 0.00 C ATOM 208 O PRO A 13 -10.371 -4.235 -20.158 1.00 0.00 O ATOM 209 CB PRO A 13 -9.884 -5.329 -17.244 1.00 0.00 C ATOM 210 CG PRO A 13 -10.251 -4.565 -15.948 1.00 0.00 C ATOM 211 CD PRO A 13 -9.300 -3.356 -15.862 1.00 0.00 C ATOM 0 HA PRO A 13 -8.322 -4.828 -18.704 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.781 -5.680 -17.755 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -9.280 -6.208 -17.019 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.291 -4.239 -15.973 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -10.139 -5.208 -15.075 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.850 -2.427 -15.710 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.605 -3.455 -15.029 1.00 0.00 H new ATOM 219 N SER A 14 -10.446 -2.460 -18.865 1.00 0.00 N ATOM 220 CA SER A 14 -11.352 -1.752 -19.815 1.00 0.00 C ATOM 221 C SER A 14 -10.527 -0.848 -20.732 1.00 0.00 C ATOM 222 O SER A 14 -11.061 -0.051 -21.478 1.00 0.00 O ATOM 223 CB SER A 14 -12.352 -0.905 -19.028 1.00 0.00 C ATOM 224 OG SER A 14 -13.486 -1.697 -18.703 1.00 0.00 O ATOM 0 H SER A 14 -10.196 -1.933 -18.028 1.00 0.00 H new ATOM 0 HA SER A 14 -11.890 -2.484 -20.418 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.887 -0.525 -18.118 1.00 0.00 H new ATOM 0 HB3 SER A 14 -12.655 -0.039 -19.617 1.00 0.00 H new ATOM 0 HG SER A 14 -14.128 -1.157 -18.197 1.00 0.00 H new ATOM 230 N GLY A 15 -9.228 -0.963 -20.686 1.00 0.00 N ATOM 231 CA GLY A 15 -8.372 -0.110 -21.557 1.00 0.00 C ATOM 232 C GLY A 15 -8.155 1.250 -20.889 1.00 0.00 C ATOM 233 O GLY A 15 -7.772 2.210 -21.526 1.00 0.00 O ATOM 0 H GLY A 15 -8.722 -1.611 -20.082 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.413 -0.598 -21.732 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.844 0.023 -22.530 1.00 0.00 H new ATOM 237 N GLU A 16 -8.394 1.338 -19.609 1.00 0.00 N ATOM 238 CA GLU A 16 -8.198 2.637 -18.904 1.00 0.00 C ATOM 239 C GLU A 16 -6.781 2.697 -18.332 1.00 0.00 C ATOM 240 O GLU A 16 -6.139 1.684 -18.133 1.00 0.00 O ATOM 241 CB GLU A 16 -9.215 2.757 -17.765 1.00 0.00 C ATOM 242 CG GLU A 16 -10.171 3.915 -18.055 1.00 0.00 C ATOM 243 CD GLU A 16 -11.487 3.691 -17.307 1.00 0.00 C ATOM 244 OE1 GLU A 16 -11.556 4.059 -16.146 1.00 0.00 O ATOM 245 OE2 GLU A 16 -12.403 3.155 -17.908 1.00 0.00 O ATOM 0 H GLU A 16 -8.716 0.569 -19.022 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.341 3.458 -19.606 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.774 1.827 -17.663 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.700 2.925 -16.819 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.721 4.858 -17.746 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -10.357 3.987 -19.127 1.00 0.00 H new ATOM 252 N PHE A 17 -6.283 3.873 -18.066 1.00 0.00 N ATOM 253 CA PHE A 17 -4.907 3.988 -17.507 1.00 0.00 C ATOM 254 C PHE A 17 -4.917 4.942 -16.309 1.00 0.00 C ATOM 255 O PHE A 17 -5.318 6.083 -16.412 1.00 0.00 O ATOM 256 CB PHE A 17 -3.959 4.540 -18.575 1.00 0.00 C ATOM 257 CG PHE A 17 -3.205 3.408 -19.237 1.00 0.00 C ATOM 258 CD1 PHE A 17 -2.005 2.934 -18.682 1.00 0.00 C ATOM 259 CD2 PHE A 17 -3.703 2.838 -20.414 1.00 0.00 C ATOM 260 CE1 PHE A 17 -1.310 1.890 -19.308 1.00 0.00 C ATOM 261 CE2 PHE A 17 -3.007 1.795 -21.038 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.812 1.322 -20.484 1.00 0.00 C ATOM 0 H PHE A 17 -6.769 4.758 -18.211 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.568 3.001 -17.191 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.525 5.096 -19.322 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.256 5.239 -18.122 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.618 3.373 -17.774 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.625 3.203 -20.842 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.387 1.524 -18.883 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.392 1.356 -21.946 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.276 0.517 -20.965 1.00 0.00 H new ATOM 272 N LEU A 18 -4.452 4.484 -15.181 1.00 0.00 N ATOM 273 CA LEU A 18 -4.401 5.353 -13.982 1.00 0.00 C ATOM 274 C LEU A 18 -2.990 5.909 -13.864 1.00 0.00 C ATOM 275 O LEU A 18 -2.049 5.194 -13.562 1.00 0.00 O ATOM 276 CB LEU A 18 -4.707 4.563 -12.703 1.00 0.00 C ATOM 277 CG LEU A 18 -5.989 3.745 -12.848 1.00 0.00 C ATOM 278 CD1 LEU A 18 -7.137 4.630 -13.334 1.00 0.00 C ATOM 279 CD2 LEU A 18 -5.755 2.617 -13.842 1.00 0.00 C ATOM 0 H LEU A 18 -4.103 3.536 -15.041 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.145 6.142 -14.091 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.873 3.899 -12.475 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.805 5.251 -11.863 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.258 3.331 -11.876 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.042 4.031 -13.432 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.308 5.431 -12.615 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.880 5.060 -14.302 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.668 2.031 -13.948 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.478 3.036 -14.809 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.951 1.975 -13.481 1.00 0.00 H new ATOM 291 N GLU A 19 -2.838 7.174 -14.087 1.00 0.00 N ATOM 292 CA GLU A 19 -1.487 7.787 -13.968 1.00 0.00 C ATOM 293 C GLU A 19 -1.282 8.156 -12.503 1.00 0.00 C ATOM 294 O GLU A 19 -2.075 8.870 -11.921 1.00 0.00 O ATOM 295 CB GLU A 19 -1.401 9.041 -14.841 1.00 0.00 C ATOM 296 CG GLU A 19 -0.101 9.015 -15.647 1.00 0.00 C ATOM 297 CD GLU A 19 -0.126 7.840 -16.626 1.00 0.00 C ATOM 298 OE1 GLU A 19 -1.210 7.464 -17.042 1.00 0.00 O ATOM 299 OE2 GLU A 19 0.937 7.335 -16.943 1.00 0.00 O ATOM 0 H GLU A 19 -3.587 7.816 -14.347 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.718 7.090 -14.301 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.257 9.088 -15.514 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.437 9.934 -14.217 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.020 9.952 -16.191 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.753 8.924 -14.976 1.00 0.00 H new ATOM 306 N ARG A 20 -0.258 7.646 -11.882 1.00 0.00 N ATOM 307 CA ARG A 20 -0.069 7.951 -10.440 1.00 0.00 C ATOM 308 C ARG A 20 1.392 8.241 -10.111 1.00 0.00 C ATOM 309 O ARG A 20 2.286 7.503 -10.474 1.00 0.00 O ATOM 310 CB ARG A 20 -0.516 6.738 -9.634 1.00 0.00 C ATOM 311 CG ARG A 20 -1.002 7.182 -8.256 1.00 0.00 C ATOM 312 CD ARG A 20 -2.135 8.200 -8.409 1.00 0.00 C ATOM 313 NE ARG A 20 -1.577 9.579 -8.316 1.00 0.00 N ATOM 314 CZ ARG A 20 -2.320 10.606 -8.633 1.00 0.00 C ATOM 315 NH1 ARG A 20 -2.262 11.107 -9.836 1.00 0.00 N ATOM 316 NH2 ARG A 20 -3.122 11.129 -7.746 1.00 0.00 N ATOM 0 H ARG A 20 0.446 7.040 -12.303 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.655 8.836 -10.194 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.315 6.215 -10.160 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.310 6.035 -9.529 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.350 6.319 -7.688 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.178 7.623 -7.694 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -2.636 8.062 -9.367 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.885 8.046 -7.633 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.616 9.721 -8.005 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -1.636 10.697 -10.530 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.842 11.909 -10.083 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.168 10.736 -6.806 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.702 11.931 -7.993 1.00 0.00 H new ATOM 330 N ARG A 21 1.626 9.290 -9.376 1.00 0.00 N ATOM 331 CA ARG A 21 3.011 9.617 -8.955 1.00 0.00 C ATOM 332 C ARG A 21 3.067 9.430 -7.440 1.00 0.00 C ATOM 333 O ARG A 21 2.329 10.056 -6.706 1.00 0.00 O ATOM 334 CB ARG A 21 3.334 11.069 -9.316 1.00 0.00 C ATOM 335 CG ARG A 21 4.846 11.288 -9.241 1.00 0.00 C ATOM 336 CD ARG A 21 5.137 12.779 -9.070 1.00 0.00 C ATOM 337 NE ARG A 21 6.610 12.999 -9.067 1.00 0.00 N ATOM 338 CZ ARG A 21 7.108 14.082 -9.597 1.00 0.00 C ATOM 339 NH1 ARG A 21 7.517 14.074 -10.836 1.00 0.00 N ATOM 340 NH2 ARG A 21 7.194 15.174 -8.888 1.00 0.00 N ATOM 0 H ARG A 21 0.911 9.939 -9.047 1.00 0.00 H new ATOM 0 HA ARG A 21 3.737 8.976 -9.455 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.972 11.295 -10.319 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.823 11.747 -8.633 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.265 10.727 -8.406 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.324 10.915 -10.147 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.675 13.346 -9.878 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.702 13.141 -8.138 1.00 0.00 H new ATOM 0 HE ARG A 21 7.229 12.303 -8.651 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.447 13.221 -11.391 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.906 14.921 -11.250 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.872 15.180 -7.920 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.583 16.021 -9.302 1.00 0.00 H new ATOM 354 N PHE A 22 3.902 8.554 -6.959 1.00 0.00 N ATOM 355 CA PHE A 22 3.950 8.321 -5.489 1.00 0.00 C ATOM 356 C PHE A 22 5.264 8.800 -4.898 1.00 0.00 C ATOM 357 O PHE A 22 6.322 8.592 -5.457 1.00 0.00 O ATOM 358 CB PHE A 22 3.860 6.826 -5.195 1.00 0.00 C ATOM 359 CG PHE A 22 2.659 6.217 -5.848 1.00 0.00 C ATOM 360 CD1 PHE A 22 1.377 6.606 -5.460 1.00 0.00 C ATOM 361 CD2 PHE A 22 2.836 5.249 -6.840 1.00 0.00 C ATOM 362 CE1 PHE A 22 0.267 6.028 -6.072 1.00 0.00 C ATOM 363 CE2 PHE A 22 1.726 4.672 -7.449 1.00 0.00 C ATOM 364 CZ PHE A 22 0.442 5.062 -7.067 1.00 0.00 C ATOM 0 H PHE A 22 4.549 7.993 -7.514 1.00 0.00 H new ATOM 0 HA PHE A 22 3.115 8.868 -5.052 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.762 6.328 -5.550 1.00 0.00 H new ATOM 0 HB3 PHE A 22 3.811 6.667 -4.118 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.246 7.351 -4.689 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.831 4.950 -7.133 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -0.728 6.326 -5.778 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.858 3.923 -8.216 1.00 0.00 H new ATOM 0 HZ PHE A 22 -0.420 4.616 -7.542 1.00 0.00 H new ATOM 374 N LEU A 23 5.215 9.370 -3.730 1.00 0.00 N ATOM 375 CA LEU A 23 6.474 9.776 -3.074 1.00 0.00 C ATOM 376 C LEU A 23 7.169 8.482 -2.669 1.00 0.00 C ATOM 377 O LEU A 23 6.549 7.588 -2.138 1.00 0.00 O ATOM 378 CB LEU A 23 6.172 10.621 -1.833 1.00 0.00 C ATOM 379 CG LEU A 23 7.173 11.775 -1.743 1.00 0.00 C ATOM 380 CD1 LEU A 23 8.597 11.224 -1.828 1.00 0.00 C ATOM 381 CD2 LEU A 23 6.934 12.747 -2.901 1.00 0.00 C ATOM 0 H LEU A 23 4.362 9.569 -3.208 1.00 0.00 H new ATOM 0 HA LEU A 23 7.097 10.377 -3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.155 11.011 -1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.232 10.004 -0.937 1.00 0.00 H new ATOM 0 HG LEU A 23 7.041 12.297 -0.795 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.310 12.046 -1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.768 10.530 -1.005 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.729 10.702 -2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.646 13.570 -2.838 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.066 12.224 -3.848 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.919 13.140 -2.842 1.00 0.00 H new ATOM 393 N ALA A 24 8.427 8.346 -2.941 1.00 0.00 N ATOM 394 CA ALA A 24 9.125 7.074 -2.586 1.00 0.00 C ATOM 395 C ALA A 24 8.703 6.587 -1.189 1.00 0.00 C ATOM 396 O ALA A 24 8.793 5.410 -0.883 1.00 0.00 O ATOM 397 CB ALA A 24 10.633 7.311 -2.612 1.00 0.00 C ATOM 0 H ALA A 24 9.008 9.053 -3.392 1.00 0.00 H new ATOM 0 HA ALA A 24 8.852 6.308 -3.311 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.151 6.387 -2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.934 7.629 -3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.892 8.086 -1.891 1.00 0.00 H new ATOM 403 N SER A 25 8.248 7.471 -0.341 1.00 0.00 N ATOM 404 CA SER A 25 7.829 7.044 1.027 1.00 0.00 C ATOM 405 C SER A 25 6.324 6.759 1.052 1.00 0.00 C ATOM 406 O SER A 25 5.783 6.318 2.047 1.00 0.00 O ATOM 407 CB SER A 25 8.153 8.153 2.027 1.00 0.00 C ATOM 408 OG SER A 25 7.837 9.412 1.449 1.00 0.00 O ATOM 0 H SER A 25 8.148 8.467 -0.535 1.00 0.00 H new ATOM 0 HA SER A 25 8.368 6.136 1.297 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.584 8.008 2.945 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.208 8.118 2.297 1.00 0.00 H new ATOM 0 HG SER A 25 8.042 10.126 2.088 1.00 0.00 H new ATOM 414 N ASN A 26 5.646 7.006 -0.032 1.00 0.00 N ATOM 415 CA ASN A 26 4.178 6.751 -0.078 1.00 0.00 C ATOM 416 C ASN A 26 3.900 5.317 0.371 1.00 0.00 C ATOM 417 O ASN A 26 4.795 4.603 0.784 1.00 0.00 O ATOM 418 CB ASN A 26 3.669 6.947 -1.508 1.00 0.00 C ATOM 419 CG ASN A 26 2.791 8.197 -1.571 1.00 0.00 C ATOM 420 OD1 ASN A 26 3.045 9.094 -2.348 1.00 0.00 O ATOM 421 ND2 ASN A 26 1.757 8.293 -0.779 1.00 0.00 N ATOM 0 H ASN A 26 6.047 7.376 -0.894 1.00 0.00 H new ATOM 0 HA ASN A 26 3.666 7.447 0.586 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.510 7.046 -2.194 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.100 6.073 -1.825 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.163 9.122 -0.814 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.543 7.539 -0.126 1.00 0.00 H new ATOM 428 N LYS A 27 2.669 4.885 0.301 1.00 0.00 N ATOM 429 CA LYS A 27 2.354 3.496 0.736 1.00 0.00 C ATOM 430 C LYS A 27 1.508 2.782 -0.324 1.00 0.00 C ATOM 431 O LYS A 27 0.658 3.366 -0.982 1.00 0.00 O ATOM 432 CB LYS A 27 1.591 3.528 2.065 1.00 0.00 C ATOM 433 CG LYS A 27 1.968 4.788 2.848 1.00 0.00 C ATOM 434 CD LYS A 27 1.221 5.993 2.272 1.00 0.00 C ATOM 435 CE LYS A 27 0.579 6.787 3.410 1.00 0.00 C ATOM 436 NZ LYS A 27 0.671 8.244 3.113 1.00 0.00 N ATOM 0 H LYS A 27 1.875 5.430 -0.036 1.00 0.00 H new ATOM 0 HA LYS A 27 3.289 2.952 0.866 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.517 3.512 1.879 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.826 2.640 2.652 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.718 4.662 3.901 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.044 4.954 2.793 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.909 6.628 1.714 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.456 5.659 1.571 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.464 6.494 3.528 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.081 6.565 4.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.234 8.784 3.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.670 8.517 3.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.173 8.449 2.224 1.00 0.00 H new ATOM 450 N LEU A 28 1.736 1.509 -0.489 1.00 0.00 N ATOM 451 CA LEU A 28 0.956 0.741 -1.495 1.00 0.00 C ATOM 452 C LEU A 28 -0.538 0.930 -1.223 1.00 0.00 C ATOM 453 O LEU A 28 -1.318 1.145 -2.130 1.00 0.00 O ATOM 454 CB LEU A 28 1.297 -0.739 -1.379 1.00 0.00 C ATOM 455 CG LEU A 28 1.581 -1.345 -2.754 1.00 0.00 C ATOM 456 CD1 LEU A 28 2.601 -0.529 -3.538 1.00 0.00 C ATOM 457 CD2 LEU A 28 2.116 -2.755 -2.558 1.00 0.00 C ATOM 0 H LEU A 28 2.429 0.969 0.030 1.00 0.00 H new ATOM 0 HA LEU A 28 1.201 1.097 -2.496 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.167 -0.866 -0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.471 -1.270 -0.907 1.00 0.00 H new ATOM 0 HG LEU A 28 0.652 -1.350 -3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.772 -0.996 -4.508 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.223 0.483 -3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.539 -0.489 -2.984 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.324 -3.203 -3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.034 -2.718 -1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.374 -3.356 -2.033 1.00 0.00 H new ATOM 469 N GLN A 29 -0.950 0.852 0.019 1.00 0.00 N ATOM 470 CA GLN A 29 -2.397 1.029 0.323 1.00 0.00 C ATOM 471 C GLN A 29 -2.871 2.318 -0.340 1.00 0.00 C ATOM 472 O GLN A 29 -3.935 2.366 -0.925 1.00 0.00 O ATOM 473 CB GLN A 29 -2.612 1.110 1.844 1.00 0.00 C ATOM 474 CG GLN A 29 -3.919 1.848 2.160 1.00 0.00 C ATOM 475 CD GLN A 29 -3.602 3.266 2.639 1.00 0.00 C ATOM 476 OE1 GLN A 29 -3.050 4.060 1.902 1.00 0.00 O ATOM 477 NE2 GLN A 29 -3.929 3.620 3.851 1.00 0.00 N ATOM 0 H GLN A 29 -0.351 0.675 0.825 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.965 0.180 -0.058 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.642 0.106 2.268 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.773 1.627 2.309 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.551 1.885 1.273 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.477 1.310 2.927 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.392 2.954 4.469 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.722 4.563 4.180 1.00 0.00 H new ATOM 486 N ILE A 30 -2.093 3.362 -0.272 1.00 0.00 N ATOM 487 CA ILE A 30 -2.529 4.619 -0.925 1.00 0.00 C ATOM 488 C ILE A 30 -2.644 4.358 -2.416 1.00 0.00 C ATOM 489 O ILE A 30 -3.597 4.749 -3.056 1.00 0.00 O ATOM 490 CB ILE A 30 -1.517 5.742 -0.654 1.00 0.00 C ATOM 491 CG1 ILE A 30 -2.307 7.032 -0.415 1.00 0.00 C ATOM 492 CG2 ILE A 30 -0.556 5.922 -1.846 1.00 0.00 C ATOM 493 CD1 ILE A 30 -1.424 8.254 -0.682 1.00 0.00 C ATOM 0 H ILE A 30 -1.189 3.397 0.200 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.492 4.936 -0.524 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.912 5.492 0.217 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.181 7.057 -1.066 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.673 7.057 0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.149 6.723 -1.627 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.010 4.994 -2.016 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.127 6.176 -2.739 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.999 9.163 -0.508 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.564 8.235 -0.012 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.079 8.235 -1.716 1.00 0.00 H new ATOM 505 N VAL A 31 -1.683 3.681 -2.975 1.00 0.00 N ATOM 506 CA VAL A 31 -1.775 3.387 -4.432 1.00 0.00 C ATOM 507 C VAL A 31 -3.105 2.701 -4.679 1.00 0.00 C ATOM 508 O VAL A 31 -3.894 3.092 -5.517 1.00 0.00 O ATOM 509 CB VAL A 31 -0.653 2.452 -4.875 1.00 0.00 C ATOM 510 CG1 VAL A 31 -0.515 2.536 -6.393 1.00 0.00 C ATOM 511 CG2 VAL A 31 0.652 2.875 -4.210 1.00 0.00 C ATOM 0 H VAL A 31 -0.854 3.324 -2.500 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.689 4.317 -4.995 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.882 1.427 -4.584 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.284 1.872 -6.723 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.453 2.236 -6.861 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.278 3.560 -6.681 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.454 2.208 -4.526 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.894 3.897 -4.501 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.542 2.823 -3.127 1.00 0.00 H new ATOM 521 N PHE A 32 -3.345 1.669 -3.939 1.00 0.00 N ATOM 522 CA PHE A 32 -4.613 0.910 -4.091 1.00 0.00 C ATOM 523 C PHE A 32 -5.812 1.851 -3.946 1.00 0.00 C ATOM 524 O PHE A 32 -6.775 1.762 -4.684 1.00 0.00 O ATOM 525 CB PHE A 32 -4.676 -0.157 -2.999 1.00 0.00 C ATOM 526 CG PHE A 32 -3.432 -1.024 -3.047 1.00 0.00 C ATOM 527 CD1 PHE A 32 -2.508 -0.886 -4.093 1.00 0.00 C ATOM 528 CD2 PHE A 32 -3.204 -1.975 -2.041 1.00 0.00 C ATOM 529 CE1 PHE A 32 -1.370 -1.696 -4.131 1.00 0.00 C ATOM 530 CE2 PHE A 32 -2.061 -2.780 -2.082 1.00 0.00 C ATOM 531 CZ PHE A 32 -1.150 -2.643 -3.125 1.00 0.00 C ATOM 0 H PHE A 32 -2.712 1.310 -3.224 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.645 0.448 -5.078 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.761 0.317 -2.021 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.564 -0.774 -3.133 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.676 -0.154 -4.869 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.912 -2.086 -1.233 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.660 -1.591 -4.938 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -1.885 -3.508 -1.304 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.271 -3.269 -3.158 1.00 0.00 H new ATOM 541 N ASP A 33 -5.771 2.747 -2.997 1.00 0.00 N ATOM 542 CA ASP A 33 -6.922 3.676 -2.809 1.00 0.00 C ATOM 543 C ASP A 33 -7.018 4.644 -3.992 1.00 0.00 C ATOM 544 O ASP A 33 -8.082 4.871 -4.538 1.00 0.00 O ATOM 545 CB ASP A 33 -6.724 4.474 -1.518 1.00 0.00 C ATOM 546 CG ASP A 33 -7.893 4.205 -0.567 1.00 0.00 C ATOM 547 OD1 ASP A 33 -8.373 3.084 -0.552 1.00 0.00 O ATOM 548 OD2 ASP A 33 -8.286 5.126 0.128 1.00 0.00 O ATOM 0 H ASP A 33 -4.995 2.876 -2.347 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.842 3.094 -2.749 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.784 4.192 -1.044 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.661 5.539 -1.742 1.00 0.00 H new ATOM 553 N PHE A 34 -5.918 5.222 -4.386 1.00 0.00 N ATOM 554 CA PHE A 34 -5.950 6.184 -5.521 1.00 0.00 C ATOM 555 C PHE A 34 -6.583 5.518 -6.744 1.00 0.00 C ATOM 556 O PHE A 34 -7.475 6.060 -7.366 1.00 0.00 O ATOM 557 CB PHE A 34 -4.505 6.623 -5.837 1.00 0.00 C ATOM 558 CG PHE A 34 -4.067 6.099 -7.193 1.00 0.00 C ATOM 559 CD1 PHE A 34 -4.580 6.668 -8.365 1.00 0.00 C ATOM 560 CD2 PHE A 34 -3.161 5.039 -7.270 1.00 0.00 C ATOM 561 CE1 PHE A 34 -4.180 6.176 -9.612 1.00 0.00 C ATOM 562 CE2 PHE A 34 -2.759 4.546 -8.514 1.00 0.00 C ATOM 563 CZ PHE A 34 -3.270 5.114 -9.687 1.00 0.00 C ATOM 0 H PHE A 34 -4.999 5.070 -3.971 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.546 7.057 -5.256 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.440 7.711 -5.824 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.831 6.254 -5.064 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.283 7.485 -8.306 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.770 4.599 -6.365 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.573 6.615 -10.517 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.056 3.728 -8.570 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.963 4.733 -10.650 1.00 0.00 H new ATOM 573 N VAL A 35 -6.112 4.357 -7.107 1.00 0.00 N ATOM 574 CA VAL A 35 -6.692 3.693 -8.313 1.00 0.00 C ATOM 575 C VAL A 35 -8.160 3.383 -8.058 1.00 0.00 C ATOM 576 O VAL A 35 -9.021 3.763 -8.827 1.00 0.00 O ATOM 577 CB VAL A 35 -5.967 2.373 -8.647 1.00 0.00 C ATOM 578 CG1 VAL A 35 -5.060 2.576 -9.860 1.00 0.00 C ATOM 579 CG2 VAL A 35 -5.124 1.900 -7.460 1.00 0.00 C ATOM 0 H VAL A 35 -5.366 3.846 -6.634 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.574 4.375 -9.155 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.719 1.615 -8.868 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.549 1.642 -10.093 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.660 2.885 -10.716 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.322 3.347 -9.638 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.622 0.968 -7.719 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.379 2.658 -7.218 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.770 1.737 -6.597 1.00 0.00 H new ATOM 589 N ALA A 36 -8.464 2.707 -6.983 1.00 0.00 N ATOM 590 CA ALA A 36 -9.890 2.382 -6.709 1.00 0.00 C ATOM 591 C ALA A 36 -10.710 3.670 -6.707 1.00 0.00 C ATOM 592 O ALA A 36 -11.903 3.657 -6.932 1.00 0.00 O ATOM 593 CB ALA A 36 -10.010 1.662 -5.367 1.00 0.00 C ATOM 0 H ALA A 36 -7.795 2.370 -6.291 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.273 1.722 -7.487 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.056 1.427 -5.172 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.430 0.739 -5.396 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.629 2.305 -4.574 1.00 0.00 H new ATOM 599 N SER A 37 -10.078 4.788 -6.482 1.00 0.00 N ATOM 600 CA SER A 37 -10.828 6.073 -6.499 1.00 0.00 C ATOM 601 C SER A 37 -11.045 6.496 -7.956 1.00 0.00 C ATOM 602 O SER A 37 -11.825 7.382 -8.248 1.00 0.00 O ATOM 603 CB SER A 37 -10.023 7.149 -5.770 1.00 0.00 C ATOM 604 OG SER A 37 -9.975 6.842 -4.382 1.00 0.00 O ATOM 0 H SER A 37 -9.080 4.867 -6.288 1.00 0.00 H new ATOM 0 HA SER A 37 -11.789 5.947 -5.999 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.013 7.202 -6.177 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.480 8.127 -5.922 1.00 0.00 H new ATOM 0 HG SER A 37 -9.325 6.125 -4.228 1.00 0.00 H new ATOM 610 N LYS A 38 -10.348 5.872 -8.872 1.00 0.00 N ATOM 611 CA LYS A 38 -10.495 6.236 -10.309 1.00 0.00 C ATOM 612 C LYS A 38 -11.737 5.558 -10.906 1.00 0.00 C ATOM 613 O LYS A 38 -12.801 6.141 -10.971 1.00 0.00 O ATOM 614 CB LYS A 38 -9.246 5.778 -11.065 1.00 0.00 C ATOM 615 CG LYS A 38 -8.462 7.002 -11.554 1.00 0.00 C ATOM 616 CD LYS A 38 -7.858 7.732 -10.352 1.00 0.00 C ATOM 617 CE LYS A 38 -8.359 9.177 -10.326 1.00 0.00 C ATOM 618 NZ LYS A 38 -7.427 10.042 -11.103 1.00 0.00 N ATOM 0 H LYS A 38 -9.681 5.123 -8.683 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.611 7.316 -10.399 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.619 5.168 -10.415 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.530 5.153 -11.912 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.673 6.692 -12.239 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.120 7.672 -12.107 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.134 7.224 -9.428 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.770 7.715 -10.412 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.362 9.233 -10.750 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.427 9.531 -9.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.768 11.024 -11.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -6.478 9.997 -10.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.383 9.709 -12.087 1.00 0.00 H new ATOM 632 N GLY A 39 -11.608 4.336 -11.355 1.00 0.00 N ATOM 633 CA GLY A 39 -12.778 3.630 -11.962 1.00 0.00 C ATOM 634 C GLY A 39 -13.100 2.363 -11.161 1.00 0.00 C ATOM 635 O GLY A 39 -14.133 1.746 -11.332 1.00 0.00 O ATOM 0 H GLY A 39 -10.743 3.796 -11.328 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.645 4.291 -11.976 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.559 3.370 -12.997 1.00 0.00 H new ATOM 745 N LYS A 46 -6.801 -5.952 -7.169 1.00 0.00 N ATOM 746 CA LYS A 46 -5.353 -6.189 -6.921 1.00 0.00 C ATOM 747 C LYS A 46 -4.605 -5.770 -8.180 1.00 0.00 C ATOM 748 O LYS A 46 -4.960 -6.151 -9.278 1.00 0.00 O ATOM 749 CB LYS A 46 -5.108 -7.674 -6.644 1.00 0.00 C ATOM 750 CG LYS A 46 -5.054 -7.911 -5.134 1.00 0.00 C ATOM 751 CD LYS A 46 -6.476 -8.037 -4.583 1.00 0.00 C ATOM 752 CE LYS A 46 -7.230 -9.121 -5.355 1.00 0.00 C ATOM 753 NZ LYS A 46 -8.372 -9.612 -4.533 1.00 0.00 N ATOM 0 HA LYS A 46 -5.011 -5.619 -6.057 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.903 -8.273 -7.088 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.173 -7.991 -7.106 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.488 -8.817 -4.918 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.535 -7.087 -4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.445 -8.286 -3.522 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -6.997 -7.084 -4.672 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.594 -8.722 -6.302 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -6.559 -9.946 -5.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.885 -10.349 -5.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -8.013 -10.008 -3.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -9.016 -8.822 -4.326 1.00 0.00 H new ATOM 767 N LEU A 47 -3.591 -4.970 -8.043 1.00 0.00 N ATOM 768 CA LEU A 47 -2.855 -4.515 -9.248 1.00 0.00 C ATOM 769 C LEU A 47 -1.673 -5.444 -9.510 1.00 0.00 C ATOM 770 O LEU A 47 -1.105 -6.014 -8.604 1.00 0.00 O ATOM 771 CB LEU A 47 -2.359 -3.093 -9.011 1.00 0.00 C ATOM 772 CG LEU A 47 -3.552 -2.196 -8.694 1.00 0.00 C ATOM 773 CD1 LEU A 47 -3.151 -1.173 -7.633 1.00 0.00 C ATOM 774 CD2 LEU A 47 -3.993 -1.476 -9.968 1.00 0.00 C ATOM 0 H LEU A 47 -3.241 -4.613 -7.154 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.514 -4.534 -10.116 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.646 -3.076 -8.187 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.836 -2.725 -9.893 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.377 -2.800 -8.316 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -4.003 -0.532 -7.406 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.836 -1.692 -6.728 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.328 -0.564 -8.007 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.845 -0.834 -9.746 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.170 -0.869 -10.346 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.278 -2.211 -10.721 1.00 0.00 H new ATOM 786 N LEU A 48 -1.310 -5.609 -10.749 1.00 0.00 N ATOM 787 CA LEU A 48 -0.175 -6.505 -11.088 1.00 0.00 C ATOM 788 C LEU A 48 1.018 -5.657 -11.524 1.00 0.00 C ATOM 789 O LEU A 48 0.948 -4.929 -12.495 1.00 0.00 O ATOM 790 CB LEU A 48 -0.600 -7.439 -12.230 1.00 0.00 C ATOM 791 CG LEU A 48 0.622 -8.136 -12.844 1.00 0.00 C ATOM 792 CD1 LEU A 48 1.303 -7.196 -13.841 1.00 0.00 C ATOM 793 CD2 LEU A 48 1.617 -8.522 -11.745 1.00 0.00 C ATOM 0 H LEU A 48 -1.755 -5.157 -11.548 1.00 0.00 H new ATOM 0 HA LEU A 48 0.107 -7.101 -10.220 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.300 -8.185 -11.855 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.123 -6.869 -12.997 1.00 0.00 H new ATOM 0 HG LEU A 48 0.292 -9.038 -13.359 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.170 -7.693 -14.276 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.601 -6.934 -14.632 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.624 -6.290 -13.326 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.480 -9.016 -12.192 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.944 -7.625 -11.219 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.136 -9.200 -11.040 1.00 0.00 H new ATOM 805 N SER A 49 2.113 -5.745 -10.823 1.00 0.00 N ATOM 806 CA SER A 49 3.300 -4.941 -11.219 1.00 0.00 C ATOM 807 C SER A 49 3.944 -5.606 -12.432 1.00 0.00 C ATOM 808 O SER A 49 4.312 -6.769 -12.395 1.00 0.00 O ATOM 809 CB SER A 49 4.305 -4.878 -10.066 1.00 0.00 C ATOM 810 OG SER A 49 4.144 -6.023 -9.239 1.00 0.00 O ATOM 0 H SER A 49 2.237 -6.334 -10.000 1.00 0.00 H new ATOM 0 HA SER A 49 2.995 -3.923 -11.463 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.322 -4.837 -10.457 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.151 -3.970 -9.483 1.00 0.00 H new ATOM 0 HG SER A 49 3.761 -6.756 -9.765 1.00 0.00 H new ATOM 816 N THR A 50 4.057 -4.882 -13.514 1.00 0.00 N ATOM 817 CA THR A 50 4.642 -5.461 -14.755 1.00 0.00 C ATOM 818 C THR A 50 6.166 -5.540 -14.649 1.00 0.00 C ATOM 819 O THR A 50 6.761 -6.539 -15.004 1.00 0.00 O ATOM 820 CB THR A 50 4.255 -4.582 -15.948 1.00 0.00 C ATOM 821 OG1 THR A 50 4.921 -3.331 -15.848 1.00 0.00 O ATOM 822 CG2 THR A 50 2.740 -4.361 -15.949 1.00 0.00 C ATOM 0 H THR A 50 3.766 -3.907 -13.590 1.00 0.00 H new ATOM 0 HA THR A 50 4.254 -6.470 -14.892 1.00 0.00 H new ATOM 0 HB THR A 50 4.548 -5.075 -16.875 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.513 -2.800 -15.133 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.464 -3.735 -16.798 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.232 -5.322 -16.026 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.444 -3.868 -15.023 1.00 0.00 H new ATOM 830 N PHE A 51 6.811 -4.504 -14.180 1.00 0.00 N ATOM 831 CA PHE A 51 8.298 -4.557 -14.079 1.00 0.00 C ATOM 832 C PHE A 51 8.710 -5.905 -13.476 1.00 0.00 C ATOM 833 O PHE A 51 9.368 -6.688 -14.131 1.00 0.00 O ATOM 834 CB PHE A 51 8.812 -3.403 -13.216 1.00 0.00 C ATOM 835 CG PHE A 51 9.468 -2.368 -14.099 1.00 0.00 C ATOM 836 CD1 PHE A 51 8.697 -1.356 -14.682 1.00 0.00 C ATOM 837 CD2 PHE A 51 10.847 -2.421 -14.333 1.00 0.00 C ATOM 838 CE1 PHE A 51 9.304 -0.397 -15.500 1.00 0.00 C ATOM 839 CE2 PHE A 51 11.455 -1.461 -15.151 1.00 0.00 C ATOM 840 CZ PHE A 51 10.684 -0.450 -15.735 1.00 0.00 C ATOM 0 H PHE A 51 6.379 -3.635 -13.867 1.00 0.00 H new ATOM 0 HA PHE A 51 8.736 -4.457 -15.072 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.988 -2.954 -12.662 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.526 -3.774 -12.481 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.633 -1.315 -14.500 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.442 -3.202 -13.883 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.709 0.384 -15.950 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.519 -1.501 -15.331 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.153 0.290 -16.367 1.00 0.00 H new ATOM 850 N PRO A 52 8.294 -6.158 -12.257 1.00 0.00 N ATOM 851 CA PRO A 52 8.597 -7.427 -11.578 1.00 0.00 C ATOM 852 C PRO A 52 7.618 -8.502 -12.057 1.00 0.00 C ATOM 853 O PRO A 52 7.863 -9.686 -11.931 1.00 0.00 O ATOM 854 CB PRO A 52 8.354 -7.116 -10.101 1.00 0.00 C ATOM 855 CG PRO A 52 7.385 -5.911 -10.067 1.00 0.00 C ATOM 856 CD PRO A 52 7.496 -5.216 -11.439 1.00 0.00 C ATOM 0 HA PRO A 52 9.606 -7.793 -11.770 1.00 0.00 H new ATOM 0 HB2 PRO A 52 7.924 -7.976 -9.588 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.289 -6.878 -9.594 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.363 -6.241 -9.882 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.649 -5.224 -9.263 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.514 -5.040 -11.878 1.00 0.00 H new ATOM 0 HD3 PRO A 52 7.986 -4.246 -11.356 1.00 0.00 H new ATOM 864 N ARG A 53 6.501 -8.088 -12.596 1.00 0.00 N ATOM 865 CA ARG A 53 5.489 -9.070 -13.075 1.00 0.00 C ATOM 866 C ARG A 53 4.947 -9.844 -11.874 1.00 0.00 C ATOM 867 O ARG A 53 4.859 -11.056 -11.892 1.00 0.00 O ATOM 868 CB ARG A 53 6.140 -10.042 -14.061 1.00 0.00 C ATOM 869 CG ARG A 53 5.050 -10.799 -14.822 1.00 0.00 C ATOM 870 CD ARG A 53 5.677 -11.942 -15.625 1.00 0.00 C ATOM 871 NE ARG A 53 4.602 -12.694 -16.333 1.00 0.00 N ATOM 872 CZ ARG A 53 4.907 -13.704 -17.102 1.00 0.00 C ATOM 873 NH1 ARG A 53 5.697 -14.646 -16.662 1.00 0.00 N ATOM 874 NH2 ARG A 53 4.420 -13.774 -18.310 1.00 0.00 N ATOM 0 H ARG A 53 6.247 -7.108 -12.725 1.00 0.00 H new ATOM 0 HA ARG A 53 4.675 -8.547 -13.577 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.776 -9.498 -14.759 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.781 -10.744 -13.527 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.313 -11.195 -14.123 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.522 -10.119 -15.491 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.394 -11.546 -16.344 1.00 0.00 H new ATOM 0 HD3 ARG A 53 6.227 -12.609 -14.961 1.00 0.00 H new ATOM 0 HE ARG A 53 3.627 -12.419 -16.216 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.076 -14.593 -15.717 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.935 -15.435 -17.264 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.801 -13.040 -18.654 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.658 -14.563 -18.911 1.00 0.00 H new ATOM 888 N ARG A 54 4.592 -9.154 -10.823 1.00 0.00 N ATOM 889 CA ARG A 54 4.068 -9.859 -9.618 1.00 0.00 C ATOM 890 C ARG A 54 2.835 -9.133 -9.074 1.00 0.00 C ATOM 891 O ARG A 54 2.567 -7.998 -9.417 1.00 0.00 O ATOM 892 CB ARG A 54 5.154 -9.892 -8.543 1.00 0.00 C ATOM 893 CG ARG A 54 5.343 -8.489 -7.966 1.00 0.00 C ATOM 894 CD ARG A 54 6.759 -8.357 -7.402 1.00 0.00 C ATOM 895 NE ARG A 54 6.775 -8.831 -5.991 1.00 0.00 N ATOM 896 CZ ARG A 54 6.479 -10.071 -5.716 1.00 0.00 C ATOM 897 NH1 ARG A 54 7.422 -10.972 -5.668 1.00 0.00 N ATOM 898 NH2 ARG A 54 5.241 -10.410 -5.488 1.00 0.00 N ATOM 0 H ARG A 54 4.642 -8.138 -10.747 1.00 0.00 H new ATOM 0 HA ARG A 54 3.786 -10.875 -9.893 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.876 -10.588 -7.751 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.091 -10.251 -8.969 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.177 -7.740 -8.740 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.609 -8.305 -7.182 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.457 -8.941 -8.001 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.087 -7.319 -7.452 1.00 0.00 H new ATOM 0 HE ARG A 54 7.018 -8.186 -5.239 1.00 0.00 H new ATOM 0 HH11 ARG A 54 8.391 -10.706 -5.846 1.00 0.00 H new ATOM 0 HH12 ARG A 54 7.190 -11.942 -5.453 1.00 0.00 H new ATOM 0 HH21 ARG A 54 4.504 -9.706 -5.525 1.00 0.00 H new ATOM 0 HH22 ARG A 54 5.009 -11.380 -5.273 1.00 0.00 H new ATOM 912 N ASP A 55 2.086 -9.780 -8.222 1.00 0.00 N ATOM 913 CA ASP A 55 0.874 -9.133 -7.648 1.00 0.00 C ATOM 914 C ASP A 55 1.270 -7.821 -6.969 1.00 0.00 C ATOM 915 O ASP A 55 1.662 -7.804 -5.823 1.00 0.00 O ATOM 916 CB ASP A 55 0.233 -10.068 -6.620 1.00 0.00 C ATOM 917 CG ASP A 55 -1.289 -10.003 -6.751 1.00 0.00 C ATOM 918 OD1 ASP A 55 -1.813 -8.903 -6.804 1.00 0.00 O ATOM 919 OD2 ASP A 55 -1.906 -11.055 -6.796 1.00 0.00 O ATOM 0 H ASP A 55 2.263 -10.731 -7.899 1.00 0.00 H new ATOM 0 HA ASP A 55 0.160 -8.928 -8.445 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.579 -11.090 -6.777 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.535 -9.780 -5.613 1.00 0.00 H new ATOM 924 N VAL A 56 1.156 -6.730 -7.678 1.00 0.00 N ATOM 925 CA VAL A 56 1.508 -5.388 -7.124 1.00 0.00 C ATOM 926 C VAL A 56 2.841 -5.443 -6.372 1.00 0.00 C ATOM 927 O VAL A 56 2.973 -6.058 -5.341 1.00 0.00 O ATOM 928 CB VAL A 56 0.370 -4.873 -6.230 1.00 0.00 C ATOM 929 CG1 VAL A 56 0.592 -5.280 -4.778 1.00 0.00 C ATOM 930 CG2 VAL A 56 0.302 -3.346 -6.324 1.00 0.00 C ATOM 0 H VAL A 56 0.825 -6.712 -8.643 1.00 0.00 H new ATOM 0 HA VAL A 56 1.632 -4.685 -7.948 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.566 -5.312 -6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.227 -4.903 -4.165 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.629 -6.367 -4.706 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.533 -4.861 -4.423 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.505 -2.978 -5.690 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.248 -2.919 -5.992 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.114 -3.053 -7.357 1.00 0.00 H new ATOM 940 N THR A 57 3.816 -4.781 -6.924 1.00 0.00 N ATOM 941 CA THR A 57 5.193 -4.721 -6.342 1.00 0.00 C ATOM 942 C THR A 57 5.283 -5.278 -4.909 1.00 0.00 C ATOM 943 O THR A 57 5.276 -4.542 -3.948 1.00 0.00 O ATOM 944 CB THR A 57 5.655 -3.264 -6.339 1.00 0.00 C ATOM 945 OG1 THR A 57 6.591 -3.072 -5.289 1.00 0.00 O ATOM 946 CG2 THR A 57 4.452 -2.339 -6.135 1.00 0.00 C ATOM 0 H THR A 57 3.714 -4.255 -7.792 1.00 0.00 H new ATOM 0 HA THR A 57 5.832 -5.350 -6.962 1.00 0.00 H new ATOM 0 HB THR A 57 6.125 -3.029 -7.294 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.473 -2.875 -5.669 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.787 -1.302 -6.134 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.737 -2.488 -6.944 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.975 -2.567 -5.182 1.00 0.00 H new ATOM 954 N GLN A 58 5.425 -6.569 -4.775 1.00 0.00 N ATOM 955 CA GLN A 58 5.594 -7.187 -3.414 1.00 0.00 C ATOM 956 C GLN A 58 4.278 -7.291 -2.634 1.00 0.00 C ATOM 957 O GLN A 58 4.213 -7.978 -1.633 1.00 0.00 O ATOM 958 CB GLN A 58 6.587 -6.352 -2.601 1.00 0.00 C ATOM 959 CG GLN A 58 7.769 -7.225 -2.171 1.00 0.00 C ATOM 960 CD GLN A 58 8.347 -7.949 -3.388 1.00 0.00 C ATOM 961 OE1 GLN A 58 8.534 -7.355 -4.431 1.00 0.00 O ATOM 962 NE2 GLN A 58 8.641 -9.217 -3.298 1.00 0.00 N ATOM 0 H GLN A 58 5.432 -7.232 -5.550 1.00 0.00 H new ATOM 0 HA GLN A 58 5.962 -8.201 -3.568 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.942 -5.511 -3.197 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.093 -5.935 -1.723 1.00 0.00 H new ATOM 0 HG2 GLN A 58 8.537 -6.609 -1.704 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.445 -7.950 -1.425 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.484 -9.716 -2.422 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.028 -9.709 -4.103 1.00 0.00 H new ATOM 971 N LEU A 59 3.240 -6.629 -3.048 1.00 0.00 N ATOM 972 CA LEU A 59 1.962 -6.725 -2.288 1.00 0.00 C ATOM 973 C LEU A 59 2.116 -6.038 -0.934 1.00 0.00 C ATOM 974 O LEU A 59 3.043 -5.286 -0.711 1.00 0.00 O ATOM 975 CB LEU A 59 1.590 -8.196 -2.086 1.00 0.00 C ATOM 976 CG LEU A 59 0.455 -8.559 -3.043 1.00 0.00 C ATOM 977 CD1 LEU A 59 0.362 -10.080 -3.176 1.00 0.00 C ATOM 978 CD2 LEU A 59 -0.866 -8.013 -2.496 1.00 0.00 C ATOM 0 H LEU A 59 3.217 -6.029 -3.873 1.00 0.00 H new ATOM 0 HA LEU A 59 1.170 -6.231 -2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.456 -8.832 -2.271 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.282 -8.368 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 59 0.653 -8.122 -4.022 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.448 -10.337 -3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.302 -10.469 -3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.165 -10.519 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.676 -8.271 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.062 -8.450 -1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.801 -6.929 -2.404 1.00 0.00 H new ATOM 990 N ASP A 60 1.205 -6.276 -0.033 1.00 0.00 N ATOM 991 CA ASP A 60 1.291 -5.620 1.300 1.00 0.00 C ATOM 992 C ASP A 60 0.899 -4.149 1.149 1.00 0.00 C ATOM 993 O ASP A 60 1.741 -3.303 0.917 1.00 0.00 O ATOM 994 CB ASP A 60 2.721 -5.718 1.835 1.00 0.00 C ATOM 995 CG ASP A 60 3.275 -7.118 1.562 1.00 0.00 C ATOM 996 OD1 ASP A 60 2.893 -8.033 2.273 1.00 0.00 O ATOM 997 OD2 ASP A 60 4.071 -7.250 0.647 1.00 0.00 O ATOM 0 H ASP A 60 0.405 -6.896 -0.162 1.00 0.00 H new ATOM 0 HA ASP A 60 0.618 -6.115 1.999 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.351 -4.967 1.358 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.735 -5.513 2.905 1.00 0.00 H new ATOM 1002 N PRO A 61 -0.376 -3.888 1.289 1.00 0.00 N ATOM 1003 CA PRO A 61 -0.920 -2.525 1.167 1.00 0.00 C ATOM 1004 C PRO A 61 -0.491 -1.683 2.363 1.00 0.00 C ATOM 1005 O PRO A 61 -0.712 -0.491 2.415 1.00 0.00 O ATOM 1006 CB PRO A 61 -2.437 -2.740 1.142 1.00 0.00 C ATOM 1007 CG PRO A 61 -2.689 -4.122 1.785 1.00 0.00 C ATOM 1008 CD PRO A 61 -1.384 -4.920 1.611 1.00 0.00 C ATOM 0 HA PRO A 61 -0.568 -1.992 0.284 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -2.950 -1.954 1.696 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.817 -2.711 0.121 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.945 -4.020 2.839 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.524 -4.630 1.302 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.124 -5.463 2.520 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.470 -5.657 0.813 1.00 0.00 H new ATOM 1016 N ASN A 62 0.144 -2.298 3.312 1.00 0.00 N ATOM 1017 CA ASN A 62 0.609 -1.548 4.510 1.00 0.00 C ATOM 1018 C ASN A 62 2.094 -1.235 4.355 1.00 0.00 C ATOM 1019 O ASN A 62 2.692 -0.579 5.185 1.00 0.00 O ATOM 1020 CB ASN A 62 0.390 -2.398 5.762 1.00 0.00 C ATOM 1021 CG ASN A 62 0.435 -1.503 7.003 1.00 0.00 C ATOM 1022 OD1 ASN A 62 1.493 -1.243 7.541 1.00 0.00 O ATOM 1023 ND2 ASN A 62 -0.677 -1.018 7.483 1.00 0.00 N ATOM 0 H ASN A 62 0.364 -3.294 3.313 1.00 0.00 H new ATOM 0 HA ASN A 62 0.047 -0.619 4.606 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.571 -2.909 5.704 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.157 -3.169 5.829 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.658 -0.421 8.310 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.565 -1.236 7.032 1.00 0.00 H new ATOM 1030 N LYS A 63 2.697 -1.701 3.296 1.00 0.00 N ATOM 1031 CA LYS A 63 4.141 -1.429 3.087 1.00 0.00 C ATOM 1032 C LYS A 63 4.310 -0.071 2.405 1.00 0.00 C ATOM 1033 O LYS A 63 3.411 0.429 1.755 1.00 0.00 O ATOM 1034 CB LYS A 63 4.742 -2.522 2.200 1.00 0.00 C ATOM 1035 CG LYS A 63 5.199 -3.696 3.069 1.00 0.00 C ATOM 1036 CD LYS A 63 5.801 -4.786 2.180 1.00 0.00 C ATOM 1037 CE LYS A 63 7.327 -4.668 2.190 1.00 0.00 C ATOM 1038 NZ LYS A 63 7.915 -5.774 1.381 1.00 0.00 N ATOM 0 H LYS A 63 2.249 -2.258 2.568 1.00 0.00 H new ATOM 0 HA LYS A 63 4.652 -1.419 4.050 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.004 -2.861 1.473 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.586 -2.124 1.636 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.936 -3.358 3.797 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.355 -4.096 3.632 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.499 -5.770 2.538 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.425 -4.689 1.162 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.631 -3.704 1.783 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.700 -4.713 3.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.952 -5.695 1.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.635 -6.689 1.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.569 -5.710 0.402 1.00 0.00 H new ATOM 1052 N SER A 64 5.464 0.517 2.533 1.00 0.00 N ATOM 1053 CA SER A 64 5.707 1.829 1.881 1.00 0.00 C ATOM 1054 C SER A 64 6.261 1.538 0.492 1.00 0.00 C ATOM 1055 O SER A 64 6.479 0.397 0.144 1.00 0.00 O ATOM 1056 CB SER A 64 6.703 2.654 2.697 1.00 0.00 C ATOM 1057 OG SER A 64 7.979 2.617 2.073 1.00 0.00 O ATOM 0 H SER A 64 6.251 0.144 3.063 1.00 0.00 H new ATOM 0 HA SER A 64 4.786 2.408 1.815 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.357 3.684 2.778 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.772 2.260 3.711 1.00 0.00 H new ATOM 0 HG SER A 64 8.679 2.661 2.757 1.00 0.00 H new ATOM 1063 N LEU A 65 6.445 2.524 -0.332 1.00 0.00 N ATOM 1064 CA LEU A 65 6.920 2.219 -1.702 1.00 0.00 C ATOM 1065 C LEU A 65 8.375 1.775 -1.681 1.00 0.00 C ATOM 1066 O LEU A 65 8.713 0.746 -2.225 1.00 0.00 O ATOM 1067 CB LEU A 65 6.755 3.453 -2.570 1.00 0.00 C ATOM 1068 CG LEU A 65 5.286 3.572 -2.962 1.00 0.00 C ATOM 1069 CD1 LEU A 65 5.115 4.755 -3.894 1.00 0.00 C ATOM 1070 CD2 LEU A 65 4.823 2.297 -3.677 1.00 0.00 C ATOM 0 H LEU A 65 6.291 3.510 -0.122 1.00 0.00 H new ATOM 0 HA LEU A 65 6.328 1.402 -2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.077 4.343 -2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.380 3.377 -3.460 1.00 0.00 H new ATOM 0 HG LEU A 65 4.687 3.713 -2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.067 4.846 -4.178 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.434 5.666 -3.388 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.721 4.605 -4.787 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.773 2.395 -3.952 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.421 2.147 -4.576 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.946 1.442 -3.012 1.00 0.00 H new ATOM 1082 N LEU A 66 9.245 2.506 -1.057 1.00 0.00 N ATOM 1083 CA LEU A 66 10.658 2.050 -1.027 1.00 0.00 C ATOM 1084 C LEU A 66 10.689 0.598 -0.555 1.00 0.00 C ATOM 1085 O LEU A 66 11.410 -0.221 -1.089 1.00 0.00 O ATOM 1086 CB LEU A 66 11.465 2.937 -0.072 1.00 0.00 C ATOM 1087 CG LEU A 66 12.135 4.099 -0.832 1.00 0.00 C ATOM 1088 CD1 LEU A 66 11.431 4.364 -2.172 1.00 0.00 C ATOM 1089 CD2 LEU A 66 12.058 5.362 0.027 1.00 0.00 C ATOM 0 H LEU A 66 9.048 3.383 -0.574 1.00 0.00 H new ATOM 0 HA LEU A 66 11.099 2.121 -2.021 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.809 3.334 0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.226 2.339 0.430 1.00 0.00 H new ATOM 0 HG LEU A 66 13.172 3.830 -1.033 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.925 5.189 -2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.480 3.469 -2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.388 4.623 -1.990 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.529 6.191 -0.501 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.014 5.605 0.225 1.00 0.00 H new ATOM 0 HD23 LEU A 66 12.576 5.192 0.971 1.00 0.00 H new ATOM 1101 N GLU A 67 9.890 0.262 0.418 1.00 0.00 N ATOM 1102 CA GLU A 67 9.872 -1.153 0.891 1.00 0.00 C ATOM 1103 C GLU A 67 9.405 -2.031 -0.261 1.00 0.00 C ATOM 1104 O GLU A 67 9.902 -3.122 -0.466 1.00 0.00 O ATOM 1105 CB GLU A 67 8.915 -1.351 2.080 1.00 0.00 C ATOM 1106 CG GLU A 67 8.521 -0.011 2.692 1.00 0.00 C ATOM 1107 CD GLU A 67 9.781 0.772 3.072 1.00 0.00 C ATOM 1108 OE1 GLU A 67 10.395 0.421 4.065 1.00 0.00 O ATOM 1109 OE2 GLU A 67 10.109 1.709 2.362 1.00 0.00 O ATOM 0 H GLU A 67 9.255 0.896 0.903 1.00 0.00 H new ATOM 0 HA GLU A 67 10.876 -1.419 1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.022 -1.880 1.748 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.393 -1.974 2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.925 0.563 1.983 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.901 -0.171 3.574 1.00 0.00 H new ATOM 1116 N VAL A 68 8.456 -1.564 -1.030 1.00 0.00 N ATOM 1117 CA VAL A 68 7.980 -2.387 -2.173 1.00 0.00 C ATOM 1118 C VAL A 68 8.854 -2.096 -3.406 1.00 0.00 C ATOM 1119 O VAL A 68 8.727 -2.742 -4.422 1.00 0.00 O ATOM 1120 CB VAL A 68 6.483 -2.146 -2.442 1.00 0.00 C ATOM 1121 CG1 VAL A 68 5.768 -1.740 -1.150 1.00 0.00 C ATOM 1122 CG2 VAL A 68 6.266 -1.057 -3.489 1.00 0.00 C ATOM 0 H VAL A 68 7.997 -0.660 -0.916 1.00 0.00 H new ATOM 0 HA VAL A 68 8.079 -3.445 -1.929 1.00 0.00 H new ATOM 0 HB VAL A 68 6.070 -3.081 -2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.711 -1.573 -1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.873 -2.535 -0.411 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.211 -0.823 -0.762 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.197 -0.916 -3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.706 -0.123 -3.139 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.739 -1.353 -4.425 1.00 0.00 H new ATOM 1132 N LYS A 69 9.779 -1.161 -3.283 1.00 0.00 N ATOM 1133 CA LYS A 69 10.749 -0.840 -4.392 1.00 0.00 C ATOM 1134 C LYS A 69 10.181 0.119 -5.446 1.00 0.00 C ATOM 1135 O LYS A 69 10.670 0.167 -6.556 1.00 0.00 O ATOM 1136 CB LYS A 69 11.242 -2.121 -5.080 1.00 0.00 C ATOM 1137 CG LYS A 69 12.132 -2.908 -4.114 1.00 0.00 C ATOM 1138 CD LYS A 69 11.318 -4.021 -3.450 1.00 0.00 C ATOM 1139 CE LYS A 69 10.685 -4.905 -4.526 1.00 0.00 C ATOM 1140 NZ LYS A 69 10.736 -6.328 -4.090 1.00 0.00 N ATOM 0 H LYS A 69 9.904 -0.596 -2.443 1.00 0.00 H new ATOM 0 HA LYS A 69 11.584 -0.331 -3.910 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.393 -2.731 -5.388 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.799 -1.871 -5.983 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.979 -3.335 -4.651 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.540 -2.241 -3.355 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.961 -4.620 -2.805 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.543 -3.590 -2.817 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.652 -4.603 -4.699 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.215 -4.783 -5.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.919 -6.840 -4.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.615 -6.765 -4.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 10.710 -6.374 -3.051 1.00 0.00 H new ATOM 1207 N GLN A 73 9.981 4.300 -12.165 1.00 0.00 N ATOM 1208 CA GLN A 73 8.621 4.253 -12.769 1.00 0.00 C ATOM 1209 C GLN A 73 8.166 2.797 -12.862 1.00 0.00 C ATOM 1210 O GLN A 73 8.941 1.920 -13.183 1.00 0.00 O ATOM 1211 CB GLN A 73 8.665 4.865 -14.171 1.00 0.00 C ATOM 1212 CG GLN A 73 9.616 6.063 -14.175 1.00 0.00 C ATOM 1213 CD GLN A 73 9.767 6.590 -15.603 1.00 0.00 C ATOM 1214 OE1 GLN A 73 8.738 6.566 -16.406 1.00 0.00 O flip ATOM 1215 NE2 GLN A 73 10.832 7.026 -15.993 1.00 0.00 N flip ATOM 0 HA GLN A 73 7.923 4.817 -12.150 1.00 0.00 H new ATOM 0 HB2 GLN A 73 8.998 4.120 -14.894 1.00 0.00 H new ATOM 0 HB3 GLN A 73 7.666 5.179 -14.474 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.231 6.849 -13.525 1.00 0.00 H new ATOM 0 HG3 GLN A 73 10.589 5.770 -13.779 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.636 7.045 -15.366 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.922 7.373 -16.948 1.00 0.00 H new ATOM 1224 N GLU A 74 6.921 2.527 -12.588 1.00 0.00 N ATOM 1225 CA GLU A 74 6.447 1.118 -12.672 1.00 0.00 C ATOM 1226 C GLU A 74 5.058 1.066 -13.314 1.00 0.00 C ATOM 1227 O GLU A 74 4.169 1.821 -12.968 1.00 0.00 O ATOM 1228 CB GLU A 74 6.391 0.512 -11.266 1.00 0.00 C ATOM 1229 CG GLU A 74 7.807 0.155 -10.810 1.00 0.00 C ATOM 1230 CD GLU A 74 7.788 -1.199 -10.098 1.00 0.00 C ATOM 1231 OE1 GLU A 74 6.808 -1.910 -10.245 1.00 0.00 O ATOM 1232 OE2 GLU A 74 8.754 -1.501 -9.417 1.00 0.00 O ATOM 0 H GLU A 74 6.218 3.212 -12.312 1.00 0.00 H new ATOM 0 HA GLU A 74 7.141 0.545 -13.287 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.941 1.220 -10.570 1.00 0.00 H new ATOM 0 HB3 GLU A 74 5.762 -0.378 -11.266 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.478 0.117 -11.668 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.190 0.925 -10.140 1.00 0.00 H new ATOM 1239 N THR A 75 4.859 0.166 -14.239 1.00 0.00 N ATOM 1240 CA THR A 75 3.525 0.049 -14.889 1.00 0.00 C ATOM 1241 C THR A 75 2.754 -1.077 -14.200 1.00 0.00 C ATOM 1242 O THR A 75 3.235 -2.186 -14.080 1.00 0.00 O ATOM 1243 CB THR A 75 3.694 -0.273 -16.377 1.00 0.00 C ATOM 1244 OG1 THR A 75 4.541 0.697 -16.977 1.00 0.00 O ATOM 1245 CG2 THR A 75 2.325 -0.252 -17.065 1.00 0.00 C ATOM 0 H THR A 75 5.563 -0.493 -14.572 1.00 0.00 H new ATOM 0 HA THR A 75 2.981 0.989 -14.798 1.00 0.00 H new ATOM 0 HB THR A 75 4.139 -1.262 -16.486 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.651 0.491 -17.929 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.446 -0.481 -18.124 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.675 -0.996 -16.605 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.878 0.736 -16.957 1.00 0.00 H new ATOM 1253 N LEU A 76 1.575 -0.798 -13.725 1.00 0.00 N ATOM 1254 CA LEU A 76 0.788 -1.848 -13.020 1.00 0.00 C ATOM 1255 C LEU A 76 -0.467 -2.196 -13.823 1.00 0.00 C ATOM 1256 O LEU A 76 -0.870 -1.469 -14.703 1.00 0.00 O ATOM 1257 CB LEU A 76 0.384 -1.328 -11.641 1.00 0.00 C ATOM 1258 CG LEU A 76 1.214 -2.029 -10.570 1.00 0.00 C ATOM 1259 CD1 LEU A 76 1.540 -1.049 -9.443 1.00 0.00 C ATOM 1260 CD2 LEU A 76 0.415 -3.201 -10.008 1.00 0.00 C ATOM 0 H LEU A 76 1.120 0.112 -13.794 1.00 0.00 H new ATOM 0 HA LEU A 76 1.398 -2.745 -12.915 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.538 -0.250 -11.588 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.677 -1.508 -11.469 1.00 0.00 H new ATOM 0 HG LEU A 76 2.144 -2.391 -11.009 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.133 -1.555 -8.681 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.106 -0.208 -9.844 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.614 -0.684 -8.999 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.002 -3.707 -9.242 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.513 -2.832 -9.570 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.184 -3.902 -10.810 1.00 0.00 H new ATOM 1272 N PHE A 77 -1.088 -3.303 -13.523 1.00 0.00 N ATOM 1273 CA PHE A 77 -2.325 -3.693 -14.263 1.00 0.00 C ATOM 1274 C PHE A 77 -3.448 -3.952 -13.250 1.00 0.00 C ATOM 1275 O PHE A 77 -3.206 -4.405 -12.155 1.00 0.00 O ATOM 1276 CB PHE A 77 -2.059 -4.965 -15.075 1.00 0.00 C ATOM 1277 CG PHE A 77 -1.104 -4.672 -16.213 1.00 0.00 C ATOM 1278 CD1 PHE A 77 -1.082 -3.405 -16.817 1.00 0.00 C ATOM 1279 CD2 PHE A 77 -0.241 -5.676 -16.670 1.00 0.00 C ATOM 1280 CE1 PHE A 77 -0.199 -3.148 -17.872 1.00 0.00 C ATOM 1281 CE2 PHE A 77 0.641 -5.416 -17.727 1.00 0.00 C ATOM 1282 CZ PHE A 77 0.663 -4.153 -18.327 1.00 0.00 C ATOM 0 H PHE A 77 -0.793 -3.956 -12.797 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.618 -2.892 -14.942 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.640 -5.736 -14.429 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.997 -5.355 -15.470 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.746 -2.629 -16.468 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.255 -6.652 -16.207 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.183 -2.173 -18.336 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.305 -6.192 -18.079 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.344 -3.953 -19.141 1.00 0.00 H new ATOM 1292 N LEU A 78 -4.674 -3.665 -13.595 1.00 0.00 N ATOM 1293 CA LEU A 78 -5.781 -3.900 -12.620 1.00 0.00 C ATOM 1294 C LEU A 78 -6.247 -5.355 -12.720 1.00 0.00 C ATOM 1295 O LEU A 78 -6.557 -5.849 -13.787 1.00 0.00 O ATOM 1296 CB LEU A 78 -6.954 -2.962 -12.935 1.00 0.00 C ATOM 1297 CG LEU A 78 -7.474 -2.317 -11.644 1.00 0.00 C ATOM 1298 CD1 LEU A 78 -7.344 -0.800 -11.740 1.00 0.00 C ATOM 1299 CD2 LEU A 78 -8.953 -2.656 -11.446 1.00 0.00 C ATOM 0 H LEU A 78 -4.956 -3.283 -14.498 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.423 -3.701 -11.610 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.634 -2.189 -13.634 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.755 -3.519 -13.421 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.888 -2.697 -10.807 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.714 -0.344 -10.822 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.297 -0.533 -11.881 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -7.928 -0.438 -12.586 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.312 -2.193 -10.527 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.529 -2.279 -12.291 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.073 -3.737 -11.379 1.00 0.00 H new ATOM 1311 N GLU A 79 -6.311 -6.040 -11.610 1.00 0.00 N ATOM 1312 CA GLU A 79 -6.769 -7.460 -11.626 1.00 0.00 C ATOM 1313 C GLU A 79 -7.797 -7.645 -10.512 1.00 0.00 C ATOM 1314 O GLU A 79 -7.530 -7.370 -9.360 1.00 0.00 O ATOM 1315 CB GLU A 79 -5.577 -8.391 -11.386 1.00 0.00 C ATOM 1316 CG GLU A 79 -5.822 -9.727 -12.090 1.00 0.00 C ATOM 1317 CD GLU A 79 -6.000 -10.828 -11.044 1.00 0.00 C ATOM 1318 OE1 GLU A 79 -5.040 -11.122 -10.349 1.00 0.00 O ATOM 1319 OE2 GLU A 79 -7.095 -11.361 -10.954 1.00 0.00 O ATOM 0 H GLU A 79 -6.065 -5.676 -10.689 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.213 -7.700 -12.592 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.662 -7.932 -11.762 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.437 -8.552 -10.317 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.709 -9.661 -12.719 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -4.984 -9.965 -12.745 1.00 0.00 H new