USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 491 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 16 MET CE :methyl -173:sc= -0.244 (180deg=-0.248) USER MOD Set 1.2: A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 9 CYS SG : rot 41:sc= -2.12! USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.125 X(o=-0.13,f=-0.017) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HD1:sc= -0.0588 X(o=-0.059,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot -114:sc= -3.8! USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.153 K(o=-0.15,f=-0.91) USER MOD Single : A 42 LYS NZ :NH3+ -169:sc= 0.28 (180deg=0.0237) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0012 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.0896 USER MOD Single : A 48 LYS NZ :NH3+ -151:sc= -0.0317 (180deg=-1.01) USER MOD Single : A 60 GLN : amide:sc= -0.237 K(o=-0.24,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 41 N LEU A 4 7.392 -5.230 -8.276 1.00 0.00 N ATOM 42 CA LEU A 4 8.470 -6.192 -8.476 1.00 0.00 C ATOM 43 C LEU A 4 9.652 -5.546 -9.191 1.00 0.00 C ATOM 44 O LEU A 4 9.576 -5.234 -10.380 1.00 0.00 O ATOM 45 CB LEU A 4 7.967 -7.392 -9.280 1.00 0.00 C ATOM 46 CG LEU A 4 6.908 -8.260 -8.599 1.00 0.00 C ATOM 47 CD1 LEU A 4 5.512 -7.747 -8.916 1.00 0.00 C ATOM 48 CD2 LEU A 4 7.054 -9.713 -9.027 1.00 0.00 C ATOM 0 HA LEU A 4 8.805 -6.533 -7.496 1.00 0.00 H new ATOM 0 HB2 LEU A 4 7.558 -7.027 -10.222 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.821 -8.023 -9.527 1.00 0.00 H new ATOM 0 HG LEU A 4 7.057 -8.202 -7.521 1.00 0.00 H new ATOM 0 HD11 LEU A 4 4.772 -8.377 -8.423 1.00 0.00 H new ATOM 0 HD12 LEU A 4 5.411 -6.722 -8.559 1.00 0.00 H new ATOM 0 HD13 LEU A 4 5.351 -7.773 -9.994 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.292 -10.316 -8.533 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.932 -9.788 -10.108 1.00 0.00 H new ATOM 0 HD23 LEU A 4 8.043 -10.077 -8.748 1.00 0.00 H new ATOM 60 N ARG A 5 10.744 -5.349 -8.460 1.00 0.00 N ATOM 61 CA ARG A 5 11.943 -4.741 -9.025 1.00 0.00 C ATOM 62 C ARG A 5 13.165 -5.621 -8.782 1.00 0.00 C ATOM 63 O ARG A 5 13.178 -6.446 -7.868 1.00 0.00 O ATOM 64 CB ARG A 5 12.170 -3.355 -8.420 1.00 0.00 C ATOM 65 CG ARG A 5 12.313 -3.366 -6.907 1.00 0.00 C ATOM 66 CD ARG A 5 13.753 -3.617 -6.486 1.00 0.00 C ATOM 67 NE ARG A 5 14.000 -3.200 -5.108 1.00 0.00 N ATOM 68 CZ ARG A 5 14.120 -1.930 -4.735 1.00 0.00 C ATOM 69 NH1 ARG A 5 14.015 -0.960 -5.632 1.00 0.00 N ATOM 70 NH2 ARG A 5 14.345 -1.630 -3.463 1.00 0.00 N ATOM 0 H ARG A 5 10.823 -5.602 -7.475 1.00 0.00 H new ATOM 0 HA ARG A 5 11.798 -4.641 -10.101 1.00 0.00 H new ATOM 0 HB2 ARG A 5 13.068 -2.920 -8.858 1.00 0.00 H new ATOM 0 HB3 ARG A 5 11.336 -2.708 -8.693 1.00 0.00 H new ATOM 0 HG2 ARG A 5 11.975 -2.412 -6.501 1.00 0.00 H new ATOM 0 HG3 ARG A 5 11.669 -4.138 -6.485 1.00 0.00 H new ATOM 0 HD2 ARG A 5 13.982 -4.678 -6.591 1.00 0.00 H new ATOM 0 HD3 ARG A 5 14.425 -3.079 -7.154 1.00 0.00 H new ATOM 0 HE ARG A 5 14.085 -3.923 -4.393 1.00 0.00 H new ATOM 0 HH11 ARG A 5 13.842 -1.187 -6.611 1.00 0.00 H new ATOM 0 HH12 ARG A 5 14.107 0.014 -5.343 1.00 0.00 H new ATOM 0 HH21 ARG A 5 14.426 -2.374 -2.770 1.00 0.00 H new ATOM 0 HH22 ARG A 5 14.437 -0.655 -3.178 1.00 0.00 H new ATOM 84 N VAL A 6 14.193 -5.439 -9.606 1.00 0.00 N ATOM 85 CA VAL A 6 15.420 -6.216 -9.480 1.00 0.00 C ATOM 86 C VAL A 6 16.075 -5.992 -8.121 1.00 0.00 C ATOM 87 O VAL A 6 16.156 -4.863 -7.638 1.00 0.00 O ATOM 88 CB VAL A 6 16.428 -5.856 -10.588 1.00 0.00 C ATOM 89 CG1 VAL A 6 15.791 -6.015 -11.961 1.00 0.00 C ATOM 90 CG2 VAL A 6 16.950 -4.441 -10.395 1.00 0.00 C ATOM 0 H VAL A 6 14.200 -4.760 -10.367 1.00 0.00 H new ATOM 0 HA VAL A 6 15.142 -7.265 -9.578 1.00 0.00 H new ATOM 0 HB VAL A 6 17.273 -6.542 -10.523 1.00 0.00 H new ATOM 0 HG11 VAL A 6 16.518 -5.756 -12.731 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.471 -7.048 -12.096 1.00 0.00 H new ATOM 0 HG13 VAL A 6 14.928 -5.354 -12.040 1.00 0.00 H new ATOM 0 HG21 VAL A 6 17.661 -4.204 -11.187 1.00 0.00 H new ATOM 0 HG22 VAL A 6 16.118 -3.738 -10.432 1.00 0.00 H new ATOM 0 HG23 VAL A 6 17.446 -4.365 -9.427 1.00 0.00 H new ATOM 100 N GLY A 7 16.543 -7.076 -7.510 1.00 0.00 N ATOM 101 CA GLY A 7 17.186 -6.977 -6.213 1.00 0.00 C ATOM 102 C GLY A 7 16.250 -7.331 -5.074 1.00 0.00 C ATOM 103 O GLY A 7 16.695 -7.629 -3.964 1.00 0.00 O ATOM 0 H GLY A 7 16.488 -8.021 -7.890 1.00 0.00 H new ATOM 0 HA2 GLY A 7 18.051 -7.640 -6.188 1.00 0.00 H new ATOM 0 HA3 GLY A 7 17.558 -5.962 -6.072 1.00 0.00 H new ATOM 107 N LEU A 8 14.950 -7.298 -5.346 1.00 0.00 N ATOM 108 CA LEU A 8 13.949 -7.617 -4.335 1.00 0.00 C ATOM 109 C LEU A 8 14.203 -8.995 -3.731 1.00 0.00 C ATOM 110 O LEU A 8 13.855 -9.253 -2.578 1.00 0.00 O ATOM 111 CB LEU A 8 12.546 -7.566 -4.943 1.00 0.00 C ATOM 112 CG LEU A 8 12.114 -8.799 -5.738 1.00 0.00 C ATOM 113 CD1 LEU A 8 11.375 -9.780 -4.841 1.00 0.00 C ATOM 114 CD2 LEU A 8 11.245 -8.394 -6.920 1.00 0.00 C ATOM 0 H LEU A 8 14.565 -7.054 -6.258 1.00 0.00 H new ATOM 0 HA LEU A 8 14.022 -6.874 -3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 8 11.828 -7.408 -4.138 1.00 0.00 H new ATOM 0 HB3 LEU A 8 12.487 -6.697 -5.598 1.00 0.00 H new ATOM 0 HG LEU A 8 13.007 -9.292 -6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.075 -10.651 -5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 8 12.030 -10.095 -4.029 1.00 0.00 H new ATOM 0 HD13 LEU A 8 10.489 -9.298 -4.427 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.947 -9.284 -7.474 1.00 0.00 H new ATOM 0 HD22 LEU A 8 10.356 -7.877 -6.558 1.00 0.00 H new ATOM 0 HD23 LEU A 8 11.809 -7.730 -7.576 1.00 0.00 H new ATOM 126 N CYS A 9 14.814 -9.875 -4.517 1.00 0.00 N ATOM 127 CA CYS A 9 15.117 -11.227 -4.059 1.00 0.00 C ATOM 128 C CYS A 9 16.212 -11.857 -4.913 1.00 0.00 C ATOM 129 O CYS A 9 16.486 -11.426 -6.034 1.00 0.00 O ATOM 130 CB CYS A 9 13.859 -12.095 -4.100 1.00 0.00 C ATOM 131 SG CYS A 9 13.005 -12.233 -2.513 1.00 0.00 S ATOM 0 H CYS A 9 15.109 -9.677 -5.473 1.00 0.00 H new ATOM 0 HA CYS A 9 15.474 -11.165 -3.031 1.00 0.00 H new ATOM 0 HB2 CYS A 9 13.170 -11.682 -4.837 1.00 0.00 H new ATOM 0 HB3 CYS A 9 14.131 -13.094 -4.442 1.00 0.00 H new ATOM 0 HG CYS A 9 12.997 -11.075 -1.923 1.00 0.00 H new ATOM 137 N PRO A 10 16.857 -12.901 -4.372 1.00 0.00 N ATOM 138 CA PRO A 10 17.935 -13.612 -5.067 1.00 0.00 C ATOM 139 C PRO A 10 17.425 -14.418 -6.257 1.00 0.00 C ATOM 140 O PRO A 10 18.009 -14.383 -7.339 1.00 0.00 O ATOM 141 CB PRO A 10 18.496 -14.545 -3.991 1.00 0.00 C ATOM 142 CG PRO A 10 17.365 -14.753 -3.043 1.00 0.00 C ATOM 143 CD PRO A 10 16.584 -13.468 -3.041 1.00 0.00 C ATOM 0 HA PRO A 10 18.673 -12.926 -5.483 1.00 0.00 H new ATOM 0 HB2 PRO A 10 18.831 -15.489 -4.421 1.00 0.00 H new ATOM 0 HB3 PRO A 10 19.356 -14.100 -3.490 1.00 0.00 H new ATOM 0 HG2 PRO A 10 16.740 -15.589 -3.358 1.00 0.00 H new ATOM 0 HG3 PRO A 10 17.732 -14.988 -2.044 1.00 0.00 H new ATOM 0 HD2 PRO A 10 15.519 -13.645 -2.890 1.00 0.00 H new ATOM 0 HD3 PRO A 10 16.912 -12.800 -2.245 1.00 0.00 H new ATOM 151 N GLY A 11 16.330 -15.144 -6.049 1.00 0.00 N ATOM 152 CA GLY A 11 15.760 -15.948 -7.114 1.00 0.00 C ATOM 153 C GLY A 11 15.329 -15.113 -8.303 1.00 0.00 C ATOM 154 O GLY A 11 15.696 -15.406 -9.442 1.00 0.00 O ATOM 0 H GLY A 11 15.828 -15.189 -5.162 1.00 0.00 H new ATOM 0 HA2 GLY A 11 16.492 -16.687 -7.439 1.00 0.00 H new ATOM 0 HA3 GLY A 11 14.901 -16.498 -6.730 1.00 0.00 H new ATOM 158 N LEU A 12 14.547 -14.072 -8.041 1.00 0.00 N ATOM 159 CA LEU A 12 14.064 -13.192 -9.100 1.00 0.00 C ATOM 160 C LEU A 12 15.217 -12.422 -9.736 1.00 0.00 C ATOM 161 O LEU A 12 16.065 -11.864 -9.039 1.00 0.00 O ATOM 162 CB LEU A 12 13.027 -12.214 -8.544 1.00 0.00 C ATOM 163 CG LEU A 12 11.602 -12.753 -8.408 1.00 0.00 C ATOM 164 CD1 LEU A 12 10.749 -11.802 -7.584 1.00 0.00 C ATOM 165 CD2 LEU A 12 10.983 -12.974 -9.781 1.00 0.00 C ATOM 0 H LEU A 12 14.234 -13.816 -7.105 1.00 0.00 H new ATOM 0 HA LEU A 12 13.597 -13.809 -9.867 1.00 0.00 H new ATOM 0 HB2 LEU A 12 13.363 -11.879 -7.563 1.00 0.00 H new ATOM 0 HB3 LEU A 12 13.002 -11.336 -9.189 1.00 0.00 H new ATOM 0 HG LEU A 12 11.644 -13.712 -7.891 1.00 0.00 H new ATOM 0 HD11 LEU A 12 9.739 -12.202 -7.498 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.182 -11.693 -6.590 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.714 -10.828 -8.073 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.969 -13.358 -9.666 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.954 -12.029 -10.323 1.00 0.00 H new ATOM 0 HD23 LEU A 12 11.582 -13.694 -10.339 1.00 0.00 H new ATOM 177 N THR A 13 15.241 -12.393 -11.065 1.00 0.00 N ATOM 178 CA THR A 13 16.288 -11.690 -11.795 1.00 0.00 C ATOM 179 C THR A 13 15.700 -10.607 -12.694 1.00 0.00 C ATOM 180 O THR A 13 14.487 -10.541 -12.888 1.00 0.00 O ATOM 181 CB THR A 13 17.120 -12.659 -12.656 1.00 0.00 C ATOM 182 OG1 THR A 13 16.276 -13.317 -13.608 1.00 0.00 O ATOM 183 CG2 THR A 13 17.815 -13.695 -11.786 1.00 0.00 C ATOM 0 H THR A 13 14.547 -12.849 -11.657 1.00 0.00 H new ATOM 0 HA THR A 13 16.936 -11.228 -11.050 1.00 0.00 H new ATOM 0 HB THR A 13 17.880 -12.081 -13.183 1.00 0.00 H new ATOM 0 HG1 THR A 13 16.813 -13.930 -14.153 1.00 0.00 H new ATOM 0 HG21 THR A 13 18.396 -14.368 -12.416 1.00 0.00 H new ATOM 0 HG22 THR A 13 18.479 -13.193 -11.082 1.00 0.00 H new ATOM 0 HG23 THR A 13 17.069 -14.268 -11.235 1.00 0.00 H new ATOM 191 N GLU A 14 16.568 -9.761 -13.239 1.00 0.00 N ATOM 192 CA GLU A 14 16.133 -8.681 -14.117 1.00 0.00 C ATOM 193 C GLU A 14 15.382 -9.232 -15.326 1.00 0.00 C ATOM 194 O GLU A 14 14.526 -8.557 -15.897 1.00 0.00 O ATOM 195 CB GLU A 14 17.335 -7.857 -14.582 1.00 0.00 C ATOM 196 CG GLU A 14 16.971 -6.743 -15.550 1.00 0.00 C ATOM 197 CD GLU A 14 17.889 -5.542 -15.429 1.00 0.00 C ATOM 198 OE1 GLU A 14 17.729 -4.769 -14.461 1.00 0.00 O ATOM 199 OE2 GLU A 14 18.766 -5.375 -16.302 1.00 0.00 O ATOM 0 H GLU A 14 17.576 -9.802 -13.088 1.00 0.00 H new ATOM 0 HA GLU A 14 15.457 -8.038 -13.553 1.00 0.00 H new ATOM 0 HB2 GLU A 14 17.827 -7.424 -13.711 1.00 0.00 H new ATOM 0 HB3 GLU A 14 18.057 -8.520 -15.059 1.00 0.00 H new ATOM 0 HG2 GLU A 14 17.012 -7.125 -16.570 1.00 0.00 H new ATOM 0 HG3 GLU A 14 15.943 -6.430 -15.368 1.00 0.00 H new ATOM 206 N GLU A 15 15.710 -10.462 -15.708 1.00 0.00 N ATOM 207 CA GLU A 15 15.067 -11.103 -16.850 1.00 0.00 C ATOM 208 C GLU A 15 13.600 -11.400 -16.552 1.00 0.00 C ATOM 209 O GLU A 15 12.731 -11.200 -17.401 1.00 0.00 O ATOM 210 CB GLU A 15 15.797 -12.398 -17.214 1.00 0.00 C ATOM 211 CG GLU A 15 16.930 -12.199 -18.206 1.00 0.00 C ATOM 212 CD GLU A 15 17.830 -13.415 -18.315 1.00 0.00 C ATOM 213 OE1 GLU A 15 17.398 -14.421 -18.916 1.00 0.00 O ATOM 214 OE2 GLU A 15 18.966 -13.360 -17.799 1.00 0.00 O ATOM 0 H GLU A 15 16.416 -11.034 -15.245 1.00 0.00 H new ATOM 0 HA GLU A 15 15.117 -10.416 -17.695 1.00 0.00 H new ATOM 0 HB2 GLU A 15 16.196 -12.848 -16.305 1.00 0.00 H new ATOM 0 HB3 GLU A 15 15.080 -13.105 -17.631 1.00 0.00 H new ATOM 0 HG2 GLU A 15 16.513 -11.971 -19.187 1.00 0.00 H new ATOM 0 HG3 GLU A 15 17.525 -11.337 -17.904 1.00 0.00 H new ATOM 221 N MET A 16 13.333 -11.878 -15.341 1.00 0.00 N ATOM 222 CA MET A 16 11.971 -12.202 -14.931 1.00 0.00 C ATOM 223 C MET A 16 11.093 -10.955 -14.931 1.00 0.00 C ATOM 224 O MET A 16 9.890 -11.032 -15.185 1.00 0.00 O ATOM 225 CB MET A 16 11.973 -12.839 -13.540 1.00 0.00 C ATOM 226 CG MET A 16 11.971 -14.359 -13.568 1.00 0.00 C ATOM 227 SD MET A 16 13.005 -15.078 -12.278 1.00 0.00 S ATOM 228 CE MET A 16 11.990 -16.461 -11.762 1.00 0.00 C ATOM 0 H MET A 16 14.041 -12.050 -14.627 1.00 0.00 H new ATOM 0 HA MET A 16 11.561 -12.913 -15.648 1.00 0.00 H new ATOM 0 HB2 MET A 16 12.851 -12.495 -12.993 1.00 0.00 H new ATOM 0 HB3 MET A 16 11.098 -12.493 -12.989 1.00 0.00 H new ATOM 0 HG2 MET A 16 10.949 -14.719 -13.452 1.00 0.00 H new ATOM 0 HG3 MET A 16 12.321 -14.701 -14.542 1.00 0.00 H new ATOM 0 HE1 MET A 16 12.435 -16.932 -10.885 1.00 0.00 H new ATOM 0 HE2 MET A 16 10.990 -16.106 -11.515 1.00 0.00 H new ATOM 0 HE3 MET A 16 11.927 -17.188 -12.572 1.00 0.00 H new ATOM 238 N ILE A 17 11.700 -9.808 -14.645 1.00 0.00 N ATOM 239 CA ILE A 17 10.972 -8.546 -14.614 1.00 0.00 C ATOM 240 C ILE A 17 10.389 -8.213 -15.983 1.00 0.00 C ATOM 241 O ILE A 17 9.257 -7.741 -16.088 1.00 0.00 O ATOM 242 CB ILE A 17 11.876 -7.386 -14.157 1.00 0.00 C ATOM 243 CG1 ILE A 17 12.629 -7.769 -12.882 1.00 0.00 C ATOM 244 CG2 ILE A 17 11.051 -6.127 -13.935 1.00 0.00 C ATOM 245 CD1 ILE A 17 11.722 -8.206 -11.753 1.00 0.00 C ATOM 0 H ILE A 17 12.694 -9.727 -14.431 1.00 0.00 H new ATOM 0 HA ILE A 17 10.160 -8.668 -13.897 1.00 0.00 H new ATOM 0 HB ILE A 17 12.607 -7.184 -14.940 1.00 0.00 H new ATOM 0 HG12 ILE A 17 13.326 -8.575 -13.110 1.00 0.00 H new ATOM 0 HG13 ILE A 17 13.223 -6.917 -12.551 1.00 0.00 H new ATOM 0 HG21 ILE A 17 11.704 -5.316 -13.612 1.00 0.00 H new ATOM 0 HG22 ILE A 17 10.557 -5.847 -14.865 1.00 0.00 H new ATOM 0 HG23 ILE A 17 10.300 -6.315 -13.168 1.00 0.00 H new ATOM 0 HD11 ILE A 17 12.324 -8.462 -10.881 1.00 0.00 H new ATOM 0 HD12 ILE A 17 11.041 -7.394 -11.498 1.00 0.00 H new ATOM 0 HD13 ILE A 17 11.146 -9.077 -12.065 1.00 0.00 H new ATOM 257 N GLN A 18 11.169 -8.464 -17.029 1.00 0.00 N ATOM 258 CA GLN A 18 10.729 -8.192 -18.392 1.00 0.00 C ATOM 259 C GLN A 18 9.562 -9.094 -18.778 1.00 0.00 C ATOM 260 O GLN A 18 8.638 -8.668 -19.474 1.00 0.00 O ATOM 261 CB GLN A 18 11.887 -8.388 -19.373 1.00 0.00 C ATOM 262 CG GLN A 18 11.463 -8.339 -20.832 1.00 0.00 C ATOM 263 CD GLN A 18 12.555 -7.806 -21.739 1.00 0.00 C ATOM 264 OE1 GLN A 18 12.985 -8.481 -22.675 1.00 0.00 O ATOM 265 NE2 GLN A 18 13.009 -6.588 -21.466 1.00 0.00 N ATOM 0 H GLN A 18 12.108 -8.855 -16.959 1.00 0.00 H new ATOM 0 HA GLN A 18 10.394 -7.156 -18.439 1.00 0.00 H new ATOM 0 HB2 GLN A 18 12.637 -7.618 -19.195 1.00 0.00 H new ATOM 0 HB3 GLN A 18 12.363 -9.348 -19.174 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.181 -9.340 -21.158 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.577 -7.711 -20.928 1.00 0.00 H new ATOM 0 HE21 GLN A 18 12.624 -6.064 -20.680 1.00 0.00 H new ATOM 0 HE22 GLN A 18 13.743 -6.176 -22.042 1.00 0.00 H new ATOM 274 N LEU A 19 9.608 -10.341 -18.323 1.00 0.00 N ATOM 275 CA LEU A 19 8.554 -11.304 -18.620 1.00 0.00 C ATOM 276 C LEU A 19 7.212 -10.828 -18.073 1.00 0.00 C ATOM 277 O LEU A 19 6.176 -10.977 -18.723 1.00 0.00 O ATOM 278 CB LEU A 19 8.903 -12.671 -18.029 1.00 0.00 C ATOM 279 CG LEU A 19 9.770 -13.578 -18.903 1.00 0.00 C ATOM 280 CD1 LEU A 19 10.402 -14.680 -18.066 1.00 0.00 C ATOM 281 CD2 LEU A 19 8.946 -14.173 -20.035 1.00 0.00 C ATOM 0 H LEU A 19 10.365 -10.709 -17.746 1.00 0.00 H new ATOM 0 HA LEU A 19 8.473 -11.394 -19.703 1.00 0.00 H new ATOM 0 HB2 LEU A 19 9.417 -12.514 -17.081 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.974 -13.196 -17.805 1.00 0.00 H new ATOM 0 HG LEU A 19 10.568 -12.977 -19.338 1.00 0.00 H new ATOM 0 HD11 LEU A 19 11.015 -15.316 -18.705 1.00 0.00 H new ATOM 0 HD12 LEU A 19 11.025 -14.236 -17.290 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.619 -15.280 -17.603 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.579 -14.816 -20.647 1.00 0.00 H new ATOM 0 HD22 LEU A 19 8.127 -14.760 -19.619 1.00 0.00 H new ATOM 0 HD23 LEU A 19 8.541 -13.370 -20.651 1.00 0.00 H new ATOM 293 N LEU A 20 7.237 -10.254 -16.875 1.00 0.00 N ATOM 294 CA LEU A 20 6.023 -9.754 -16.241 1.00 0.00 C ATOM 295 C LEU A 20 5.497 -8.520 -16.968 1.00 0.00 C ATOM 296 O LEU A 20 4.296 -8.392 -17.206 1.00 0.00 O ATOM 297 CB LEU A 20 6.291 -9.419 -14.773 1.00 0.00 C ATOM 298 CG LEU A 20 6.992 -10.504 -13.954 1.00 0.00 C ATOM 299 CD1 LEU A 20 7.831 -9.881 -12.849 1.00 0.00 C ATOM 300 CD2 LEU A 20 5.973 -11.472 -13.371 1.00 0.00 C ATOM 0 H LEU A 20 8.085 -10.124 -16.323 1.00 0.00 H new ATOM 0 HA LEU A 20 5.266 -10.536 -16.296 1.00 0.00 H new ATOM 0 HB2 LEU A 20 6.896 -8.513 -14.732 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.339 -9.188 -14.294 1.00 0.00 H new ATOM 0 HG LEU A 20 7.656 -11.060 -14.616 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.322 -10.668 -12.277 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.585 -9.228 -13.289 1.00 0.00 H new ATOM 0 HD13 LEU A 20 7.188 -9.299 -12.188 1.00 0.00 H new ATOM 0 HD21 LEU A 20 6.489 -12.238 -12.791 1.00 0.00 H new ATOM 0 HD22 LEU A 20 5.284 -10.929 -12.724 1.00 0.00 H new ATOM 0 HD23 LEU A 20 5.415 -11.944 -14.180 1.00 0.00 H new ATOM 312 N ARG A 21 6.405 -7.616 -17.321 1.00 0.00 N ATOM 313 CA ARG A 21 6.033 -6.393 -18.022 1.00 0.00 C ATOM 314 C ARG A 21 5.507 -6.707 -19.420 1.00 0.00 C ATOM 315 O ARG A 21 4.691 -5.966 -19.967 1.00 0.00 O ATOM 316 CB ARG A 21 7.233 -5.449 -18.117 1.00 0.00 C ATOM 317 CG ARG A 21 6.848 -3.983 -18.224 1.00 0.00 C ATOM 318 CD ARG A 21 7.965 -3.157 -18.843 1.00 0.00 C ATOM 319 NE ARG A 21 9.144 -3.100 -17.983 1.00 0.00 N ATOM 320 CZ ARG A 21 9.204 -2.386 -16.864 1.00 0.00 C ATOM 321 NH1 ARG A 21 8.157 -1.673 -16.472 1.00 0.00 N ATOM 322 NH2 ARG A 21 10.312 -2.385 -16.135 1.00 0.00 N ATOM 0 H ARG A 21 7.403 -7.707 -17.133 1.00 0.00 H new ATOM 0 HA ARG A 21 5.240 -5.905 -17.455 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.863 -5.587 -17.239 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.832 -5.723 -18.986 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.945 -3.886 -18.827 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.613 -3.594 -17.233 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.240 -3.584 -19.807 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.606 -2.146 -19.033 1.00 0.00 H new ATOM 0 HE ARG A 21 9.966 -3.638 -18.256 1.00 0.00 H new ATOM 0 HH11 ARG A 21 7.303 -1.672 -17.030 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.206 -1.126 -15.613 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.119 -2.933 -16.433 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.357 -1.837 -15.276 1.00 0.00 H new ATOM 336 N SER A 22 5.980 -7.809 -19.991 1.00 0.00 N ATOM 337 CA SER A 22 5.561 -8.219 -21.326 1.00 0.00 C ATOM 338 C SER A 22 4.041 -8.315 -21.413 1.00 0.00 C ATOM 339 O SER A 22 3.427 -7.812 -22.354 1.00 0.00 O ATOM 340 CB SER A 22 6.190 -9.565 -21.691 1.00 0.00 C ATOM 341 OG SER A 22 6.314 -9.706 -23.096 1.00 0.00 O ATOM 0 H SER A 22 6.654 -8.435 -19.550 1.00 0.00 H new ATOM 0 HA SER A 22 5.901 -7.463 -22.034 1.00 0.00 H new ATOM 0 HB2 SER A 22 7.172 -9.649 -21.226 1.00 0.00 H new ATOM 0 HB3 SER A 22 5.579 -10.375 -21.294 1.00 0.00 H new ATOM 0 HG SER A 22 6.720 -10.574 -23.303 1.00 0.00 H new ATOM 347 N HIS A 23 3.438 -8.966 -20.422 1.00 0.00 N ATOM 348 CA HIS A 23 1.989 -9.129 -20.385 1.00 0.00 C ATOM 349 C HIS A 23 1.342 -8.042 -19.533 1.00 0.00 C ATOM 350 O HIS A 23 0.221 -8.203 -19.049 1.00 0.00 O ATOM 351 CB HIS A 23 1.624 -10.509 -19.835 1.00 0.00 C ATOM 352 CG HIS A 23 0.360 -11.067 -20.412 1.00 0.00 C ATOM 353 ND1 HIS A 23 -0.677 -11.539 -19.635 1.00 0.00 N ATOM 354 CD2 HIS A 23 -0.032 -11.227 -21.698 1.00 0.00 C ATOM 355 CE1 HIS A 23 -1.652 -11.967 -20.418 1.00 0.00 C ATOM 356 NE2 HIS A 23 -1.286 -11.788 -21.675 1.00 0.00 N ATOM 0 H HIS A 23 3.930 -9.389 -19.635 1.00 0.00 H new ATOM 0 HA HIS A 23 1.612 -9.040 -21.404 1.00 0.00 H new ATOM 0 HB2 HIS A 23 2.442 -11.200 -20.037 1.00 0.00 H new ATOM 0 HB3 HIS A 23 1.522 -10.444 -18.752 1.00 0.00 H new ATOM 0 HD2 HIS A 23 0.535 -10.963 -22.578 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -2.588 -12.391 -20.087 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -1.844 -12.027 -22.495 1.00 0.00 H new ATOM 364 N ARG A 24 2.055 -6.935 -19.353 1.00 0.00 N ATOM 365 CA ARG A 24 1.551 -5.822 -18.558 1.00 0.00 C ATOM 366 C ARG A 24 1.160 -6.287 -17.158 1.00 0.00 C ATOM 367 O ARG A 24 0.296 -5.691 -16.515 1.00 0.00 O ATOM 368 CB ARG A 24 0.347 -5.178 -19.248 1.00 0.00 C ATOM 369 CG ARG A 24 0.681 -4.542 -20.587 1.00 0.00 C ATOM 370 CD ARG A 24 1.189 -3.119 -20.417 1.00 0.00 C ATOM 371 NE ARG A 24 0.891 -2.288 -21.580 1.00 0.00 N ATOM 372 CZ ARG A 24 0.918 -0.960 -21.561 1.00 0.00 C ATOM 373 NH1 ARG A 24 1.228 -0.316 -20.444 1.00 0.00 N ATOM 374 NH2 ARG A 24 0.634 -0.273 -22.660 1.00 0.00 N ATOM 0 H ARG A 24 2.984 -6.785 -19.747 1.00 0.00 H new ATOM 0 HA ARG A 24 2.347 -5.083 -18.468 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.423 -5.935 -19.397 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.075 -4.419 -18.590 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.436 -5.140 -21.097 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -0.206 -4.540 -21.221 1.00 0.00 H new ATOM 0 HD2 ARG A 24 0.736 -2.676 -19.530 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.266 -3.136 -20.250 1.00 0.00 H new ATOM 0 HE ARG A 24 0.649 -2.753 -22.455 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.446 -0.840 -19.597 1.00 0.00 H new ATOM 0 HH12 ARG A 24 1.248 0.704 -20.432 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.394 -0.765 -23.521 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.655 0.747 -22.644 1.00 0.00 H new ATOM 388 N ILE A 25 1.802 -7.353 -16.694 1.00 0.00 N ATOM 389 CA ILE A 25 1.521 -7.897 -15.371 1.00 0.00 C ATOM 390 C ILE A 25 1.598 -6.812 -14.303 1.00 0.00 C ATOM 391 O ILE A 25 2.393 -5.878 -14.407 1.00 0.00 O ATOM 392 CB ILE A 25 2.501 -9.029 -15.008 1.00 0.00 C ATOM 393 CG1 ILE A 25 2.365 -10.187 -15.999 1.00 0.00 C ATOM 394 CG2 ILE A 25 2.253 -9.509 -13.586 1.00 0.00 C ATOM 395 CD1 ILE A 25 1.056 -10.935 -15.878 1.00 0.00 C ATOM 0 H ILE A 25 2.520 -7.857 -17.214 1.00 0.00 H new ATOM 0 HA ILE A 25 0.509 -8.300 -15.404 1.00 0.00 H new ATOM 0 HB ILE A 25 3.518 -8.642 -15.067 1.00 0.00 H new ATOM 0 HG12 ILE A 25 2.460 -9.800 -17.013 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.188 -10.885 -15.845 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.953 -10.309 -13.345 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.395 -8.680 -12.892 1.00 0.00 H new ATOM 0 HG23 ILE A 25 1.232 -9.882 -13.501 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.029 -11.742 -16.611 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.967 -11.352 -14.875 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.228 -10.251 -16.061 1.00 0.00 H new ATOM 407 N LYS A 26 0.766 -6.942 -13.275 1.00 0.00 N ATOM 408 CA LYS A 26 0.741 -5.975 -12.184 1.00 0.00 C ATOM 409 C LYS A 26 1.744 -6.351 -11.099 1.00 0.00 C ATOM 410 O LYS A 26 2.539 -7.277 -11.267 1.00 0.00 O ATOM 411 CB LYS A 26 -0.665 -5.887 -11.585 1.00 0.00 C ATOM 412 CG LYS A 26 -1.249 -4.485 -11.605 1.00 0.00 C ATOM 413 CD LYS A 26 -2.075 -4.208 -10.360 1.00 0.00 C ATOM 414 CE LYS A 26 -1.801 -2.818 -9.807 1.00 0.00 C ATOM 415 NZ LYS A 26 -2.940 -2.311 -8.992 1.00 0.00 N ATOM 0 H LYS A 26 0.100 -7.708 -13.175 1.00 0.00 H new ATOM 0 HA LYS A 26 1.019 -5.002 -12.589 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.328 -6.555 -12.135 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.635 -6.244 -10.556 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.443 -3.755 -11.678 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.872 -4.362 -12.491 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.135 -4.304 -10.596 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.849 -4.955 -9.599 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.899 -2.842 -9.195 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -1.610 -2.131 -10.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.714 -1.361 -8.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.795 -2.264 -9.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.107 -2.953 -8.191 1.00 0.00 H new ATOM 429 N THR A 27 1.703 -5.628 -9.984 1.00 0.00 N ATOM 430 CA THR A 27 2.608 -5.887 -8.871 1.00 0.00 C ATOM 431 C THR A 27 2.244 -7.182 -8.156 1.00 0.00 C ATOM 432 O THR A 27 1.328 -7.895 -8.568 1.00 0.00 O ATOM 433 CB THR A 27 2.593 -4.730 -7.855 1.00 0.00 C ATOM 434 OG1 THR A 27 1.441 -4.834 -7.011 1.00 0.00 O ATOM 435 CG2 THR A 27 2.589 -3.385 -8.565 1.00 0.00 C ATOM 0 H THR A 27 1.052 -4.858 -9.828 1.00 0.00 H new ATOM 0 HA THR A 27 3.609 -5.978 -9.292 1.00 0.00 H new ATOM 0 HB THR A 27 3.495 -4.798 -7.247 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.844 -4.075 -7.177 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.578 -2.584 -7.826 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.483 -3.297 -9.183 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.703 -3.309 -9.195 1.00 0.00 H new ATOM 443 N VAL A 28 2.966 -7.482 -7.080 1.00 0.00 N ATOM 444 CA VAL A 28 2.717 -8.692 -6.305 1.00 0.00 C ATOM 445 C VAL A 28 1.229 -8.864 -6.018 1.00 0.00 C ATOM 446 O VAL A 28 0.740 -9.984 -5.872 1.00 0.00 O ATOM 447 CB VAL A 28 3.487 -8.672 -4.972 1.00 0.00 C ATOM 448 CG1 VAL A 28 3.221 -9.946 -4.183 1.00 0.00 C ATOM 449 CG2 VAL A 28 4.977 -8.490 -5.220 1.00 0.00 C ATOM 0 H VAL A 28 3.728 -6.904 -6.726 1.00 0.00 H new ATOM 0 HA VAL A 28 3.067 -9.531 -6.906 1.00 0.00 H new ATOM 0 HB VAL A 28 3.135 -7.827 -4.381 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.773 -9.914 -3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.154 -10.029 -3.974 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.544 -10.809 -4.765 1.00 0.00 H new ATOM 0 HG21 VAL A 28 5.506 -8.478 -4.267 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.348 -9.314 -5.830 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.147 -7.548 -5.741 1.00 0.00 H new ATOM 459 N VAL A 29 0.514 -7.747 -5.939 1.00 0.00 N ATOM 460 CA VAL A 29 -0.919 -7.774 -5.671 1.00 0.00 C ATOM 461 C VAL A 29 -1.652 -8.642 -6.687 1.00 0.00 C ATOM 462 O VAL A 29 -2.532 -9.425 -6.330 1.00 0.00 O ATOM 463 CB VAL A 29 -1.521 -6.356 -5.694 1.00 0.00 C ATOM 464 CG1 VAL A 29 -1.294 -5.702 -7.049 1.00 0.00 C ATOM 465 CG2 VAL A 29 -3.003 -6.402 -5.357 1.00 0.00 C ATOM 0 H VAL A 29 0.903 -6.812 -6.057 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.047 -8.199 -4.675 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.018 -5.754 -4.938 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -1.726 -4.701 -7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.224 -5.635 -7.246 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.769 -6.301 -7.826 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.412 -5.392 -5.378 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.524 -7.020 -6.089 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -3.137 -6.827 -4.362 1.00 0.00 H new ATOM 475 N ASP A 30 -1.282 -8.499 -7.955 1.00 0.00 N ATOM 476 CA ASP A 30 -1.904 -9.271 -9.025 1.00 0.00 C ATOM 477 C ASP A 30 -1.448 -10.726 -8.980 1.00 0.00 C ATOM 478 O ASP A 30 -2.211 -11.638 -9.302 1.00 0.00 O ATOM 479 CB ASP A 30 -1.567 -8.660 -10.386 1.00 0.00 C ATOM 480 CG ASP A 30 -1.929 -9.578 -11.538 1.00 0.00 C ATOM 481 OD1 ASP A 30 -3.136 -9.816 -11.750 1.00 0.00 O ATOM 482 OD2 ASP A 30 -1.004 -10.057 -12.227 1.00 0.00 O ATOM 0 H ASP A 30 -0.555 -7.856 -8.267 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.984 -9.242 -8.880 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -2.098 -7.714 -10.498 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.501 -8.434 -10.426 1.00 0.00 H new ATOM 487 N LEU A 31 -0.199 -10.937 -8.579 1.00 0.00 N ATOM 488 CA LEU A 31 0.360 -12.282 -8.493 1.00 0.00 C ATOM 489 C LEU A 31 -0.531 -13.189 -7.650 1.00 0.00 C ATOM 490 O LEU A 31 -0.672 -14.378 -7.937 1.00 0.00 O ATOM 491 CB LEU A 31 1.767 -12.233 -7.895 1.00 0.00 C ATOM 492 CG LEU A 31 2.778 -13.222 -8.477 1.00 0.00 C ATOM 493 CD1 LEU A 31 2.954 -12.990 -9.969 1.00 0.00 C ATOM 494 CD2 LEU A 31 4.113 -13.106 -7.756 1.00 0.00 C ATOM 0 H LEU A 31 0.446 -10.194 -8.308 1.00 0.00 H new ATOM 0 HA LEU A 31 0.414 -12.692 -9.502 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.160 -11.224 -8.024 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.691 -12.411 -6.822 1.00 0.00 H new ATOM 0 HG LEU A 31 2.395 -14.232 -8.330 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.677 -13.703 -10.365 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.997 -13.125 -10.474 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.314 -11.975 -10.139 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.820 -13.817 -8.183 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.502 -12.094 -7.871 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.975 -13.324 -6.697 1.00 0.00 H new ATOM 506 N VAL A 32 -1.133 -12.619 -6.611 1.00 0.00 N ATOM 507 CA VAL A 32 -2.014 -13.375 -5.729 1.00 0.00 C ATOM 508 C VAL A 32 -3.110 -14.081 -6.519 1.00 0.00 C ATOM 509 O VAL A 32 -3.636 -15.108 -6.090 1.00 0.00 O ATOM 510 CB VAL A 32 -2.665 -12.465 -4.671 1.00 0.00 C ATOM 511 CG1 VAL A 32 -3.852 -11.721 -5.264 1.00 0.00 C ATOM 512 CG2 VAL A 32 -3.087 -13.277 -3.456 1.00 0.00 C ATOM 0 H VAL A 32 -1.027 -11.636 -6.360 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.395 -14.119 -5.227 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.929 -11.728 -4.349 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.299 -11.083 -4.502 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.516 -11.107 -6.100 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.592 -12.439 -5.616 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.545 -12.618 -2.719 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -3.806 -14.038 -3.759 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.212 -13.758 -3.018 1.00 0.00 H new ATOM 522 N SER A 33 -3.449 -13.524 -7.678 1.00 0.00 N ATOM 523 CA SER A 33 -4.485 -14.098 -8.528 1.00 0.00 C ATOM 524 C SER A 33 -3.871 -14.780 -9.747 1.00 0.00 C ATOM 525 O SER A 33 -4.474 -15.673 -10.341 1.00 0.00 O ATOM 526 CB SER A 33 -5.466 -13.013 -8.976 1.00 0.00 C ATOM 527 OG SER A 33 -6.549 -13.572 -9.699 1.00 0.00 O ATOM 0 H SER A 33 -3.021 -12.676 -8.049 1.00 0.00 H new ATOM 0 HA SER A 33 -5.024 -14.847 -7.947 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.844 -12.478 -8.105 1.00 0.00 H new ATOM 0 HB3 SER A 33 -4.947 -12.284 -9.598 1.00 0.00 H new ATOM 0 HG SER A 33 -7.163 -12.859 -9.973 1.00 0.00 H new ATOM 533 N ALA A 34 -2.668 -14.352 -10.113 1.00 0.00 N ATOM 534 CA ALA A 34 -1.970 -14.922 -11.259 1.00 0.00 C ATOM 535 C ALA A 34 -1.707 -16.411 -11.057 1.00 0.00 C ATOM 536 O ALA A 34 -2.054 -16.977 -10.021 1.00 0.00 O ATOM 537 CB ALA A 34 -0.664 -14.181 -11.504 1.00 0.00 C ATOM 0 H ALA A 34 -2.156 -13.612 -9.633 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.609 -14.809 -12.135 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.154 -14.617 -12.363 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -0.874 -13.130 -11.702 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.028 -14.264 -10.623 1.00 0.00 H new ATOM 543 N ASP A 35 -1.092 -17.038 -12.054 1.00 0.00 N ATOM 544 CA ASP A 35 -0.782 -18.461 -11.985 1.00 0.00 C ATOM 545 C ASP A 35 0.666 -18.682 -11.557 1.00 0.00 C ATOM 546 O ASP A 35 1.439 -19.336 -12.259 1.00 0.00 O ATOM 547 CB ASP A 35 -1.033 -19.126 -13.339 1.00 0.00 C ATOM 548 CG ASP A 35 -1.468 -20.572 -13.203 1.00 0.00 C ATOM 549 OD1 ASP A 35 -1.431 -21.098 -12.071 1.00 0.00 O ATOM 550 OD2 ASP A 35 -1.844 -21.178 -14.228 1.00 0.00 O ATOM 0 H ASP A 35 -0.799 -16.584 -12.919 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.436 -18.914 -11.240 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.799 -18.568 -13.878 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.124 -19.078 -13.938 1.00 0.00 H new ATOM 555 N LEU A 36 1.027 -18.131 -10.404 1.00 0.00 N ATOM 556 CA LEU A 36 2.383 -18.266 -9.883 1.00 0.00 C ATOM 557 C LEU A 36 2.745 -19.734 -9.682 1.00 0.00 C ATOM 558 O LEU A 36 3.883 -20.140 -9.918 1.00 0.00 O ATOM 559 CB LEU A 36 2.520 -17.509 -8.560 1.00 0.00 C ATOM 560 CG LEU A 36 3.928 -17.032 -8.203 1.00 0.00 C ATOM 561 CD1 LEU A 36 4.856 -18.218 -7.992 1.00 0.00 C ATOM 562 CD2 LEU A 36 4.471 -16.113 -9.288 1.00 0.00 C ATOM 0 H LEU A 36 0.400 -17.586 -9.812 1.00 0.00 H new ATOM 0 HA LEU A 36 3.071 -17.838 -10.612 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.861 -16.641 -8.591 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.162 -18.153 -7.757 1.00 0.00 H new ATOM 0 HG LEU A 36 3.875 -16.469 -7.271 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.854 -17.859 -7.739 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.476 -18.837 -7.179 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.905 -18.809 -8.906 1.00 0.00 H new ATOM 0 HD21 LEU A 36 5.474 -15.783 -9.017 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.509 -16.651 -10.235 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.819 -15.245 -9.390 1.00 0.00 H new ATOM 574 N GLU A 37 1.770 -20.525 -9.246 1.00 0.00 N ATOM 575 CA GLU A 37 1.987 -21.948 -9.015 1.00 0.00 C ATOM 576 C GLU A 37 2.427 -22.646 -10.299 1.00 0.00 C ATOM 577 O GLU A 37 3.358 -23.451 -10.291 1.00 0.00 O ATOM 578 CB GLU A 37 0.711 -22.601 -8.479 1.00 0.00 C ATOM 579 CG GLU A 37 -0.506 -22.375 -9.361 1.00 0.00 C ATOM 580 CD GLU A 37 -1.811 -22.579 -8.617 1.00 0.00 C ATOM 581 OE1 GLU A 37 -1.821 -22.418 -7.379 1.00 0.00 O ATOM 582 OE2 GLU A 37 -2.824 -22.900 -9.275 1.00 0.00 O ATOM 0 H GLU A 37 0.823 -20.205 -9.046 1.00 0.00 H new ATOM 0 HA GLU A 37 2.779 -22.053 -8.274 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.878 -23.673 -8.373 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.504 -22.211 -7.482 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.476 -21.362 -9.763 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.466 -23.057 -10.211 1.00 0.00 H new ATOM 589 N GLU A 38 1.751 -22.332 -11.399 1.00 0.00 N ATOM 590 CA GLU A 38 2.072 -22.930 -12.689 1.00 0.00 C ATOM 591 C GLU A 38 3.346 -22.323 -13.269 1.00 0.00 C ATOM 592 O GLU A 38 4.246 -23.040 -13.707 1.00 0.00 O ATOM 593 CB GLU A 38 0.911 -22.739 -13.668 1.00 0.00 C ATOM 594 CG GLU A 38 0.705 -23.916 -14.606 1.00 0.00 C ATOM 595 CD GLU A 38 1.345 -23.700 -15.964 1.00 0.00 C ATOM 596 OE1 GLU A 38 1.005 -22.697 -16.626 1.00 0.00 O ATOM 597 OE2 GLU A 38 2.185 -24.532 -16.364 1.00 0.00 O ATOM 0 H GLU A 38 0.978 -21.667 -11.423 1.00 0.00 H new ATOM 0 HA GLU A 38 2.236 -23.996 -12.535 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.006 -22.571 -13.103 1.00 0.00 H new ATOM 0 HB3 GLU A 38 1.090 -21.841 -14.259 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.121 -24.815 -14.151 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.363 -24.090 -14.736 1.00 0.00 H new ATOM 604 N VAL A 39 3.415 -20.996 -13.269 1.00 0.00 N ATOM 605 CA VAL A 39 4.578 -20.290 -13.793 1.00 0.00 C ATOM 606 C VAL A 39 5.855 -20.737 -13.090 1.00 0.00 C ATOM 607 O VAL A 39 6.858 -21.039 -13.736 1.00 0.00 O ATOM 608 CB VAL A 39 4.427 -18.765 -13.639 1.00 0.00 C ATOM 609 CG1 VAL A 39 5.659 -18.050 -14.172 1.00 0.00 C ATOM 610 CG2 VAL A 39 3.171 -18.281 -14.347 1.00 0.00 C ATOM 0 H VAL A 39 2.678 -20.388 -12.912 1.00 0.00 H new ATOM 0 HA VAL A 39 4.645 -20.535 -14.853 1.00 0.00 H new ATOM 0 HB VAL A 39 4.332 -18.531 -12.579 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.534 -16.974 -14.055 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.538 -18.376 -13.616 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.789 -18.287 -15.228 1.00 0.00 H new ATOM 0 HG21 VAL A 39 3.080 -17.201 -14.228 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.234 -18.525 -15.407 1.00 0.00 H new ATOM 0 HG23 VAL A 39 2.298 -18.769 -13.913 1.00 0.00 H new ATOM 620 N ALA A 40 5.810 -20.777 -11.762 1.00 0.00 N ATOM 621 CA ALA A 40 6.962 -21.190 -10.971 1.00 0.00 C ATOM 622 C ALA A 40 7.362 -22.626 -11.291 1.00 0.00 C ATOM 623 O ALA A 40 8.546 -22.963 -11.296 1.00 0.00 O ATOM 624 CB ALA A 40 6.663 -21.041 -9.486 1.00 0.00 C ATOM 0 H ALA A 40 4.988 -20.528 -11.212 1.00 0.00 H new ATOM 0 HA ALA A 40 7.800 -20.542 -11.229 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.532 -21.353 -8.907 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.434 -19.999 -9.264 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.809 -21.664 -9.223 1.00 0.00 H new ATOM 630 N GLN A 41 6.368 -23.467 -11.555 1.00 0.00 N ATOM 631 CA GLN A 41 6.618 -24.868 -11.875 1.00 0.00 C ATOM 632 C GLN A 41 7.306 -25.003 -13.229 1.00 0.00 C ATOM 633 O GLN A 41 8.272 -25.753 -13.374 1.00 0.00 O ATOM 634 CB GLN A 41 5.306 -25.655 -11.876 1.00 0.00 C ATOM 635 CG GLN A 41 4.974 -26.286 -10.533 1.00 0.00 C ATOM 636 CD GLN A 41 5.964 -27.363 -10.134 1.00 0.00 C ATOM 637 OE1 GLN A 41 6.537 -28.042 -10.987 1.00 0.00 O ATOM 638 NE2 GLN A 41 6.172 -27.524 -8.833 1.00 0.00 N ATOM 0 H GLN A 41 5.383 -23.204 -11.554 1.00 0.00 H new ATOM 0 HA GLN A 41 7.278 -25.277 -11.110 1.00 0.00 H new ATOM 0 HB2 GLN A 41 4.493 -24.990 -12.166 1.00 0.00 H new ATOM 0 HB3 GLN A 41 5.362 -26.438 -12.632 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.957 -25.511 -9.766 1.00 0.00 H new ATOM 0 HG3 GLN A 41 3.973 -26.715 -10.575 1.00 0.00 H new ATOM 0 HE21 GLN A 41 5.675 -26.939 -8.161 1.00 0.00 H new ATOM 0 HE22 GLN A 41 6.828 -28.233 -8.505 1.00 0.00 H new ATOM 647 N LYS A 42 6.804 -24.273 -14.218 1.00 0.00 N ATOM 648 CA LYS A 42 7.370 -24.309 -15.561 1.00 0.00 C ATOM 649 C LYS A 42 8.749 -23.658 -15.588 1.00 0.00 C ATOM 650 O LYS A 42 9.694 -24.206 -16.158 1.00 0.00 O ATOM 651 CB LYS A 42 6.440 -23.600 -16.549 1.00 0.00 C ATOM 652 CG LYS A 42 5.063 -24.234 -16.649 1.00 0.00 C ATOM 653 CD LYS A 42 4.606 -24.348 -18.094 1.00 0.00 C ATOM 654 CE LYS A 42 4.499 -22.981 -18.754 1.00 0.00 C ATOM 655 NZ LYS A 42 3.501 -22.113 -18.071 1.00 0.00 N ATOM 0 H LYS A 42 6.005 -23.648 -14.115 1.00 0.00 H new ATOM 0 HA LYS A 42 7.475 -25.353 -15.856 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.330 -22.558 -16.248 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.903 -23.600 -17.536 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.083 -25.224 -16.193 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.345 -23.638 -16.085 1.00 0.00 H new ATOM 0 HD2 LYS A 42 5.308 -24.968 -18.651 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.639 -24.849 -18.132 1.00 0.00 H new ATOM 0 HE2 LYS A 42 5.474 -22.494 -18.740 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.218 -23.104 -19.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 3.320 -21.269 -18.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.614 -22.640 -17.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 3.871 -21.822 -17.144 1.00 0.00 H new ATOM 669 N CYS A 43 8.858 -22.488 -14.969 1.00 0.00 N ATOM 670 CA CYS A 43 10.122 -21.763 -14.922 1.00 0.00 C ATOM 671 C CYS A 43 11.131 -22.486 -14.035 1.00 0.00 C ATOM 672 O CYS A 43 12.340 -22.368 -14.230 1.00 0.00 O ATOM 673 CB CYS A 43 9.899 -20.340 -14.406 1.00 0.00 C ATOM 674 SG CYS A 43 11.046 -19.120 -15.087 1.00 0.00 S ATOM 0 H CYS A 43 8.086 -22.021 -14.493 1.00 0.00 H new ATOM 0 HA CYS A 43 10.523 -21.716 -15.934 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.879 -20.035 -14.641 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.989 -20.341 -13.320 1.00 0.00 H new ATOM 0 HG CYS A 43 10.777 -17.948 -14.593 1.00 0.00 H new ATOM 680 N GLY A 44 10.625 -23.234 -13.060 1.00 0.00 N ATOM 681 CA GLY A 44 11.495 -23.964 -12.157 1.00 0.00 C ATOM 682 C GLY A 44 11.918 -23.133 -10.961 1.00 0.00 C ATOM 683 O GLY A 44 12.988 -23.352 -10.391 1.00 0.00 O ATOM 0 H GLY A 44 9.628 -23.348 -12.879 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.982 -24.861 -11.809 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.382 -24.293 -12.699 1.00 0.00 H new ATOM 687 N LEU A 45 11.079 -22.177 -10.581 1.00 0.00 N ATOM 688 CA LEU A 45 11.372 -21.309 -9.446 1.00 0.00 C ATOM 689 C LEU A 45 10.811 -21.894 -8.153 1.00 0.00 C ATOM 690 O LEU A 45 9.793 -22.586 -8.164 1.00 0.00 O ATOM 691 CB LEU A 45 10.790 -19.914 -9.682 1.00 0.00 C ATOM 692 CG LEU A 45 10.798 -18.970 -8.478 1.00 0.00 C ATOM 693 CD1 LEU A 45 12.218 -18.529 -8.156 1.00 0.00 C ATOM 694 CD2 LEU A 45 9.909 -17.764 -8.740 1.00 0.00 C ATOM 0 H LEU A 45 10.190 -21.983 -11.042 1.00 0.00 H new ATOM 0 HA LEU A 45 12.455 -21.233 -9.349 1.00 0.00 H new ATOM 0 HB2 LEU A 45 11.347 -19.442 -10.492 1.00 0.00 H new ATOM 0 HB3 LEU A 45 9.761 -20.025 -10.025 1.00 0.00 H new ATOM 0 HG LEU A 45 10.402 -19.507 -7.616 1.00 0.00 H new ATOM 0 HD11 LEU A 45 12.205 -17.858 -7.297 1.00 0.00 H new ATOM 0 HD12 LEU A 45 12.827 -19.403 -7.924 1.00 0.00 H new ATOM 0 HD13 LEU A 45 12.641 -18.010 -9.016 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.927 -17.104 -7.873 1.00 0.00 H new ATOM 0 HD22 LEU A 45 10.275 -17.225 -9.614 1.00 0.00 H new ATOM 0 HD23 LEU A 45 8.887 -18.098 -8.921 1.00 0.00 H new ATOM 706 N SER A 46 11.481 -21.610 -7.041 1.00 0.00 N ATOM 707 CA SER A 46 11.051 -22.109 -5.741 1.00 0.00 C ATOM 708 C SER A 46 9.939 -21.238 -5.165 1.00 0.00 C ATOM 709 O SER A 46 10.181 -20.113 -4.727 1.00 0.00 O ATOM 710 CB SER A 46 12.234 -22.154 -4.771 1.00 0.00 C ATOM 711 OG SER A 46 13.454 -22.353 -5.464 1.00 0.00 O ATOM 0 H SER A 46 12.324 -21.037 -7.015 1.00 0.00 H new ATOM 0 HA SER A 46 10.664 -23.119 -5.877 1.00 0.00 H new ATOM 0 HB2 SER A 46 12.281 -21.223 -4.206 1.00 0.00 H new ATOM 0 HB3 SER A 46 12.087 -22.958 -4.050 1.00 0.00 H new ATOM 0 HG SER A 46 14.195 -22.376 -4.823 1.00 0.00 H new ATOM 717 N TYR A 47 8.721 -21.766 -5.168 1.00 0.00 N ATOM 718 CA TYR A 47 7.570 -21.037 -4.648 1.00 0.00 C ATOM 719 C TYR A 47 7.815 -20.584 -3.212 1.00 0.00 C ATOM 720 O TYR A 47 7.244 -19.595 -2.754 1.00 0.00 O ATOM 721 CB TYR A 47 6.315 -21.910 -4.713 1.00 0.00 C ATOM 722 CG TYR A 47 5.032 -21.142 -4.488 1.00 0.00 C ATOM 723 CD1 TYR A 47 4.389 -20.502 -5.540 1.00 0.00 C ATOM 724 CD2 TYR A 47 4.463 -21.057 -3.223 1.00 0.00 C ATOM 725 CE1 TYR A 47 3.217 -19.799 -5.340 1.00 0.00 C ATOM 726 CE2 TYR A 47 3.290 -20.357 -3.014 1.00 0.00 C ATOM 727 CZ TYR A 47 2.671 -19.730 -4.075 1.00 0.00 C ATOM 728 OH TYR A 47 1.504 -19.032 -3.870 1.00 0.00 O ATOM 0 H TYR A 47 8.504 -22.697 -5.525 1.00 0.00 H new ATOM 0 HA TYR A 47 7.422 -20.153 -5.268 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.271 -22.397 -5.687 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.392 -22.699 -3.965 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.813 -20.555 -6.532 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.945 -21.546 -2.390 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.731 -19.306 -6.169 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.860 -20.301 -2.025 1.00 0.00 H new ATOM 0 HH TYR A 47 1.254 -19.083 -2.924 1.00 0.00 H new ATOM 738 N LYS A 48 8.670 -21.317 -2.506 1.00 0.00 N ATOM 739 CA LYS A 48 8.994 -20.992 -1.122 1.00 0.00 C ATOM 740 C LYS A 48 9.536 -19.571 -1.009 1.00 0.00 C ATOM 741 O LYS A 48 9.248 -18.861 -0.046 1.00 0.00 O ATOM 742 CB LYS A 48 10.019 -21.986 -0.570 1.00 0.00 C ATOM 743 CG LYS A 48 11.268 -22.109 -1.427 1.00 0.00 C ATOM 744 CD LYS A 48 12.279 -23.058 -0.805 1.00 0.00 C ATOM 745 CE LYS A 48 12.062 -24.489 -1.273 1.00 0.00 C ATOM 746 NZ LYS A 48 11.024 -25.186 -0.464 1.00 0.00 N ATOM 0 H LYS A 48 9.151 -22.140 -2.870 1.00 0.00 H new ATOM 0 HA LYS A 48 8.078 -21.060 -0.535 1.00 0.00 H new ATOM 0 HB2 LYS A 48 10.307 -21.678 0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 48 9.551 -22.966 -0.481 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.995 -22.466 -2.420 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.721 -21.126 -1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 48 13.288 -22.738 -1.065 1.00 0.00 H new ATOM 0 HD3 LYS A 48 12.201 -23.014 0.281 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.764 -24.487 -2.322 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.001 -25.038 -1.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 11.226 -26.206 -0.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 11.032 -24.813 0.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.088 -25.026 -0.888 1.00 0.00 H new ATOM 760 N ALA A 49 10.321 -19.161 -2.000 1.00 0.00 N ATOM 761 CA ALA A 49 10.899 -17.824 -2.014 1.00 0.00 C ATOM 762 C ALA A 49 9.814 -16.757 -2.114 1.00 0.00 C ATOM 763 O ALA A 49 9.915 -15.694 -1.499 1.00 0.00 O ATOM 764 CB ALA A 49 11.885 -17.686 -3.164 1.00 0.00 C ATOM 0 H ALA A 49 10.571 -19.737 -2.804 1.00 0.00 H new ATOM 0 HA ALA A 49 11.431 -17.676 -1.074 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.309 -16.682 -3.162 1.00 0.00 H new ATOM 0 HB2 ALA A 49 12.685 -18.417 -3.047 1.00 0.00 H new ATOM 0 HB3 ALA A 49 11.369 -17.860 -4.108 1.00 0.00 H new ATOM 770 N LEU A 50 8.778 -17.046 -2.893 1.00 0.00 N ATOM 771 CA LEU A 50 7.673 -16.110 -3.074 1.00 0.00 C ATOM 772 C LEU A 50 6.792 -16.061 -1.830 1.00 0.00 C ATOM 773 O LEU A 50 6.265 -15.007 -1.472 1.00 0.00 O ATOM 774 CB LEU A 50 6.836 -16.510 -4.291 1.00 0.00 C ATOM 775 CG LEU A 50 6.193 -15.361 -5.070 1.00 0.00 C ATOM 776 CD1 LEU A 50 5.236 -14.583 -4.180 1.00 0.00 C ATOM 777 CD2 LEU A 50 7.262 -14.440 -5.639 1.00 0.00 C ATOM 0 H LEU A 50 8.679 -17.920 -3.409 1.00 0.00 H new ATOM 0 HA LEU A 50 8.092 -15.117 -3.239 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.471 -17.075 -4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.046 -17.184 -3.958 1.00 0.00 H new ATOM 0 HG LEU A 50 5.625 -15.782 -5.899 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.788 -13.770 -4.751 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.452 -15.249 -3.820 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.782 -14.172 -3.330 1.00 0.00 H new ATOM 0 HD21 LEU A 50 6.787 -13.628 -6.190 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.857 -14.026 -4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.909 -15.005 -6.310 1.00 0.00 H new ATOM 789 N VAL A 51 6.637 -17.206 -1.174 1.00 0.00 N ATOM 790 CA VAL A 51 5.823 -17.293 0.032 1.00 0.00 C ATOM 791 C VAL A 51 6.323 -16.331 1.103 1.00 0.00 C ATOM 792 O VAL A 51 5.533 -15.729 1.829 1.00 0.00 O ATOM 793 CB VAL A 51 5.817 -18.723 0.604 1.00 0.00 C ATOM 794 CG1 VAL A 51 4.902 -18.810 1.815 1.00 0.00 C ATOM 795 CG2 VAL A 51 5.398 -19.722 -0.465 1.00 0.00 C ATOM 0 H VAL A 51 7.065 -18.087 -1.458 1.00 0.00 H new ATOM 0 HA VAL A 51 4.807 -17.020 -0.252 1.00 0.00 H new ATOM 0 HB VAL A 51 6.828 -18.972 0.925 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.911 -19.828 2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.252 -18.123 2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.886 -18.542 1.524 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.399 -20.727 -0.044 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.396 -19.478 -0.819 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.098 -19.677 -1.299 1.00 0.00 H new ATOM 805 N ALA A 52 7.642 -16.190 1.195 1.00 0.00 N ATOM 806 CA ALA A 52 8.248 -15.299 2.176 1.00 0.00 C ATOM 807 C ALA A 52 7.760 -13.866 1.992 1.00 0.00 C ATOM 808 O ALA A 52 7.400 -13.193 2.958 1.00 0.00 O ATOM 809 CB ALA A 52 9.765 -15.359 2.077 1.00 0.00 C ATOM 0 H ALA A 52 8.311 -16.682 0.602 1.00 0.00 H new ATOM 0 HA ALA A 52 7.946 -15.633 3.169 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.205 -14.689 2.815 1.00 0.00 H new ATOM 0 HB2 ALA A 52 10.102 -16.378 2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 52 10.077 -15.053 1.078 1.00 0.00 H new ATOM 815 N LEU A 53 7.752 -13.405 0.746 1.00 0.00 N ATOM 816 CA LEU A 53 7.309 -12.050 0.435 1.00 0.00 C ATOM 817 C LEU A 53 5.803 -11.910 0.636 1.00 0.00 C ATOM 818 O LEU A 53 5.330 -10.915 1.186 1.00 0.00 O ATOM 819 CB LEU A 53 7.678 -11.690 -1.005 1.00 0.00 C ATOM 820 CG LEU A 53 9.106 -12.025 -1.436 1.00 0.00 C ATOM 821 CD1 LEU A 53 9.206 -12.085 -2.952 1.00 0.00 C ATOM 822 CD2 LEU A 53 10.085 -11.004 -0.875 1.00 0.00 C ATOM 0 H LEU A 53 8.047 -13.949 -0.065 1.00 0.00 H new ATOM 0 HA LEU A 53 7.813 -11.364 1.115 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.988 -12.203 -1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.520 -10.620 -1.143 1.00 0.00 H new ATOM 0 HG LEU A 53 9.365 -13.005 -1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.230 -12.325 -3.240 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.533 -12.854 -3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.927 -11.119 -3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.097 -11.258 -1.192 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.827 -10.012 -1.245 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.033 -11.010 0.214 1.00 0.00 H new ATOM 834 N ARG A 54 5.056 -12.914 0.190 1.00 0.00 N ATOM 835 CA ARG A 54 3.604 -12.903 0.322 1.00 0.00 C ATOM 836 C ARG A 54 3.192 -12.865 1.791 1.00 0.00 C ATOM 837 O ARG A 54 2.319 -12.090 2.181 1.00 0.00 O ATOM 838 CB ARG A 54 2.999 -14.134 -0.357 1.00 0.00 C ATOM 839 CG ARG A 54 1.680 -13.856 -1.059 1.00 0.00 C ATOM 840 CD ARG A 54 1.893 -13.483 -2.517 1.00 0.00 C ATOM 841 NE ARG A 54 1.806 -14.644 -3.398 1.00 0.00 N ATOM 842 CZ ARG A 54 0.679 -15.308 -3.630 1.00 0.00 C ATOM 843 NH1 ARG A 54 -0.450 -14.927 -3.049 1.00 0.00 N ATOM 844 NH2 ARG A 54 0.680 -16.355 -4.444 1.00 0.00 N ATOM 0 H ARG A 54 5.432 -13.745 -0.266 1.00 0.00 H new ATOM 0 HA ARG A 54 3.227 -12.005 -0.167 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.712 -14.525 -1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.846 -14.912 0.391 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.041 -14.737 -0.997 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.158 -13.047 -0.548 1.00 0.00 H new ATOM 0 HD2 ARG A 54 1.148 -12.745 -2.815 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.870 -13.013 -2.632 1.00 0.00 H new ATOM 0 HE ARG A 54 2.657 -14.963 -3.861 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.455 -14.122 -2.422 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.314 -15.438 -3.229 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.547 -16.651 -4.893 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.186 -16.864 -4.621 1.00 0.00 H new ATOM 858 N ARG A 55 3.825 -13.708 2.600 1.00 0.00 N ATOM 859 CA ARG A 55 3.524 -13.772 4.025 1.00 0.00 C ATOM 860 C ARG A 55 3.735 -12.413 4.687 1.00 0.00 C ATOM 861 O ARG A 55 2.965 -12.008 5.557 1.00 0.00 O ATOM 862 CB ARG A 55 4.399 -14.825 4.706 1.00 0.00 C ATOM 863 CG ARG A 55 3.986 -15.126 6.138 1.00 0.00 C ATOM 864 CD ARG A 55 4.878 -16.187 6.764 1.00 0.00 C ATOM 865 NE ARG A 55 4.695 -17.494 6.138 1.00 0.00 N ATOM 866 CZ ARG A 55 3.640 -18.270 6.354 1.00 0.00 C ATOM 867 NH1 ARG A 55 2.677 -17.873 7.174 1.00 0.00 N ATOM 868 NH2 ARG A 55 3.545 -19.447 5.747 1.00 0.00 N ATOM 0 H ARG A 55 4.550 -14.356 2.293 1.00 0.00 H new ATOM 0 HA ARG A 55 2.477 -14.053 4.137 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.363 -15.746 4.125 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.434 -14.484 4.699 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.034 -14.213 6.731 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.950 -15.464 6.156 1.00 0.00 H new ATOM 0 HD2 ARG A 55 5.921 -15.884 6.672 1.00 0.00 H new ATOM 0 HD3 ARG A 55 4.660 -16.261 7.829 1.00 0.00 H new ATOM 0 HE ARG A 55 5.417 -17.829 5.500 1.00 0.00 H new ATOM 0 HH11 ARG A 55 2.745 -16.969 7.641 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.868 -18.472 7.338 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.283 -19.756 5.114 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.734 -20.043 5.914 1.00 0.00 H new ATOM 882 N VAL A 56 4.785 -11.714 4.268 1.00 0.00 N ATOM 883 CA VAL A 56 5.098 -10.401 4.819 1.00 0.00 C ATOM 884 C VAL A 56 4.057 -9.367 4.403 1.00 0.00 C ATOM 885 O VAL A 56 3.671 -8.506 5.194 1.00 0.00 O ATOM 886 CB VAL A 56 6.491 -9.920 4.369 1.00 0.00 C ATOM 887 CG1 VAL A 56 6.788 -8.540 4.934 1.00 0.00 C ATOM 888 CG2 VAL A 56 7.559 -10.919 4.787 1.00 0.00 C ATOM 0 H VAL A 56 5.433 -12.035 3.549 1.00 0.00 H new ATOM 0 HA VAL A 56 5.090 -10.504 5.904 1.00 0.00 H new ATOM 0 HB VAL A 56 6.499 -9.849 3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 56 7.776 -8.217 4.605 1.00 0.00 H new ATOM 0 HG12 VAL A 56 6.038 -7.833 4.579 1.00 0.00 H new ATOM 0 HG13 VAL A 56 6.763 -8.580 6.023 1.00 0.00 H new ATOM 0 HG21 VAL A 56 8.537 -10.564 4.461 1.00 0.00 H new ATOM 0 HG22 VAL A 56 7.554 -11.024 5.872 1.00 0.00 H new ATOM 0 HG23 VAL A 56 7.353 -11.886 4.328 1.00 0.00 H new ATOM 898 N LEU A 57 3.607 -9.459 3.157 1.00 0.00 N ATOM 899 CA LEU A 57 2.609 -8.532 2.634 1.00 0.00 C ATOM 900 C LEU A 57 1.283 -8.685 3.374 1.00 0.00 C ATOM 901 O LEU A 57 0.674 -7.698 3.789 1.00 0.00 O ATOM 902 CB LEU A 57 2.401 -8.766 1.137 1.00 0.00 C ATOM 903 CG LEU A 57 3.591 -8.440 0.235 1.00 0.00 C ATOM 904 CD1 LEU A 57 3.486 -9.195 -1.081 1.00 0.00 C ATOM 905 CD2 LEU A 57 3.678 -6.941 -0.013 1.00 0.00 C ATOM 0 H LEU A 57 3.917 -10.166 2.490 1.00 0.00 H new ATOM 0 HA LEU A 57 2.975 -7.517 2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.133 -9.812 0.987 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.549 -8.169 0.811 1.00 0.00 H new ATOM 0 HG LEU A 57 4.503 -8.758 0.740 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.342 -8.950 -1.710 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.474 -10.267 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.567 -8.909 -1.592 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.531 -6.728 -0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.763 -6.599 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.802 -6.422 0.937 1.00 0.00 H new ATOM 917 N LEU A 58 0.843 -9.927 3.536 1.00 0.00 N ATOM 918 CA LEU A 58 -0.410 -10.211 4.228 1.00 0.00 C ATOM 919 C LEU A 58 -0.270 -9.971 5.728 1.00 0.00 C ATOM 920 O LEU A 58 -1.218 -9.550 6.391 1.00 0.00 O ATOM 921 CB LEU A 58 -0.843 -11.655 3.970 1.00 0.00 C ATOM 922 CG LEU A 58 0.180 -12.735 4.321 1.00 0.00 C ATOM 923 CD1 LEU A 58 0.064 -13.124 5.787 1.00 0.00 C ATOM 924 CD2 LEU A 58 -0.004 -13.954 3.429 1.00 0.00 C ATOM 0 H LEU A 58 1.335 -10.754 3.198 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.172 -9.535 3.839 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.754 -11.847 4.538 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.098 -11.754 2.915 1.00 0.00 H new ATOM 0 HG LEU A 58 1.178 -12.332 4.151 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.800 -13.894 6.018 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.246 -12.249 6.411 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.937 -13.508 5.983 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.733 -14.713 3.693 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.007 -14.358 3.568 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.130 -13.666 2.386 1.00 0.00 H new ATOM 936 N ALA A 59 0.920 -10.239 6.257 1.00 0.00 N ATOM 937 CA ALA A 59 1.186 -10.048 7.677 1.00 0.00 C ATOM 938 C ALA A 59 0.986 -8.591 8.082 1.00 0.00 C ATOM 939 O ALA A 59 0.300 -8.299 9.061 1.00 0.00 O ATOM 940 CB ALA A 59 2.597 -10.503 8.016 1.00 0.00 C ATOM 0 H ALA A 59 1.715 -10.589 5.723 1.00 0.00 H new ATOM 0 HA ALA A 59 0.476 -10.655 8.239 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.781 -10.354 9.080 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.707 -11.560 7.773 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.315 -9.921 7.438 1.00 0.00 H new ATOM 946 N GLN A 60 1.590 -7.683 7.322 1.00 0.00 N ATOM 947 CA GLN A 60 1.478 -6.256 7.604 1.00 0.00 C ATOM 948 C GLN A 60 0.113 -5.723 7.183 1.00 0.00 C ATOM 949 O GLN A 60 -0.427 -4.809 7.807 1.00 0.00 O ATOM 950 CB GLN A 60 2.585 -5.485 6.883 1.00 0.00 C ATOM 951 CG GLN A 60 2.478 -5.542 5.368 1.00 0.00 C ATOM 952 CD GLN A 60 3.763 -5.134 4.676 1.00 0.00 C ATOM 953 OE1 GLN A 60 4.365 -5.921 3.945 1.00 0.00 O ATOM 954 NE2 GLN A 60 4.192 -3.897 4.903 1.00 0.00 N ATOM 0 H GLN A 60 2.161 -7.909 6.508 1.00 0.00 H new ATOM 0 HA GLN A 60 1.586 -6.114 8.679 1.00 0.00 H new ATOM 0 HB2 GLN A 60 2.558 -4.443 7.202 1.00 0.00 H new ATOM 0 HB3 GLN A 60 3.552 -5.886 7.186 1.00 0.00 H new ATOM 0 HG2 GLN A 60 2.212 -6.555 5.064 1.00 0.00 H new ATOM 0 HG3 GLN A 60 1.670 -4.888 5.040 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.662 -3.278 5.516 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.051 -3.567 4.464 1.00 0.00 H new ATOM 963 N PHE A 61 -0.441 -6.300 6.122 1.00 0.00 N ATOM 964 CA PHE A 61 -1.743 -5.882 5.617 1.00 0.00 C ATOM 965 C PHE A 61 -2.820 -6.050 6.685 1.00 0.00 C ATOM 966 O PHE A 61 -3.835 -5.353 6.673 1.00 0.00 O ATOM 967 CB PHE A 61 -2.114 -6.690 4.371 1.00 0.00 C ATOM 968 CG PHE A 61 -3.473 -6.359 3.825 1.00 0.00 C ATOM 969 CD1 PHE A 61 -3.822 -5.048 3.545 1.00 0.00 C ATOM 970 CD2 PHE A 61 -4.403 -7.360 3.592 1.00 0.00 C ATOM 971 CE1 PHE A 61 -5.072 -4.741 3.043 1.00 0.00 C ATOM 972 CE2 PHE A 61 -5.655 -7.059 3.090 1.00 0.00 C ATOM 973 CZ PHE A 61 -5.990 -5.748 2.814 1.00 0.00 C ATOM 0 H PHE A 61 -0.008 -7.059 5.595 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.680 -4.827 5.352 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -1.367 -6.513 3.597 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.077 -7.752 4.612 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.109 -4.257 3.721 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -4.146 -8.387 3.805 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.331 -3.715 2.830 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.371 -7.848 2.914 1.00 0.00 H new ATOM 0 HZ PHE A 61 -6.967 -5.510 2.420 1.00 0.00 H new