USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 366 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 43 ASN : amide:sc= 1.21! C(o=2.4!,f=-14!) USER MOD Set 1.2: A 46 SER OG : rot 104:sc= 1.16 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 130:sc= -0.996 USER MOD Single : A 13 ASN : amide:sc= -1.8! C(o=-1.8!,f=-7!) USER MOD Single : A 15 TYR OH : rot 130:sc= -1.65 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0561 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 GLN : amide:sc= -0.044 K(o=-0.044,f=-1.6!) USER MOD Single : A 39 LYS NZ :NH3+ -158:sc= -0.0182 (180deg=-0.7) USER MOD Single : A 41 HIS : no HE2:sc= -2.83! C(o=-2.8!,f=-3.9!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -123:sc= -3.93! (180deg=-5.48!) USER MOD Single : A 53 GLN : amide:sc= -0.795 K(o=-0.79,f=0) USER MOD ----------------------------------------------------------------- ATOM 82 N SER A 7 13.399 1.730 4.038 1.00 0.00 N ATOM 83 CA SER A 7 14.386 1.648 2.923 1.00 0.00 C ATOM 84 C SER A 7 14.088 0.425 2.051 1.00 0.00 C ATOM 85 O SER A 7 13.850 -0.658 2.547 1.00 0.00 O ATOM 86 CB SER A 7 15.746 1.502 3.607 1.00 0.00 C ATOM 87 OG SER A 7 16.775 1.562 2.631 1.00 0.00 O ATOM 0 HA SER A 7 14.352 2.522 2.272 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.882 2.294 4.343 1.00 0.00 H new ATOM 0 HB3 SER A 7 15.795 0.555 4.145 1.00 0.00 H new ATOM 0 HG SER A 7 17.647 1.470 3.069 1.00 0.00 H new ATOM 93 N TYR A 8 14.094 0.592 0.756 1.00 0.00 N ATOM 94 CA TYR A 8 13.807 -0.560 -0.147 1.00 0.00 C ATOM 95 C TYR A 8 14.513 -1.821 0.361 1.00 0.00 C ATOM 96 O TYR A 8 13.913 -2.869 0.493 1.00 0.00 O ATOM 97 CB TYR A 8 14.362 -0.144 -1.510 1.00 0.00 C ATOM 98 CG TYR A 8 13.519 0.975 -2.074 1.00 0.00 C ATOM 99 CD1 TYR A 8 12.123 0.904 -2.002 1.00 0.00 C ATOM 100 CD2 TYR A 8 14.134 2.083 -2.668 1.00 0.00 C ATOM 101 CE1 TYR A 8 11.342 1.942 -2.526 1.00 0.00 C ATOM 102 CE2 TYR A 8 13.354 3.121 -3.191 1.00 0.00 C ATOM 103 CZ TYR A 8 11.957 3.050 -3.120 1.00 0.00 C ATOM 104 OH TYR A 8 11.187 4.073 -3.635 1.00 0.00 O ATOM 0 H TYR A 8 14.285 1.476 0.284 1.00 0.00 H new ATOM 0 HA TYR A 8 12.743 -0.792 -0.195 1.00 0.00 H new ATOM 0 HB2 TYR A 8 15.398 0.181 -1.410 1.00 0.00 H new ATOM 0 HB3 TYR A 8 14.360 -0.995 -2.191 1.00 0.00 H new ATOM 0 HD1 TYR A 8 11.648 0.049 -1.543 1.00 0.00 H new ATOM 0 HD2 TYR A 8 15.211 2.137 -2.723 1.00 0.00 H new ATOM 0 HE1 TYR A 8 10.265 1.887 -2.472 1.00 0.00 H new ATOM 0 HE2 TYR A 8 13.829 3.976 -3.649 1.00 0.00 H new ATOM 0 HH TYR A 8 11.512 4.932 -3.292 1.00 0.00 H new ATOM 114 N ALA A 9 15.783 -1.728 0.648 1.00 0.00 N ATOM 115 CA ALA A 9 16.522 -2.923 1.149 1.00 0.00 C ATOM 116 C ALA A 9 15.756 -3.567 2.307 1.00 0.00 C ATOM 117 O ALA A 9 15.736 -4.773 2.456 1.00 0.00 O ATOM 118 CB ALA A 9 17.870 -2.384 1.627 1.00 0.00 C ATOM 0 H ALA A 9 16.340 -0.878 0.558 1.00 0.00 H new ATOM 0 HA ALA A 9 16.641 -3.689 0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.475 -3.205 2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 9 18.389 -1.911 0.793 1.00 0.00 H new ATOM 0 HB3 ALA A 9 17.709 -1.651 2.417 1.00 0.00 H new ATOM 124 N GLU A 10 15.121 -2.772 3.122 1.00 0.00 N ATOM 125 CA GLU A 10 14.349 -3.338 4.266 1.00 0.00 C ATOM 126 C GLU A 10 12.940 -3.712 3.803 1.00 0.00 C ATOM 127 O GLU A 10 12.343 -4.653 4.289 1.00 0.00 O ATOM 128 CB GLU A 10 14.293 -2.215 5.302 1.00 0.00 C ATOM 129 CG GLU A 10 15.713 -1.747 5.627 1.00 0.00 C ATOM 130 CD GLU A 10 16.441 -2.838 6.416 1.00 0.00 C ATOM 131 OE1 GLU A 10 15.804 -3.822 6.753 1.00 0.00 O ATOM 132 OE2 GLU A 10 17.622 -2.670 6.668 1.00 0.00 O ATOM 0 H GLU A 10 15.102 -1.755 3.047 1.00 0.00 H new ATOM 0 HA GLU A 10 14.806 -4.240 4.673 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.703 -1.382 4.919 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.798 -2.566 6.208 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.254 -1.526 4.707 1.00 0.00 H new ATOM 0 HG3 GLU A 10 15.680 -0.825 6.207 1.00 0.00 H new ATOM 139 N LEU A 11 12.410 -2.985 2.859 1.00 0.00 N ATOM 140 CA LEU A 11 11.045 -3.297 2.351 1.00 0.00 C ATOM 141 C LEU A 11 11.097 -4.539 1.463 1.00 0.00 C ATOM 142 O LEU A 11 10.416 -5.516 1.700 1.00 0.00 O ATOM 143 CB LEU A 11 10.636 -2.070 1.537 1.00 0.00 C ATOM 144 CG LEU A 11 9.112 -1.937 1.539 1.00 0.00 C ATOM 145 CD1 LEU A 11 8.694 -0.884 2.567 1.00 0.00 C ATOM 146 CD2 LEU A 11 8.636 -1.511 0.148 1.00 0.00 C ATOM 0 H LEU A 11 12.865 -2.186 2.416 1.00 0.00 H new ATOM 0 HA LEU A 11 10.336 -3.504 3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 11 11.090 -1.173 1.959 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.002 -2.161 0.514 1.00 0.00 H new ATOM 0 HG LEU A 11 8.663 -2.896 1.798 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.608 -0.789 2.569 1.00 0.00 H new ATOM 0 HD12 LEU A 11 9.034 -1.187 3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.142 0.075 2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.550 -1.416 0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 11 9.084 -0.552 -0.112 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.934 -2.261 -0.584 1.00 0.00 H new ATOM 158 N CYS A 12 11.912 -4.507 0.449 1.00 0.00 N ATOM 159 CA CYS A 12 12.024 -5.687 -0.454 1.00 0.00 C ATOM 160 C CYS A 12 12.634 -6.861 0.311 1.00 0.00 C ATOM 161 O CYS A 12 12.597 -7.992 -0.131 1.00 0.00 O ATOM 162 CB CYS A 12 12.950 -5.240 -1.584 1.00 0.00 C ATOM 163 SG CYS A 12 12.035 -4.176 -2.728 1.00 0.00 S ATOM 0 H CYS A 12 12.507 -3.715 0.205 1.00 0.00 H new ATOM 0 HA CYS A 12 11.057 -6.016 -0.835 1.00 0.00 H new ATOM 0 HB2 CYS A 12 13.806 -4.702 -1.176 1.00 0.00 H new ATOM 0 HB3 CYS A 12 13.342 -6.109 -2.113 1.00 0.00 H new ATOM 168 N ASN A 13 13.191 -6.596 1.462 1.00 0.00 N ATOM 169 CA ASN A 13 13.800 -7.688 2.273 1.00 0.00 C ATOM 170 C ASN A 13 12.909 -8.927 2.232 1.00 0.00 C ATOM 171 O ASN A 13 13.348 -10.014 1.913 1.00 0.00 O ATOM 172 CB ASN A 13 13.863 -7.123 3.691 1.00 0.00 C ATOM 173 CG ASN A 13 14.660 -8.074 4.586 1.00 0.00 C ATOM 174 OD1 ASN A 13 15.657 -8.628 4.168 1.00 0.00 O ATOM 175 ND2 ASN A 13 14.261 -8.288 5.810 1.00 0.00 N ATOM 0 H ASN A 13 13.250 -5.666 1.877 1.00 0.00 H new ATOM 0 HA ASN A 13 14.781 -7.988 1.905 1.00 0.00 H new ATOM 0 HB2 ASN A 13 14.331 -6.139 3.681 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.856 -6.993 4.087 1.00 0.00 H new ATOM 0 HD21 ASN A 13 14.786 -8.920 6.414 1.00 0.00 H new ATOM 0 HD22 ASN A 13 13.424 -7.823 6.162 1.00 0.00 H new ATOM 182 N GLU A 14 11.658 -8.765 2.551 1.00 0.00 N ATOM 183 CA GLU A 14 10.724 -9.926 2.533 1.00 0.00 C ATOM 184 C GLU A 14 10.834 -10.680 1.204 1.00 0.00 C ATOM 185 O GLU A 14 10.577 -11.867 1.134 1.00 0.00 O ATOM 186 CB GLU A 14 9.332 -9.315 2.689 1.00 0.00 C ATOM 187 CG GLU A 14 8.295 -10.433 2.821 1.00 0.00 C ATOM 188 CD GLU A 14 6.902 -9.821 2.970 1.00 0.00 C ATOM 189 OE1 GLU A 14 6.794 -8.611 2.866 1.00 0.00 O ATOM 190 OE2 GLU A 14 5.966 -10.574 3.188 1.00 0.00 O ATOM 0 H GLU A 14 11.239 -7.876 2.825 1.00 0.00 H new ATOM 0 HA GLU A 14 10.946 -10.645 3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.302 -8.671 3.568 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.100 -8.689 1.828 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.328 -11.080 1.944 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.524 -11.056 3.685 1.00 0.00 H new ATOM 197 N TYR A 15 11.214 -10.009 0.148 1.00 0.00 N ATOM 198 CA TYR A 15 11.335 -10.704 -1.164 1.00 0.00 C ATOM 199 C TYR A 15 12.759 -11.234 -1.351 1.00 0.00 C ATOM 200 O TYR A 15 13.086 -11.816 -2.365 1.00 0.00 O ATOM 201 CB TYR A 15 11.011 -9.639 -2.211 1.00 0.00 C ATOM 202 CG TYR A 15 9.566 -9.224 -2.072 1.00 0.00 C ATOM 203 CD1 TYR A 15 8.556 -9.988 -2.668 1.00 0.00 C ATOM 204 CD2 TYR A 15 9.237 -8.073 -1.346 1.00 0.00 C ATOM 205 CE1 TYR A 15 7.216 -9.602 -2.536 1.00 0.00 C ATOM 206 CE2 TYR A 15 7.899 -7.686 -1.216 1.00 0.00 C ATOM 207 CZ TYR A 15 6.888 -8.451 -1.811 1.00 0.00 C ATOM 208 OH TYR A 15 5.567 -8.069 -1.683 1.00 0.00 O ATOM 0 H TYR A 15 11.444 -9.015 0.139 1.00 0.00 H new ATOM 0 HA TYR A 15 10.667 -11.562 -1.241 1.00 0.00 H new ATOM 0 HB2 TYR A 15 11.663 -8.775 -2.081 1.00 0.00 H new ATOM 0 HB3 TYR A 15 11.194 -10.029 -3.212 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.810 -10.875 -3.230 1.00 0.00 H new ATOM 0 HD2 TYR A 15 10.016 -7.484 -0.886 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.436 -10.193 -2.994 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.646 -6.797 -0.657 1.00 0.00 H new ATOM 0 HH TYR A 15 5.366 -7.897 -0.739 1.00 0.00 H new ATOM 218 N ARG A 16 13.604 -11.047 -0.374 1.00 0.00 N ATOM 219 CA ARG A 16 15.000 -11.553 -0.496 1.00 0.00 C ATOM 220 C ARG A 16 15.006 -13.077 -0.383 1.00 0.00 C ATOM 221 O ARG A 16 15.836 -13.751 -0.960 1.00 0.00 O ATOM 222 CB ARG A 16 15.759 -10.913 0.663 1.00 0.00 C ATOM 223 CG ARG A 16 15.995 -9.438 0.346 1.00 0.00 C ATOM 224 CD ARG A 16 16.941 -8.832 1.381 1.00 0.00 C ATOM 225 NE ARG A 16 16.801 -7.360 1.203 1.00 0.00 N ATOM 226 CZ ARG A 16 17.783 -6.566 1.536 1.00 0.00 C ATOM 227 NH1 ARG A 16 18.517 -6.838 2.580 1.00 0.00 N ATOM 228 NH2 ARG A 16 18.032 -5.502 0.822 1.00 0.00 N ATOM 0 H ARG A 16 13.389 -10.568 0.500 1.00 0.00 H new ATOM 0 HA ARG A 16 15.456 -11.304 -1.454 1.00 0.00 H new ATOM 0 HB2 ARG A 16 15.190 -11.013 1.587 1.00 0.00 H new ATOM 0 HB3 ARG A 16 16.710 -11.422 0.817 1.00 0.00 H new ATOM 0 HG2 ARG A 16 16.419 -9.334 -0.653 1.00 0.00 H new ATOM 0 HG3 ARG A 16 15.047 -8.900 0.347 1.00 0.00 H new ATOM 0 HD2 ARG A 16 16.670 -9.136 2.392 1.00 0.00 H new ATOM 0 HD3 ARG A 16 17.969 -9.155 1.216 1.00 0.00 H new ATOM 0 HE ARG A 16 15.938 -6.972 0.821 1.00 0.00 H new ATOM 0 HH11 ARG A 16 18.324 -7.671 3.136 1.00 0.00 H new ATOM 0 HH12 ARG A 16 19.284 -6.218 2.840 1.00 0.00 H new ATOM 0 HH21 ARG A 16 17.460 -5.291 0.004 1.00 0.00 H new ATOM 0 HH22 ARG A 16 18.799 -4.882 1.082 1.00 0.00 H new ATOM 242 N LYS A 17 14.068 -13.625 0.337 1.00 0.00 N ATOM 243 CA LYS A 17 14.001 -15.106 0.466 1.00 0.00 C ATOM 244 C LYS A 17 13.462 -15.696 -0.840 1.00 0.00 C ATOM 245 O LYS A 17 13.378 -16.897 -1.009 1.00 0.00 O ATOM 246 CB LYS A 17 13.029 -15.369 1.619 1.00 0.00 C ATOM 247 CG LYS A 17 13.333 -14.413 2.776 1.00 0.00 C ATOM 248 CD LYS A 17 12.677 -14.936 4.055 1.00 0.00 C ATOM 249 CE LYS A 17 11.193 -14.567 4.053 1.00 0.00 C ATOM 250 NZ LYS A 17 10.761 -14.715 5.472 1.00 0.00 N ATOM 0 H LYS A 17 13.345 -13.111 0.841 1.00 0.00 H new ATOM 0 HA LYS A 17 14.974 -15.558 0.659 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.002 -15.231 1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.118 -16.402 1.955 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.410 -14.326 2.916 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.960 -13.415 2.545 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.794 -16.018 4.120 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.168 -14.509 4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 17 11.039 -13.548 3.697 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.623 -15.224 3.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.751 -14.479 5.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.913 -15.696 5.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.316 -14.073 6.073 1.00 0.00 H new ATOM 264 N LEU A 18 13.098 -14.848 -1.766 1.00 0.00 N ATOM 265 CA LEU A 18 12.565 -15.330 -3.068 1.00 0.00 C ATOM 266 C LEU A 18 13.626 -15.140 -4.155 1.00 0.00 C ATOM 267 O LEU A 18 13.813 -15.982 -5.011 1.00 0.00 O ATOM 268 CB LEU A 18 11.349 -14.442 -3.348 1.00 0.00 C ATOM 269 CG LEU A 18 10.297 -14.629 -2.249 1.00 0.00 C ATOM 270 CD1 LEU A 18 10.755 -13.930 -0.967 1.00 0.00 C ATOM 271 CD2 LEU A 18 8.973 -14.015 -2.706 1.00 0.00 C ATOM 0 H LEU A 18 13.149 -13.834 -1.672 1.00 0.00 H new ATOM 0 HA LEU A 18 12.300 -16.387 -3.050 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.655 -13.397 -3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.921 -14.693 -4.319 1.00 0.00 H new ATOM 0 HG LEU A 18 10.167 -15.694 -2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.003 -14.066 -0.190 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.701 -14.359 -0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.888 -12.866 -1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.223 -14.146 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.113 -12.951 -2.900 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.639 -14.509 -3.618 1.00 0.00 H new ATOM 283 N VAL A 19 14.323 -14.036 -4.121 1.00 0.00 N ATOM 284 CA VAL A 19 15.378 -13.782 -5.144 1.00 0.00 C ATOM 285 C VAL A 19 16.348 -14.966 -5.202 1.00 0.00 C ATOM 286 O VAL A 19 16.739 -15.510 -4.189 1.00 0.00 O ATOM 287 CB VAL A 19 16.099 -12.520 -4.662 1.00 0.00 C ATOM 288 CG1 VAL A 19 17.204 -12.153 -5.653 1.00 0.00 C ATOM 289 CG2 VAL A 19 15.100 -11.364 -4.562 1.00 0.00 C ATOM 0 H VAL A 19 14.207 -13.297 -3.427 1.00 0.00 H new ATOM 0 HA VAL A 19 14.965 -13.658 -6.145 1.00 0.00 H new ATOM 0 HB VAL A 19 16.537 -12.707 -3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 19 17.717 -11.255 -5.310 1.00 0.00 H new ATOM 0 HG12 VAL A 19 17.918 -12.974 -5.723 1.00 0.00 H new ATOM 0 HG13 VAL A 19 16.766 -11.968 -6.634 1.00 0.00 H new ATOM 0 HG21 VAL A 19 15.615 -10.467 -4.219 1.00 0.00 H new ATOM 0 HG22 VAL A 19 14.660 -11.178 -5.542 1.00 0.00 H new ATOM 0 HG23 VAL A 19 14.313 -11.624 -3.854 1.00 0.00 H new ATOM 299 N ARG A 20 16.740 -15.369 -6.381 1.00 0.00 N ATOM 300 CA ARG A 20 17.683 -16.518 -6.499 1.00 0.00 C ATOM 301 C ARG A 20 19.113 -16.011 -6.713 1.00 0.00 C ATOM 302 O ARG A 20 19.840 -15.762 -5.773 1.00 0.00 O ATOM 303 CB ARG A 20 17.201 -17.300 -7.720 1.00 0.00 C ATOM 304 CG ARG A 20 15.819 -17.889 -7.435 1.00 0.00 C ATOM 305 CD ARG A 20 15.771 -19.337 -7.925 1.00 0.00 C ATOM 306 NE ARG A 20 14.512 -19.893 -7.353 1.00 0.00 N ATOM 307 CZ ARG A 20 14.369 -21.182 -7.221 1.00 0.00 C ATOM 308 NH1 ARG A 20 13.667 -21.855 -8.091 1.00 0.00 N ATOM 309 NH2 ARG A 20 14.930 -21.801 -6.217 1.00 0.00 N ATOM 0 H ARG A 20 16.449 -14.953 -7.266 1.00 0.00 H new ATOM 0 HA ARG A 20 17.698 -17.135 -5.600 1.00 0.00 H new ATOM 0 HB2 ARG A 20 17.157 -16.645 -8.590 1.00 0.00 H new ATOM 0 HB3 ARG A 20 17.906 -18.097 -7.956 1.00 0.00 H new ATOM 0 HG2 ARG A 20 15.608 -17.848 -6.366 1.00 0.00 H new ATOM 0 HG3 ARG A 20 15.050 -17.299 -7.934 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.766 -19.386 -9.014 1.00 0.00 H new ATOM 0 HD3 ARG A 20 16.641 -19.898 -7.585 1.00 0.00 H new ATOM 0 HE ARG A 20 13.762 -19.265 -7.065 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.229 -21.373 -8.876 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.556 -22.864 -7.986 1.00 0.00 H new ATOM 0 HH21 ARG A 20 15.480 -21.276 -5.537 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.819 -22.810 -6.113 1.00 0.00 H new ATOM 323 N ASN A 21 19.521 -15.855 -7.943 1.00 0.00 N ATOM 324 CA ASN A 21 20.902 -15.363 -8.215 1.00 0.00 C ATOM 325 C ASN A 21 20.846 -14.123 -9.111 1.00 0.00 C ATOM 326 O ASN A 21 21.563 -14.017 -10.086 1.00 0.00 O ATOM 327 CB ASN A 21 21.598 -16.517 -8.935 1.00 0.00 C ATOM 328 CG ASN A 21 21.724 -17.708 -7.986 1.00 0.00 C ATOM 329 OD1 ASN A 21 22.667 -17.798 -7.225 1.00 0.00 O ATOM 330 ND2 ASN A 21 20.806 -18.634 -8.000 1.00 0.00 N ATOM 0 H ASN A 21 18.958 -16.047 -8.771 1.00 0.00 H new ATOM 0 HA ASN A 21 21.430 -15.077 -7.305 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.030 -16.803 -9.820 1.00 0.00 H new ATOM 0 HB3 ASN A 21 22.585 -16.204 -9.276 1.00 0.00 H new ATOM 0 HD21 ASN A 21 20.879 -19.434 -7.372 1.00 0.00 H new ATOM 0 HD22 ASN A 21 20.015 -18.558 -8.639 1.00 0.00 H new ATOM 337 N GLY A 22 19.995 -13.189 -8.788 1.00 0.00 N ATOM 338 CA GLY A 22 19.885 -11.959 -9.621 1.00 0.00 C ATOM 339 C GLY A 22 18.488 -11.897 -10.242 1.00 0.00 C ATOM 340 O GLY A 22 18.238 -11.141 -11.159 1.00 0.00 O ATOM 0 H GLY A 22 19.370 -13.225 -7.982 1.00 0.00 H new ATOM 0 HA2 GLY A 22 20.064 -11.074 -9.010 1.00 0.00 H new ATOM 0 HA3 GLY A 22 20.644 -11.966 -10.403 1.00 0.00 H new ATOM 344 N LYS A 23 17.577 -12.690 -9.747 1.00 0.00 N ATOM 345 CA LYS A 23 16.196 -12.683 -10.308 1.00 0.00 C ATOM 346 C LYS A 23 15.169 -12.829 -9.181 1.00 0.00 C ATOM 347 O LYS A 23 15.348 -13.603 -8.262 1.00 0.00 O ATOM 348 CB LYS A 23 16.143 -13.890 -11.243 1.00 0.00 C ATOM 349 CG LYS A 23 14.694 -14.160 -11.653 1.00 0.00 C ATOM 350 CD LYS A 23 14.539 -13.931 -13.157 1.00 0.00 C ATOM 351 CE LYS A 23 13.156 -14.407 -13.606 1.00 0.00 C ATOM 352 NZ LYS A 23 13.287 -14.628 -15.074 1.00 0.00 N ATOM 0 H LYS A 23 17.730 -13.343 -8.978 1.00 0.00 H new ATOM 0 HA LYS A 23 15.965 -11.754 -10.830 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.753 -13.705 -12.127 1.00 0.00 H new ATOM 0 HB3 LYS A 23 16.560 -14.766 -10.746 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.418 -15.184 -11.400 1.00 0.00 H new ATOM 0 HG3 LYS A 23 14.021 -13.503 -11.103 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.664 -12.873 -13.389 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.315 -14.471 -13.700 1.00 0.00 H new ATOM 0 HE2 LYS A 23 12.867 -15.324 -13.092 1.00 0.00 H new ATOM 0 HE3 LYS A 23 12.391 -13.663 -13.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 12.378 -14.957 -15.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 13.556 -13.736 -15.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 14.018 -15.346 -15.253 1.00 0.00 H new ATOM 366 N LEU A 24 14.096 -12.090 -9.245 1.00 0.00 N ATOM 367 CA LEU A 24 13.059 -12.187 -8.177 1.00 0.00 C ATOM 368 C LEU A 24 11.931 -13.126 -8.615 1.00 0.00 C ATOM 369 O LEU A 24 11.490 -13.095 -9.746 1.00 0.00 O ATOM 370 CB LEU A 24 12.534 -10.761 -8.006 1.00 0.00 C ATOM 371 CG LEU A 24 12.414 -10.429 -6.517 1.00 0.00 C ATOM 372 CD1 LEU A 24 11.588 -9.155 -6.343 1.00 0.00 C ATOM 373 CD2 LEU A 24 11.724 -11.584 -5.787 1.00 0.00 C ATOM 0 H LEU A 24 13.892 -11.423 -9.990 1.00 0.00 H new ATOM 0 HA LEU A 24 13.461 -12.589 -7.247 1.00 0.00 H new ATOM 0 HB2 LEU A 24 13.207 -10.055 -8.493 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.563 -10.661 -8.490 1.00 0.00 H new ATOM 0 HG LEU A 24 13.410 -10.279 -6.100 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.503 -8.919 -5.282 1.00 0.00 H new ATOM 0 HD12 LEU A 24 12.078 -8.330 -6.860 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.593 -9.306 -6.762 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.640 -11.346 -4.727 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.729 -11.736 -6.205 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.312 -12.494 -5.909 1.00 0.00 H new ATOM 385 N ALA A 25 11.460 -13.958 -7.726 1.00 0.00 N ATOM 386 CA ALA A 25 10.361 -14.896 -8.092 1.00 0.00 C ATOM 387 C ALA A 25 9.098 -14.563 -7.292 1.00 0.00 C ATOM 388 O ALA A 25 9.150 -14.325 -6.102 1.00 0.00 O ATOM 389 CB ALA A 25 10.883 -16.284 -7.717 1.00 0.00 C ATOM 0 H ALA A 25 11.789 -14.029 -6.763 1.00 0.00 H new ATOM 0 HA ALA A 25 10.096 -14.833 -9.147 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.129 -17.033 -7.957 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.794 -16.494 -8.278 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.099 -16.315 -6.649 1.00 0.00 H new ATOM 395 N CYS A 26 7.964 -14.542 -7.937 1.00 0.00 N ATOM 396 CA CYS A 26 6.700 -14.222 -7.211 1.00 0.00 C ATOM 397 C CYS A 26 5.494 -14.770 -7.978 1.00 0.00 C ATOM 398 O CYS A 26 5.635 -15.498 -8.940 1.00 0.00 O ATOM 399 CB CYS A 26 6.653 -12.696 -7.157 1.00 0.00 C ATOM 400 SG CYS A 26 6.976 -12.141 -5.464 1.00 0.00 S ATOM 0 H CYS A 26 7.857 -14.732 -8.933 1.00 0.00 H new ATOM 0 HA CYS A 26 6.670 -14.667 -6.217 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.394 -12.275 -7.837 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.677 -12.340 -7.488 1.00 0.00 H new ATOM 405 N THR A 27 4.306 -14.426 -7.557 1.00 0.00 N ATOM 406 CA THR A 27 3.091 -14.927 -8.261 1.00 0.00 C ATOM 407 C THR A 27 2.424 -13.791 -9.041 1.00 0.00 C ATOM 408 O THR A 27 2.909 -12.677 -9.070 1.00 0.00 O ATOM 409 CB THR A 27 2.168 -15.427 -7.150 1.00 0.00 C ATOM 410 OG1 THR A 27 2.183 -14.502 -6.072 1.00 0.00 O ATOM 411 CG2 THR A 27 2.650 -16.794 -6.659 1.00 0.00 C ATOM 0 H THR A 27 4.125 -13.820 -6.757 1.00 0.00 H new ATOM 0 HA THR A 27 3.326 -15.711 -8.981 1.00 0.00 H new ATOM 0 HB THR A 27 1.153 -15.520 -7.535 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.590 -14.820 -5.359 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.991 -17.149 -5.867 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.637 -17.503 -7.487 1.00 0.00 H new ATOM 0 HG23 THR A 27 3.666 -16.705 -6.273 1.00 0.00 H new ATOM 419 N ARG A 28 1.315 -14.062 -9.673 1.00 0.00 N ATOM 420 CA ARG A 28 0.619 -12.996 -10.450 1.00 0.00 C ATOM 421 C ARG A 28 -0.495 -12.370 -9.606 1.00 0.00 C ATOM 422 O ARG A 28 -1.603 -12.181 -10.067 1.00 0.00 O ATOM 423 CB ARG A 28 0.033 -13.712 -11.666 1.00 0.00 C ATOM 424 CG ARG A 28 1.166 -14.313 -12.500 1.00 0.00 C ATOM 425 CD ARG A 28 0.588 -14.929 -13.776 1.00 0.00 C ATOM 426 NE ARG A 28 1.714 -15.703 -14.371 1.00 0.00 N ATOM 427 CZ ARG A 28 2.330 -15.250 -15.430 1.00 0.00 C ATOM 428 NH1 ARG A 28 1.659 -14.624 -16.356 1.00 0.00 N ATOM 429 NH2 ARG A 28 3.616 -15.426 -15.560 1.00 0.00 N ATOM 0 H ARG A 28 0.860 -14.975 -9.685 1.00 0.00 H new ATOM 0 HA ARG A 28 1.291 -12.188 -10.738 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -0.652 -14.497 -11.344 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.545 -13.012 -12.269 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.894 -13.542 -12.753 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.693 -15.073 -11.923 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.261 -15.575 -13.553 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.232 -14.159 -14.461 1.00 0.00 H new ATOM 0 HE ARG A 28 2.004 -16.586 -13.951 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.653 -14.488 -16.253 1.00 0.00 H new ATOM 0 HH12 ARG A 28 2.140 -14.270 -17.183 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.139 -15.917 -14.835 1.00 0.00 H new ATOM 0 HH22 ARG A 28 4.098 -15.073 -16.387 1.00 0.00 H new ATOM 443 N GLU A 29 -0.211 -12.047 -8.375 1.00 0.00 N ATOM 444 CA GLU A 29 -1.256 -11.433 -7.504 1.00 0.00 C ATOM 445 C GLU A 29 -1.793 -10.153 -8.149 1.00 0.00 C ATOM 446 O GLU A 29 -1.190 -9.597 -9.045 1.00 0.00 O ATOM 447 CB GLU A 29 -0.541 -11.116 -6.190 1.00 0.00 C ATOM 448 CG GLU A 29 0.420 -9.945 -6.401 1.00 0.00 C ATOM 449 CD GLU A 29 1.159 -9.651 -5.095 1.00 0.00 C ATOM 450 OE1 GLU A 29 1.004 -10.423 -4.163 1.00 0.00 O ATOM 451 OE2 GLU A 29 1.867 -8.659 -5.047 1.00 0.00 O ATOM 0 H GLU A 29 0.699 -12.181 -7.933 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.110 -12.094 -7.352 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.269 -10.868 -5.418 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.007 -11.991 -5.841 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.134 -10.184 -7.189 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -0.131 -9.063 -6.726 1.00 0.00 H new ATOM 458 N ASN A 30 -2.924 -9.682 -7.700 1.00 0.00 N ATOM 459 CA ASN A 30 -3.499 -8.439 -8.291 1.00 0.00 C ATOM 460 C ASN A 30 -3.237 -7.245 -7.369 1.00 0.00 C ATOM 461 O ASN A 30 -4.147 -6.545 -6.969 1.00 0.00 O ATOM 462 CB ASN A 30 -5.002 -8.707 -8.408 1.00 0.00 C ATOM 463 CG ASN A 30 -5.233 -10.122 -8.931 1.00 0.00 C ATOM 464 OD1 ASN A 30 -5.609 -11.006 -8.188 1.00 0.00 O ATOM 465 ND2 ASN A 30 -5.020 -10.374 -10.191 1.00 0.00 N ATOM 0 H ASN A 30 -3.474 -10.103 -6.951 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.054 -8.200 -9.257 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.480 -8.586 -7.436 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.459 -7.981 -9.080 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.169 -11.315 -10.555 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.704 -9.630 -10.814 1.00 0.00 H new ATOM 472 N ASP A 31 -2.000 -7.005 -7.032 1.00 0.00 N ATOM 473 CA ASP A 31 -1.680 -5.855 -6.139 1.00 0.00 C ATOM 474 C ASP A 31 -0.612 -4.966 -6.788 1.00 0.00 C ATOM 475 O ASP A 31 0.523 -4.947 -6.352 1.00 0.00 O ATOM 476 CB ASP A 31 -1.144 -6.488 -4.854 1.00 0.00 C ATOM 477 CG ASP A 31 -1.124 -5.441 -3.739 1.00 0.00 C ATOM 478 OD1 ASP A 31 -0.230 -4.612 -3.747 1.00 0.00 O ATOM 479 OD2 ASP A 31 -2.004 -5.488 -2.895 1.00 0.00 O ATOM 0 H ASP A 31 -1.197 -7.555 -7.336 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.548 -5.223 -5.949 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.769 -7.332 -4.564 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.140 -6.878 -5.020 1.00 0.00 H new ATOM 484 N PRO A 32 -1.007 -4.256 -7.816 1.00 0.00 N ATOM 485 CA PRO A 32 -0.070 -3.360 -8.530 1.00 0.00 C ATOM 486 C PRO A 32 0.445 -2.265 -7.594 1.00 0.00 C ATOM 487 O PRO A 32 -0.162 -1.955 -6.589 1.00 0.00 O ATOM 488 CB PRO A 32 -0.945 -2.768 -9.639 1.00 0.00 C ATOM 489 CG PRO A 32 -2.364 -3.354 -9.514 1.00 0.00 C ATOM 490 CD PRO A 32 -2.402 -4.309 -8.315 1.00 0.00 C ATOM 0 HA PRO A 32 0.817 -3.868 -8.908 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -0.976 -1.682 -9.556 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -0.525 -3.001 -10.617 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.092 -2.554 -9.382 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.635 -3.884 -10.427 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.116 -3.982 -7.559 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -2.689 -5.318 -8.609 1.00 0.00 H new ATOM 498 N ILE A 33 1.562 -1.680 -7.922 1.00 0.00 N ATOM 499 CA ILE A 33 2.124 -0.600 -7.058 1.00 0.00 C ATOM 500 C ILE A 33 2.944 0.376 -7.905 1.00 0.00 C ATOM 501 O ILE A 33 2.840 0.407 -9.116 1.00 0.00 O ATOM 502 CB ILE A 33 3.019 -1.314 -6.033 1.00 0.00 C ATOM 503 CG1 ILE A 33 4.370 -1.662 -6.665 1.00 0.00 C ATOM 504 CG2 ILE A 33 2.338 -2.599 -5.555 1.00 0.00 C ATOM 505 CD1 ILE A 33 4.145 -2.491 -7.928 1.00 0.00 C ATOM 0 H ILE A 33 2.112 -1.902 -8.752 1.00 0.00 H new ATOM 0 HA ILE A 33 1.342 -0.020 -6.568 1.00 0.00 H new ATOM 0 HB ILE A 33 3.179 -0.649 -5.185 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.915 -0.750 -6.908 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.982 -2.219 -5.956 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.977 -3.101 -4.829 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.383 -2.353 -5.090 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.168 -3.259 -6.406 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.107 -2.738 -8.377 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.618 -3.410 -7.671 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.550 -1.917 -8.638 1.00 0.00 H new ATOM 517 N GLN A 34 3.757 1.170 -7.273 1.00 0.00 N ATOM 518 CA GLN A 34 4.590 2.148 -8.030 1.00 0.00 C ATOM 519 C GLN A 34 6.056 2.037 -7.601 1.00 0.00 C ATOM 520 O GLN A 34 6.358 1.742 -6.462 1.00 0.00 O ATOM 521 CB GLN A 34 4.026 3.520 -7.660 1.00 0.00 C ATOM 522 CG GLN A 34 2.530 3.558 -7.979 1.00 0.00 C ATOM 523 CD GLN A 34 1.919 4.840 -7.409 1.00 0.00 C ATOM 524 OE1 GLN A 34 2.410 5.381 -6.438 1.00 0.00 O ATOM 525 NE2 GLN A 34 0.862 5.352 -7.977 1.00 0.00 N ATOM 0 H GLN A 34 3.883 1.186 -6.261 1.00 0.00 H new ATOM 0 HA GLN A 34 4.559 1.972 -9.105 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.188 3.718 -6.601 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.547 4.301 -8.214 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.376 3.517 -9.057 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.034 2.686 -7.553 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.450 4.897 -8.792 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.447 6.207 -7.606 1.00 0.00 H new ATOM 534 N GLY A 35 6.968 2.269 -8.506 1.00 0.00 N ATOM 535 CA GLY A 35 8.411 2.176 -8.148 1.00 0.00 C ATOM 536 C GLY A 35 8.938 3.568 -7.777 1.00 0.00 C ATOM 537 O GLY A 35 8.231 4.547 -7.906 1.00 0.00 O ATOM 0 H GLY A 35 6.776 2.519 -9.476 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.545 1.490 -7.312 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.979 1.772 -8.986 1.00 0.00 H new ATOM 541 N PRO A 36 10.167 3.611 -7.325 1.00 0.00 N ATOM 542 CA PRO A 36 10.791 4.896 -6.931 1.00 0.00 C ATOM 543 C PRO A 36 10.886 5.843 -8.133 1.00 0.00 C ATOM 544 O PRO A 36 11.003 7.042 -7.981 1.00 0.00 O ATOM 545 CB PRO A 36 12.183 4.465 -6.458 1.00 0.00 C ATOM 546 CG PRO A 36 12.303 2.935 -6.603 1.00 0.00 C ATOM 547 CD PRO A 36 10.994 2.387 -7.185 1.00 0.00 C ATOM 0 HA PRO A 36 10.228 5.440 -6.172 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.953 4.962 -7.048 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.337 4.759 -5.420 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.140 2.683 -7.254 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.505 2.479 -5.634 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.152 1.892 -8.143 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.529 1.657 -6.522 1.00 0.00 H new ATOM 555 N ASP A 37 10.839 5.314 -9.325 1.00 0.00 N ATOM 556 CA ASP A 37 10.931 6.187 -10.531 1.00 0.00 C ATOM 557 C ASP A 37 9.536 6.639 -10.966 1.00 0.00 C ATOM 558 O ASP A 37 9.359 7.197 -12.031 1.00 0.00 O ATOM 559 CB ASP A 37 11.573 5.313 -11.608 1.00 0.00 C ATOM 560 CG ASP A 37 13.006 4.968 -11.198 1.00 0.00 C ATOM 561 OD1 ASP A 37 13.487 5.560 -10.246 1.00 0.00 O ATOM 562 OD2 ASP A 37 13.598 4.118 -11.843 1.00 0.00 O ATOM 0 H ASP A 37 10.741 4.317 -9.516 1.00 0.00 H new ATOM 0 HA ASP A 37 11.511 7.090 -10.342 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.993 4.400 -11.744 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.573 5.837 -12.564 1.00 0.00 H new ATOM 567 N GLY A 38 8.547 6.407 -10.151 1.00 0.00 N ATOM 568 CA GLY A 38 7.167 6.828 -10.517 1.00 0.00 C ATOM 569 C GLY A 38 6.558 5.811 -11.486 1.00 0.00 C ATOM 570 O GLY A 38 5.401 5.902 -11.848 1.00 0.00 O ATOM 0 H GLY A 38 8.634 5.944 -9.246 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.551 6.906 -9.621 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.188 7.816 -10.977 1.00 0.00 H new ATOM 574 N LYS A 39 7.325 4.842 -11.908 1.00 0.00 N ATOM 575 CA LYS A 39 6.786 3.823 -12.852 1.00 0.00 C ATOM 576 C LYS A 39 5.980 2.767 -12.091 1.00 0.00 C ATOM 577 O LYS A 39 6.214 2.515 -10.925 1.00 0.00 O ATOM 578 CB LYS A 39 8.018 3.192 -13.501 1.00 0.00 C ATOM 579 CG LYS A 39 7.593 2.397 -14.737 1.00 0.00 C ATOM 580 CD LYS A 39 8.821 1.740 -15.369 1.00 0.00 C ATOM 581 CE LYS A 39 8.427 1.090 -16.697 1.00 0.00 C ATOM 582 NZ LYS A 39 7.497 -0.012 -16.320 1.00 0.00 N ATOM 0 H LYS A 39 8.301 4.713 -11.640 1.00 0.00 H new ATOM 0 HA LYS A 39 6.115 4.261 -13.591 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.731 3.967 -13.782 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.522 2.537 -12.790 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.863 1.637 -14.460 1.00 0.00 H new ATOM 0 HG3 LYS A 39 7.109 3.056 -15.458 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.600 2.484 -15.534 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.233 0.990 -14.694 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.943 1.807 -17.360 1.00 0.00 H new ATOM 0 HE3 LYS A 39 9.301 0.707 -17.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 7.473 -0.721 -17.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.826 -0.459 -15.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 6.542 0.374 -16.176 1.00 0.00 H new ATOM 596 N VAL A 40 5.033 2.147 -12.740 1.00 0.00 N ATOM 597 CA VAL A 40 4.213 1.108 -12.054 1.00 0.00 C ATOM 598 C VAL A 40 4.627 -0.289 -12.524 1.00 0.00 C ATOM 599 O VAL A 40 4.977 -0.490 -13.670 1.00 0.00 O ATOM 600 CB VAL A 40 2.771 1.407 -12.464 1.00 0.00 C ATOM 601 CG1 VAL A 40 1.847 0.319 -11.912 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.352 2.766 -11.901 1.00 0.00 C ATOM 0 H VAL A 40 4.791 2.315 -13.717 1.00 0.00 H new ATOM 0 HA VAL A 40 4.341 1.129 -10.972 1.00 0.00 H new ATOM 0 HB VAL A 40 2.699 1.427 -13.551 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.819 0.532 -12.204 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.145 -0.650 -12.313 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.918 0.298 -10.825 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.324 2.980 -12.193 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.424 2.747 -10.814 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.009 3.541 -12.295 1.00 0.00 H new ATOM 612 N HIS A 41 4.592 -1.255 -11.648 1.00 0.00 N ATOM 613 CA HIS A 41 4.984 -2.639 -12.044 1.00 0.00 C ATOM 614 C HIS A 41 3.813 -3.602 -11.830 1.00 0.00 C ATOM 615 O HIS A 41 2.767 -3.224 -11.342 1.00 0.00 O ATOM 616 CB HIS A 41 6.149 -2.998 -11.122 1.00 0.00 C ATOM 617 CG HIS A 41 7.133 -1.860 -11.090 1.00 0.00 C ATOM 618 ND1 HIS A 41 8.226 -1.805 -11.940 1.00 0.00 N ATOM 619 CD2 HIS A 41 7.201 -0.729 -10.316 1.00 0.00 C ATOM 620 CE1 HIS A 41 8.900 -0.674 -11.660 1.00 0.00 C ATOM 621 NE2 HIS A 41 8.317 0.020 -10.678 1.00 0.00 N ATOM 0 H HIS A 41 4.309 -1.147 -10.674 1.00 0.00 H new ATOM 0 HA HIS A 41 5.261 -2.706 -13.096 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.781 -3.203 -10.117 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.638 -3.906 -11.474 1.00 0.00 H new ATOM 0 HD1 HIS A 41 8.474 -2.495 -12.648 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.496 -0.461 -9.543 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.802 -0.365 -12.167 1.00 0.00 H new ATOM 629 N GLY A 42 3.981 -4.844 -12.194 1.00 0.00 N ATOM 630 CA GLY A 42 2.878 -5.830 -12.012 1.00 0.00 C ATOM 631 C GLY A 42 2.509 -5.916 -10.529 1.00 0.00 C ATOM 632 O GLY A 42 1.367 -5.742 -10.153 1.00 0.00 O ATOM 0 H GLY A 42 4.834 -5.219 -12.609 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.008 -5.531 -12.597 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.187 -6.809 -12.378 1.00 0.00 H new ATOM 636 N ASN A 43 3.467 -6.183 -9.685 1.00 0.00 N ATOM 637 CA ASN A 43 3.170 -6.280 -8.227 1.00 0.00 C ATOM 638 C ASN A 43 4.347 -5.746 -7.410 1.00 0.00 C ATOM 639 O ASN A 43 5.251 -5.128 -7.935 1.00 0.00 O ATOM 640 CB ASN A 43 2.968 -7.772 -7.960 1.00 0.00 C ATOM 641 CG ASN A 43 4.165 -8.553 -8.506 1.00 0.00 C ATOM 642 OD1 ASN A 43 5.005 -8.002 -9.188 1.00 0.00 O ATOM 643 ND2 ASN A 43 4.279 -9.825 -8.232 1.00 0.00 N ATOM 0 H ASN A 43 4.442 -6.338 -9.941 1.00 0.00 H new ATOM 0 HA ASN A 43 2.295 -5.693 -7.946 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.861 -7.950 -6.890 1.00 0.00 H new ATOM 0 HB3 ASN A 43 2.049 -8.116 -8.434 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.073 -10.355 -8.591 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.574 -10.288 -7.659 1.00 0.00 H new ATOM 650 N THR A 44 4.340 -5.982 -6.129 1.00 0.00 N ATOM 651 CA THR A 44 5.458 -5.489 -5.273 1.00 0.00 C ATOM 652 C THR A 44 6.771 -6.154 -5.688 1.00 0.00 C ATOM 653 O THR A 44 7.826 -5.554 -5.629 1.00 0.00 O ATOM 654 CB THR A 44 5.076 -5.893 -3.849 1.00 0.00 C ATOM 655 OG1 THR A 44 3.965 -5.119 -3.421 1.00 0.00 O ATOM 656 CG2 THR A 44 6.260 -5.651 -2.912 1.00 0.00 C ATOM 0 H THR A 44 3.609 -6.495 -5.636 1.00 0.00 H new ATOM 0 HA THR A 44 5.605 -4.413 -5.363 1.00 0.00 H new ATOM 0 HB THR A 44 4.812 -6.950 -3.830 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.718 -5.378 -2.509 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.986 -5.940 -1.897 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.112 -6.246 -3.241 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.527 -4.594 -2.929 1.00 0.00 H new ATOM 664 N CYS A 45 6.718 -7.387 -6.111 1.00 0.00 N ATOM 665 CA CYS A 45 7.971 -8.076 -6.531 1.00 0.00 C ATOM 666 C CYS A 45 8.537 -7.392 -7.775 1.00 0.00 C ATOM 667 O CYS A 45 9.641 -6.887 -7.764 1.00 0.00 O ATOM 668 CB CYS A 45 7.568 -9.515 -6.844 1.00 0.00 C ATOM 669 SG CYS A 45 6.547 -10.167 -5.500 1.00 0.00 S ATOM 0 H CYS A 45 5.867 -7.945 -6.184 1.00 0.00 H new ATOM 0 HA CYS A 45 8.740 -8.042 -5.759 1.00 0.00 H new ATOM 0 HB2 CYS A 45 7.017 -9.553 -7.784 1.00 0.00 H new ATOM 0 HB3 CYS A 45 8.457 -10.133 -6.971 1.00 0.00 H new ATOM 674 N SER A 46 7.785 -7.350 -8.844 1.00 0.00 N ATOM 675 CA SER A 46 8.292 -6.670 -10.069 1.00 0.00 C ATOM 676 C SER A 46 8.894 -5.327 -9.663 1.00 0.00 C ATOM 677 O SER A 46 9.784 -4.804 -10.303 1.00 0.00 O ATOM 678 CB SER A 46 7.064 -6.470 -10.959 1.00 0.00 C ATOM 679 OG SER A 46 6.448 -7.726 -11.204 1.00 0.00 O ATOM 0 H SER A 46 6.851 -7.753 -8.921 1.00 0.00 H new ATOM 0 HA SER A 46 9.062 -7.240 -10.590 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.358 -5.794 -10.476 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.356 -6.006 -11.901 1.00 0.00 H new ATOM 0 HG SER A 46 5.637 -7.804 -10.659 1.00 0.00 H new ATOM 685 N MET A 47 8.419 -4.780 -8.578 1.00 0.00 N ATOM 686 CA MET A 47 8.960 -3.487 -8.082 1.00 0.00 C ATOM 687 C MET A 47 10.198 -3.769 -7.238 1.00 0.00 C ATOM 688 O MET A 47 11.152 -3.017 -7.224 1.00 0.00 O ATOM 689 CB MET A 47 7.848 -2.914 -7.209 1.00 0.00 C ATOM 690 CG MET A 47 8.028 -1.403 -7.077 1.00 0.00 C ATOM 691 SD MET A 47 7.060 -0.799 -5.672 1.00 0.00 S ATOM 692 CE MET A 47 8.289 0.364 -5.031 1.00 0.00 C ATOM 0 H MET A 47 7.672 -5.179 -8.010 1.00 0.00 H new ATOM 0 HA MET A 47 9.243 -2.802 -8.881 1.00 0.00 H new ATOM 0 HB2 MET A 47 6.876 -3.138 -7.648 1.00 0.00 H new ATOM 0 HB3 MET A 47 7.868 -3.380 -6.224 1.00 0.00 H new ATOM 0 HG2 MET A 47 9.082 -1.163 -6.936 1.00 0.00 H new ATOM 0 HG3 MET A 47 7.708 -0.907 -7.993 1.00 0.00 H new ATOM 0 HE1 MET A 47 8.517 0.118 -3.994 1.00 0.00 H new ATOM 0 HE2 MET A 47 9.199 0.298 -5.628 1.00 0.00 H new ATOM 0 HE3 MET A 47 7.893 1.378 -5.084 1.00 0.00 H new ATOM 702 N CYS A 48 10.173 -4.862 -6.532 1.00 0.00 N ATOM 703 CA CYS A 48 11.329 -5.237 -5.671 1.00 0.00 C ATOM 704 C CYS A 48 12.392 -5.967 -6.498 1.00 0.00 C ATOM 705 O CYS A 48 13.533 -6.081 -6.096 1.00 0.00 O ATOM 706 CB CYS A 48 10.734 -6.165 -4.611 1.00 0.00 C ATOM 707 SG CYS A 48 10.342 -5.208 -3.125 1.00 0.00 S ATOM 0 H CYS A 48 9.393 -5.519 -6.514 1.00 0.00 H new ATOM 0 HA CYS A 48 11.820 -4.370 -5.228 1.00 0.00 H new ATOM 0 HB2 CYS A 48 9.834 -6.645 -4.996 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.440 -6.959 -4.370 1.00 0.00 H new ATOM 712 N GLU A 49 12.030 -6.459 -7.653 1.00 0.00 N ATOM 713 CA GLU A 49 13.028 -7.174 -8.501 1.00 0.00 C ATOM 714 C GLU A 49 13.997 -6.164 -9.124 1.00 0.00 C ATOM 715 O GLU A 49 15.199 -6.346 -9.098 1.00 0.00 O ATOM 716 CB GLU A 49 12.199 -7.900 -9.574 1.00 0.00 C ATOM 717 CG GLU A 49 11.974 -6.991 -10.789 1.00 0.00 C ATOM 718 CD GLU A 49 11.279 -7.783 -11.897 1.00 0.00 C ATOM 719 OE1 GLU A 49 11.081 -8.972 -11.714 1.00 0.00 O ATOM 720 OE2 GLU A 49 10.957 -7.186 -12.912 1.00 0.00 O ATOM 0 H GLU A 49 11.090 -6.397 -8.045 1.00 0.00 H new ATOM 0 HA GLU A 49 13.636 -7.879 -7.934 1.00 0.00 H new ATOM 0 HB2 GLU A 49 12.713 -8.810 -9.884 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.239 -8.202 -9.156 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.366 -6.131 -10.506 1.00 0.00 H new ATOM 0 HG3 GLU A 49 12.927 -6.603 -11.148 1.00 0.00 H new ATOM 727 N VAL A 50 13.485 -5.094 -9.670 1.00 0.00 N ATOM 728 CA VAL A 50 14.384 -4.072 -10.276 1.00 0.00 C ATOM 729 C VAL A 50 15.358 -3.580 -9.210 1.00 0.00 C ATOM 730 O VAL A 50 16.536 -3.412 -9.456 1.00 0.00 O ATOM 731 CB VAL A 50 13.463 -2.941 -10.735 1.00 0.00 C ATOM 732 CG1 VAL A 50 12.275 -3.530 -11.495 1.00 0.00 C ATOM 733 CG2 VAL A 50 12.955 -2.169 -9.517 1.00 0.00 C ATOM 0 H VAL A 50 12.488 -4.885 -9.722 1.00 0.00 H new ATOM 0 HA VAL A 50 14.970 -4.461 -11.108 1.00 0.00 H new ATOM 0 HB VAL A 50 14.016 -2.266 -11.388 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.617 -2.725 -11.823 1.00 0.00 H new ATOM 0 HG12 VAL A 50 12.636 -4.080 -12.364 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.723 -4.205 -10.841 1.00 0.00 H new ATOM 0 HG21 VAL A 50 12.299 -1.363 -9.845 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.402 -2.844 -8.863 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.801 -1.749 -8.973 1.00 0.00 H new ATOM 743 N PHE A 51 14.873 -3.369 -8.018 1.00 0.00 N ATOM 744 CA PHE A 51 15.772 -2.912 -6.924 1.00 0.00 C ATOM 745 C PHE A 51 16.782 -4.017 -6.625 1.00 0.00 C ATOM 746 O PHE A 51 17.937 -3.766 -6.344 1.00 0.00 O ATOM 747 CB PHE A 51 14.857 -2.673 -5.723 1.00 0.00 C ATOM 748 CG PHE A 51 15.693 -2.559 -4.471 1.00 0.00 C ATOM 749 CD1 PHE A 51 16.588 -1.493 -4.322 1.00 0.00 C ATOM 750 CD2 PHE A 51 15.573 -3.518 -3.460 1.00 0.00 C ATOM 751 CE1 PHE A 51 17.364 -1.387 -3.161 1.00 0.00 C ATOM 752 CE2 PHE A 51 16.348 -3.413 -2.298 1.00 0.00 C ATOM 753 CZ PHE A 51 17.243 -2.346 -2.150 1.00 0.00 C ATOM 0 H PHE A 51 13.895 -3.493 -7.755 1.00 0.00 H new ATOM 0 HA PHE A 51 16.330 -2.011 -7.178 1.00 0.00 H new ATOM 0 HB2 PHE A 51 14.276 -1.762 -5.870 1.00 0.00 H new ATOM 0 HB3 PHE A 51 14.145 -3.493 -5.625 1.00 0.00 H new ATOM 0 HD1 PHE A 51 16.680 -0.752 -5.102 1.00 0.00 H new ATOM 0 HD2 PHE A 51 14.882 -4.340 -3.575 1.00 0.00 H new ATOM 0 HE1 PHE A 51 18.055 -0.565 -3.046 1.00 0.00 H new ATOM 0 HE2 PHE A 51 16.256 -4.154 -1.517 1.00 0.00 H new ATOM 0 HZ PHE A 51 17.841 -2.264 -1.254 1.00 0.00 H new ATOM 763 N PHE A 52 16.348 -5.245 -6.705 1.00 0.00 N ATOM 764 CA PHE A 52 17.268 -6.386 -6.451 1.00 0.00 C ATOM 765 C PHE A 52 18.311 -6.449 -7.566 1.00 0.00 C ATOM 766 O PHE A 52 19.459 -6.781 -7.344 1.00 0.00 O ATOM 767 CB PHE A 52 16.369 -7.623 -6.480 1.00 0.00 C ATOM 768 CG PHE A 52 15.906 -7.943 -5.079 1.00 0.00 C ATOM 769 CD1 PHE A 52 16.808 -7.885 -4.011 1.00 0.00 C ATOM 770 CD2 PHE A 52 14.571 -8.299 -4.850 1.00 0.00 C ATOM 771 CE1 PHE A 52 16.376 -8.181 -2.713 1.00 0.00 C ATOM 772 CE2 PHE A 52 14.139 -8.595 -3.552 1.00 0.00 C ATOM 773 CZ PHE A 52 15.041 -8.535 -2.484 1.00 0.00 C ATOM 0 H PHE A 52 15.390 -5.507 -6.937 1.00 0.00 H new ATOM 0 HA PHE A 52 17.806 -6.301 -5.507 1.00 0.00 H new ATOM 0 HB2 PHE A 52 15.510 -7.446 -7.127 1.00 0.00 H new ATOM 0 HB3 PHE A 52 16.912 -8.471 -6.897 1.00 0.00 H new ATOM 0 HD1 PHE A 52 17.838 -7.612 -4.188 1.00 0.00 H new ATOM 0 HD2 PHE A 52 13.875 -8.345 -5.675 1.00 0.00 H new ATOM 0 HE1 PHE A 52 17.072 -8.136 -1.889 1.00 0.00 H new ATOM 0 HE2 PHE A 52 13.110 -8.870 -3.375 1.00 0.00 H new ATOM 0 HZ PHE A 52 14.707 -8.762 -1.482 1.00 0.00 H new ATOM 783 N GLN A 53 17.917 -6.118 -8.764 1.00 0.00 N ATOM 784 CA GLN A 53 18.875 -6.140 -9.902 1.00 0.00 C ATOM 785 C GLN A 53 19.914 -5.032 -9.722 1.00 0.00 C ATOM 786 O GLN A 53 21.092 -5.223 -9.947 1.00 0.00 O ATOM 787 CB GLN A 53 18.016 -5.875 -11.136 1.00 0.00 C ATOM 788 CG GLN A 53 18.693 -6.471 -12.372 1.00 0.00 C ATOM 789 CD GLN A 53 18.096 -5.844 -13.635 1.00 0.00 C ATOM 790 OE1 GLN A 53 18.700 -5.881 -14.688 1.00 0.00 O ATOM 791 NE2 GLN A 53 16.926 -5.265 -13.573 1.00 0.00 N ATOM 0 H GLN A 53 16.968 -5.832 -9.004 1.00 0.00 H new ATOM 0 HA GLN A 53 19.419 -7.081 -9.979 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.027 -6.314 -11.004 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.874 -4.803 -11.269 1.00 0.00 H new ATOM 0 HG2 GLN A 53 19.767 -6.288 -12.335 1.00 0.00 H new ATOM 0 HG3 GLN A 53 18.554 -7.552 -12.390 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.419 -5.234 -12.689 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.520 -4.844 -14.409 1.00 0.00 H new ATOM 800 N ALA A 54 19.478 -3.872 -9.310 1.00 0.00 N ATOM 801 CA ALA A 54 20.431 -2.744 -9.107 1.00 0.00 C ATOM 802 C ALA A 54 21.414 -3.082 -7.983 1.00 0.00 C ATOM 803 O ALA A 54 22.574 -2.724 -8.031 1.00 0.00 O ATOM 804 CB ALA A 54 19.555 -1.553 -8.715 1.00 0.00 C ATOM 0 H ALA A 54 18.502 -3.657 -9.105 1.00 0.00 H new ATOM 0 HA ALA A 54 21.025 -2.537 -9.997 1.00 0.00 H new ATOM 0 HB1 ALA A 54 20.184 -0.679 -8.547 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.847 -1.343 -9.517 1.00 0.00 H new ATOM 0 HB3 ALA A 54 19.009 -1.788 -7.801 1.00 0.00 H new ATOM 810 N GLU A 55 20.958 -3.770 -6.971 1.00 0.00 N ATOM 811 CA GLU A 55 21.869 -4.131 -5.846 1.00 0.00 C ATOM 812 C GLU A 55 23.112 -4.840 -6.387 1.00 0.00 C ATOM 813 O GLU A 55 24.190 -4.732 -5.837 1.00 0.00 O ATOM 814 CB GLU A 55 21.054 -5.073 -4.961 1.00 0.00 C ATOM 815 CG GLU A 55 20.072 -4.260 -4.116 1.00 0.00 C ATOM 816 CD GLU A 55 19.337 -5.191 -3.149 1.00 0.00 C ATOM 817 OE1 GLU A 55 19.471 -6.394 -3.300 1.00 0.00 O ATOM 818 OE2 GLU A 55 18.653 -4.685 -2.275 1.00 0.00 O ATOM 0 H GLU A 55 19.997 -4.097 -6.874 1.00 0.00 H new ATOM 0 HA GLU A 55 22.215 -3.257 -5.295 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.512 -5.790 -5.578 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.718 -5.647 -4.314 1.00 0.00 H new ATOM 0 HG2 GLU A 55 20.606 -3.489 -3.560 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.356 -3.750 -4.761 1.00 0.00 H new ATOM 825 N GLU A 56 22.967 -5.562 -7.462 1.00 0.00 N ATOM 826 CA GLU A 56 24.139 -6.277 -8.044 1.00 0.00 C ATOM 827 C GLU A 56 25.135 -5.270 -8.622 1.00 0.00 C ATOM 828 O GLU A 56 26.327 -5.502 -8.642 1.00 0.00 O ATOM 829 CB GLU A 56 23.558 -7.155 -9.153 1.00 0.00 C ATOM 830 CG GLU A 56 22.732 -8.283 -8.531 1.00 0.00 C ATOM 831 CD GLU A 56 22.316 -9.271 -9.623 1.00 0.00 C ATOM 832 OE1 GLU A 56 22.300 -8.876 -10.778 1.00 0.00 O ATOM 833 OE2 GLU A 56 22.019 -10.405 -9.286 1.00 0.00 O ATOM 0 H GLU A 56 22.088 -5.689 -7.964 1.00 0.00 H new ATOM 0 HA GLU A 56 24.676 -6.865 -7.300 1.00 0.00 H new ATOM 0 HB2 GLU A 56 22.934 -6.556 -9.816 1.00 0.00 H new ATOM 0 HB3 GLU A 56 24.362 -7.571 -9.761 1.00 0.00 H new ATOM 0 HG2 GLU A 56 23.314 -8.795 -7.765 1.00 0.00 H new ATOM 0 HG3 GLU A 56 21.849 -7.874 -8.040 1.00 0.00 H new