USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=8 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= -2.58! C(o=-1.8!,f=-16!) USER MOD Set 1.2: A 46 SER OG : rot 71:sc= 0.765 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 130:sc= -1.84! USER MOD Single : A 13 ASN : amide:sc= -2.28! K(o=-2.3!,f=-0.83) USER MOD Single : A 15 TYR OH : rot 120:sc= -3.37! USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.0653 X(o=-0.065,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= 0.0716 USER MOD Single : A 30 ASN : amide:sc= -2.18 K(o=-2.2,f=-0.85!) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 39 LYS NZ :NH3+ 152:sc= -0.43 (180deg=-2.71!) USER MOD Single : A 41 HIS : no HD1:sc= -2.57! K(o=-2.6!,f=-1.3) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 MET CE :methyl -146:sc= -0.762 (180deg=-2.97!) USER MOD Single : A 53 GLN : amide:sc= -0.784 K(o=-0.78,f=-0.02) USER MOD ----------------------------------------------------------------- ATOM 82 N SER A 7 12.619 1.815 3.734 1.00 0.00 N ATOM 83 CA SER A 7 13.846 1.542 2.930 1.00 0.00 C ATOM 84 C SER A 7 13.638 0.309 2.049 1.00 0.00 C ATOM 85 O SER A 7 13.362 -0.772 2.530 1.00 0.00 O ATOM 86 CB SER A 7 14.945 1.278 3.960 1.00 0.00 C ATOM 87 OG SER A 7 15.893 0.371 3.417 1.00 0.00 O ATOM 0 HA SER A 7 14.096 2.371 2.267 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.435 2.213 4.233 1.00 0.00 H new ATOM 0 HB3 SER A 7 14.513 0.866 4.872 1.00 0.00 H new ATOM 0 HG SER A 7 16.599 0.202 4.076 1.00 0.00 H new ATOM 93 N TYR A 8 13.768 0.462 0.760 1.00 0.00 N ATOM 94 CA TYR A 8 13.578 -0.703 -0.152 1.00 0.00 C ATOM 95 C TYR A 8 14.305 -1.931 0.399 1.00 0.00 C ATOM 96 O TYR A 8 13.711 -2.967 0.623 1.00 0.00 O ATOM 97 CB TYR A 8 14.191 -0.267 -1.482 1.00 0.00 C ATOM 98 CG TYR A 8 13.488 0.974 -1.973 1.00 0.00 C ATOM 99 CD1 TYR A 8 12.095 1.068 -1.879 1.00 0.00 C ATOM 100 CD2 TYR A 8 14.226 2.031 -2.519 1.00 0.00 C ATOM 101 CE1 TYR A 8 11.438 2.220 -2.329 1.00 0.00 C ATOM 102 CE2 TYR A 8 13.570 3.183 -2.971 1.00 0.00 C ATOM 103 CZ TYR A 8 12.177 3.277 -2.875 1.00 0.00 C ATOM 104 OH TYR A 8 11.529 4.412 -3.317 1.00 0.00 O ATOM 0 H TYR A 8 13.997 1.342 0.298 1.00 0.00 H new ATOM 0 HA TYR A 8 12.529 -0.979 -0.258 1.00 0.00 H new ATOM 0 HB2 TYR A 8 15.256 -0.070 -1.357 1.00 0.00 H new ATOM 0 HB3 TYR A 8 14.098 -1.066 -2.217 1.00 0.00 H new ATOM 0 HD1 TYR A 8 11.526 0.252 -1.459 1.00 0.00 H new ATOM 0 HD2 TYR A 8 15.301 1.958 -2.592 1.00 0.00 H new ATOM 0 HE1 TYR A 8 10.363 2.293 -2.255 1.00 0.00 H new ATOM 0 HE2 TYR A 8 14.139 3.998 -3.393 1.00 0.00 H new ATOM 0 HH TYR A 8 11.961 5.205 -2.935 1.00 0.00 H new ATOM 114 N ALA A 9 15.587 -1.825 0.617 1.00 0.00 N ATOM 115 CA ALA A 9 16.348 -2.990 1.151 1.00 0.00 C ATOM 116 C ALA A 9 15.573 -3.640 2.298 1.00 0.00 C ATOM 117 O ALA A 9 15.599 -4.842 2.478 1.00 0.00 O ATOM 118 CB ALA A 9 17.668 -2.405 1.651 1.00 0.00 C ATOM 0 H ALA A 9 16.140 -0.984 0.449 1.00 0.00 H new ATOM 0 HA ALA A 9 16.508 -3.763 0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.287 -3.203 2.061 1.00 0.00 H new ATOM 0 HB2 ALA A 9 18.192 -1.928 0.822 1.00 0.00 H new ATOM 0 HB3 ALA A 9 17.468 -1.666 2.427 1.00 0.00 H new ATOM 124 N GLU A 10 14.878 -2.854 3.070 1.00 0.00 N ATOM 125 CA GLU A 10 14.092 -3.423 4.202 1.00 0.00 C ATOM 126 C GLU A 10 12.677 -3.766 3.730 1.00 0.00 C ATOM 127 O GLU A 10 12.074 -4.720 4.180 1.00 0.00 O ATOM 128 CB GLU A 10 14.054 -2.314 5.255 1.00 0.00 C ATOM 129 CG GLU A 10 13.623 -2.905 6.599 1.00 0.00 C ATOM 130 CD GLU A 10 13.097 -1.787 7.501 1.00 0.00 C ATOM 131 OE1 GLU A 10 13.294 -0.633 7.159 1.00 0.00 O ATOM 132 OE2 GLU A 10 12.505 -2.105 8.520 1.00 0.00 O ATOM 0 H GLU A 10 14.819 -1.841 2.967 1.00 0.00 H new ATOM 0 HA GLU A 10 14.531 -4.340 4.596 1.00 0.00 H new ATOM 0 HB2 GLU A 10 15.036 -1.851 5.347 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.360 -1.531 4.950 1.00 0.00 H new ATOM 0 HG2 GLU A 10 12.850 -3.658 6.446 1.00 0.00 H new ATOM 0 HG3 GLU A 10 14.466 -3.406 7.076 1.00 0.00 H new ATOM 139 N LEU A 11 12.151 -2.999 2.815 1.00 0.00 N ATOM 140 CA LEU A 11 10.781 -3.281 2.300 1.00 0.00 C ATOM 141 C LEU A 11 10.813 -4.518 1.407 1.00 0.00 C ATOM 142 O LEU A 11 10.162 -5.508 1.672 1.00 0.00 O ATOM 143 CB LEU A 11 10.398 -2.042 1.490 1.00 0.00 C ATOM 144 CG LEU A 11 8.874 -1.933 1.415 1.00 0.00 C ATOM 145 CD1 LEU A 11 8.370 -1.036 2.546 1.00 0.00 C ATOM 146 CD2 LEU A 11 8.473 -1.331 0.067 1.00 0.00 C ATOM 0 H LEU A 11 12.611 -2.188 2.401 1.00 0.00 H new ATOM 0 HA LEU A 11 10.065 -3.477 3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.815 -1.148 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.819 -2.106 0.486 1.00 0.00 H new ATOM 0 HG LEU A 11 8.433 -2.925 1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.284 -0.958 2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.656 -1.466 3.506 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.810 -0.044 2.447 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.387 -1.253 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.914 -0.339 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.832 -1.971 -0.739 1.00 0.00 H new ATOM 158 N CYS A 12 11.581 -4.472 0.357 1.00 0.00 N ATOM 159 CA CYS A 12 11.673 -5.649 -0.551 1.00 0.00 C ATOM 160 C CYS A 12 12.325 -6.818 0.189 1.00 0.00 C ATOM 161 O CYS A 12 12.340 -7.937 -0.283 1.00 0.00 O ATOM 162 CB CYS A 12 12.547 -5.189 -1.716 1.00 0.00 C ATOM 163 SG CYS A 12 11.522 -4.306 -2.917 1.00 0.00 S ATOM 0 H CYS A 12 12.150 -3.670 0.087 1.00 0.00 H new ATOM 0 HA CYS A 12 10.697 -5.990 -0.896 1.00 0.00 H new ATOM 0 HB2 CYS A 12 13.344 -4.540 -1.354 1.00 0.00 H new ATOM 0 HB3 CYS A 12 13.025 -6.047 -2.189 1.00 0.00 H new ATOM 168 N ASN A 13 12.856 -6.564 1.354 1.00 0.00 N ATOM 169 CA ASN A 13 13.499 -7.650 2.143 1.00 0.00 C ATOM 170 C ASN A 13 12.652 -8.920 2.070 1.00 0.00 C ATOM 171 O ASN A 13 13.140 -9.993 1.782 1.00 0.00 O ATOM 172 CB ASN A 13 13.531 -7.115 3.572 1.00 0.00 C ATOM 173 CG ASN A 13 14.367 -8.046 4.452 1.00 0.00 C ATOM 174 OD1 ASN A 13 13.836 -8.742 5.295 1.00 0.00 O ATOM 175 ND2 ASN A 13 15.661 -8.088 4.291 1.00 0.00 N ATOM 0 H ASN A 13 12.871 -5.644 1.795 1.00 0.00 H new ATOM 0 HA ASN A 13 14.492 -7.906 1.774 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.953 -6.110 3.585 1.00 0.00 H new ATOM 0 HB3 ASN A 13 12.517 -7.040 3.965 1.00 0.00 H new ATOM 0 HD21 ASN A 13 16.228 -8.705 4.873 1.00 0.00 H new ATOM 0 HD22 ASN A 13 16.106 -7.504 3.583 1.00 0.00 H new ATOM 182 N GLU A 14 11.383 -8.798 2.332 1.00 0.00 N ATOM 183 CA GLU A 14 10.491 -9.994 2.282 1.00 0.00 C ATOM 184 C GLU A 14 10.696 -10.758 0.969 1.00 0.00 C ATOM 185 O GLU A 14 10.410 -11.936 0.878 1.00 0.00 O ATOM 186 CB GLU A 14 9.072 -9.431 2.361 1.00 0.00 C ATOM 187 CG GLU A 14 8.065 -10.583 2.387 1.00 0.00 C ATOM 188 CD GLU A 14 6.650 -10.019 2.535 1.00 0.00 C ATOM 189 OE1 GLU A 14 6.507 -8.809 2.483 1.00 0.00 O ATOM 190 OE2 GLU A 14 5.734 -10.808 2.699 1.00 0.00 O ATOM 0 H GLU A 14 10.922 -7.923 2.579 1.00 0.00 H new ATOM 0 HA GLU A 14 10.697 -10.696 3.090 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.962 -8.818 3.256 1.00 0.00 H new ATOM 0 HB3 GLU A 14 8.878 -8.784 1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.141 -11.168 1.470 1.00 0.00 H new ATOM 0 HG3 GLU A 14 8.288 -11.257 3.214 1.00 0.00 H new ATOM 197 N TYR A 15 11.193 -10.104 -0.047 1.00 0.00 N ATOM 198 CA TYR A 15 11.416 -10.805 -1.343 1.00 0.00 C ATOM 199 C TYR A 15 12.881 -11.233 -1.461 1.00 0.00 C ATOM 200 O TYR A 15 13.319 -11.713 -2.488 1.00 0.00 O ATOM 201 CB TYR A 15 11.064 -9.779 -2.421 1.00 0.00 C ATOM 202 CG TYR A 15 9.599 -9.433 -2.324 1.00 0.00 C ATOM 203 CD1 TYR A 15 8.631 -10.323 -2.803 1.00 0.00 C ATOM 204 CD2 TYR A 15 9.211 -8.221 -1.748 1.00 0.00 C ATOM 205 CE1 TYR A 15 7.274 -9.998 -2.703 1.00 0.00 C ATOM 206 CE2 TYR A 15 7.855 -7.894 -1.649 1.00 0.00 C ATOM 207 CZ TYR A 15 6.885 -8.784 -2.125 1.00 0.00 C ATOM 208 OH TYR A 15 5.546 -8.463 -2.027 1.00 0.00 O ATOM 0 H TYR A 15 11.453 -9.118 -0.035 1.00 0.00 H new ATOM 0 HA TYR A 15 10.812 -11.707 -1.435 1.00 0.00 H new ATOM 0 HB2 TYR A 15 11.670 -8.882 -2.296 1.00 0.00 H new ATOM 0 HB3 TYR A 15 11.289 -10.181 -3.409 1.00 0.00 H new ATOM 0 HD1 TYR A 15 8.931 -11.260 -3.249 1.00 0.00 H new ATOM 0 HD2 TYR A 15 9.959 -7.536 -1.379 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.526 -10.684 -3.072 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.556 -6.956 -1.206 1.00 0.00 H new ATOM 0 HH TYR A 15 5.307 -8.339 -1.085 1.00 0.00 H new ATOM 218 N ARG A 16 13.640 -11.075 -0.411 1.00 0.00 N ATOM 219 CA ARG A 16 15.071 -11.485 -0.455 1.00 0.00 C ATOM 220 C ARG A 16 15.175 -13.002 -0.309 1.00 0.00 C ATOM 221 O ARG A 16 16.067 -13.630 -0.844 1.00 0.00 O ATOM 222 CB ARG A 16 15.727 -10.778 0.730 1.00 0.00 C ATOM 223 CG ARG A 16 16.003 -9.322 0.356 1.00 0.00 C ATOM 224 CD ARG A 16 16.881 -8.672 1.424 1.00 0.00 C ATOM 225 NE ARG A 16 16.693 -7.207 1.226 1.00 0.00 N ATOM 226 CZ ARG A 16 17.686 -6.387 1.441 1.00 0.00 C ATOM 227 NH1 ARG A 16 17.832 -5.831 2.612 1.00 0.00 N ATOM 228 NH2 ARG A 16 18.533 -6.123 0.484 1.00 0.00 N ATOM 0 H ARG A 16 13.330 -10.679 0.476 1.00 0.00 H new ATOM 0 HA ARG A 16 15.555 -11.219 -1.395 1.00 0.00 H new ATOM 0 HB2 ARG A 16 15.076 -10.825 1.603 1.00 0.00 H new ATOM 0 HB3 ARG A 16 16.657 -11.279 0.999 1.00 0.00 H new ATOM 0 HG2 ARG A 16 16.498 -9.273 -0.614 1.00 0.00 H new ATOM 0 HG3 ARG A 16 15.064 -8.776 0.262 1.00 0.00 H new ATOM 0 HD2 ARG A 16 16.579 -8.978 2.426 1.00 0.00 H new ATOM 0 HD3 ARG A 16 17.926 -8.957 1.305 1.00 0.00 H new ATOM 0 HE ARG A 16 15.789 -6.845 0.923 1.00 0.00 H new ATOM 0 HH11 ARG A 16 17.170 -6.037 3.360 1.00 0.00 H new ATOM 0 HH12 ARG A 16 18.608 -5.191 2.779 1.00 0.00 H new ATOM 0 HH21 ARG A 16 18.419 -6.557 -0.432 1.00 0.00 H new ATOM 0 HH22 ARG A 16 19.309 -5.482 0.652 1.00 0.00 H new ATOM 242 N LYS A 17 14.253 -13.595 0.398 1.00 0.00 N ATOM 243 CA LYS A 17 14.279 -15.075 0.562 1.00 0.00 C ATOM 244 C LYS A 17 13.876 -15.731 -0.761 1.00 0.00 C ATOM 245 O LYS A 17 13.923 -16.934 -0.916 1.00 0.00 O ATOM 246 CB LYS A 17 13.244 -15.381 1.648 1.00 0.00 C ATOM 247 CG LYS A 17 13.348 -14.348 2.775 1.00 0.00 C ATOM 248 CD LYS A 17 12.688 -14.905 4.037 1.00 0.00 C ATOM 249 CE LYS A 17 11.184 -14.626 3.991 1.00 0.00 C ATOM 250 NZ LYS A 17 10.682 -15.019 5.337 1.00 0.00 N ATOM 0 H LYS A 17 13.483 -13.119 0.869 1.00 0.00 H new ATOM 0 HA LYS A 17 15.265 -15.451 0.835 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.241 -15.366 1.221 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.407 -16.383 2.045 1.00 0.00 H new ATOM 0 HG2 LYS A 17 14.394 -14.112 2.972 1.00 0.00 H new ATOM 0 HG3 LYS A 17 12.863 -13.419 2.477 1.00 0.00 H new ATOM 0 HD2 LYS A 17 12.868 -15.978 4.111 1.00 0.00 H new ATOM 0 HD3 LYS A 17 13.127 -14.446 4.923 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.983 -13.575 3.785 1.00 0.00 H new ATOM 0 HE3 LYS A 17 10.699 -15.203 3.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.656 -14.857 5.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.882 -16.026 5.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.157 -14.448 6.065 1.00 0.00 H new ATOM 264 N LEU A 18 13.476 -14.933 -1.717 1.00 0.00 N ATOM 265 CA LEU A 18 13.063 -15.479 -3.035 1.00 0.00 C ATOM 266 C LEU A 18 14.191 -15.276 -4.048 1.00 0.00 C ATOM 267 O LEU A 18 14.446 -16.114 -4.890 1.00 0.00 O ATOM 268 CB LEU A 18 11.831 -14.658 -3.432 1.00 0.00 C ATOM 269 CG LEU A 18 10.721 -14.836 -2.387 1.00 0.00 C ATOM 270 CD1 LEU A 18 11.074 -14.071 -1.110 1.00 0.00 C ATOM 271 CD2 LEU A 18 9.408 -14.286 -2.949 1.00 0.00 C ATOM 0 H LEU A 18 13.419 -13.918 -1.636 1.00 0.00 H new ATOM 0 HA LEU A 18 12.845 -16.546 -3.000 1.00 0.00 H new ATOM 0 HB2 LEU A 18 12.098 -13.604 -3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.473 -14.975 -4.412 1.00 0.00 H new ATOM 0 HG LEU A 18 10.617 -15.896 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 18 10.280 -14.204 -0.375 1.00 0.00 H new ATOM 0 HD12 LEU A 18 12.011 -14.452 -0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.183 -13.011 -1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.616 -14.410 -2.211 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.526 -13.227 -3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 18 9.145 -14.828 -3.857 1.00 0.00 H new ATOM 283 N VAL A 19 14.872 -14.164 -3.966 1.00 0.00 N ATOM 284 CA VAL A 19 15.991 -13.898 -4.916 1.00 0.00 C ATOM 285 C VAL A 19 17.027 -15.024 -4.825 1.00 0.00 C ATOM 286 O VAL A 19 17.311 -15.530 -3.757 1.00 0.00 O ATOM 287 CB VAL A 19 16.594 -12.570 -4.449 1.00 0.00 C ATOM 288 CG1 VAL A 19 17.756 -12.186 -5.366 1.00 0.00 C ATOM 289 CG2 VAL A 19 15.526 -11.476 -4.495 1.00 0.00 C ATOM 0 H VAL A 19 14.701 -13.428 -3.281 1.00 0.00 H new ATOM 0 HA VAL A 19 15.660 -13.851 -5.953 1.00 0.00 H new ATOM 0 HB VAL A 19 16.957 -12.678 -3.427 1.00 0.00 H new ATOM 0 HG11 VAL A 19 18.185 -11.241 -5.033 1.00 0.00 H new ATOM 0 HG12 VAL A 19 18.519 -12.963 -5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 19 17.393 -12.080 -6.388 1.00 0.00 H new ATOM 0 HG21 VAL A 19 15.958 -10.532 -4.162 1.00 0.00 H new ATOM 0 HG22 VAL A 19 15.160 -11.368 -5.516 1.00 0.00 H new ATOM 0 HG23 VAL A 19 14.698 -11.748 -3.840 1.00 0.00 H new ATOM 299 N ARG A 20 17.592 -15.421 -5.932 1.00 0.00 N ATOM 300 CA ARG A 20 18.605 -16.517 -5.894 1.00 0.00 C ATOM 301 C ARG A 20 19.998 -15.962 -6.217 1.00 0.00 C ATOM 302 O ARG A 20 20.667 -15.414 -5.363 1.00 0.00 O ATOM 303 CB ARG A 20 18.152 -17.511 -6.963 1.00 0.00 C ATOM 304 CG ARG A 20 16.848 -18.177 -6.519 1.00 0.00 C ATOM 305 CD ARG A 20 16.982 -19.695 -6.643 1.00 0.00 C ATOM 306 NE ARG A 20 15.616 -20.224 -6.373 1.00 0.00 N ATOM 307 CZ ARG A 20 15.438 -21.128 -5.449 1.00 0.00 C ATOM 308 NH1 ARG A 20 16.314 -22.082 -5.289 1.00 0.00 N ATOM 309 NH2 ARG A 20 14.383 -21.077 -4.682 1.00 0.00 N ATOM 0 H ARG A 20 17.399 -15.037 -6.857 1.00 0.00 H new ATOM 0 HA ARG A 20 18.675 -16.985 -4.912 1.00 0.00 H new ATOM 0 HB2 ARG A 20 18.006 -16.998 -7.913 1.00 0.00 H new ATOM 0 HB3 ARG A 20 18.922 -18.265 -7.123 1.00 0.00 H new ATOM 0 HG2 ARG A 20 16.621 -17.904 -5.488 1.00 0.00 H new ATOM 0 HG3 ARG A 20 16.019 -17.823 -7.132 1.00 0.00 H new ATOM 0 HD2 ARG A 20 17.327 -19.981 -7.636 1.00 0.00 H new ATOM 0 HD3 ARG A 20 17.706 -20.087 -5.929 1.00 0.00 H new ATOM 0 HE ARG A 20 14.820 -19.880 -6.910 1.00 0.00 H new ATOM 0 HH11 ARG A 20 17.140 -22.122 -5.887 1.00 0.00 H new ATOM 0 HH12 ARG A 20 16.173 -22.788 -4.566 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.698 -20.331 -4.805 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.243 -21.783 -3.960 1.00 0.00 H new ATOM 323 N ASN A 21 20.444 -16.097 -7.438 1.00 0.00 N ATOM 324 CA ASN A 21 21.790 -15.571 -7.801 1.00 0.00 C ATOM 325 C ASN A 21 21.643 -14.293 -8.630 1.00 0.00 C ATOM 326 O ASN A 21 22.215 -14.161 -9.693 1.00 0.00 O ATOM 327 CB ASN A 21 22.438 -16.680 -8.630 1.00 0.00 C ATOM 328 CG ASN A 21 22.486 -17.967 -7.810 1.00 0.00 C ATOM 329 OD1 ASN A 21 23.411 -18.187 -7.053 1.00 0.00 O ATOM 330 ND2 ASN A 21 21.518 -18.833 -7.928 1.00 0.00 N ATOM 0 H ASN A 21 19.934 -16.548 -8.198 1.00 0.00 H new ATOM 0 HA ASN A 21 22.389 -15.318 -6.926 1.00 0.00 H new ATOM 0 HB2 ASN A 21 21.871 -16.841 -9.547 1.00 0.00 H new ATOM 0 HB3 ASN A 21 23.445 -16.387 -8.925 1.00 0.00 H new ATOM 0 HD21 ASN A 21 21.537 -19.696 -7.385 1.00 0.00 H new ATOM 0 HD22 ASN A 21 20.742 -18.647 -8.564 1.00 0.00 H new ATOM 337 N GLY A 22 20.874 -13.356 -8.151 1.00 0.00 N ATOM 338 CA GLY A 22 20.680 -12.089 -8.909 1.00 0.00 C ATOM 339 C GLY A 22 19.322 -12.125 -9.612 1.00 0.00 C ATOM 340 O GLY A 22 19.013 -11.284 -10.432 1.00 0.00 O ATOM 0 H GLY A 22 20.371 -13.413 -7.266 1.00 0.00 H new ATOM 0 HA2 GLY A 22 20.730 -11.236 -8.233 1.00 0.00 H new ATOM 0 HA3 GLY A 22 21.478 -11.963 -9.641 1.00 0.00 H new ATOM 344 N LYS A 23 18.506 -13.096 -9.297 1.00 0.00 N ATOM 345 CA LYS A 23 17.167 -13.189 -9.948 1.00 0.00 C ATOM 346 C LYS A 23 16.068 -13.290 -8.886 1.00 0.00 C ATOM 347 O LYS A 23 16.081 -14.172 -8.048 1.00 0.00 O ATOM 348 CB LYS A 23 17.224 -14.466 -10.785 1.00 0.00 C ATOM 349 CG LYS A 23 17.362 -15.676 -9.859 1.00 0.00 C ATOM 350 CD LYS A 23 17.690 -16.920 -10.687 1.00 0.00 C ATOM 351 CE LYS A 23 16.949 -18.127 -10.110 1.00 0.00 C ATOM 352 NZ LYS A 23 17.599 -19.314 -10.735 1.00 0.00 N ATOM 0 H LYS A 23 18.709 -13.829 -8.617 1.00 0.00 H new ATOM 0 HA LYS A 23 16.940 -12.313 -10.555 1.00 0.00 H new ATOM 0 HB2 LYS A 23 16.322 -14.558 -11.389 1.00 0.00 H new ATOM 0 HB3 LYS A 23 18.067 -14.424 -11.475 1.00 0.00 H new ATOM 0 HG2 LYS A 23 18.148 -15.497 -9.125 1.00 0.00 H new ATOM 0 HG3 LYS A 23 16.437 -15.830 -9.304 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.400 -16.765 -11.726 1.00 0.00 H new ATOM 0 HD3 LYS A 23 18.765 -17.102 -10.679 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.032 -18.158 -9.024 1.00 0.00 H new ATOM 0 HE3 LYS A 23 15.886 -18.088 -10.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.144 -20.182 -10.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.499 -19.261 -11.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.609 -19.329 -10.485 1.00 0.00 H new ATOM 366 N LEU A 24 15.117 -12.398 -8.914 1.00 0.00 N ATOM 367 CA LEU A 24 14.017 -12.444 -7.907 1.00 0.00 C ATOM 368 C LEU A 24 12.849 -13.282 -8.437 1.00 0.00 C ATOM 369 O LEU A 24 12.388 -13.088 -9.544 1.00 0.00 O ATOM 370 CB LEU A 24 13.582 -10.986 -7.727 1.00 0.00 C ATOM 371 CG LEU A 24 12.904 -10.785 -6.358 1.00 0.00 C ATOM 372 CD1 LEU A 24 11.897 -9.638 -6.453 1.00 0.00 C ATOM 373 CD2 LEU A 24 12.161 -12.052 -5.931 1.00 0.00 C ATOM 0 H LEU A 24 15.053 -11.638 -9.591 1.00 0.00 H new ATOM 0 HA LEU A 24 14.338 -12.896 -6.969 1.00 0.00 H new ATOM 0 HB2 LEU A 24 14.449 -10.330 -7.809 1.00 0.00 H new ATOM 0 HB3 LEU A 24 12.893 -10.706 -8.524 1.00 0.00 H new ATOM 0 HG LEU A 24 13.675 -10.556 -5.623 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.416 -9.495 -5.485 1.00 0.00 H new ATOM 0 HD12 LEU A 24 12.414 -8.723 -6.741 1.00 0.00 H new ATOM 0 HD13 LEU A 24 11.142 -9.878 -7.201 1.00 0.00 H new ATOM 0 HD21 LEU A 24 11.690 -11.888 -4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.397 -12.292 -6.670 1.00 0.00 H new ATOM 0 HD23 LEU A 24 12.866 -12.880 -5.856 1.00 0.00 H new ATOM 385 N ALA A 25 12.366 -14.208 -7.655 1.00 0.00 N ATOM 386 CA ALA A 25 11.225 -15.050 -8.116 1.00 0.00 C ATOM 387 C ALA A 25 9.964 -14.710 -7.318 1.00 0.00 C ATOM 388 O ALA A 25 9.959 -14.739 -6.103 1.00 0.00 O ATOM 389 CB ALA A 25 11.662 -16.490 -7.843 1.00 0.00 C ATOM 0 H ALA A 25 12.711 -14.418 -6.718 1.00 0.00 H new ATOM 0 HA ALA A 25 10.988 -14.889 -9.168 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.874 -17.175 -8.156 1.00 0.00 H new ATOM 0 HB2 ALA A 25 12.573 -16.706 -8.401 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.851 -16.617 -6.777 1.00 0.00 H new ATOM 395 N CYS A 26 8.893 -14.387 -7.991 1.00 0.00 N ATOM 396 CA CYS A 26 7.632 -14.044 -7.271 1.00 0.00 C ATOM 397 C CYS A 26 6.425 -14.272 -8.183 1.00 0.00 C ATOM 398 O CYS A 26 6.565 -14.485 -9.371 1.00 0.00 O ATOM 399 CB CYS A 26 7.765 -12.562 -6.918 1.00 0.00 C ATOM 400 SG CYS A 26 6.903 -12.233 -5.360 1.00 0.00 S ATOM 0 H CYS A 26 8.836 -14.346 -9.009 1.00 0.00 H new ATOM 0 HA CYS A 26 7.482 -14.661 -6.385 1.00 0.00 H new ATOM 0 HB2 CYS A 26 8.817 -12.292 -6.828 1.00 0.00 H new ATOM 0 HB3 CYS A 26 7.345 -11.948 -7.715 1.00 0.00 H new ATOM 405 N THR A 27 5.241 -14.230 -7.638 1.00 0.00 N ATOM 406 CA THR A 27 4.028 -14.447 -8.477 1.00 0.00 C ATOM 407 C THR A 27 3.491 -13.108 -8.989 1.00 0.00 C ATOM 408 O THR A 27 3.879 -12.054 -8.525 1.00 0.00 O ATOM 409 CB THR A 27 3.014 -15.110 -7.542 1.00 0.00 C ATOM 410 OG1 THR A 27 3.092 -14.508 -6.258 1.00 0.00 O ATOM 411 CG2 THR A 27 3.325 -16.602 -7.429 1.00 0.00 C ATOM 0 H THR A 27 5.060 -14.055 -6.649 1.00 0.00 H new ATOM 0 HA THR A 27 4.237 -15.060 -9.354 1.00 0.00 H new ATOM 0 HB THR A 27 2.009 -14.980 -7.943 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.442 -14.930 -5.659 1.00 0.00 H new ATOM 0 HG21 THR A 27 2.603 -17.075 -6.763 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.264 -17.062 -8.415 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.330 -16.735 -7.028 1.00 0.00 H new ATOM 419 N ARG A 28 2.601 -13.142 -9.942 1.00 0.00 N ATOM 420 CA ARG A 28 2.039 -11.871 -10.484 1.00 0.00 C ATOM 421 C ARG A 28 1.361 -11.071 -9.369 1.00 0.00 C ATOM 422 O ARG A 28 1.463 -9.863 -9.309 1.00 0.00 O ATOM 423 CB ARG A 28 1.015 -12.306 -11.532 1.00 0.00 C ATOM 424 CG ARG A 28 1.737 -12.967 -12.708 1.00 0.00 C ATOM 425 CD ARG A 28 0.744 -13.217 -13.844 1.00 0.00 C ATOM 426 NE ARG A 28 1.424 -14.197 -14.736 1.00 0.00 N ATOM 427 CZ ARG A 28 1.920 -13.805 -15.879 1.00 0.00 C ATOM 428 NH1 ARG A 28 1.428 -14.265 -16.996 1.00 0.00 N ATOM 429 NH2 ARG A 28 2.909 -12.952 -15.902 1.00 0.00 N ATOM 0 H ARG A 28 2.238 -13.994 -10.369 1.00 0.00 H new ATOM 0 HA ARG A 28 2.810 -11.228 -10.909 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.302 -13.003 -11.092 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.446 -11.444 -11.879 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.549 -12.328 -13.055 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.186 -13.908 -12.390 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.198 -13.614 -13.466 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.511 -12.294 -14.375 1.00 0.00 H new ATOM 0 HE ARG A 28 1.502 -15.174 -14.454 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.656 -14.931 -16.977 1.00 0.00 H new ATOM 0 HH12 ARG A 28 1.816 -13.959 -17.888 1.00 0.00 H new ATOM 0 HH21 ARG A 28 3.293 -12.593 -15.028 1.00 0.00 H new ATOM 0 HH22 ARG A 28 3.297 -12.645 -16.794 1.00 0.00 H new ATOM 443 N GLU A 29 0.672 -11.737 -8.482 1.00 0.00 N ATOM 444 CA GLU A 29 -0.010 -11.014 -7.370 1.00 0.00 C ATOM 445 C GLU A 29 -1.007 -9.996 -7.932 1.00 0.00 C ATOM 446 O GLU A 29 -0.812 -9.445 -8.997 1.00 0.00 O ATOM 447 CB GLU A 29 1.113 -10.304 -6.615 1.00 0.00 C ATOM 448 CG GLU A 29 0.589 -9.821 -5.260 1.00 0.00 C ATOM 449 CD GLU A 29 1.635 -8.920 -4.600 1.00 0.00 C ATOM 450 OE1 GLU A 29 2.773 -8.949 -5.038 1.00 0.00 O ATOM 451 OE2 GLU A 29 1.279 -8.216 -3.669 1.00 0.00 O ATOM 0 H GLU A 29 0.552 -12.750 -8.479 1.00 0.00 H new ATOM 0 HA GLU A 29 -0.575 -11.687 -6.725 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.955 -10.982 -6.471 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.480 -9.459 -7.197 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.345 -9.275 -5.393 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.371 -10.674 -4.617 1.00 0.00 H new ATOM 458 N ASN A 30 -2.073 -9.743 -7.224 1.00 0.00 N ATOM 459 CA ASN A 30 -3.081 -8.761 -7.717 1.00 0.00 C ATOM 460 C ASN A 30 -2.990 -7.462 -6.910 1.00 0.00 C ATOM 461 O ASN A 30 -3.962 -7.003 -6.344 1.00 0.00 O ATOM 462 CB ASN A 30 -4.435 -9.436 -7.493 1.00 0.00 C ATOM 463 CG ASN A 30 -4.572 -9.827 -6.022 1.00 0.00 C ATOM 464 OD1 ASN A 30 -4.593 -8.978 -5.154 1.00 0.00 O ATOM 465 ND2 ASN A 30 -4.668 -11.089 -5.702 1.00 0.00 N ATOM 0 H ASN A 30 -2.290 -10.174 -6.325 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.925 -8.498 -8.763 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -5.242 -8.760 -7.777 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -4.522 -10.320 -8.125 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.761 -11.361 -4.723 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.650 -11.803 -6.431 1.00 0.00 H new ATOM 472 N ASP A 31 -1.830 -6.867 -6.856 1.00 0.00 N ATOM 473 CA ASP A 31 -1.678 -5.599 -6.086 1.00 0.00 C ATOM 474 C ASP A 31 -0.647 -4.688 -6.764 1.00 0.00 C ATOM 475 O ASP A 31 0.497 -4.642 -6.358 1.00 0.00 O ATOM 476 CB ASP A 31 -1.187 -6.030 -4.704 1.00 0.00 C ATOM 477 CG ASP A 31 -1.984 -5.293 -3.627 1.00 0.00 C ATOM 478 OD1 ASP A 31 -3.014 -4.730 -3.961 1.00 0.00 O ATOM 479 OD2 ASP A 31 -1.551 -5.303 -2.486 1.00 0.00 O ATOM 0 H ASP A 31 -0.981 -7.203 -7.311 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.610 -5.036 -6.029 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.304 -7.107 -4.585 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.124 -5.811 -4.599 1.00 0.00 H new ATOM 484 N PRO A 32 -1.087 -3.986 -7.780 1.00 0.00 N ATOM 485 CA PRO A 32 -0.190 -3.069 -8.519 1.00 0.00 C ATOM 486 C PRO A 32 0.328 -1.965 -7.594 1.00 0.00 C ATOM 487 O PRO A 32 -0.398 -1.428 -6.781 1.00 0.00 O ATOM 488 CB PRO A 32 -1.110 -2.492 -9.599 1.00 0.00 C ATOM 489 CG PRO A 32 -2.513 -3.108 -9.434 1.00 0.00 C ATOM 490 CD PRO A 32 -2.493 -4.073 -8.241 1.00 0.00 C ATOM 0 HA PRO A 32 0.696 -3.557 -8.925 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.161 -1.407 -9.511 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -0.714 -2.713 -10.590 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.253 -2.324 -9.273 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.802 -3.637 -10.342 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.194 -3.771 -7.463 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -2.761 -5.088 -8.535 1.00 0.00 H new ATOM 498 N ILE A 33 1.578 -1.621 -7.716 1.00 0.00 N ATOM 499 CA ILE A 33 2.148 -0.549 -6.848 1.00 0.00 C ATOM 500 C ILE A 33 3.018 0.395 -7.683 1.00 0.00 C ATOM 501 O ILE A 33 2.979 0.382 -8.897 1.00 0.00 O ATOM 502 CB ILE A 33 2.982 -1.272 -5.774 1.00 0.00 C ATOM 503 CG1 ILE A 33 4.387 -1.576 -6.303 1.00 0.00 C ATOM 504 CG2 ILE A 33 2.295 -2.584 -5.377 1.00 0.00 C ATOM 505 CD1 ILE A 33 4.288 -2.443 -7.557 1.00 0.00 C ATOM 0 H ILE A 33 2.233 -2.035 -8.380 1.00 0.00 H new ATOM 0 HA ILE A 33 1.370 0.062 -6.389 1.00 0.00 H new ATOM 0 HB ILE A 33 3.062 -0.622 -4.903 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.909 -0.647 -6.532 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.971 -2.090 -5.539 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.890 -3.091 -4.617 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.303 -2.369 -4.978 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.203 -3.226 -6.253 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.289 -2.658 -7.931 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.783 -3.378 -7.314 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.721 -1.913 -8.322 1.00 0.00 H new ATOM 517 N GLN A 34 3.800 1.214 -7.040 1.00 0.00 N ATOM 518 CA GLN A 34 4.670 2.162 -7.793 1.00 0.00 C ATOM 519 C GLN A 34 6.133 1.992 -7.377 1.00 0.00 C ATOM 520 O GLN A 34 6.433 1.457 -6.328 1.00 0.00 O ATOM 521 CB GLN A 34 4.166 3.553 -7.411 1.00 0.00 C ATOM 522 CG GLN A 34 2.691 3.686 -7.798 1.00 0.00 C ATOM 523 CD GLN A 34 2.170 5.054 -7.356 1.00 0.00 C ATOM 524 OE1 GLN A 34 2.643 5.614 -6.386 1.00 0.00 O ATOM 525 NE2 GLN A 34 1.207 5.621 -8.030 1.00 0.00 N ATOM 0 H GLN A 34 3.876 1.269 -6.024 1.00 0.00 H new ATOM 0 HA GLN A 34 4.625 1.991 -8.869 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.288 3.714 -6.340 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.756 4.317 -7.917 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.575 3.572 -8.876 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.108 2.894 -7.329 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.809 5.152 -8.844 1.00 0.00 H new ATOM 0 HE22 GLN A 34 0.852 6.533 -7.743 1.00 0.00 H new ATOM 534 N GLY A 35 7.046 2.446 -8.192 1.00 0.00 N ATOM 535 CA GLY A 35 8.489 2.315 -7.844 1.00 0.00 C ATOM 536 C GLY A 35 9.082 3.704 -7.586 1.00 0.00 C ATOM 537 O GLY A 35 8.454 4.705 -7.870 1.00 0.00 O ATOM 0 H GLY A 35 6.855 2.902 -9.084 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.605 1.689 -6.960 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.026 1.824 -8.655 1.00 0.00 H new ATOM 541 N PRO A 36 10.280 3.724 -7.053 1.00 0.00 N ATOM 542 CA PRO A 36 10.962 5.005 -6.755 1.00 0.00 C ATOM 543 C PRO A 36 11.183 5.812 -8.036 1.00 0.00 C ATOM 544 O PRO A 36 11.395 7.008 -8.000 1.00 0.00 O ATOM 545 CB PRO A 36 12.296 4.545 -6.160 1.00 0.00 C ATOM 546 CG PRO A 36 12.326 3.005 -6.138 1.00 0.00 C ATOM 547 CD PRO A 36 11.010 2.475 -6.722 1.00 0.00 C ATOM 0 HA PRO A 36 10.394 5.657 -6.091 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.126 4.930 -6.752 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.415 4.939 -5.151 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.172 2.636 -6.718 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.458 2.645 -5.118 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.177 1.857 -7.604 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.464 1.864 -6.003 1.00 0.00 H new ATOM 555 N ASP A 37 11.137 5.168 -9.170 1.00 0.00 N ATOM 556 CA ASP A 37 11.348 5.903 -10.452 1.00 0.00 C ATOM 557 C ASP A 37 10.084 6.670 -10.836 1.00 0.00 C ATOM 558 O ASP A 37 10.145 7.741 -11.407 1.00 0.00 O ATOM 559 CB ASP A 37 11.657 4.820 -11.485 1.00 0.00 C ATOM 560 CG ASP A 37 12.974 4.131 -11.122 1.00 0.00 C ATOM 561 OD1 ASP A 37 13.747 4.722 -10.387 1.00 0.00 O ATOM 562 OD2 ASP A 37 13.187 3.022 -11.586 1.00 0.00 O ATOM 0 H ASP A 37 10.963 4.168 -9.266 1.00 0.00 H new ATOM 0 HA ASP A 37 12.152 6.636 -10.380 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.848 4.090 -11.515 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.726 5.260 -12.480 1.00 0.00 H new ATOM 567 N GLY A 38 8.940 6.133 -10.526 1.00 0.00 N ATOM 568 CA GLY A 38 7.675 6.834 -10.871 1.00 0.00 C ATOM 569 C GLY A 38 6.800 5.915 -11.727 1.00 0.00 C ATOM 570 O GLY A 38 5.597 6.076 -11.798 1.00 0.00 O ATOM 0 H GLY A 38 8.826 5.239 -10.049 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.144 7.117 -9.962 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.893 7.755 -11.412 1.00 0.00 H new ATOM 574 N LYS A 39 7.395 4.956 -12.380 1.00 0.00 N ATOM 575 CA LYS A 39 6.602 4.027 -13.236 1.00 0.00 C ATOM 576 C LYS A 39 5.929 2.954 -12.374 1.00 0.00 C ATOM 577 O LYS A 39 6.358 2.670 -11.273 1.00 0.00 O ATOM 578 CB LYS A 39 7.624 3.392 -14.180 1.00 0.00 C ATOM 579 CG LYS A 39 6.924 2.382 -15.091 1.00 0.00 C ATOM 580 CD LYS A 39 7.964 1.442 -15.705 1.00 0.00 C ATOM 581 CE LYS A 39 7.331 0.670 -16.864 1.00 0.00 C ATOM 582 NZ LYS A 39 6.701 1.714 -17.720 1.00 0.00 N ATOM 0 H LYS A 39 8.398 4.774 -12.358 1.00 0.00 H new ATOM 0 HA LYS A 39 5.808 4.541 -13.778 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.108 4.163 -14.779 1.00 0.00 H new ATOM 0 HB3 LYS A 39 8.407 2.897 -13.605 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.192 1.809 -14.522 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.379 2.903 -15.878 1.00 0.00 H new ATOM 0 HD2 LYS A 39 8.822 2.013 -16.060 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.333 0.748 -14.950 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.080 0.104 -17.418 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.592 -0.046 -16.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.672 1.384 -18.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.733 1.898 -17.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.258 2.591 -17.665 1.00 0.00 H new ATOM 596 N VAL A 40 4.879 2.355 -12.868 1.00 0.00 N ATOM 597 CA VAL A 40 4.183 1.300 -12.079 1.00 0.00 C ATOM 598 C VAL A 40 4.718 -0.083 -12.460 1.00 0.00 C ATOM 599 O VAL A 40 5.218 -0.288 -13.549 1.00 0.00 O ATOM 600 CB VAL A 40 2.708 1.425 -12.462 1.00 0.00 C ATOM 601 CG1 VAL A 40 1.916 0.290 -11.812 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.166 2.770 -11.974 1.00 0.00 C ATOM 0 H VAL A 40 4.474 2.551 -13.783 1.00 0.00 H new ATOM 0 HA VAL A 40 4.337 1.418 -11.006 1.00 0.00 H new ATOM 0 HB VAL A 40 2.607 1.365 -13.546 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.864 0.378 -12.084 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.302 -0.668 -12.159 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.017 0.350 -10.728 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.115 2.859 -12.247 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.266 2.831 -10.890 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.731 3.579 -12.437 1.00 0.00 H new ATOM 612 N HIS A 41 4.615 -1.034 -11.573 1.00 0.00 N ATOM 613 CA HIS A 41 5.116 -2.404 -11.886 1.00 0.00 C ATOM 614 C HIS A 41 3.974 -3.418 -11.786 1.00 0.00 C ATOM 615 O HIS A 41 2.853 -3.076 -11.465 1.00 0.00 O ATOM 616 CB HIS A 41 6.181 -2.687 -10.827 1.00 0.00 C ATOM 617 CG HIS A 41 7.316 -1.713 -10.985 1.00 0.00 C ATOM 618 ND1 HIS A 41 8.364 -1.935 -11.866 1.00 0.00 N ATOM 619 CD2 HIS A 41 7.583 -0.508 -10.382 1.00 0.00 C ATOM 620 CE1 HIS A 41 9.203 -0.886 -11.769 1.00 0.00 C ATOM 621 NE2 HIS A 41 8.774 0.012 -10.879 1.00 0.00 N ATOM 0 H HIS A 41 4.206 -0.923 -10.645 1.00 0.00 H new ATOM 0 HA HIS A 41 5.518 -2.478 -12.896 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.750 -2.601 -9.830 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.547 -3.709 -10.928 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.962 -0.036 -9.635 1.00 0.00 H new ATOM 0 HE1 HIS A 41 10.113 -0.784 -12.342 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.223 0.890 -10.619 1.00 0.00 H new ATOM 629 N GLY A 42 4.248 -4.665 -12.057 1.00 0.00 N ATOM 630 CA GLY A 42 3.178 -5.698 -11.976 1.00 0.00 C ATOM 631 C GLY A 42 2.678 -5.798 -10.533 1.00 0.00 C ATOM 632 O GLY A 42 1.512 -5.602 -10.253 1.00 0.00 O ATOM 0 H GLY A 42 5.167 -5.013 -12.331 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.354 -5.438 -12.641 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.562 -6.663 -12.307 1.00 0.00 H new ATOM 636 N ASN A 43 3.554 -6.100 -9.613 1.00 0.00 N ATOM 637 CA ASN A 43 3.132 -6.211 -8.187 1.00 0.00 C ATOM 638 C ASN A 43 4.273 -5.785 -7.262 1.00 0.00 C ATOM 639 O ASN A 43 5.253 -5.208 -7.688 1.00 0.00 O ATOM 640 CB ASN A 43 2.800 -7.688 -7.980 1.00 0.00 C ATOM 641 CG ASN A 43 4.000 -8.547 -8.391 1.00 0.00 C ATOM 642 OD1 ASN A 43 4.783 -8.156 -9.235 1.00 0.00 O ATOM 643 ND2 ASN A 43 4.179 -9.708 -7.825 1.00 0.00 N ATOM 0 H ASN A 43 4.544 -6.275 -9.787 1.00 0.00 H new ATOM 0 HA ASN A 43 2.281 -5.568 -7.961 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.549 -7.872 -6.935 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.925 -7.961 -8.571 1.00 0.00 H new ATOM 0 HD21 ASN A 43 4.975 -10.287 -8.090 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.523 -10.037 -7.117 1.00 0.00 H new ATOM 650 N THR A 44 4.148 -6.066 -5.996 1.00 0.00 N ATOM 651 CA THR A 44 5.219 -5.678 -5.035 1.00 0.00 C ATOM 652 C THR A 44 6.549 -6.319 -5.436 1.00 0.00 C ATOM 653 O THR A 44 7.602 -5.733 -5.280 1.00 0.00 O ATOM 654 CB THR A 44 4.753 -6.210 -3.679 1.00 0.00 C ATOM 655 OG1 THR A 44 3.530 -5.581 -3.322 1.00 0.00 O ATOM 656 CG2 THR A 44 5.814 -5.909 -2.620 1.00 0.00 C ATOM 0 H THR A 44 3.349 -6.548 -5.584 1.00 0.00 H new ATOM 0 HA THR A 44 5.381 -4.600 -5.014 1.00 0.00 H new ATOM 0 HB THR A 44 4.603 -7.288 -3.741 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.228 -5.921 -2.454 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.481 -6.288 -1.654 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.751 -6.392 -2.896 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.967 -4.832 -2.554 1.00 0.00 H new ATOM 664 N CYS A 45 6.513 -7.512 -5.960 1.00 0.00 N ATOM 665 CA CYS A 45 7.785 -8.171 -6.375 1.00 0.00 C ATOM 666 C CYS A 45 8.369 -7.430 -7.576 1.00 0.00 C ATOM 667 O CYS A 45 9.519 -7.042 -7.575 1.00 0.00 O ATOM 668 CB CYS A 45 7.415 -9.604 -6.759 1.00 0.00 C ATOM 669 SG CYS A 45 6.304 -10.311 -5.519 1.00 0.00 S ATOM 0 H CYS A 45 5.665 -8.057 -6.119 1.00 0.00 H new ATOM 0 HA CYS A 45 8.531 -8.160 -5.580 1.00 0.00 H new ATOM 0 HB2 CYS A 45 6.935 -9.614 -7.737 1.00 0.00 H new ATOM 0 HB3 CYS A 45 8.316 -10.212 -6.840 1.00 0.00 H new ATOM 674 N SER A 46 7.584 -7.220 -8.598 1.00 0.00 N ATOM 675 CA SER A 46 8.102 -6.487 -9.786 1.00 0.00 C ATOM 676 C SER A 46 8.868 -5.251 -9.316 1.00 0.00 C ATOM 677 O SER A 46 9.959 -4.970 -9.769 1.00 0.00 O ATOM 678 CB SER A 46 6.860 -6.083 -10.581 1.00 0.00 C ATOM 679 OG SER A 46 6.183 -7.248 -11.030 1.00 0.00 O ATOM 0 H SER A 46 6.612 -7.523 -8.661 1.00 0.00 H new ATOM 0 HA SER A 46 8.782 -7.087 -10.391 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.197 -5.482 -9.959 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.146 -5.465 -11.432 1.00 0.00 H new ATOM 0 HG SER A 46 5.770 -7.702 -10.266 1.00 0.00 H new ATOM 685 N MET A 47 8.307 -4.521 -8.391 1.00 0.00 N ATOM 686 CA MET A 47 9.005 -3.315 -7.869 1.00 0.00 C ATOM 687 C MET A 47 10.259 -3.750 -7.113 1.00 0.00 C ATOM 688 O MET A 47 11.209 -3.006 -6.972 1.00 0.00 O ATOM 689 CB MET A 47 8.005 -2.664 -6.915 1.00 0.00 C ATOM 690 CG MET A 47 8.058 -1.145 -7.079 1.00 0.00 C ATOM 691 SD MET A 47 9.501 -0.498 -6.199 1.00 0.00 S ATOM 692 CE MET A 47 9.066 -1.131 -4.560 1.00 0.00 C ATOM 0 H MET A 47 7.395 -4.709 -7.975 1.00 0.00 H new ATOM 0 HA MET A 47 9.315 -2.629 -8.657 1.00 0.00 H new ATOM 0 HB2 MET A 47 6.999 -3.028 -7.122 1.00 0.00 H new ATOM 0 HB3 MET A 47 8.237 -2.938 -5.886 1.00 0.00 H new ATOM 0 HG2 MET A 47 8.115 -0.884 -8.136 1.00 0.00 H new ATOM 0 HG3 MET A 47 7.146 -0.693 -6.688 1.00 0.00 H new ATOM 0 HE1 MET A 47 9.403 -0.428 -3.798 1.00 0.00 H new ATOM 0 HE2 MET A 47 7.985 -1.251 -4.491 1.00 0.00 H new ATOM 0 HE3 MET A 47 9.548 -2.096 -4.403 1.00 0.00 H new ATOM 702 N CYS A 48 10.259 -4.959 -6.629 1.00 0.00 N ATOM 703 CA CYS A 48 11.439 -5.473 -5.880 1.00 0.00 C ATOM 704 C CYS A 48 12.439 -6.116 -6.850 1.00 0.00 C ATOM 705 O CYS A 48 13.636 -6.046 -6.654 1.00 0.00 O ATOM 706 CB CYS A 48 10.865 -6.509 -4.908 1.00 0.00 C ATOM 707 SG CYS A 48 10.130 -5.662 -3.484 1.00 0.00 S ATOM 0 H CYS A 48 9.486 -5.619 -6.721 1.00 0.00 H new ATOM 0 HA CYS A 48 11.980 -4.686 -5.355 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.113 -7.117 -5.411 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.652 -7.186 -4.575 1.00 0.00 H new ATOM 712 N GLU A 49 11.964 -6.728 -7.906 1.00 0.00 N ATOM 713 CA GLU A 49 12.904 -7.351 -8.884 1.00 0.00 C ATOM 714 C GLU A 49 13.847 -6.280 -9.428 1.00 0.00 C ATOM 715 O GLU A 49 15.044 -6.473 -9.514 1.00 0.00 O ATOM 716 CB GLU A 49 12.021 -7.889 -10.016 1.00 0.00 C ATOM 717 CG GLU A 49 11.019 -8.906 -9.467 1.00 0.00 C ATOM 718 CD GLU A 49 10.498 -9.774 -10.615 1.00 0.00 C ATOM 719 OE1 GLU A 49 10.607 -9.345 -11.753 1.00 0.00 O ATOM 720 OE2 GLU A 49 9.999 -10.852 -10.338 1.00 0.00 O ATOM 0 H GLU A 49 10.974 -6.822 -8.131 1.00 0.00 H new ATOM 0 HA GLU A 49 13.508 -8.139 -8.433 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.490 -7.066 -10.495 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.642 -8.356 -10.781 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.495 -9.530 -8.711 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.191 -8.391 -8.980 1.00 0.00 H new ATOM 727 N VAL A 50 13.312 -5.146 -9.792 1.00 0.00 N ATOM 728 CA VAL A 50 14.177 -4.055 -10.324 1.00 0.00 C ATOM 729 C VAL A 50 15.153 -3.607 -9.238 1.00 0.00 C ATOM 730 O VAL A 50 16.330 -3.429 -9.480 1.00 0.00 O ATOM 731 CB VAL A 50 13.219 -2.922 -10.705 1.00 0.00 C ATOM 732 CG1 VAL A 50 12.013 -3.499 -11.446 1.00 0.00 C ATOM 733 CG2 VAL A 50 12.741 -2.203 -9.442 1.00 0.00 C ATOM 0 H VAL A 50 12.317 -4.929 -9.744 1.00 0.00 H new ATOM 0 HA VAL A 50 14.771 -4.370 -11.182 1.00 0.00 H new ATOM 0 HB VAL A 50 13.740 -2.214 -11.350 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.332 -2.692 -11.717 1.00 0.00 H new ATOM 0 HG12 VAL A 50 12.350 -4.008 -12.349 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.496 -4.209 -10.801 1.00 0.00 H new ATOM 0 HG21 VAL A 50 12.060 -1.398 -9.717 1.00 0.00 H new ATOM 0 HG22 VAL A 50 12.223 -2.911 -8.794 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.599 -1.788 -8.913 1.00 0.00 H new ATOM 743 N PHE A 51 14.676 -3.444 -8.033 1.00 0.00 N ATOM 744 CA PHE A 51 15.585 -3.033 -6.928 1.00 0.00 C ATOM 745 C PHE A 51 16.611 -4.138 -6.694 1.00 0.00 C ATOM 746 O PHE A 51 17.777 -3.886 -6.459 1.00 0.00 O ATOM 747 CB PHE A 51 14.683 -2.863 -5.705 1.00 0.00 C ATOM 748 CG PHE A 51 15.537 -2.753 -4.465 1.00 0.00 C ATOM 749 CD1 PHE A 51 16.429 -1.684 -4.322 1.00 0.00 C ATOM 750 CD2 PHE A 51 15.436 -3.720 -3.458 1.00 0.00 C ATOM 751 CE1 PHE A 51 17.221 -1.581 -3.172 1.00 0.00 C ATOM 752 CE2 PHE A 51 16.227 -3.617 -2.307 1.00 0.00 C ATOM 753 CZ PHE A 51 17.120 -2.548 -2.165 1.00 0.00 C ATOM 0 H PHE A 51 13.700 -3.577 -7.768 1.00 0.00 H new ATOM 0 HA PHE A 51 16.130 -2.115 -7.146 1.00 0.00 H new ATOM 0 HB2 PHE A 51 14.066 -1.971 -5.815 1.00 0.00 H new ATOM 0 HB3 PHE A 51 14.004 -3.712 -5.619 1.00 0.00 H new ATOM 0 HD1 PHE A 51 16.506 -0.938 -5.099 1.00 0.00 H new ATOM 0 HD2 PHE A 51 14.748 -4.545 -3.569 1.00 0.00 H new ATOM 0 HE1 PHE A 51 17.909 -0.756 -3.062 1.00 0.00 H new ATOM 0 HE2 PHE A 51 16.148 -4.362 -1.529 1.00 0.00 H new ATOM 0 HZ PHE A 51 17.731 -2.469 -1.278 1.00 0.00 H new ATOM 763 N PHE A 52 16.181 -5.365 -6.775 1.00 0.00 N ATOM 764 CA PHE A 52 17.117 -6.505 -6.581 1.00 0.00 C ATOM 765 C PHE A 52 18.109 -6.548 -7.742 1.00 0.00 C ATOM 766 O PHE A 52 19.268 -6.871 -7.576 1.00 0.00 O ATOM 767 CB PHE A 52 16.219 -7.742 -6.586 1.00 0.00 C ATOM 768 CG PHE A 52 15.804 -8.073 -5.173 1.00 0.00 C ATOM 769 CD1 PHE A 52 16.728 -7.981 -4.125 1.00 0.00 C ATOM 770 CD2 PHE A 52 14.489 -8.464 -4.914 1.00 0.00 C ATOM 771 CE1 PHE A 52 16.330 -8.281 -2.816 1.00 0.00 C ATOM 772 CE2 PHE A 52 14.093 -8.765 -3.608 1.00 0.00 C ATOM 773 CZ PHE A 52 15.012 -8.673 -2.558 1.00 0.00 C ATOM 0 H PHE A 52 15.215 -5.628 -6.969 1.00 0.00 H new ATOM 0 HA PHE A 52 17.700 -6.432 -5.663 1.00 0.00 H new ATOM 0 HB2 PHE A 52 15.338 -7.561 -7.202 1.00 0.00 H new ATOM 0 HB3 PHE A 52 16.749 -8.586 -7.027 1.00 0.00 H new ATOM 0 HD1 PHE A 52 17.745 -7.679 -4.326 1.00 0.00 H new ATOM 0 HD2 PHE A 52 13.777 -8.534 -5.723 1.00 0.00 H new ATOM 0 HE1 PHE A 52 17.041 -8.210 -2.006 1.00 0.00 H new ATOM 0 HE2 PHE A 52 13.076 -9.069 -3.409 1.00 0.00 H new ATOM 0 HZ PHE A 52 14.705 -8.904 -1.549 1.00 0.00 H new ATOM 783 N GLN A 53 17.657 -6.208 -8.916 1.00 0.00 N ATOM 784 CA GLN A 53 18.561 -6.208 -10.097 1.00 0.00 C ATOM 785 C GLN A 53 19.568 -5.063 -9.972 1.00 0.00 C ATOM 786 O GLN A 53 20.733 -5.206 -10.285 1.00 0.00 O ATOM 787 CB GLN A 53 17.636 -5.979 -11.291 1.00 0.00 C ATOM 788 CG GLN A 53 18.265 -6.572 -12.552 1.00 0.00 C ATOM 789 CD GLN A 53 17.697 -5.865 -13.786 1.00 0.00 C ATOM 790 OE1 GLN A 53 18.300 -5.881 -14.840 1.00 0.00 O ATOM 791 NE2 GLN A 53 16.555 -5.239 -13.699 1.00 0.00 N ATOM 0 H GLN A 53 16.695 -5.929 -9.108 1.00 0.00 H new ATOM 0 HA GLN A 53 19.132 -7.132 -10.194 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.666 -6.440 -11.105 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.461 -4.912 -11.428 1.00 0.00 H new ATOM 0 HG2 GLN A 53 19.348 -6.456 -12.520 1.00 0.00 H new ATOM 0 HG3 GLN A 53 18.060 -7.641 -12.605 1.00 0.00 H new ATOM 0 HE21 GLN A 53 16.047 -5.225 -12.814 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.170 -4.764 -14.516 1.00 0.00 H new ATOM 800 N ALA A 54 19.119 -3.928 -9.513 1.00 0.00 N ATOM 801 CA ALA A 54 20.037 -2.764 -9.360 1.00 0.00 C ATOM 802 C ALA A 54 21.096 -3.061 -8.295 1.00 0.00 C ATOM 803 O ALA A 54 22.229 -2.633 -8.398 1.00 0.00 O ATOM 804 CB ALA A 54 19.141 -1.608 -8.917 1.00 0.00 C ATOM 0 H ALA A 54 18.153 -3.756 -9.236 1.00 0.00 H new ATOM 0 HA ALA A 54 20.571 -2.536 -10.283 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.745 -0.711 -8.782 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.382 -1.424 -9.677 1.00 0.00 H new ATOM 0 HB3 ALA A 54 18.656 -1.864 -7.975 1.00 0.00 H new ATOM 810 N GLU A 55 20.740 -3.790 -7.272 1.00 0.00 N ATOM 811 CA GLU A 55 21.734 -4.106 -6.206 1.00 0.00 C ATOM 812 C GLU A 55 22.938 -4.832 -6.810 1.00 0.00 C ATOM 813 O GLU A 55 24.047 -4.728 -6.323 1.00 0.00 O ATOM 814 CB GLU A 55 20.992 -5.015 -5.226 1.00 0.00 C ATOM 815 CG GLU A 55 20.052 -4.173 -4.360 1.00 0.00 C ATOM 816 CD GLU A 55 20.839 -3.032 -3.711 1.00 0.00 C ATOM 817 OE1 GLU A 55 22.039 -3.182 -3.552 1.00 0.00 O ATOM 818 OE2 GLU A 55 20.227 -2.028 -3.385 1.00 0.00 O ATOM 0 H GLU A 55 19.808 -4.179 -7.128 1.00 0.00 H new ATOM 0 HA GLU A 55 22.116 -3.210 -5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.424 -5.769 -5.771 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.705 -5.547 -4.596 1.00 0.00 H new ATOM 0 HG2 GLU A 55 19.243 -3.770 -4.969 1.00 0.00 H new ATOM 0 HG3 GLU A 55 19.593 -4.795 -3.592 1.00 0.00 H new ATOM 825 N GLU A 56 22.730 -5.562 -7.870 1.00 0.00 N ATOM 826 CA GLU A 56 23.864 -6.289 -8.509 1.00 0.00 C ATOM 827 C GLU A 56 24.812 -5.294 -9.182 1.00 0.00 C ATOM 828 O GLU A 56 25.937 -5.615 -9.507 1.00 0.00 O ATOM 829 CB GLU A 56 23.215 -7.203 -9.548 1.00 0.00 C ATOM 830 CG GLU A 56 22.188 -8.107 -8.863 1.00 0.00 C ATOM 831 CD GLU A 56 21.402 -8.881 -9.924 1.00 0.00 C ATOM 832 OE1 GLU A 56 21.731 -8.747 -11.092 1.00 0.00 O ATOM 833 OE2 GLU A 56 20.485 -9.593 -9.551 1.00 0.00 O ATOM 0 H GLU A 56 21.824 -5.687 -8.322 1.00 0.00 H new ATOM 0 HA GLU A 56 24.455 -6.853 -7.787 1.00 0.00 H new ATOM 0 HB2 GLU A 56 22.731 -6.606 -10.321 1.00 0.00 H new ATOM 0 HB3 GLU A 56 23.976 -7.808 -10.041 1.00 0.00 H new ATOM 0 HG2 GLU A 56 22.691 -8.801 -8.189 1.00 0.00 H new ATOM 0 HG3 GLU A 56 21.509 -7.509 -8.256 1.00 0.00 H new