USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 384 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 SER OG : rot 180:sc= 1.04 USER MOD Set 1.2: A 44 THR OG1 : rot 72:sc= 1.16 USER MOD Set 2.1: A 16 CYS SG : rot -163:sc= 1.73 USER MOD Set 2.2: A 19 CYS SG : rot -49:sc= -1.16! USER MOD Set 2.3: A 49 CYS SG : rot -39:sc= 1.96 USER MOD Set 2.4: A 52 CYS SG : rot 101:sc= 1.09 USER MOD Set 3.1: A 8 GLN : amide:sc= 0.927 K(o=0.95,f=-2.7) USER MOD Set 3.2: A 10 HIS : no HE2:sc= 0.0228 K(o=0.95,f=-3.5) USER MOD Single : A 11 LYS NZ :NH3+ 141:sc= 1.25 (180deg=0.958) USER MOD Single : A 14 CYS SG : rot -129:sc= 0.765 USER MOD Single : A 17 CYS SG : rot -29:sc= 0.146 USER MOD Single : A 18 LYS NZ :NH3+ 143:sc= 0.0102 (180deg=-0.549) USER MOD Single : A 26 THR OG1 : rot 6:sc= 1.15 USER MOD Single : A 29 SER OG : rot -72:sc= 0.953 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0.108 K(o=0.11,f=-5.5!) USER MOD Single : A 39 GLN : amide:sc= -0.0133 X(o=-0.013,f=-0.11) USER MOD Single : A 46 SER OG : rot -133:sc= -0.082 USER MOD Single : A 54 THR OG1 : rot 96:sc= 1.19 USER MOD Single : A 55 ASN : amide:sc= 1.2 K(o=1.2,f=-0.062) USER MOD Single : A 56 GLN : amide:sc= 1.14 K(o=1.1,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 92 N GLN A 8 9.670 -3.467 -1.368 1.00 0.00 N ATOM 93 CA GLN A 8 8.759 -3.329 -2.483 1.00 0.00 C ATOM 94 C GLN A 8 7.521 -2.513 -2.056 1.00 0.00 C ATOM 95 O GLN A 8 6.394 -3.008 -1.995 1.00 0.00 O ATOM 96 CB GLN A 8 8.578 -4.734 -3.096 1.00 0.00 C ATOM 97 CG GLN A 8 7.617 -4.766 -4.279 1.00 0.00 C ATOM 98 CD GLN A 8 7.582 -6.079 -5.054 1.00 0.00 C ATOM 99 OE1 GLN A 8 8.099 -7.118 -4.649 1.00 0.00 O ATOM 100 NE2 GLN A 8 6.949 -6.028 -6.218 1.00 0.00 N ATOM 0 HA GLN A 8 9.128 -2.723 -3.310 1.00 0.00 H new ATOM 0 HB2 GLN A 8 9.550 -5.108 -3.418 1.00 0.00 H new ATOM 0 HB3 GLN A 8 8.214 -5.413 -2.325 1.00 0.00 H new ATOM 0 HG2 GLN A 8 6.612 -4.551 -3.916 1.00 0.00 H new ATOM 0 HG3 GLN A 8 7.886 -3.964 -4.967 1.00 0.00 H new ATOM 0 HE21 GLN A 8 6.528 -5.153 -6.532 1.00 0.00 H new ATOM 0 HE22 GLN A 8 6.883 -6.863 -6.800 1.00 0.00 H new ATOM 109 N ARG A 9 7.765 -1.220 -1.769 1.00 0.00 N ATOM 110 CA ARG A 9 6.757 -0.187 -1.529 1.00 0.00 C ATOM 111 C ARG A 9 5.999 0.079 -2.823 1.00 0.00 C ATOM 112 O ARG A 9 6.503 0.782 -3.700 1.00 0.00 O ATOM 113 CB ARG A 9 7.409 1.092 -0.969 1.00 0.00 C ATOM 114 CG ARG A 9 6.389 2.135 -0.499 1.00 0.00 C ATOM 115 CD ARG A 9 6.605 3.510 -1.133 1.00 0.00 C ATOM 116 NE ARG A 9 7.876 4.102 -0.685 1.00 0.00 N ATOM 117 CZ ARG A 9 8.180 5.386 -0.477 1.00 0.00 C ATOM 118 NH1 ARG A 9 7.294 6.357 -0.697 1.00 0.00 N ATOM 119 NH2 ARG A 9 9.403 5.666 -0.041 1.00 0.00 N ATOM 0 H ARG A 9 8.716 -0.858 -1.696 1.00 0.00 H new ATOM 0 HA ARG A 9 6.047 -0.532 -0.777 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.057 0.826 -0.134 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.044 1.534 -1.737 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.384 1.785 -0.736 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.446 2.228 0.586 1.00 0.00 H new ATOM 0 HD2 ARG A 9 6.605 3.418 -2.219 1.00 0.00 H new ATOM 0 HD3 ARG A 9 5.779 4.170 -0.869 1.00 0.00 H new ATOM 0 HE ARG A 9 8.631 3.439 -0.509 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.358 6.127 -1.032 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.552 7.330 -0.530 1.00 0.00 H new ATOM 0 HH21 ARG A 9 10.071 4.913 0.123 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.674 6.634 0.130 1.00 0.00 H new ATOM 133 N HIS A 10 4.800 -0.486 -2.940 1.00 0.00 N ATOM 134 CA HIS A 10 3.908 -0.190 -4.068 1.00 0.00 C ATOM 135 C HIS A 10 2.858 0.838 -3.664 1.00 0.00 C ATOM 136 O HIS A 10 2.709 1.147 -2.480 1.00 0.00 O ATOM 137 CB HIS A 10 3.243 -1.460 -4.596 1.00 0.00 C ATOM 138 CG HIS A 10 4.116 -2.244 -5.548 1.00 0.00 C ATOM 139 ND1 HIS A 10 3.739 -2.634 -6.816 1.00 0.00 N ATOM 140 CD2 HIS A 10 5.416 -2.641 -5.361 1.00 0.00 C ATOM 141 CE1 HIS A 10 4.779 -3.276 -7.372 1.00 0.00 C ATOM 142 NE2 HIS A 10 5.817 -3.315 -6.524 1.00 0.00 N ATOM 0 H HIS A 10 4.419 -1.153 -2.269 1.00 0.00 H new ATOM 0 HA HIS A 10 4.512 0.229 -4.872 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.974 -2.097 -3.754 1.00 0.00 H new ATOM 0 HB3 HIS A 10 2.316 -1.192 -5.102 1.00 0.00 H new ATOM 0 HD1 HIS A 10 2.833 -2.465 -7.253 1.00 0.00 H new ATOM 0 HD2 HIS A 10 6.019 -2.467 -4.482 1.00 0.00 H new ATOM 0 HE1 HIS A 10 4.779 -3.702 -8.364 1.00 0.00 H new ATOM 150 N LYS A 11 2.103 1.346 -4.646 1.00 0.00 N ATOM 151 CA LYS A 11 0.912 2.155 -4.433 1.00 0.00 C ATOM 152 C LYS A 11 -0.281 1.397 -4.999 1.00 0.00 C ATOM 153 O LYS A 11 -0.258 1.003 -6.164 1.00 0.00 O ATOM 154 CB LYS A 11 1.069 3.566 -5.021 1.00 0.00 C ATOM 155 CG LYS A 11 2.325 4.270 -4.468 1.00 0.00 C ATOM 156 CD LYS A 11 2.101 5.717 -4.020 1.00 0.00 C ATOM 157 CE LYS A 11 1.894 6.601 -5.244 1.00 0.00 C ATOM 158 NZ LYS A 11 1.694 8.021 -4.894 1.00 0.00 N ATOM 0 H LYS A 11 2.315 1.198 -5.633 1.00 0.00 H new ATOM 0 HA LYS A 11 0.750 2.315 -3.367 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.134 3.504 -6.107 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.185 4.159 -4.788 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.704 3.696 -3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.100 4.257 -5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.232 5.776 -3.365 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.958 6.068 -3.445 1.00 0.00 H new ATOM 0 HE2 LYS A 11 2.758 6.512 -5.902 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.029 6.244 -5.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.187 8.622 -5.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.678 8.242 -4.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.077 8.202 -3.944 1.00 0.00 H new ATOM 172 N ILE A 12 -1.285 1.157 -4.154 1.00 0.00 N ATOM 173 CA ILE A 12 -2.507 0.426 -4.477 1.00 0.00 C ATOM 174 C ILE A 12 -3.691 1.315 -4.096 1.00 0.00 C ATOM 175 O ILE A 12 -4.026 1.461 -2.925 1.00 0.00 O ATOM 176 CB ILE A 12 -2.576 -0.951 -3.773 1.00 0.00 C ATOM 177 CG1 ILE A 12 -1.304 -1.796 -4.010 1.00 0.00 C ATOM 178 CG2 ILE A 12 -3.825 -1.716 -4.266 1.00 0.00 C ATOM 179 CD1 ILE A 12 -1.317 -3.105 -3.217 1.00 0.00 C ATOM 0 H ILE A 12 -1.266 1.481 -3.187 1.00 0.00 H new ATOM 0 HA ILE A 12 -2.528 0.204 -5.544 1.00 0.00 H new ATOM 0 HB ILE A 12 -2.645 -0.775 -2.700 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -1.212 -2.019 -5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.427 -1.213 -3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.876 -2.686 -3.772 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -4.720 -1.141 -4.030 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.761 -1.861 -5.344 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.402 -3.662 -3.418 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.380 -2.884 -2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -2.178 -3.703 -3.516 1.00 0.00 H new ATOM 191 N LEU A 13 -4.332 1.919 -5.089 1.00 0.00 N ATOM 192 CA LEU A 13 -5.607 2.592 -4.938 1.00 0.00 C ATOM 193 C LEU A 13 -6.685 1.562 -4.614 1.00 0.00 C ATOM 194 O LEU A 13 -7.055 0.762 -5.471 1.00 0.00 O ATOM 195 CB LEU A 13 -5.898 3.425 -6.194 1.00 0.00 C ATOM 196 CG LEU A 13 -7.070 4.416 -6.031 1.00 0.00 C ATOM 197 CD1 LEU A 13 -6.871 5.559 -7.033 1.00 0.00 C ATOM 198 CD2 LEU A 13 -8.448 3.785 -6.275 1.00 0.00 C ATOM 0 H LEU A 13 -3.968 1.953 -6.041 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.588 3.293 -4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -5.000 3.981 -6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.118 2.751 -7.022 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.060 4.762 -4.997 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.688 6.274 -6.937 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -5.925 6.060 -6.830 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.858 5.157 -8.046 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.223 4.540 -6.143 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.494 3.392 -7.291 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.608 2.974 -5.565 1.00 0.00 H new ATOM 210 N CYS A 14 -7.171 1.591 -3.372 1.00 0.00 N ATOM 211 CA CYS A 14 -8.370 0.877 -2.946 1.00 0.00 C ATOM 212 C CYS A 14 -9.525 1.875 -2.767 1.00 0.00 C ATOM 213 O CYS A 14 -9.337 3.084 -2.930 1.00 0.00 O ATOM 214 CB CYS A 14 -8.063 0.108 -1.657 1.00 0.00 C ATOM 215 SG CYS A 14 -6.708 -1.054 -1.971 1.00 0.00 S ATOM 0 H CYS A 14 -6.731 2.123 -2.621 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.677 0.154 -3.702 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -7.788 0.801 -0.862 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -8.949 -0.429 -1.319 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.046 -2.238 -1.553 1.00 0.00 H new ATOM 221 N VAL A 15 -10.726 1.385 -2.427 1.00 0.00 N ATOM 222 CA VAL A 15 -11.878 2.249 -2.184 1.00 0.00 C ATOM 223 C VAL A 15 -12.660 1.834 -0.939 1.00 0.00 C ATOM 224 O VAL A 15 -12.643 0.669 -0.523 1.00 0.00 O ATOM 225 CB VAL A 15 -12.803 2.357 -3.421 1.00 0.00 C ATOM 226 CG1 VAL A 15 -12.111 3.048 -4.603 1.00 0.00 C ATOM 227 CG2 VAL A 15 -13.359 0.997 -3.876 1.00 0.00 C ATOM 0 H VAL A 15 -10.920 0.390 -2.315 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.476 3.244 -1.995 1.00 0.00 H new ATOM 0 HB VAL A 15 -13.642 2.972 -3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -12.799 3.101 -5.447 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -11.815 4.056 -4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.227 2.479 -4.890 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.000 1.139 -4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -12.533 0.335 -4.137 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -13.939 0.552 -3.067 1.00 0.00 H new ATOM 237 N CYS A 16 -13.375 2.810 -0.373 1.00 0.00 N ATOM 238 CA CYS A 16 -14.358 2.609 0.684 1.00 0.00 C ATOM 239 C CYS A 16 -15.637 2.040 0.075 1.00 0.00 C ATOM 240 O CYS A 16 -16.339 2.760 -0.627 1.00 0.00 O ATOM 241 CB CYS A 16 -14.665 3.953 1.349 1.00 0.00 C ATOM 242 SG CYS A 16 -15.763 3.733 2.770 1.00 0.00 S ATOM 0 H CYS A 16 -13.280 3.788 -0.648 1.00 0.00 H new ATOM 0 HA CYS A 16 -13.966 1.915 1.428 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -13.737 4.425 1.671 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -15.129 4.624 0.626 1.00 0.00 H new ATOM 0 HG CYS A 16 -16.288 4.877 3.094 1.00 0.00 H new ATOM 247 N CYS A 17 -15.991 0.784 0.358 1.00 0.00 N ATOM 248 CA CYS A 17 -17.170 0.155 -0.244 1.00 0.00 C ATOM 249 C CYS A 17 -18.504 0.851 0.101 1.00 0.00 C ATOM 250 O CYS A 17 -19.505 0.554 -0.551 1.00 0.00 O ATOM 251 CB CYS A 17 -17.193 -1.331 0.144 1.00 0.00 C ATOM 252 SG CYS A 17 -18.455 -2.256 -0.775 1.00 0.00 S ATOM 0 H CYS A 17 -15.477 0.182 1.001 1.00 0.00 H new ATOM 0 HA CYS A 17 -17.079 0.262 -1.325 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -16.213 -1.770 -0.045 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -17.383 -1.423 1.213 1.00 0.00 H new ATOM 0 HG CYS A 17 -19.442 -1.464 -1.073 1.00 0.00 H new ATOM 258 N LYS A 18 -18.566 1.762 1.088 1.00 0.00 N ATOM 259 CA LYS A 18 -19.802 2.501 1.357 1.00 0.00 C ATOM 260 C LYS A 18 -19.953 3.648 0.374 1.00 0.00 C ATOM 261 O LYS A 18 -21.025 3.862 -0.182 1.00 0.00 O ATOM 262 CB LYS A 18 -19.870 3.101 2.772 1.00 0.00 C ATOM 263 CG LYS A 18 -19.063 2.391 3.860 1.00 0.00 C ATOM 264 CD LYS A 18 -19.881 2.413 5.155 1.00 0.00 C ATOM 265 CE LYS A 18 -19.181 1.677 6.298 1.00 0.00 C ATOM 266 NZ LYS A 18 -20.037 1.610 7.496 1.00 0.00 N ATOM 0 H LYS A 18 -17.786 1.998 1.701 1.00 0.00 H new ATOM 0 HA LYS A 18 -20.602 1.768 1.256 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -19.532 4.136 2.719 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -20.915 3.122 3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.847 1.364 3.564 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.104 2.888 4.008 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -20.063 3.447 5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -20.854 1.957 4.975 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -18.920 0.668 5.978 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -18.248 2.185 6.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -19.903 0.693 7.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -19.780 2.377 8.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -21.034 1.713 7.217 1.00 0.00 H new ATOM 280 N CYS A 19 -18.879 4.433 0.263 1.00 0.00 N ATOM 281 CA CYS A 19 -18.918 5.774 -0.297 1.00 0.00 C ATOM 282 C CYS A 19 -18.091 5.897 -1.574 1.00 0.00 C ATOM 283 O CYS A 19 -18.013 6.986 -2.135 1.00 0.00 O ATOM 284 CB CYS A 19 -18.471 6.758 0.789 1.00 0.00 C ATOM 285 SG CYS A 19 -16.746 6.647 1.340 1.00 0.00 S ATOM 0 H CYS A 19 -17.948 4.146 0.565 1.00 0.00 H new ATOM 0 HA CYS A 19 -19.937 6.011 -0.602 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -18.645 7.770 0.422 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -19.114 6.619 1.658 1.00 0.00 H new ATOM 0 HG CYS A 19 -16.454 5.408 1.605 1.00 0.00 H new ATOM 290 N ASP A 20 -17.465 4.794 -2.007 1.00 0.00 N ATOM 291 CA ASP A 20 -16.520 4.689 -3.117 1.00 0.00 C ATOM 292 C ASP A 20 -15.383 5.716 -2.993 1.00 0.00 C ATOM 293 O ASP A 20 -14.810 6.188 -3.974 1.00 0.00 O ATOM 294 CB ASP A 20 -17.304 4.714 -4.427 1.00 0.00 C ATOM 295 CG ASP A 20 -16.429 4.406 -5.648 1.00 0.00 C ATOM 296 OD1 ASP A 20 -15.621 3.453 -5.545 1.00 0.00 O ATOM 297 OD2 ASP A 20 -16.627 5.073 -6.688 1.00 0.00 O ATOM 0 H ASP A 20 -17.619 3.892 -1.557 1.00 0.00 H new ATOM 0 HA ASP A 20 -15.991 3.736 -3.095 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -18.115 3.987 -4.374 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -17.763 5.695 -4.552 1.00 0.00 H new ATOM 302 N GLY A 21 -15.052 6.078 -1.746 1.00 0.00 N ATOM 303 CA GLY A 21 -14.010 7.047 -1.471 1.00 0.00 C ATOM 304 C GLY A 21 -12.676 6.493 -1.930 1.00 0.00 C ATOM 305 O GLY A 21 -12.332 5.345 -1.652 1.00 0.00 O ATOM 0 H GLY A 21 -15.503 5.703 -0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -14.224 7.984 -1.985 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.977 7.269 -0.404 1.00 0.00 H new ATOM 309 N ARG A 22 -11.959 7.359 -2.633 1.00 0.00 N ATOM 310 CA ARG A 22 -10.730 7.117 -3.379 1.00 0.00 C ATOM 311 C ARG A 22 -9.560 7.031 -2.411 1.00 0.00 C ATOM 312 O ARG A 22 -9.106 8.070 -1.931 1.00 0.00 O ATOM 313 CB ARG A 22 -10.572 8.274 -4.380 1.00 0.00 C ATOM 314 CG ARG A 22 -9.415 8.133 -5.379 1.00 0.00 C ATOM 315 CD ARG A 22 -8.159 8.906 -4.949 1.00 0.00 C ATOM 316 NE ARG A 22 -7.123 8.869 -5.992 1.00 0.00 N ATOM 317 CZ ARG A 22 -5.820 9.106 -5.794 1.00 0.00 C ATOM 318 NH1 ARG A 22 -5.363 9.619 -4.655 1.00 0.00 N ATOM 319 NH2 ARG A 22 -4.920 8.800 -6.722 1.00 0.00 N ATOM 0 H ARG A 22 -12.247 8.335 -2.702 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.762 6.173 -3.924 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -11.502 8.376 -4.940 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.434 9.199 -3.820 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -9.166 7.078 -5.492 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -9.739 8.491 -6.356 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.423 9.941 -4.733 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -7.765 8.479 -4.027 1.00 0.00 H new ATOM 0 HE ARG A 22 -7.421 8.645 -6.942 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.012 9.844 -3.900 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.364 9.787 -4.536 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.218 8.378 -7.602 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -3.931 8.987 -6.555 1.00 0.00 H new ATOM 333 N ILE A 23 -9.067 5.823 -2.118 1.00 0.00 N ATOM 334 CA ILE A 23 -8.057 5.631 -1.087 1.00 0.00 C ATOM 335 C ILE A 23 -6.796 5.046 -1.738 1.00 0.00 C ATOM 336 O ILE A 23 -6.608 3.835 -1.835 1.00 0.00 O ATOM 337 CB ILE A 23 -8.632 4.809 0.090 1.00 0.00 C ATOM 338 CG1 ILE A 23 -9.848 5.509 0.746 1.00 0.00 C ATOM 339 CG2 ILE A 23 -7.557 4.593 1.165 1.00 0.00 C ATOM 340 CD1 ILE A 23 -10.735 4.534 1.509 1.00 0.00 C ATOM 0 H ILE A 23 -9.356 4.964 -2.586 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.761 6.578 -0.637 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.957 3.853 -0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.495 6.284 1.426 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.437 6.006 -0.025 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.976 4.013 1.987 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.714 4.054 0.733 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.217 5.559 1.539 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.573 5.073 1.950 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.112 3.774 0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.155 4.056 2.299 1.00 0.00 H new ATOM 352 N GLU A 24 -5.924 5.942 -2.198 1.00 0.00 N ATOM 353 CA GLU A 24 -4.580 5.649 -2.671 1.00 0.00 C ATOM 354 C GLU A 24 -3.732 5.178 -1.491 1.00 0.00 C ATOM 355 O GLU A 24 -3.274 5.999 -0.696 1.00 0.00 O ATOM 356 CB GLU A 24 -4.028 6.906 -3.349 1.00 0.00 C ATOM 357 CG GLU A 24 -2.622 6.739 -3.938 1.00 0.00 C ATOM 358 CD GLU A 24 -2.061 8.064 -4.471 1.00 0.00 C ATOM 359 OE1 GLU A 24 -2.834 8.847 -5.077 1.00 0.00 O ATOM 360 OE2 GLU A 24 -0.842 8.281 -4.294 1.00 0.00 O ATOM 0 H GLU A 24 -6.149 6.935 -2.252 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.571 4.846 -3.408 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.710 7.204 -4.145 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -4.011 7.719 -2.623 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.953 6.344 -3.173 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -2.652 6.007 -4.745 1.00 0.00 H new ATOM 367 N LEU A 25 -3.546 3.861 -1.350 1.00 0.00 N ATOM 368 CA LEU A 25 -2.625 3.312 -0.387 1.00 0.00 C ATOM 369 C LEU A 25 -1.233 3.324 -0.996 1.00 0.00 C ATOM 370 O LEU A 25 -1.051 3.304 -2.215 1.00 0.00 O ATOM 371 CB LEU A 25 -2.928 1.835 -0.053 1.00 0.00 C ATOM 372 CG LEU A 25 -4.390 1.470 0.233 1.00 0.00 C ATOM 373 CD1 LEU A 25 -4.484 -0.046 0.440 1.00 0.00 C ATOM 374 CD2 LEU A 25 -4.885 2.182 1.496 1.00 0.00 C ATOM 0 H LEU A 25 -4.035 3.159 -1.905 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.711 3.914 0.518 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -2.583 1.222 -0.886 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.333 1.556 0.817 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.009 1.782 -0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.518 -0.322 0.645 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.143 -0.558 -0.460 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.857 -0.338 1.283 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.924 1.911 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.273 1.882 2.347 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.811 3.261 1.358 1.00 0.00 H new ATOM 386 N THR A 26 -0.259 3.207 -0.110 1.00 0.00 N ATOM 387 CA THR A 26 1.072 2.741 -0.434 1.00 0.00 C ATOM 388 C THR A 26 1.435 1.773 0.678 1.00 0.00 C ATOM 389 O THR A 26 1.251 2.081 1.855 1.00 0.00 O ATOM 390 CB THR A 26 2.096 3.849 -0.741 1.00 0.00 C ATOM 391 OG1 THR A 26 3.285 3.294 -1.263 1.00 0.00 O ATOM 392 CG2 THR A 26 2.547 4.704 0.433 1.00 0.00 C ATOM 0 H THR A 26 -0.378 3.439 0.876 1.00 0.00 H new ATOM 0 HA THR A 26 1.092 2.228 -1.395 1.00 0.00 H new ATOM 0 HB THR A 26 1.549 4.485 -1.437 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.163 2.332 -1.402 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.267 5.446 0.087 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.685 5.210 0.867 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.014 4.070 1.187 1.00 0.00 H new ATOM 400 N VAL A 27 1.817 0.564 0.275 1.00 0.00 N ATOM 401 CA VAL A 27 2.070 -0.562 1.152 1.00 0.00 C ATOM 402 C VAL A 27 3.239 -1.324 0.549 1.00 0.00 C ATOM 403 O VAL A 27 3.372 -1.430 -0.675 1.00 0.00 O ATOM 404 CB VAL A 27 0.821 -1.461 1.321 1.00 0.00 C ATOM 405 CG1 VAL A 27 -0.254 -0.781 2.181 1.00 0.00 C ATOM 406 CG2 VAL A 27 0.177 -1.901 -0.006 1.00 0.00 C ATOM 0 H VAL A 27 1.963 0.339 -0.709 1.00 0.00 H new ATOM 0 HA VAL A 27 2.309 -0.218 2.158 1.00 0.00 H new ATOM 0 HB VAL A 27 1.198 -2.354 1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.115 -1.442 2.277 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.152 -0.568 3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.563 0.151 1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.691 -2.527 0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.136 -1.021 -0.568 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.901 -2.467 -0.592 1.00 0.00 H new ATOM 416 N GLU A 28 4.104 -1.822 1.421 1.00 0.00 N ATOM 417 CA GLU A 28 5.357 -2.442 1.067 1.00 0.00 C ATOM 418 C GLU A 28 5.231 -3.932 1.329 1.00 0.00 C ATOM 419 O GLU A 28 5.061 -4.358 2.472 1.00 0.00 O ATOM 420 CB GLU A 28 6.544 -1.796 1.788 1.00 0.00 C ATOM 421 CG GLU A 28 6.399 -0.300 2.099 1.00 0.00 C ATOM 422 CD GLU A 28 5.776 -0.031 3.475 1.00 0.00 C ATOM 423 OE1 GLU A 28 4.569 -0.333 3.629 1.00 0.00 O ATOM 424 OE2 GLU A 28 6.513 0.482 4.345 1.00 0.00 O ATOM 0 H GLU A 28 3.940 -1.801 2.427 1.00 0.00 H new ATOM 0 HA GLU A 28 5.568 -2.287 0.009 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.710 -2.329 2.724 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.436 -1.937 1.178 1.00 0.00 H new ATOM 0 HG2 GLU A 28 7.380 0.172 2.052 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.784 0.167 1.330 1.00 0.00 H new ATOM 431 N SER A 29 5.262 -4.719 0.257 1.00 0.00 N ATOM 432 CA SER A 29 5.318 -6.164 0.378 1.00 0.00 C ATOM 433 C SER A 29 6.078 -6.734 -0.795 1.00 0.00 C ATOM 434 O SER A 29 5.990 -6.235 -1.917 1.00 0.00 O ATOM 435 CB SER A 29 3.907 -6.762 0.422 1.00 0.00 C ATOM 436 OG SER A 29 3.922 -8.176 0.347 1.00 0.00 O ATOM 0 H SER A 29 5.249 -4.376 -0.703 1.00 0.00 H new ATOM 0 HA SER A 29 5.827 -6.419 1.308 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.412 -6.454 1.343 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.319 -6.362 -0.404 1.00 0.00 H new ATOM 0 HG SER A 29 4.170 -8.453 -0.560 1.00 0.00 H new ATOM 442 N SER A 30 6.677 -7.893 -0.528 1.00 0.00 N ATOM 443 CA SER A 30 7.160 -8.800 -1.545 1.00 0.00 C ATOM 444 C SER A 30 6.003 -9.099 -2.499 1.00 0.00 C ATOM 445 O SER A 30 4.853 -9.237 -2.054 1.00 0.00 O ATOM 446 CB SER A 30 7.653 -10.095 -0.889 1.00 0.00 C ATOM 447 OG SER A 30 8.638 -9.818 0.088 1.00 0.00 O ATOM 0 H SER A 30 6.839 -8.226 0.422 1.00 0.00 H new ATOM 0 HA SER A 30 7.990 -8.354 -2.093 1.00 0.00 H new ATOM 0 HB2 SER A 30 6.814 -10.617 -0.429 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.064 -10.760 -1.649 1.00 0.00 H new ATOM 0 HG SER A 30 8.939 -10.657 0.496 1.00 0.00 H new ATOM 453 N ALA A 31 6.329 -9.211 -3.792 1.00 0.00 N ATOM 454 CA ALA A 31 5.386 -9.327 -4.894 1.00 0.00 C ATOM 455 C ALA A 31 4.309 -10.388 -4.672 1.00 0.00 C ATOM 456 O ALA A 31 3.180 -10.176 -5.098 1.00 0.00 O ATOM 457 CB ALA A 31 6.154 -9.639 -6.184 1.00 0.00 C ATOM 0 H ALA A 31 7.300 -9.223 -4.105 1.00 0.00 H new ATOM 0 HA ALA A 31 4.867 -8.371 -4.966 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.452 -9.727 -7.013 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.860 -8.835 -6.390 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.696 -10.577 -6.067 1.00 0.00 H new ATOM 463 N GLU A 32 4.646 -11.506 -4.021 1.00 0.00 N ATOM 464 CA GLU A 32 3.762 -12.642 -3.788 1.00 0.00 C ATOM 465 C GLU A 32 2.568 -12.221 -2.931 1.00 0.00 C ATOM 466 O GLU A 32 1.431 -12.255 -3.402 1.00 0.00 O ATOM 467 CB GLU A 32 4.556 -13.782 -3.131 1.00 0.00 C ATOM 468 CG GLU A 32 5.645 -14.338 -4.062 1.00 0.00 C ATOM 469 CD GLU A 32 6.547 -15.326 -3.322 1.00 0.00 C ATOM 470 OE1 GLU A 32 7.441 -14.834 -2.597 1.00 0.00 O ATOM 471 OE2 GLU A 32 6.331 -16.546 -3.491 1.00 0.00 O ATOM 0 H GLU A 32 5.577 -11.645 -3.629 1.00 0.00 H new ATOM 0 HA GLU A 32 3.369 -13.001 -4.739 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.016 -13.420 -2.211 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.874 -14.585 -2.852 1.00 0.00 H new ATOM 0 HG2 GLU A 32 5.181 -14.833 -4.915 1.00 0.00 H new ATOM 0 HG3 GLU A 32 6.245 -13.518 -4.456 1.00 0.00 H new ATOM 478 N ASP A 33 2.813 -11.778 -1.691 1.00 0.00 N ATOM 479 CA ASP A 33 1.728 -11.362 -0.809 1.00 0.00 C ATOM 480 C ASP A 33 1.113 -10.041 -1.280 1.00 0.00 C ATOM 481 O ASP A 33 -0.067 -9.782 -1.051 1.00 0.00 O ATOM 482 CB ASP A 33 2.205 -11.257 0.642 1.00 0.00 C ATOM 483 CG ASP A 33 1.014 -11.030 1.580 1.00 0.00 C ATOM 484 OD1 ASP A 33 0.149 -11.933 1.631 1.00 0.00 O ATOM 485 OD2 ASP A 33 0.984 -9.965 2.235 1.00 0.00 O ATOM 0 H ASP A 33 3.745 -11.701 -1.284 1.00 0.00 H new ATOM 0 HA ASP A 33 0.953 -12.128 -0.851 1.00 0.00 H new ATOM 0 HB2 ASP A 33 2.731 -12.169 0.926 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.915 -10.436 0.740 1.00 0.00 H new ATOM 490 N LEU A 34 1.872 -9.236 -2.037 1.00 0.00 N ATOM 491 CA LEU A 34 1.338 -8.026 -2.642 1.00 0.00 C ATOM 492 C LEU A 34 0.284 -8.420 -3.676 1.00 0.00 C ATOM 493 O LEU A 34 -0.758 -7.775 -3.784 1.00 0.00 O ATOM 494 CB LEU A 34 2.448 -7.190 -3.293 1.00 0.00 C ATOM 495 CG LEU A 34 1.952 -5.763 -3.606 1.00 0.00 C ATOM 496 CD1 LEU A 34 2.172 -4.825 -2.412 1.00 0.00 C ATOM 497 CD2 LEU A 34 2.681 -5.217 -4.834 1.00 0.00 C ATOM 0 H LEU A 34 2.857 -9.408 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 34 0.884 -7.409 -1.867 1.00 0.00 H new ATOM 0 HB2 LEU A 34 3.310 -7.142 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.781 -7.673 -4.212 1.00 0.00 H new ATOM 0 HG LEU A 34 0.882 -5.813 -3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.813 -3.827 -2.662 1.00 0.00 H new ATOM 0 HD12 LEU A 34 1.625 -5.201 -1.548 1.00 0.00 H new ATOM 0 HD13 LEU A 34 3.235 -4.779 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.326 -4.209 -5.050 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.753 -5.190 -4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.484 -5.862 -5.690 1.00 0.00 H new ATOM 509 N ARG A 35 0.545 -9.476 -4.452 1.00 0.00 N ATOM 510 CA ARG A 35 -0.420 -10.079 -5.357 1.00 0.00 C ATOM 511 C ARG A 35 -1.628 -10.565 -4.568 1.00 0.00 C ATOM 512 O ARG A 35 -2.745 -10.211 -4.930 1.00 0.00 O ATOM 513 CB ARG A 35 0.249 -11.214 -6.156 1.00 0.00 C ATOM 514 CG ARG A 35 0.428 -10.903 -7.648 1.00 0.00 C ATOM 515 CD ARG A 35 1.297 -9.660 -7.912 1.00 0.00 C ATOM 516 NE ARG A 35 0.534 -8.592 -8.585 1.00 0.00 N ATOM 517 CZ ARG A 35 0.327 -8.453 -9.903 1.00 0.00 C ATOM 518 NH1 ARG A 35 0.882 -9.292 -10.779 1.00 0.00 N ATOM 519 NH2 ARG A 35 -0.453 -7.467 -10.338 1.00 0.00 N ATOM 0 H ARG A 35 1.453 -9.940 -4.464 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.772 -9.339 -6.076 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.225 -11.426 -5.720 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.349 -12.119 -6.053 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.880 -11.764 -8.140 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -0.552 -10.755 -8.101 1.00 0.00 H new ATOM 0 HD2 ARG A 35 1.692 -9.285 -6.968 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.153 -9.939 -8.527 1.00 0.00 H new ATOM 0 HE ARG A 35 0.118 -7.882 -7.982 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.475 -10.054 -10.450 1.00 0.00 H new ATOM 0 HH12 ARG A 35 0.714 -9.171 -11.778 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -0.886 -6.827 -9.672 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -0.618 -7.351 -11.338 1.00 0.00 H new ATOM 533 N THR A 36 -1.432 -11.315 -3.484 1.00 0.00 N ATOM 534 CA THR A 36 -2.540 -11.791 -2.668 1.00 0.00 C ATOM 535 C THR A 36 -3.399 -10.627 -2.164 1.00 0.00 C ATOM 536 O THR A 36 -4.616 -10.649 -2.350 1.00 0.00 O ATOM 537 CB THR A 36 -1.992 -12.629 -1.503 1.00 0.00 C ATOM 538 OG1 THR A 36 -1.096 -13.605 -1.997 1.00 0.00 O ATOM 539 CG2 THR A 36 -3.093 -13.338 -0.709 1.00 0.00 C ATOM 0 H THR A 36 -0.512 -11.605 -3.153 1.00 0.00 H new ATOM 0 HA THR A 36 -3.187 -12.420 -3.280 1.00 0.00 H new ATOM 0 HB THR A 36 -1.487 -11.935 -0.830 1.00 0.00 H new ATOM 0 HG1 THR A 36 -0.747 -14.136 -1.251 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.644 -13.914 0.100 1.00 0.00 H new ATOM 0 HG22 THR A 36 -3.776 -12.597 -0.292 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.644 -14.008 -1.369 1.00 0.00 H new ATOM 547 N LEU A 37 -2.801 -9.599 -1.549 1.00 0.00 N ATOM 548 CA LEU A 37 -3.581 -8.582 -0.862 1.00 0.00 C ATOM 549 C LEU A 37 -4.241 -7.665 -1.881 1.00 0.00 C ATOM 550 O LEU A 37 -5.376 -7.232 -1.666 1.00 0.00 O ATOM 551 CB LEU A 37 -2.743 -7.851 0.206 1.00 0.00 C ATOM 552 CG LEU A 37 -1.638 -6.893 -0.294 1.00 0.00 C ATOM 553 CD1 LEU A 37 -2.146 -5.457 -0.498 1.00 0.00 C ATOM 554 CD2 LEU A 37 -0.482 -6.837 0.714 1.00 0.00 C ATOM 0 H LEU A 37 -1.791 -9.457 -1.517 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.388 -9.053 -0.301 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.424 -7.280 0.837 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.275 -8.603 0.841 1.00 0.00 H new ATOM 0 HG LEU A 37 -1.307 -7.290 -1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.328 -4.828 -0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.948 -5.456 -1.237 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.523 -5.067 0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.288 -6.158 0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.854 -6.479 1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.058 -7.834 0.837 1.00 0.00 H new ATOM 566 N GLN A 38 -3.582 -7.425 -3.025 1.00 0.00 N ATOM 567 CA GLN A 38 -4.192 -6.616 -4.056 1.00 0.00 C ATOM 568 C GLN A 38 -5.358 -7.396 -4.659 1.00 0.00 C ATOM 569 O GLN A 38 -6.397 -6.807 -4.924 1.00 0.00 O ATOM 570 CB GLN A 38 -3.143 -6.120 -5.056 1.00 0.00 C ATOM 571 CG GLN A 38 -2.800 -7.043 -6.235 1.00 0.00 C ATOM 572 CD GLN A 38 -1.547 -6.578 -6.971 1.00 0.00 C ATOM 573 OE1 GLN A 38 -1.554 -6.298 -8.165 1.00 0.00 O ATOM 574 NE2 GLN A 38 -0.408 -6.569 -6.293 1.00 0.00 N ATOM 0 H GLN A 38 -2.650 -7.776 -3.244 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.614 -5.699 -3.645 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.487 -5.169 -5.462 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.223 -5.918 -4.507 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.651 -8.059 -5.870 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -3.640 -7.073 -6.929 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -0.404 -6.802 -5.300 1.00 0.00 H new ATOM 0 HE22 GLN A 38 0.464 -6.329 -6.764 1.00 0.00 H new ATOM 583 N GLN A 39 -5.232 -8.722 -4.802 1.00 0.00 N ATOM 584 CA GLN A 39 -6.287 -9.573 -5.330 1.00 0.00 C ATOM 585 C GLN A 39 -7.486 -9.598 -4.394 1.00 0.00 C ATOM 586 O GLN A 39 -8.616 -9.531 -4.869 1.00 0.00 O ATOM 587 CB GLN A 39 -5.755 -10.968 -5.613 1.00 0.00 C ATOM 588 CG GLN A 39 -5.028 -10.801 -6.947 1.00 0.00 C ATOM 589 CD GLN A 39 -4.071 -11.910 -7.273 1.00 0.00 C ATOM 590 OE1 GLN A 39 -4.163 -13.046 -6.824 1.00 0.00 O ATOM 591 NE2 GLN A 39 -3.113 -11.556 -8.102 1.00 0.00 N ATOM 0 H GLN A 39 -4.385 -9.231 -4.550 1.00 0.00 H new ATOM 0 HA GLN A 39 -6.630 -9.155 -6.277 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.081 -11.309 -4.827 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -6.560 -11.700 -5.682 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.768 -10.730 -7.744 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.482 -9.858 -6.934 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -3.071 -10.600 -8.454 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.412 -12.238 -8.393 1.00 0.00 H new ATOM 600 N LEU A 40 -7.257 -9.636 -3.075 1.00 0.00 N ATOM 601 CA LEU A 40 -8.334 -9.502 -2.102 1.00 0.00 C ATOM 602 C LEU A 40 -9.069 -8.176 -2.294 1.00 0.00 C ATOM 603 O LEU A 40 -10.300 -8.200 -2.385 1.00 0.00 O ATOM 604 CB LEU A 40 -7.815 -9.647 -0.662 1.00 0.00 C ATOM 605 CG LEU A 40 -7.336 -11.064 -0.291 1.00 0.00 C ATOM 606 CD1 LEU A 40 -6.779 -11.050 1.137 1.00 0.00 C ATOM 607 CD2 LEU A 40 -8.457 -12.107 -0.394 1.00 0.00 C ATOM 0 H LEU A 40 -6.332 -9.759 -2.663 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.042 -10.313 -2.273 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.991 -8.949 -0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.607 -9.354 0.027 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.562 -11.348 -1.003 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.439 -12.050 1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.942 -10.354 1.194 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.560 -10.735 1.829 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.067 -13.088 -0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.267 -11.838 0.283 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.834 -12.137 -1.416 1.00 0.00 H new ATOM 619 N PHE A 41 -8.341 -7.049 -2.380 1.00 0.00 N ATOM 620 CA PHE A 41 -8.952 -5.733 -2.594 1.00 0.00 C ATOM 621 C PHE A 41 -9.600 -5.598 -3.980 1.00 0.00 C ATOM 622 O PHE A 41 -10.559 -4.844 -4.127 1.00 0.00 O ATOM 623 CB PHE A 41 -7.933 -4.603 -2.368 1.00 0.00 C ATOM 624 CG PHE A 41 -7.571 -4.335 -0.914 1.00 0.00 C ATOM 625 CD1 PHE A 41 -8.560 -3.919 0.001 1.00 0.00 C ATOM 626 CD2 PHE A 41 -6.236 -4.447 -0.479 1.00 0.00 C ATOM 627 CE1 PHE A 41 -8.223 -3.670 1.343 1.00 0.00 C ATOM 628 CE2 PHE A 41 -5.900 -4.200 0.863 1.00 0.00 C ATOM 629 CZ PHE A 41 -6.896 -3.824 1.779 1.00 0.00 C ATOM 0 H PHE A 41 -7.324 -7.028 -2.304 1.00 0.00 H new ATOM 0 HA PHE A 41 -9.748 -5.642 -1.855 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -7.021 -4.844 -2.914 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -8.331 -3.685 -2.801 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -9.580 -3.791 -0.330 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.465 -4.725 -1.182 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -8.986 -3.359 2.041 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.876 -4.299 1.190 1.00 0.00 H new ATOM 0 HZ PHE A 41 -6.643 -3.654 2.815 1.00 0.00 H new ATOM 639 N LEU A 42 -9.106 -6.316 -4.995 1.00 0.00 N ATOM 640 CA LEU A 42 -9.731 -6.374 -6.315 1.00 0.00 C ATOM 641 C LEU A 42 -11.014 -7.212 -6.282 1.00 0.00 C ATOM 642 O LEU A 42 -11.950 -6.918 -7.020 1.00 0.00 O ATOM 643 CB LEU A 42 -8.748 -6.961 -7.349 1.00 0.00 C ATOM 644 CG LEU A 42 -8.023 -5.937 -8.244 1.00 0.00 C ATOM 645 CD1 LEU A 42 -8.998 -5.128 -9.109 1.00 0.00 C ATOM 646 CD2 LEU A 42 -7.085 -4.993 -7.481 1.00 0.00 C ATOM 0 H LEU A 42 -8.256 -6.875 -4.920 1.00 0.00 H new ATOM 0 HA LEU A 42 -9.992 -5.357 -6.607 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.997 -7.546 -6.817 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.295 -7.652 -7.990 1.00 0.00 H new ATOM 0 HG LEU A 42 -7.395 -6.544 -8.897 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.440 -4.420 -9.722 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -9.558 -5.804 -9.755 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.690 -4.584 -8.466 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.614 -4.304 -8.182 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.657 -4.428 -6.745 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.317 -5.576 -6.973 1.00 0.00 H new ATOM 658 N SER A 43 -11.032 -8.276 -5.474 1.00 0.00 N ATOM 659 CA SER A 43 -12.095 -9.261 -5.413 1.00 0.00 C ATOM 660 C SER A 43 -13.273 -8.768 -4.577 1.00 0.00 C ATOM 661 O SER A 43 -14.360 -8.542 -5.102 1.00 0.00 O ATOM 662 CB SER A 43 -11.515 -10.566 -4.838 1.00 0.00 C ATOM 663 OG SER A 43 -12.516 -11.531 -4.566 1.00 0.00 O ATOM 0 H SER A 43 -10.273 -8.475 -4.822 1.00 0.00 H new ATOM 0 HA SER A 43 -12.481 -9.437 -6.417 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.796 -10.982 -5.544 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.970 -10.344 -3.921 1.00 0.00 H new ATOM 0 HG SER A 43 -12.100 -12.341 -4.205 1.00 0.00 H new ATOM 669 N THR A 44 -13.066 -8.711 -3.257 1.00 0.00 N ATOM 670 CA THR A 44 -14.124 -8.709 -2.267 1.00 0.00 C ATOM 671 C THR A 44 -13.780 -7.889 -1.017 1.00 0.00 C ATOM 672 O THR A 44 -14.683 -7.338 -0.385 1.00 0.00 O ATOM 673 CB THR A 44 -14.463 -10.173 -1.896 1.00 0.00 C ATOM 674 OG1 THR A 44 -14.691 -10.989 -3.033 1.00 0.00 O ATOM 675 CG2 THR A 44 -15.722 -10.295 -1.029 1.00 0.00 C ATOM 0 H THR A 44 -12.133 -8.664 -2.848 1.00 0.00 H new ATOM 0 HA THR A 44 -14.994 -8.221 -2.706 1.00 0.00 H new ATOM 0 HB THR A 44 -13.583 -10.508 -1.347 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.840 -11.161 -3.488 1.00 0.00 H new ATOM 0 HG21 THR A 44 -15.907 -11.345 -0.802 1.00 0.00 H new ATOM 0 HG22 THR A 44 -15.579 -9.743 -0.100 1.00 0.00 H new ATOM 0 HG23 THR A 44 -16.576 -9.884 -1.568 1.00 0.00 H new ATOM 683 N LEU A 45 -12.499 -7.792 -0.639 1.00 0.00 N ATOM 684 CA LEU A 45 -12.082 -6.921 0.450 1.00 0.00 C ATOM 685 C LEU A 45 -12.183 -5.475 -0.043 1.00 0.00 C ATOM 686 O LEU A 45 -12.042 -5.205 -1.234 1.00 0.00 O ATOM 687 CB LEU A 45 -10.651 -7.300 0.874 1.00 0.00 C ATOM 688 CG LEU A 45 -10.128 -6.610 2.147 1.00 0.00 C ATOM 689 CD1 LEU A 45 -10.938 -6.986 3.395 1.00 0.00 C ATOM 690 CD2 LEU A 45 -8.660 -7.001 2.360 1.00 0.00 C ATOM 0 H LEU A 45 -11.737 -8.310 -1.077 1.00 0.00 H new ATOM 0 HA LEU A 45 -12.719 -7.031 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.610 -8.379 1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.974 -7.067 0.052 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.229 -5.534 2.005 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -10.527 -6.472 4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.978 -6.690 3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.885 -8.063 3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.281 -6.516 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.584 -8.083 2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.070 -6.682 1.501 1.00 0.00 H new ATOM 702 N SER A 46 -12.396 -4.526 0.865 1.00 0.00 N ATOM 703 CA SER A 46 -12.424 -3.110 0.564 1.00 0.00 C ATOM 704 C SER A 46 -11.768 -2.348 1.707 1.00 0.00 C ATOM 705 O SER A 46 -11.421 -2.938 2.733 1.00 0.00 O ATOM 706 CB SER A 46 -13.868 -2.682 0.334 1.00 0.00 C ATOM 707 OG SER A 46 -14.699 -3.029 1.426 1.00 0.00 O ATOM 0 H SER A 46 -12.557 -4.732 1.851 1.00 0.00 H new ATOM 0 HA SER A 46 -11.864 -2.889 -0.345 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.907 -1.604 0.176 1.00 0.00 H new ATOM 0 HB3 SER A 46 -14.246 -3.151 -0.574 1.00 0.00 H new ATOM 0 HG SER A 46 -15.518 -3.452 1.093 1.00 0.00 H new ATOM 713 N PHE A 47 -11.594 -1.039 1.528 1.00 0.00 N ATOM 714 CA PHE A 47 -10.841 -0.210 2.452 1.00 0.00 C ATOM 715 C PHE A 47 -11.793 0.821 3.031 1.00 0.00 C ATOM 716 O PHE A 47 -11.812 1.979 2.621 1.00 0.00 O ATOM 717 CB PHE A 47 -9.621 0.388 1.746 1.00 0.00 C ATOM 718 CG PHE A 47 -8.456 0.600 2.690 1.00 0.00 C ATOM 719 CD1 PHE A 47 -8.470 1.672 3.598 1.00 0.00 C ATOM 720 CD2 PHE A 47 -7.387 -0.316 2.707 1.00 0.00 C ATOM 721 CE1 PHE A 47 -7.415 1.838 4.513 1.00 0.00 C ATOM 722 CE2 PHE A 47 -6.336 -0.157 3.627 1.00 0.00 C ATOM 723 CZ PHE A 47 -6.349 0.922 4.529 1.00 0.00 C ATOM 0 H PHE A 47 -11.975 -0.527 0.733 1.00 0.00 H new ATOM 0 HA PHE A 47 -10.436 -0.788 3.283 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -9.313 -0.273 0.936 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.897 1.340 1.293 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.293 2.371 3.593 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.374 -1.142 2.012 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.424 2.669 5.203 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -5.519 -0.863 3.641 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.540 1.047 5.234 1.00 0.00 H new ATOM 733 N VAL A 48 -12.655 0.382 3.946 1.00 0.00 N ATOM 734 CA VAL A 48 -13.628 1.264 4.552 1.00 0.00 C ATOM 735 C VAL A 48 -12.890 2.324 5.376 1.00 0.00 C ATOM 736 O VAL A 48 -12.259 2.015 6.387 1.00 0.00 O ATOM 737 CB VAL A 48 -14.721 0.470 5.302 1.00 0.00 C ATOM 738 CG1 VAL A 48 -14.195 -0.556 6.318 1.00 0.00 C ATOM 739 CG2 VAL A 48 -15.725 1.404 5.993 1.00 0.00 C ATOM 0 H VAL A 48 -12.693 -0.581 4.279 1.00 0.00 H new ATOM 0 HA VAL A 48 -14.190 1.807 3.792 1.00 0.00 H new ATOM 0 HB VAL A 48 -15.218 -0.100 4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -15.036 -1.062 6.793 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -13.572 -1.289 5.805 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -13.603 -0.045 7.078 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -16.478 0.810 6.510 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -15.201 2.032 6.713 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -16.209 2.034 5.247 1.00 0.00 H new ATOM 749 N CYS A 49 -12.922 3.569 4.893 1.00 0.00 N ATOM 750 CA CYS A 49 -12.237 4.687 5.530 1.00 0.00 C ATOM 751 C CYS A 49 -12.714 4.870 6.983 1.00 0.00 C ATOM 752 O CYS A 49 -13.885 4.612 7.280 1.00 0.00 O ATOM 753 CB CYS A 49 -12.445 5.966 4.706 1.00 0.00 C ATOM 754 SG CYS A 49 -14.154 6.347 4.230 1.00 0.00 S ATOM 0 H CYS A 49 -13.427 3.826 4.045 1.00 0.00 H new ATOM 0 HA CYS A 49 -11.169 4.471 5.565 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -12.053 6.808 5.277 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -11.846 5.889 3.798 1.00 0.00 H new ATOM 0 HG CYS A 49 -14.773 5.247 3.919 1.00 0.00 H new ATOM 759 N PRO A 50 -11.856 5.382 7.890 1.00 0.00 N ATOM 760 CA PRO A 50 -12.192 5.501 9.306 1.00 0.00 C ATOM 761 C PRO A 50 -13.354 6.470 9.557 1.00 0.00 C ATOM 762 O PRO A 50 -14.070 6.316 10.546 1.00 0.00 O ATOM 763 CB PRO A 50 -10.905 5.937 10.014 1.00 0.00 C ATOM 764 CG PRO A 50 -10.088 6.600 8.907 1.00 0.00 C ATOM 765 CD PRO A 50 -10.481 5.801 7.665 1.00 0.00 C ATOM 0 HA PRO A 50 -12.548 4.549 9.698 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -11.112 6.631 10.829 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -10.378 5.086 10.446 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -10.334 7.657 8.802 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.018 6.540 9.104 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.399 6.410 6.765 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.826 4.940 7.529 1.00 0.00 H new ATOM 773 N TRP A 51 -13.595 7.417 8.643 1.00 0.00 N ATOM 774 CA TRP A 51 -14.798 8.235 8.621 1.00 0.00 C ATOM 775 C TRP A 51 -16.048 7.354 8.543 1.00 0.00 C ATOM 776 O TRP A 51 -16.919 7.444 9.409 1.00 0.00 O ATOM 777 CB TRP A 51 -14.719 9.238 7.467 1.00 0.00 C ATOM 778 CG TRP A 51 -15.884 10.167 7.455 1.00 0.00 C ATOM 779 CD1 TRP A 51 -16.883 10.159 6.547 1.00 0.00 C ATOM 780 CD2 TRP A 51 -16.260 11.154 8.464 1.00 0.00 C ATOM 781 NE1 TRP A 51 -17.847 11.066 6.927 1.00 0.00 N ATOM 782 CE2 TRP A 51 -17.523 11.704 8.104 1.00 0.00 C ATOM 783 CE3 TRP A 51 -15.691 11.594 9.679 1.00 0.00 C ATOM 784 CZ2 TRP A 51 -18.197 12.632 8.914 1.00 0.00 C ATOM 785 CZ3 TRP A 51 -16.354 12.528 10.497 1.00 0.00 C ATOM 786 CH2 TRP A 51 -17.605 13.045 10.119 1.00 0.00 C ATOM 0 H TRP A 51 -12.944 7.635 7.888 1.00 0.00 H new ATOM 0 HA TRP A 51 -14.871 8.802 9.549 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -13.797 9.814 7.549 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -14.675 8.699 6.521 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -16.920 9.540 5.663 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -18.701 11.244 6.399 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -14.730 11.207 9.986 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -19.158 13.023 8.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -15.898 12.850 11.422 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -18.110 13.758 10.754 1.00 0.00 H new ATOM 797 N CYS A 52 -16.128 6.480 7.537 1.00 0.00 N ATOM 798 CA CYS A 52 -17.233 5.548 7.360 1.00 0.00 C ATOM 799 C CYS A 52 -17.268 4.464 8.435 1.00 0.00 C ATOM 800 O CYS A 52 -18.353 4.001 8.774 1.00 0.00 O ATOM 801 CB CYS A 52 -17.127 4.912 5.978 1.00 0.00 C ATOM 802 SG CYS A 52 -17.579 6.013 4.617 1.00 0.00 S ATOM 0 H CYS A 52 -15.413 6.402 6.814 1.00 0.00 H new ATOM 0 HA CYS A 52 -18.162 6.110 7.453 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -16.104 4.567 5.827 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -17.768 4.031 5.946 1.00 0.00 H new ATOM 0 HG CYS A 52 -16.501 6.476 4.057 1.00 0.00 H new ATOM 807 N ALA A 53 -16.122 4.064 8.994 1.00 0.00 N ATOM 808 CA ALA A 53 -16.105 3.201 10.169 1.00 0.00 C ATOM 809 C ALA A 53 -16.765 3.898 11.369 1.00 0.00 C ATOM 810 O ALA A 53 -17.556 3.277 12.073 1.00 0.00 O ATOM 811 CB ALA A 53 -14.673 2.769 10.495 1.00 0.00 C ATOM 0 H ALA A 53 -15.198 4.326 8.650 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.685 2.305 9.948 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.678 2.125 11.375 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.256 2.223 9.649 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.063 3.650 10.694 1.00 0.00 H new ATOM 817 N THR A 54 -16.453 5.182 11.588 1.00 0.00 N ATOM 818 CA THR A 54 -16.941 5.974 12.718 1.00 0.00 C ATOM 819 C THR A 54 -18.427 6.313 12.558 1.00 0.00 C ATOM 820 O THR A 54 -19.189 6.185 13.513 1.00 0.00 O ATOM 821 CB THR A 54 -16.091 7.253 12.866 1.00 0.00 C ATOM 822 OG1 THR A 54 -14.717 6.929 12.924 1.00 0.00 O ATOM 823 CG2 THR A 54 -16.425 8.041 14.136 1.00 0.00 C ATOM 0 H THR A 54 -15.839 5.709 10.967 1.00 0.00 H new ATOM 0 HA THR A 54 -16.842 5.381 13.627 1.00 0.00 H new ATOM 0 HB THR A 54 -16.320 7.865 11.994 1.00 0.00 H new ATOM 0 HG1 THR A 54 -14.321 7.022 12.032 1.00 0.00 H new ATOM 0 HG21 THR A 54 -15.797 8.930 14.188 1.00 0.00 H new ATOM 0 HG22 THR A 54 -17.474 8.338 14.115 1.00 0.00 H new ATOM 0 HG23 THR A 54 -16.243 7.416 15.010 1.00 0.00 H new ATOM 831 N ASN A 55 -18.845 6.752 11.362 1.00 0.00 N ATOM 832 CA ASN A 55 -20.251 7.060 11.069 1.00 0.00 C ATOM 833 C ASN A 55 -21.080 5.781 10.954 1.00 0.00 C ATOM 834 O ASN A 55 -22.286 5.814 11.184 1.00 0.00 O ATOM 835 CB ASN A 55 -20.387 7.878 9.776 1.00 0.00 C ATOM 836 CG ASN A 55 -19.918 9.313 9.968 1.00 0.00 C ATOM 837 OD1 ASN A 55 -20.716 10.234 10.085 1.00 0.00 O ATOM 838 ND2 ASN A 55 -18.614 9.524 10.013 1.00 0.00 N ATOM 0 H ASN A 55 -18.218 6.903 10.572 1.00 0.00 H new ATOM 0 HA ASN A 55 -20.629 7.655 11.900 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -19.804 7.407 8.984 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -21.427 7.875 9.451 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -18.255 10.469 10.148 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -17.967 8.742 9.913 1.00 0.00 H new ATOM 845 N GLN A 56 -20.404 4.672 10.644 1.00 0.00 N ATOM 846 CA GLN A 56 -20.929 3.322 10.535 1.00 0.00 C ATOM 847 C GLN A 56 -21.989 3.240 9.432 1.00 0.00 C ATOM 848 O GLN A 56 -23.090 2.703 9.682 1.00 0.00 O ATOM 849 CB GLN A 56 -21.350 2.805 11.923 1.00 0.00 C ATOM 850 CG GLN A 56 -21.505 1.274 11.943 1.00 0.00 C ATOM 851 CD GLN A 56 -22.882 0.829 12.440 1.00 0.00 C ATOM 852 OE1 GLN A 56 -23.007 0.145 13.450 1.00 0.00 O ATOM 853 NE2 GLN A 56 -23.934 1.199 11.725 1.00 0.00 N ATOM 0 H GLN A 56 -19.403 4.704 10.450 1.00 0.00 H new ATOM 0 HA GLN A 56 -20.154 2.629 10.206 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -20.607 3.104 12.662 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -22.293 3.269 12.213 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -21.341 0.883 10.939 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -20.735 0.843 12.583 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -23.807 1.768 10.888 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -24.871 0.915 12.011 1.00 0.00 H new