USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 271 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 15 ASN : amide:sc= -8.49! C(o=-18!,f=-20!) USER MOD Set 1.2: A 16 HIS : no HE2:sc= -8.56! C(o=-18!,f=-20!) USER MOD Set 1.3: A 34 CYS SG : rot 178:sc= 0.667 USER MOD Set 1.4: A 36 CYS SG : rot -145:sc= 0.241 USER MOD Set 1.5: A 39 CYS SG : rot 153:sc= -1.46 USER MOD Set 2.1: A 10 CYS SG : rot 120:sc= 0.525 USER MOD Set 2.2: A 13 CYS SG : rot -72:sc= -5.41! USER MOD Set 2.3: A 25 HIS :FLIP no HD1:sc= -21.7! C(o=-35!,f=-33!) USER MOD Set 2.4: A 29 CYS SG : rot 114:sc= -6.51! USER MOD Set 3.1: A 9 ASN : amide:sc= -1.21 K(o=-1.2,f=-2.5!) USER MOD Set 3.2: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 97:sc= -0.521! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -136:sc=-0.00851 (180deg=-0.305) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 124 N ASN A 9 -19.540 7.583 -9.349 1.00 0.00 N ATOM 125 CA ASN A 9 -20.757 7.085 -10.055 1.00 0.00 C ATOM 126 C ASN A 9 -21.467 6.035 -9.197 1.00 0.00 C ATOM 127 O ASN A 9 -20.971 5.619 -8.169 1.00 0.00 O ATOM 128 CB ASN A 9 -20.236 6.475 -11.363 1.00 0.00 C ATOM 129 CG ASN A 9 -19.724 5.053 -11.115 1.00 0.00 C ATOM 130 OD1 ASN A 9 -20.467 4.099 -11.230 1.00 0.00 O ATOM 131 ND2 ASN A 9 -18.477 4.871 -10.779 1.00 0.00 N ATOM 0 HA ASN A 9 -21.484 7.874 -10.246 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -21.032 6.458 -12.108 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -19.434 7.093 -11.767 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -18.126 3.928 -10.613 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -17.853 5.672 -10.682 1.00 0.00 H new ATOM 138 N CYS A 10 -22.623 5.604 -9.614 1.00 0.00 N ATOM 139 CA CYS A 10 -23.362 4.582 -8.827 1.00 0.00 C ATOM 140 C CYS A 10 -22.842 3.186 -9.169 1.00 0.00 C ATOM 141 O CYS A 10 -22.463 2.914 -10.292 1.00 0.00 O ATOM 142 CB CYS A 10 -24.814 4.704 -9.274 1.00 0.00 C ATOM 143 SG CYS A 10 -25.771 3.350 -8.566 1.00 0.00 S ATOM 0 H CYS A 10 -23.088 5.916 -10.467 1.00 0.00 H new ATOM 0 HA CYS A 10 -23.244 4.732 -7.754 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -25.226 5.661 -8.955 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -24.875 4.678 -10.362 1.00 0.00 H new ATOM 0 HG CYS A 10 -26.717 3.833 -7.817 1.00 0.00 H new ATOM 148 N ALA A 11 -22.830 2.292 -8.223 1.00 0.00 N ATOM 149 CA ALA A 11 -22.342 0.920 -8.522 1.00 0.00 C ATOM 150 C ALA A 11 -23.496 0.036 -8.994 1.00 0.00 C ATOM 151 O ALA A 11 -23.373 -0.733 -9.912 1.00 0.00 O ATOM 152 CB ALA A 11 -21.779 0.389 -7.208 1.00 0.00 C ATOM 0 H ALA A 11 -23.135 2.450 -7.262 1.00 0.00 H new ATOM 0 HA ALA A 11 -21.592 0.924 -9.313 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -21.401 -0.622 -7.357 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -20.967 1.035 -6.873 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -22.566 0.375 -6.454 1.00 0.00 H new ATOM 158 N ARG A 12 -24.626 0.147 -8.387 1.00 0.00 N ATOM 159 CA ARG A 12 -25.769 -0.694 -8.815 1.00 0.00 C ATOM 160 C ARG A 12 -25.868 -0.696 -10.327 1.00 0.00 C ATOM 161 O ARG A 12 -26.015 -1.724 -10.957 1.00 0.00 O ATOM 162 CB ARG A 12 -26.964 0.004 -8.191 1.00 0.00 C ATOM 163 CG ARG A 12 -28.219 -0.825 -8.408 1.00 0.00 C ATOM 164 CD ARG A 12 -28.648 -1.467 -7.084 1.00 0.00 C ATOM 165 NE ARG A 12 -27.445 -2.195 -6.594 1.00 0.00 N ATOM 166 CZ ARG A 12 -27.584 -3.251 -5.837 1.00 0.00 C ATOM 167 NH1 ARG A 12 -28.540 -4.106 -6.077 1.00 0.00 N ATOM 168 NH2 ARG A 12 -26.765 -3.452 -4.842 1.00 0.00 N ATOM 0 H ARG A 12 -24.815 0.782 -7.612 1.00 0.00 H new ATOM 0 HA ARG A 12 -25.686 -1.738 -8.512 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -26.794 0.150 -7.124 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -27.090 0.993 -8.632 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -29.020 -0.195 -8.795 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -28.032 -1.597 -9.154 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -28.970 -0.712 -6.367 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -29.487 -2.147 -7.230 1.00 0.00 H new ATOM 0 HE ARG A 12 -26.513 -1.869 -6.849 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -29.180 -3.950 -6.856 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -28.648 -4.930 -5.486 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -26.016 -2.785 -4.655 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -26.873 -4.276 -4.251 1.00 0.00 H new ATOM 182 N CYS A 13 -25.780 0.448 -10.906 1.00 0.00 N ATOM 183 CA CYS A 13 -25.861 0.522 -12.393 1.00 0.00 C ATOM 184 C CYS A 13 -24.457 0.341 -13.024 1.00 0.00 C ATOM 185 O CYS A 13 -24.328 0.054 -14.201 1.00 0.00 O ATOM 186 CB CYS A 13 -26.471 1.900 -12.680 1.00 0.00 C ATOM 187 SG CYS A 13 -25.400 3.178 -12.080 1.00 0.00 S ATOM 0 H CYS A 13 -25.656 1.340 -10.428 1.00 0.00 H new ATOM 0 HA CYS A 13 -26.470 -0.270 -12.829 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -26.628 2.020 -13.752 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -27.448 1.980 -12.203 1.00 0.00 H new ATOM 0 HG CYS A 13 -25.434 3.198 -10.781 1.00 0.00 H new ATOM 192 N ARG A 14 -23.403 0.474 -12.250 1.00 0.00 N ATOM 193 CA ARG A 14 -22.024 0.283 -12.814 1.00 0.00 C ATOM 194 C ARG A 14 -21.809 -1.176 -13.221 1.00 0.00 C ATOM 195 O ARG A 14 -20.876 -1.514 -13.922 1.00 0.00 O ATOM 196 CB ARG A 14 -21.088 0.671 -11.652 1.00 0.00 C ATOM 197 CG ARG A 14 -20.250 -0.534 -11.139 1.00 0.00 C ATOM 198 CD ARG A 14 -21.086 -1.489 -10.282 1.00 0.00 C ATOM 199 NE ARG A 14 -20.174 -2.628 -9.984 1.00 0.00 N ATOM 200 CZ ARG A 14 -19.070 -2.424 -9.321 1.00 0.00 C ATOM 201 NH1 ARG A 14 -19.019 -1.489 -8.412 1.00 0.00 N ATOM 202 NH2 ARG A 14 -18.016 -3.155 -9.564 1.00 0.00 N ATOM 0 H ARG A 14 -23.437 0.705 -11.257 1.00 0.00 H new ATOM 0 HA ARG A 14 -21.847 0.879 -13.709 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -20.416 1.464 -11.980 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -21.681 1.074 -10.831 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -19.837 -1.077 -11.989 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -19.406 -0.167 -10.555 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -21.426 -1.005 -9.367 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -21.976 -1.823 -10.815 1.00 0.00 H new ATOM 0 HE ARG A 14 -20.413 -3.568 -10.299 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -19.842 -0.918 -8.221 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -18.156 -1.329 -7.893 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -18.055 -3.887 -10.273 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -17.153 -2.994 -9.045 1.00 0.00 H new ATOM 216 N ASN A 15 -22.639 -2.036 -12.734 1.00 0.00 N ATOM 217 CA ASN A 15 -22.486 -3.482 -13.013 1.00 0.00 C ATOM 218 C ASN A 15 -22.829 -3.796 -14.458 1.00 0.00 C ATOM 219 O ASN A 15 -22.259 -4.671 -15.078 1.00 0.00 O ATOM 220 CB ASN A 15 -23.487 -4.110 -12.063 1.00 0.00 C ATOM 221 CG ASN A 15 -22.938 -3.948 -10.659 1.00 0.00 C ATOM 222 OD1 ASN A 15 -21.950 -4.553 -10.295 1.00 0.00 O ATOM 223 ND2 ASN A 15 -23.552 -3.141 -9.851 1.00 0.00 N ATOM 0 H ASN A 15 -23.434 -1.797 -12.142 1.00 0.00 H new ATOM 0 HA ASN A 15 -21.469 -3.848 -12.872 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -24.459 -3.626 -12.154 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -23.633 -5.164 -12.300 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -23.206 -3.010 -8.901 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -24.381 -2.637 -10.166 1.00 0.00 H new ATOM 230 N HIS A 16 -23.769 -3.090 -14.982 1.00 0.00 N ATOM 231 CA HIS A 16 -24.193 -3.326 -16.380 1.00 0.00 C ATOM 232 C HIS A 16 -23.471 -2.368 -17.326 1.00 0.00 C ATOM 233 O HIS A 16 -23.539 -2.502 -18.531 1.00 0.00 O ATOM 234 CB HIS A 16 -25.687 -3.061 -16.328 1.00 0.00 C ATOM 235 CG HIS A 16 -26.285 -4.009 -15.349 1.00 0.00 C ATOM 236 ND1 HIS A 16 -27.048 -5.104 -15.735 1.00 0.00 N ATOM 237 CD2 HIS A 16 -26.220 -4.049 -13.990 1.00 0.00 C ATOM 238 CE1 HIS A 16 -27.407 -5.753 -14.615 1.00 0.00 C ATOM 239 NE2 HIS A 16 -26.931 -5.145 -13.533 1.00 0.00 N ATOM 0 H HIS A 16 -24.273 -2.347 -14.498 1.00 0.00 H new ATOM 0 HA HIS A 16 -23.960 -4.323 -16.753 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -25.882 -2.031 -16.030 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -26.133 -3.197 -17.313 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -27.290 -5.366 -16.690 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -25.697 -3.338 -13.367 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -28.005 -6.652 -14.596 1.00 0.00 H new ATOM 247 N GLY A 17 -22.767 -1.410 -16.790 1.00 0.00 N ATOM 248 CA GLY A 17 -22.028 -0.457 -17.666 1.00 0.00 C ATOM 249 C GLY A 17 -22.689 0.913 -17.586 1.00 0.00 C ATOM 250 O GLY A 17 -22.716 1.661 -18.543 1.00 0.00 O ATOM 0 H GLY A 17 -22.671 -1.246 -15.788 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -20.986 -0.390 -17.353 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -22.029 -0.815 -18.696 1.00 0.00 H new ATOM 254 N LEU A 18 -23.229 1.244 -16.452 1.00 0.00 N ATOM 255 CA LEU A 18 -23.898 2.563 -16.308 1.00 0.00 C ATOM 256 C LEU A 18 -22.985 3.533 -15.548 1.00 0.00 C ATOM 257 O LEU A 18 -22.162 3.131 -14.750 1.00 0.00 O ATOM 258 CB LEU A 18 -25.159 2.260 -15.501 1.00 0.00 C ATOM 259 CG LEU A 18 -26.341 3.042 -16.069 1.00 0.00 C ATOM 260 CD1 LEU A 18 -26.019 4.531 -16.051 1.00 0.00 C ATOM 261 CD2 LEU A 18 -26.605 2.591 -17.506 1.00 0.00 C ATOM 0 H LEU A 18 -23.237 0.658 -15.617 1.00 0.00 H new ATOM 0 HA LEU A 18 -24.125 3.032 -17.266 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -25.371 1.191 -15.530 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -25.005 2.526 -14.455 1.00 0.00 H new ATOM 0 HG LEU A 18 -27.228 2.856 -15.463 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -26.862 5.090 -16.456 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -25.831 4.850 -15.026 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -25.133 4.719 -16.658 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -27.449 3.148 -17.913 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -25.720 2.777 -18.114 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -26.835 1.526 -17.517 1.00 0.00 H new ATOM 273 N LYS A 19 -23.135 4.804 -15.786 1.00 0.00 N ATOM 274 CA LYS A 19 -22.297 5.813 -15.085 1.00 0.00 C ATOM 275 C LYS A 19 -23.105 7.099 -14.949 1.00 0.00 C ATOM 276 O LYS A 19 -23.124 7.940 -15.826 1.00 0.00 O ATOM 277 CB LYS A 19 -21.072 6.016 -15.975 1.00 0.00 C ATOM 278 CG LYS A 19 -20.148 4.803 -15.848 1.00 0.00 C ATOM 279 CD LYS A 19 -19.767 4.601 -14.379 1.00 0.00 C ATOM 280 CE LYS A 19 -18.244 4.608 -14.240 1.00 0.00 C ATOM 281 NZ LYS A 19 -17.905 3.280 -13.659 1.00 0.00 N ATOM 0 H LYS A 19 -23.811 5.191 -16.444 1.00 0.00 H new ATOM 0 HA LYS A 19 -21.995 5.504 -14.084 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -21.380 6.146 -17.013 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -20.543 6.923 -15.683 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.646 3.912 -16.231 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.251 4.951 -16.450 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.202 5.392 -13.768 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.172 3.657 -14.014 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.760 4.751 -15.206 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.910 5.419 -13.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -16.875 3.209 -13.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -18.374 3.174 -12.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.229 2.528 -14.300 1.00 0.00 H new ATOM 295 N ILE A 20 -23.812 7.223 -13.867 1.00 0.00 N ATOM 296 CA ILE A 20 -24.680 8.418 -13.656 1.00 0.00 C ATOM 297 C ILE A 20 -24.028 9.412 -12.679 1.00 0.00 C ATOM 298 O ILE A 20 -24.547 10.488 -12.462 1.00 0.00 O ATOM 299 CB ILE A 20 -26.010 7.845 -13.089 1.00 0.00 C ATOM 300 CG1 ILE A 20 -26.097 8.034 -11.578 1.00 0.00 C ATOM 301 CG2 ILE A 20 -26.169 6.362 -13.455 1.00 0.00 C ATOM 302 CD1 ILE A 20 -25.538 6.822 -10.885 1.00 0.00 C ATOM 0 H ILE A 20 -23.829 6.542 -13.108 1.00 0.00 H new ATOM 0 HA ILE A 20 -24.841 8.979 -14.576 1.00 0.00 H new ATOM 0 HB ILE A 20 -26.828 8.402 -13.546 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -25.542 8.924 -11.280 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -27.134 8.190 -11.280 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -27.107 5.985 -13.047 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -26.176 6.254 -14.540 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -25.338 5.793 -13.039 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -25.601 6.959 -9.805 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -26.112 5.941 -11.173 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -24.496 6.686 -11.173 1.00 0.00 H new ATOM 314 N THR A 21 -22.928 9.037 -12.064 1.00 0.00 N ATOM 315 CA THR A 21 -22.245 9.933 -11.056 1.00 0.00 C ATOM 316 C THR A 21 -22.925 9.794 -9.682 1.00 0.00 C ATOM 317 O THR A 21 -22.616 10.496 -8.741 1.00 0.00 O ATOM 318 CB THR A 21 -22.392 11.361 -11.573 1.00 0.00 C ATOM 319 OG1 THR A 21 -22.250 11.371 -12.986 1.00 0.00 O ATOM 320 CG2 THR A 21 -21.322 12.251 -10.941 1.00 0.00 C ATOM 0 H THR A 21 -22.466 8.140 -12.215 1.00 0.00 H new ATOM 0 HA THR A 21 -21.195 9.665 -10.936 1.00 0.00 H new ATOM 0 HB THR A 21 -23.378 11.742 -11.306 1.00 0.00 H new ATOM 0 HG1 THR A 21 -23.136 11.364 -13.404 1.00 0.00 H new ATOM 0 HG21 THR A 21 -21.430 13.270 -11.313 1.00 0.00 H new ATOM 0 HG22 THR A 21 -21.438 12.246 -9.857 1.00 0.00 H new ATOM 0 HG23 THR A 21 -20.334 11.873 -11.202 1.00 0.00 H new ATOM 328 N LEU A 22 -23.849 8.885 -9.582 1.00 0.00 N ATOM 329 CA LEU A 22 -24.584 8.646 -8.295 1.00 0.00 C ATOM 330 C LEU A 22 -24.946 9.971 -7.619 1.00 0.00 C ATOM 331 O LEU A 22 -25.137 10.039 -6.423 1.00 0.00 O ATOM 332 CB LEU A 22 -23.619 7.811 -7.440 1.00 0.00 C ATOM 333 CG LEU A 22 -24.282 7.340 -6.130 1.00 0.00 C ATOM 334 CD1 LEU A 22 -23.935 8.309 -4.998 1.00 0.00 C ATOM 335 CD2 LEU A 22 -25.806 7.261 -6.283 1.00 0.00 C ATOM 0 H LEU A 22 -24.138 8.280 -10.351 1.00 0.00 H new ATOM 0 HA LEU A 22 -25.531 8.129 -8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -23.283 6.945 -8.010 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -22.733 8.402 -7.208 1.00 0.00 H new ATOM 0 HG LEU A 22 -23.904 6.345 -5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -24.405 7.973 -4.074 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -22.854 8.340 -4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -24.298 9.306 -5.248 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -26.249 6.926 -5.345 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -26.198 8.246 -6.538 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -26.056 6.555 -7.075 1.00 0.00 H new ATOM 347 N LYS A 23 -25.079 11.019 -8.380 1.00 0.00 N ATOM 348 CA LYS A 23 -25.470 12.322 -7.776 1.00 0.00 C ATOM 349 C LYS A 23 -26.999 12.375 -7.691 1.00 0.00 C ATOM 350 O LYS A 23 -27.676 12.392 -8.699 1.00 0.00 O ATOM 351 CB LYS A 23 -24.941 13.390 -8.736 1.00 0.00 C ATOM 352 CG LYS A 23 -24.104 14.410 -7.961 1.00 0.00 C ATOM 353 CD LYS A 23 -24.505 15.825 -8.385 1.00 0.00 C ATOM 354 CE LYS A 23 -23.740 16.215 -9.651 1.00 0.00 C ATOM 355 NZ LYS A 23 -24.564 17.284 -10.282 1.00 0.00 N ATOM 0 H LYS A 23 -24.935 11.031 -9.390 1.00 0.00 H new ATOM 0 HA LYS A 23 -25.070 12.469 -6.773 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -24.336 12.925 -9.515 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -25.772 13.890 -9.233 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -24.257 14.283 -6.889 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -23.043 14.248 -8.153 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -25.579 15.871 -8.568 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -24.288 16.531 -7.584 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -22.740 16.576 -9.413 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -23.620 15.362 -10.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -24.105 17.605 -11.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -25.508 16.909 -10.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -24.655 18.085 -9.625 1.00 0.00 H new ATOM 369 N GLY A 24 -27.557 12.364 -6.506 1.00 0.00 N ATOM 370 CA GLY A 24 -29.045 12.372 -6.408 1.00 0.00 C ATOM 371 C GLY A 24 -29.560 11.286 -7.350 1.00 0.00 C ATOM 372 O GLY A 24 -30.375 11.525 -8.219 1.00 0.00 O ATOM 0 H GLY A 24 -27.055 12.350 -5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -29.365 12.178 -5.384 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -29.445 13.347 -6.688 1.00 0.00 H new ATOM 376 N HIS A 25 -29.039 10.098 -7.201 1.00 0.00 N ATOM 377 CA HIS A 25 -29.427 8.977 -8.103 1.00 0.00 C ATOM 378 C HIS A 25 -30.103 7.844 -7.322 1.00 0.00 C ATOM 379 O HIS A 25 -31.274 7.911 -7.011 1.00 0.00 O ATOM 380 CB HIS A 25 -28.085 8.530 -8.670 1.00 0.00 C ATOM 381 CG HIS A 25 -28.222 7.296 -9.516 1.00 0.00 C ATOM 382 ND1 HIS A 25 -27.667 6.045 -9.403 1.00 0.00 N flip ATOM 383 CD2 HIS A 25 -28.878 7.307 -10.735 1.00 0.00 C flip ATOM 384 CE1 HIS A 25 -27.957 5.307 -10.528 1.00 0.00 C flip ATOM 385 NE2 HIS A 25 -28.677 6.107 -11.306 1.00 0.00 N flip ATOM 0 H HIS A 25 -28.354 9.855 -6.485 1.00 0.00 H new ATOM 0 HA HIS A 25 -30.148 9.265 -8.868 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -27.656 9.335 -9.267 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -27.391 8.335 -7.852 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -29.445 8.127 -11.150 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -27.661 4.289 -10.735 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -29.034 5.843 -12.224 1.00 0.00 H new ATOM 393 N LYS A 26 -29.380 6.800 -7.011 1.00 0.00 N ATOM 394 CA LYS A 26 -29.990 5.667 -6.265 1.00 0.00 C ATOM 395 C LYS A 26 -31.373 5.346 -6.844 1.00 0.00 C ATOM 396 O LYS A 26 -31.491 4.598 -7.795 1.00 0.00 O ATOM 397 CB LYS A 26 -30.088 6.153 -4.816 1.00 0.00 C ATOM 398 CG LYS A 26 -30.632 5.032 -3.931 1.00 0.00 C ATOM 399 CD LYS A 26 -29.548 4.590 -2.945 1.00 0.00 C ATOM 400 CE LYS A 26 -29.268 3.096 -3.122 1.00 0.00 C ATOM 401 NZ LYS A 26 -28.256 3.019 -4.212 1.00 0.00 N ATOM 0 H LYS A 26 -28.393 6.686 -7.243 1.00 0.00 H new ATOM 0 HA LYS A 26 -29.404 4.750 -6.336 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -29.106 6.466 -4.460 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -30.741 7.024 -4.758 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -31.513 5.377 -3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -30.946 4.188 -4.546 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -28.636 5.163 -3.112 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -29.869 4.791 -1.923 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -28.890 2.654 -2.200 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -30.175 2.553 -3.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -28.515 2.259 -4.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -28.225 3.925 -4.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -27.321 2.819 -3.804 1.00 0.00 H new ATOM 415 N ARG A 27 -32.419 5.904 -6.297 1.00 0.00 N ATOM 416 CA ARG A 27 -33.775 5.622 -6.844 1.00 0.00 C ATOM 417 C ARG A 27 -33.768 5.810 -8.363 1.00 0.00 C ATOM 418 O ARG A 27 -34.496 5.159 -9.086 1.00 0.00 O ATOM 419 CB ARG A 27 -34.691 6.650 -6.180 1.00 0.00 C ATOM 420 CG ARG A 27 -36.069 6.608 -6.843 1.00 0.00 C ATOM 421 CD ARG A 27 -37.126 7.127 -5.865 1.00 0.00 C ATOM 422 NE ARG A 27 -36.764 8.551 -5.625 1.00 0.00 N ATOM 423 CZ ARG A 27 -37.394 9.238 -4.712 1.00 0.00 C ATOM 424 NH1 ARG A 27 -37.306 8.888 -3.458 1.00 0.00 N ATOM 425 NH2 ARG A 27 -38.114 10.272 -5.051 1.00 0.00 N ATOM 0 H ARG A 27 -32.393 6.539 -5.499 1.00 0.00 H new ATOM 0 HA ARG A 27 -34.102 4.601 -6.646 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -34.781 6.438 -5.115 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -34.262 7.648 -6.271 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -36.067 7.216 -7.748 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -36.308 5.588 -7.144 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -38.128 7.040 -6.285 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -37.119 6.556 -4.936 1.00 0.00 H new ATOM 0 HE ARG A 27 -36.024 8.989 -6.174 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -36.745 8.078 -3.193 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -37.798 9.424 -2.743 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -38.185 10.545 -6.031 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -38.606 10.808 -4.336 1.00 0.00 H new ATOM 439 N TYR A 28 -32.939 6.694 -8.849 1.00 0.00 N ATOM 440 CA TYR A 28 -32.866 6.929 -10.320 1.00 0.00 C ATOM 441 C TYR A 28 -32.076 5.804 -10.992 1.00 0.00 C ATOM 442 O TYR A 28 -31.947 5.755 -12.199 1.00 0.00 O ATOM 443 CB TYR A 28 -32.118 8.252 -10.464 1.00 0.00 C ATOM 444 CG TYR A 28 -33.037 9.395 -10.103 1.00 0.00 C ATOM 445 CD1 TYR A 28 -33.450 9.574 -8.777 1.00 0.00 C ATOM 446 CD2 TYR A 28 -33.479 10.275 -11.098 1.00 0.00 C ATOM 447 CE1 TYR A 28 -34.304 10.634 -8.446 1.00 0.00 C ATOM 448 CE2 TYR A 28 -34.333 11.334 -10.768 1.00 0.00 C ATOM 449 CZ TYR A 28 -34.745 11.514 -9.442 1.00 0.00 C ATOM 450 OH TYR A 28 -35.587 12.559 -9.117 1.00 0.00 O ATOM 0 H TYR A 28 -32.307 7.266 -8.289 1.00 0.00 H new ATOM 0 HA TYR A 28 -33.851 6.956 -10.786 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -31.241 8.258 -9.816 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -31.759 8.369 -11.487 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -33.110 8.895 -8.009 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -33.161 10.137 -12.121 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -34.622 10.772 -7.423 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -34.674 12.012 -11.536 1.00 0.00 H new ATOM 0 HH TYR A 28 -35.796 13.074 -9.924 1.00 0.00 H new ATOM 460 N CYS A 29 -31.535 4.908 -10.215 1.00 0.00 N ATOM 461 CA CYS A 29 -30.738 3.793 -10.798 1.00 0.00 C ATOM 462 C CYS A 29 -31.630 2.797 -11.532 1.00 0.00 C ATOM 463 O CYS A 29 -32.528 2.224 -10.957 1.00 0.00 O ATOM 464 CB CYS A 29 -30.101 3.093 -9.597 1.00 0.00 C ATOM 465 SG CYS A 29 -28.751 2.033 -10.171 1.00 0.00 S ATOM 0 H CYS A 29 -31.611 4.900 -9.198 1.00 0.00 H new ATOM 0 HA CYS A 29 -30.010 4.168 -11.518 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -29.724 3.831 -8.889 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -30.847 2.498 -9.070 1.00 0.00 H new ATOM 0 HG CYS A 29 -27.619 2.496 -9.731 1.00 0.00 H new ATOM 470 N LYS A 30 -31.365 2.539 -12.780 1.00 0.00 N ATOM 471 CA LYS A 30 -32.187 1.520 -13.485 1.00 0.00 C ATOM 472 C LYS A 30 -31.974 0.182 -12.767 1.00 0.00 C ATOM 473 O LYS A 30 -32.735 -0.753 -12.908 1.00 0.00 O ATOM 474 CB LYS A 30 -31.649 1.467 -14.916 1.00 0.00 C ATOM 475 CG LYS A 30 -32.793 1.133 -15.877 1.00 0.00 C ATOM 476 CD LYS A 30 -32.221 0.567 -17.180 1.00 0.00 C ATOM 477 CE LYS A 30 -33.216 -0.427 -17.785 1.00 0.00 C ATOM 478 NZ LYS A 30 -32.426 -1.665 -18.027 1.00 0.00 N ATOM 0 H LYS A 30 -30.630 2.979 -13.334 1.00 0.00 H new ATOM 0 HA LYS A 30 -33.253 1.747 -13.492 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -31.202 2.424 -15.184 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -30.863 0.716 -14.993 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -33.466 0.409 -15.419 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -33.380 2.028 -16.084 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -32.024 1.375 -17.884 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -31.269 0.073 -16.987 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -34.047 -0.616 -17.106 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -33.643 -0.044 -18.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -33.041 -2.394 -18.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -31.646 -1.456 -18.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -32.038 -2.011 -17.126 1.00 0.00 H new ATOM 492 N PHE A 31 -30.928 0.113 -11.980 1.00 0.00 N ATOM 493 CA PHE A 31 -30.608 -1.121 -11.209 1.00 0.00 C ATOM 494 C PHE A 31 -30.929 -0.889 -9.732 1.00 0.00 C ATOM 495 O PHE A 31 -30.639 -1.709 -8.887 1.00 0.00 O ATOM 496 CB PHE A 31 -29.099 -1.296 -11.423 1.00 0.00 C ATOM 497 CG PHE A 31 -28.832 -1.223 -12.901 1.00 0.00 C ATOM 498 CD1 PHE A 31 -28.698 0.025 -13.518 1.00 0.00 C ATOM 499 CD2 PHE A 31 -28.747 -2.394 -13.658 1.00 0.00 C ATOM 500 CE1 PHE A 31 -28.473 0.103 -14.892 1.00 0.00 C ATOM 501 CE2 PHE A 31 -28.526 -2.318 -15.034 1.00 0.00 C ATOM 502 CZ PHE A 31 -28.387 -1.069 -15.655 1.00 0.00 C ATOM 0 H PHE A 31 -30.270 0.880 -11.839 1.00 0.00 H new ATOM 0 HA PHE A 31 -31.174 -1.998 -11.522 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -28.546 -0.518 -10.896 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -28.765 -2.253 -11.021 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -28.769 0.928 -12.930 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -28.852 -3.356 -13.179 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -28.365 1.066 -15.368 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -28.462 -3.222 -15.621 1.00 0.00 H new ATOM 0 HZ PHE A 31 -28.214 -1.010 -16.719 1.00 0.00 H new ATOM 512 N ARG A 32 -31.519 0.237 -9.418 1.00 0.00 N ATOM 513 CA ARG A 32 -31.853 0.545 -7.999 1.00 0.00 C ATOM 514 C ARG A 32 -32.399 -0.702 -7.312 1.00 0.00 C ATOM 515 O ARG A 32 -32.262 -0.887 -6.119 1.00 0.00 O ATOM 516 CB ARG A 32 -32.911 1.659 -8.066 1.00 0.00 C ATOM 517 CG ARG A 32 -34.316 1.072 -8.267 1.00 0.00 C ATOM 518 CD ARG A 32 -34.471 0.544 -9.699 1.00 0.00 C ATOM 519 NE ARG A 32 -35.459 1.461 -10.335 1.00 0.00 N ATOM 520 CZ ARG A 32 -35.440 1.653 -11.625 1.00 0.00 C ATOM 521 NH1 ARG A 32 -36.093 0.846 -12.415 1.00 0.00 N ATOM 522 NH2 ARG A 32 -34.770 2.655 -12.127 1.00 0.00 N ATOM 0 H ARG A 32 -31.784 0.958 -10.089 1.00 0.00 H new ATOM 0 HA ARG A 32 -30.984 0.862 -7.422 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -32.886 2.245 -7.147 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -32.677 2.339 -8.885 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -34.486 0.265 -7.554 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -35.068 1.836 -8.070 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -33.520 0.556 -10.231 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -34.826 -0.487 -9.705 1.00 0.00 H new ATOM 0 HE ARG A 32 -36.152 1.940 -9.760 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -36.619 0.064 -12.024 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -36.078 0.997 -13.424 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -34.261 3.288 -11.510 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -34.756 2.804 -13.136 1.00 0.00 H new ATOM 536 N TYR A 33 -33.014 -1.560 -8.068 1.00 0.00 N ATOM 537 CA TYR A 33 -33.575 -2.811 -7.478 1.00 0.00 C ATOM 538 C TYR A 33 -33.060 -4.032 -8.244 1.00 0.00 C ATOM 539 O TYR A 33 -33.632 -5.104 -8.179 1.00 0.00 O ATOM 540 CB TYR A 33 -35.093 -2.688 -7.622 1.00 0.00 C ATOM 541 CG TYR A 33 -35.599 -1.570 -6.740 1.00 0.00 C ATOM 542 CD1 TYR A 33 -35.051 -1.376 -5.466 1.00 0.00 C ATOM 543 CD2 TYR A 33 -36.615 -0.722 -7.200 1.00 0.00 C ATOM 544 CE1 TYR A 33 -35.516 -0.335 -4.654 1.00 0.00 C ATOM 545 CE2 TYR A 33 -37.081 0.319 -6.386 1.00 0.00 C ATOM 546 CZ TYR A 33 -36.532 0.512 -5.113 1.00 0.00 C ATOM 547 OH TYR A 33 -36.990 1.539 -4.311 1.00 0.00 O ATOM 0 H TYR A 33 -33.155 -1.453 -9.072 1.00 0.00 H new ATOM 0 HA TYR A 33 -33.280 -2.938 -6.436 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -35.355 -2.491 -8.662 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -35.572 -3.627 -7.345 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -34.269 -2.030 -5.110 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -37.039 -0.871 -8.182 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -35.091 -0.185 -3.673 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -37.864 0.973 -6.741 1.00 0.00 H new ATOM 0 HH TYR A 33 -37.695 2.032 -4.781 1.00 0.00 H new ATOM 557 N CYS A 34 -31.983 -3.883 -8.965 1.00 0.00 N ATOM 558 CA CYS A 34 -31.436 -5.041 -9.724 1.00 0.00 C ATOM 559 C CYS A 34 -31.029 -6.152 -8.755 1.00 0.00 C ATOM 560 O CYS A 34 -30.974 -5.955 -7.558 1.00 0.00 O ATOM 561 CB CYS A 34 -30.201 -4.506 -10.451 1.00 0.00 C ATOM 562 SG CYS A 34 -29.578 -5.772 -11.576 1.00 0.00 S ATOM 0 H CYS A 34 -31.460 -3.012 -9.061 1.00 0.00 H new ATOM 0 HA CYS A 34 -32.168 -5.457 -10.417 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -30.454 -3.603 -11.006 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -29.430 -4.232 -9.730 1.00 0.00 H new ATOM 0 HG CYS A 34 -28.555 -5.306 -12.230 1.00 0.00 H new ATOM 567 N THR A 35 -30.739 -7.315 -9.264 1.00 0.00 N ATOM 568 CA THR A 35 -30.331 -8.436 -8.372 1.00 0.00 C ATOM 569 C THR A 35 -29.279 -9.316 -9.057 1.00 0.00 C ATOM 570 O THR A 35 -28.872 -10.328 -8.524 1.00 0.00 O ATOM 571 CB THR A 35 -31.614 -9.227 -8.120 1.00 0.00 C ATOM 572 OG1 THR A 35 -32.457 -9.132 -9.260 1.00 0.00 O ATOM 573 CG2 THR A 35 -32.336 -8.654 -6.900 1.00 0.00 C ATOM 0 H THR A 35 -30.767 -7.539 -10.259 1.00 0.00 H new ATOM 0 HA THR A 35 -29.881 -8.079 -7.445 1.00 0.00 H new ATOM 0 HB THR A 35 -31.368 -10.273 -7.935 1.00 0.00 H new ATOM 0 HG1 THR A 35 -33.280 -9.640 -9.102 1.00 0.00 H new ATOM 0 HG21 THR A 35 -33.251 -9.218 -6.720 1.00 0.00 H new ATOM 0 HG22 THR A 35 -31.688 -8.726 -6.027 1.00 0.00 H new ATOM 0 HG23 THR A 35 -32.584 -7.608 -7.082 1.00 0.00 H new ATOM 581 N CYS A 36 -28.823 -8.942 -10.226 1.00 0.00 N ATOM 582 CA CYS A 36 -27.790 -9.776 -10.904 1.00 0.00 C ATOM 583 C CYS A 36 -26.679 -10.103 -9.894 1.00 0.00 C ATOM 584 O CYS A 36 -26.672 -9.591 -8.791 1.00 0.00 O ATOM 585 CB CYS A 36 -27.271 -8.923 -12.060 1.00 0.00 C ATOM 586 SG CYS A 36 -26.258 -7.583 -11.415 1.00 0.00 S ATOM 0 H CYS A 36 -29.117 -8.107 -10.733 1.00 0.00 H new ATOM 0 HA CYS A 36 -28.177 -10.724 -11.276 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -26.686 -9.537 -12.744 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -28.107 -8.518 -12.630 1.00 0.00 H new ATOM 0 HG CYS A 36 -26.429 -6.520 -12.144 1.00 0.00 H new ATOM 591 N GLU A 37 -25.755 -10.958 -10.237 1.00 0.00 N ATOM 592 CA GLU A 37 -24.677 -11.313 -9.261 1.00 0.00 C ATOM 593 C GLU A 37 -23.560 -10.261 -9.245 1.00 0.00 C ATOM 594 O GLU A 37 -22.570 -10.411 -8.556 1.00 0.00 O ATOM 595 CB GLU A 37 -24.135 -12.659 -9.744 1.00 0.00 C ATOM 596 CG GLU A 37 -23.499 -13.404 -8.568 1.00 0.00 C ATOM 597 CD GLU A 37 -24.249 -14.715 -8.325 1.00 0.00 C ATOM 598 OE1 GLU A 37 -24.973 -15.134 -9.214 1.00 0.00 O ATOM 599 OE2 GLU A 37 -24.086 -15.278 -7.256 1.00 0.00 O ATOM 0 H GLU A 37 -25.696 -11.425 -11.142 1.00 0.00 H new ATOM 0 HA GLU A 37 -25.062 -11.358 -8.242 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -24.941 -13.255 -10.173 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -23.398 -12.505 -10.532 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -22.449 -13.608 -8.778 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -23.530 -12.784 -7.672 1.00 0.00 H new ATOM 606 N LYS A 38 -23.715 -9.192 -9.973 1.00 0.00 N ATOM 607 CA LYS A 38 -22.664 -8.132 -9.976 1.00 0.00 C ATOM 608 C LYS A 38 -23.160 -6.951 -9.152 1.00 0.00 C ATOM 609 O LYS A 38 -22.395 -6.145 -8.661 1.00 0.00 O ATOM 610 CB LYS A 38 -22.484 -7.740 -11.446 1.00 0.00 C ATOM 611 CG LYS A 38 -22.461 -9.002 -12.314 1.00 0.00 C ATOM 612 CD LYS A 38 -21.201 -9.002 -13.183 1.00 0.00 C ATOM 613 CE LYS A 38 -21.498 -8.312 -14.518 1.00 0.00 C ATOM 614 NZ LYS A 38 -21.095 -9.300 -15.558 1.00 0.00 N ATOM 0 H LYS A 38 -24.523 -9.004 -10.567 1.00 0.00 H new ATOM 0 HA LYS A 38 -21.720 -8.464 -9.545 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -23.296 -7.085 -11.760 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -21.557 -7.182 -11.573 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -22.480 -9.891 -11.683 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -23.350 -9.039 -12.944 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -20.391 -8.486 -12.667 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -20.867 -10.025 -13.357 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -22.554 -8.056 -14.604 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -20.936 -7.383 -14.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -21.268 -8.900 -16.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -20.084 -9.519 -15.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -21.651 -10.171 -15.443 1.00 0.00 H new ATOM 628 N CYS A 39 -24.443 -6.882 -8.964 1.00 0.00 N ATOM 629 CA CYS A 39 -25.028 -5.803 -8.139 1.00 0.00 C ATOM 630 C CYS A 39 -25.032 -6.307 -6.703 1.00 0.00 C ATOM 631 O CYS A 39 -24.758 -5.585 -5.766 1.00 0.00 O ATOM 632 CB CYS A 39 -26.456 -5.646 -8.655 1.00 0.00 C ATOM 633 SG CYS A 39 -26.535 -4.305 -9.863 1.00 0.00 S ATOM 0 H CYS A 39 -25.119 -7.538 -9.354 1.00 0.00 H new ATOM 0 HA CYS A 39 -24.491 -4.855 -8.186 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -26.791 -6.578 -9.112 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -27.130 -5.438 -7.824 1.00 0.00 H new ATOM 0 HG CYS A 39 -27.510 -4.526 -10.694 1.00 0.00 H new ATOM 638 N ARG A 40 -25.310 -7.577 -6.543 1.00 0.00 N ATOM 639 CA ARG A 40 -25.300 -8.182 -5.190 1.00 0.00 C ATOM 640 C ARG A 40 -23.847 -8.348 -4.761 1.00 0.00 C ATOM 641 O ARG A 40 -23.490 -8.169 -3.614 1.00 0.00 O ATOM 642 CB ARG A 40 -25.973 -9.546 -5.351 1.00 0.00 C ATOM 643 CG ARG A 40 -27.493 -9.383 -5.272 1.00 0.00 C ATOM 644 CD ARG A 40 -28.143 -10.760 -5.117 1.00 0.00 C ATOM 645 NE ARG A 40 -28.101 -11.044 -3.656 1.00 0.00 N ATOM 646 CZ ARG A 40 -27.377 -12.031 -3.204 1.00 0.00 C ATOM 647 NH1 ARG A 40 -27.758 -13.263 -3.400 1.00 0.00 N ATOM 648 NH2 ARG A 40 -26.272 -11.786 -2.554 1.00 0.00 N ATOM 0 H ARG A 40 -25.544 -8.219 -7.301 1.00 0.00 H new ATOM 0 HA ARG A 40 -25.815 -7.580 -4.441 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -25.694 -9.989 -6.307 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -25.629 -10.226 -4.572 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -27.758 -8.746 -4.428 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -27.865 -8.892 -6.171 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -29.168 -10.757 -5.489 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -27.601 -11.518 -5.682 1.00 0.00 H new ATOM 0 HE ARG A 40 -28.638 -10.467 -3.009 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -28.622 -13.455 -3.907 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -27.192 -14.034 -3.047 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -25.974 -10.823 -2.399 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -25.706 -12.558 -2.201 1.00 0.00 H new