USER MOD reduce.3.24.130724 H: found=0, std=0, add=278, rem=0, adj=14 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= -12.7! C(o=-23!,f=-32!) USER MOD Set 1.2: A 16 HIS : no HE2:sc= -8.09! C(o=-23!,f=-25!) USER MOD Set 1.3: A 34 CYS SG : rot 177:sc= 0.732 USER MOD Set 1.4: A 36 CYS SG : rot -146:sc= -0.278! USER MOD Set 1.5: A 39 CYS SG : rot 153:sc= -2.2! USER MOD Set 2.1: A 10 CYS SG : rot 120:sc= 0.513 USER MOD Set 2.2: A 13 CYS SG : rot -71:sc= -5.25! USER MOD Set 2.3: A 25 HIS :FLIP no HD1:sc= -21.8! C(o=-36!,f=-34!) USER MOD Set 2.4: A 29 CYS SG : rot 113:sc= -7.55! USER MOD Single : A 9 ASN :FLIP amide:sc= -2.77! C(o=-5.2!,f=-2.8!) USER MOD Single : A 19 LYS NZ :NH3+ -102:sc= 1.15 (180deg=-0.287) USER MOD Single : A 21 THR OG1 : rot 106:sc= -0.722! USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 -19.387 7.339 -9.404 1.00 0.00 N ATOM 125 CA ASN A 9 -20.603 6.836 -10.109 1.00 0.00 C ATOM 126 C ASN A 9 -21.280 5.737 -9.294 1.00 0.00 C ATOM 127 O ASN A 9 -20.693 5.151 -8.407 1.00 0.00 O ATOM 128 CB ASN A 9 -20.089 6.285 -11.438 1.00 0.00 C ATOM 129 CG ASN A 9 -19.393 4.941 -11.200 1.00 0.00 C ATOM 130 OD1 ASN A 9 -19.858 3.868 -11.780 1.00 0.00 O flip ATOM 131 ND2 ASN A 9 -18.419 4.869 -10.479 1.00 0.00 N flip ATOM 0 HA ASN A 9 -21.348 7.619 -10.252 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -20.917 6.159 -12.136 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -19.394 6.991 -11.892 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -18.056 5.708 -10.026 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -17.963 3.969 -10.326 1.00 0.00 H new ATOM 138 N CYS A 10 -22.515 5.458 -9.595 1.00 0.00 N ATOM 139 CA CYS A 10 -23.247 4.401 -8.847 1.00 0.00 C ATOM 140 C CYS A 10 -22.745 3.020 -9.264 1.00 0.00 C ATOM 141 O CYS A 10 -22.416 2.788 -10.411 1.00 0.00 O ATOM 142 CB CYS A 10 -24.708 4.546 -9.261 1.00 0.00 C ATOM 143 SG CYS A 10 -25.653 3.171 -8.579 1.00 0.00 S ATOM 0 H CYS A 10 -23.052 5.918 -10.330 1.00 0.00 H new ATOM 0 HA CYS A 10 -23.106 4.502 -7.771 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -25.109 5.493 -8.900 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -24.792 4.557 -10.348 1.00 0.00 H new ATOM 0 HG CYS A 10 -26.581 3.630 -7.793 1.00 0.00 H new ATOM 148 N ALA A 11 -22.699 2.094 -8.354 1.00 0.00 N ATOM 149 CA ALA A 11 -22.229 0.736 -8.727 1.00 0.00 C ATOM 150 C ALA A 11 -23.402 -0.123 -9.198 1.00 0.00 C ATOM 151 O ALA A 11 -23.312 -0.847 -10.156 1.00 0.00 O ATOM 152 CB ALA A 11 -21.618 0.144 -7.460 1.00 0.00 C ATOM 0 H ALA A 11 -22.964 2.216 -7.377 1.00 0.00 H new ATOM 0 HA ALA A 11 -21.507 0.773 -9.543 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -21.251 -0.861 -7.668 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -20.791 0.771 -7.128 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -22.376 0.099 -6.678 1.00 0.00 H new ATOM 158 N ARG A 12 -24.512 -0.038 -8.546 1.00 0.00 N ATOM 159 CA ARG A 12 -25.675 -0.857 -8.970 1.00 0.00 C ATOM 160 C ARG A 12 -25.816 -0.811 -10.476 1.00 0.00 C ATOM 161 O ARG A 12 -25.999 -1.814 -11.136 1.00 0.00 O ATOM 162 CB ARG A 12 -26.853 -0.174 -8.304 1.00 0.00 C ATOM 163 CG ARG A 12 -28.122 -0.973 -8.561 1.00 0.00 C ATOM 164 CD ARG A 12 -28.623 -1.571 -7.246 1.00 0.00 C ATOM 165 NE ARG A 12 -28.379 -3.035 -7.372 1.00 0.00 N ATOM 166 CZ ARG A 12 -28.281 -3.774 -6.301 1.00 0.00 C ATOM 167 NH1 ARG A 12 -27.266 -3.620 -5.496 1.00 0.00 N ATOM 168 NH2 ARG A 12 -29.197 -4.664 -6.035 1.00 0.00 N ATOM 0 H ARG A 12 -24.671 0.562 -7.736 1.00 0.00 H new ATOM 0 HA ARG A 12 -25.587 -1.908 -8.695 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -26.677 -0.088 -7.232 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -26.965 0.839 -8.691 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -28.888 -0.330 -8.995 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -27.925 -1.766 -9.282 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -28.088 -1.153 -6.393 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -29.681 -1.359 -7.093 1.00 0.00 H new ATOM 0 HE ARG A 12 -28.289 -3.460 -8.295 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -26.551 -2.923 -5.704 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -27.187 -4.197 -4.658 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -29.991 -4.783 -6.664 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -29.119 -5.241 -5.198 1.00 0.00 H new ATOM 182 N CYS A 13 -25.731 0.350 -11.019 1.00 0.00 N ATOM 183 CA CYS A 13 -25.860 0.476 -12.497 1.00 0.00 C ATOM 184 C CYS A 13 -24.479 0.316 -13.182 1.00 0.00 C ATOM 185 O CYS A 13 -24.388 0.084 -14.377 1.00 0.00 O ATOM 186 CB CYS A 13 -26.485 1.862 -12.711 1.00 0.00 C ATOM 187 SG CYS A 13 -25.393 3.122 -12.110 1.00 0.00 S ATOM 0 H CYS A 13 -25.578 1.224 -10.515 1.00 0.00 H new ATOM 0 HA CYS A 13 -26.480 -0.301 -12.944 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -26.686 2.019 -13.771 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -27.442 1.922 -12.193 1.00 0.00 H new ATOM 0 HG CYS A 13 -25.365 3.088 -10.811 1.00 0.00 H new ATOM 192 N ARG A 14 -23.401 0.403 -12.434 1.00 0.00 N ATOM 193 CA ARG A 14 -22.042 0.225 -13.046 1.00 0.00 C ATOM 194 C ARG A 14 -21.847 -1.224 -13.500 1.00 0.00 C ATOM 195 O ARG A 14 -20.935 -1.546 -14.236 1.00 0.00 O ATOM 196 CB ARG A 14 -21.071 0.575 -11.901 1.00 0.00 C ATOM 197 CG ARG A 14 -20.223 -0.648 -11.446 1.00 0.00 C ATOM 198 CD ARG A 14 -21.037 -1.621 -10.586 1.00 0.00 C ATOM 199 NE ARG A 14 -20.117 -2.766 -10.334 1.00 0.00 N ATOM 200 CZ ARG A 14 -18.964 -2.563 -9.757 1.00 0.00 C ATOM 201 NH1 ARG A 14 -18.811 -1.557 -8.940 1.00 0.00 N ATOM 202 NH2 ARG A 14 -17.965 -3.369 -9.996 1.00 0.00 N ATOM 0 H ARG A 14 -23.403 0.589 -11.431 1.00 0.00 H new ATOM 0 HA ARG A 14 -21.889 0.846 -13.929 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -20.405 1.375 -12.225 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -21.638 0.957 -11.052 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -19.841 -1.171 -12.323 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -19.359 -0.300 -10.881 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -21.353 -1.155 -9.653 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -21.940 -1.945 -11.103 1.00 0.00 H new ATOM 0 HE ARG A 14 -20.389 -3.709 -10.613 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -19.593 -0.929 -8.752 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -17.910 -1.399 -8.489 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -18.086 -4.156 -10.633 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -17.063 -3.211 -9.546 1.00 0.00 H new ATOM 216 N ASN A 15 -22.671 -2.092 -13.017 1.00 0.00 N ATOM 217 CA ASN A 15 -22.538 -3.533 -13.341 1.00 0.00 C ATOM 218 C ASN A 15 -22.930 -3.820 -14.779 1.00 0.00 C ATOM 219 O ASN A 15 -22.387 -4.690 -15.429 1.00 0.00 O ATOM 220 CB ASN A 15 -23.516 -4.179 -12.376 1.00 0.00 C ATOM 221 CG ASN A 15 -22.933 -4.057 -10.982 1.00 0.00 C ATOM 222 OD1 ASN A 15 -21.963 -4.707 -10.645 1.00 0.00 O ATOM 223 ND2 ASN A 15 -23.498 -3.235 -10.152 1.00 0.00 N ATOM 0 H ASN A 15 -23.449 -1.864 -12.398 1.00 0.00 H new ATOM 0 HA ASN A 15 -21.516 -3.901 -13.245 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -24.487 -3.687 -12.429 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -23.674 -5.226 -12.635 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -23.128 -3.130 -9.207 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -24.312 -2.694 -10.444 1.00 0.00 H new ATOM 230 N HIS A 16 -23.887 -3.108 -15.264 1.00 0.00 N ATOM 231 CA HIS A 16 -24.357 -3.337 -16.649 1.00 0.00 C ATOM 232 C HIS A 16 -23.711 -2.343 -17.614 1.00 0.00 C ATOM 233 O HIS A 16 -23.830 -2.467 -18.817 1.00 0.00 O ATOM 234 CB HIS A 16 -25.858 -3.136 -16.534 1.00 0.00 C ATOM 235 CG HIS A 16 -26.373 -4.103 -15.524 1.00 0.00 C ATOM 236 ND1 HIS A 16 -27.084 -5.245 -15.873 1.00 0.00 N ATOM 237 CD2 HIS A 16 -26.269 -4.121 -14.167 1.00 0.00 C ATOM 238 CE1 HIS A 16 -27.377 -5.895 -14.733 1.00 0.00 C ATOM 239 NE2 HIS A 16 -26.906 -5.245 -13.675 1.00 0.00 N ATOM 0 H HIS A 16 -24.373 -2.367 -14.759 1.00 0.00 H new ATOM 0 HA HIS A 16 -24.097 -4.318 -17.047 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -26.084 -2.113 -16.233 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -26.340 -3.298 -17.498 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -27.336 -5.536 -16.818 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -25.768 -3.375 -13.569 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -27.924 -6.825 -14.684 1.00 0.00 H new ATOM 247 N GLY A 17 -23.010 -1.369 -17.104 1.00 0.00 N ATOM 248 CA GLY A 17 -22.345 -0.389 -18.010 1.00 0.00 C ATOM 249 C GLY A 17 -22.991 0.978 -17.840 1.00 0.00 C ATOM 250 O GLY A 17 -23.099 1.750 -18.773 1.00 0.00 O ATOM 0 H GLY A 17 -22.869 -1.209 -16.107 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -21.281 -0.331 -17.782 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -22.432 -0.718 -19.046 1.00 0.00 H new ATOM 254 N LEU A 18 -23.426 1.283 -16.655 1.00 0.00 N ATOM 255 CA LEU A 18 -24.072 2.599 -16.423 1.00 0.00 C ATOM 256 C LEU A 18 -23.117 3.521 -15.654 1.00 0.00 C ATOM 257 O LEU A 18 -22.271 3.072 -14.904 1.00 0.00 O ATOM 258 CB LEU A 18 -25.305 2.272 -15.587 1.00 0.00 C ATOM 259 CG LEU A 18 -26.496 3.096 -16.072 1.00 0.00 C ATOM 260 CD1 LEU A 18 -26.157 4.578 -15.979 1.00 0.00 C ATOM 261 CD2 LEU A 18 -26.809 2.735 -17.526 1.00 0.00 C ATOM 0 H LEU A 18 -23.362 0.678 -15.836 1.00 0.00 H new ATOM 0 HA LEU A 18 -24.330 3.116 -17.347 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -25.533 1.209 -15.661 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -25.109 2.484 -14.536 1.00 0.00 H new ATOM 0 HG LEU A 18 -27.365 2.881 -15.450 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -27.006 5.168 -16.325 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -25.934 4.836 -14.944 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -25.289 4.792 -16.602 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -27.659 3.323 -17.872 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -25.941 2.950 -18.149 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -27.050 1.674 -17.594 1.00 0.00 H new ATOM 273 N LYS A 19 -23.252 4.804 -15.832 1.00 0.00 N ATOM 274 CA LYS A 19 -22.369 5.767 -15.119 1.00 0.00 C ATOM 275 C LYS A 19 -23.142 7.065 -14.899 1.00 0.00 C ATOM 276 O LYS A 19 -23.153 7.951 -15.730 1.00 0.00 O ATOM 277 CB LYS A 19 -21.173 5.984 -16.045 1.00 0.00 C ATOM 278 CG LYS A 19 -19.892 6.065 -15.211 1.00 0.00 C ATOM 279 CD LYS A 19 -19.648 4.727 -14.506 1.00 0.00 C ATOM 280 CE LYS A 19 -18.792 3.827 -15.399 1.00 0.00 C ATOM 281 NZ LYS A 19 -19.691 2.703 -15.786 1.00 0.00 N ATOM 0 H LYS A 19 -23.944 5.231 -16.448 1.00 0.00 H new ATOM 0 HA LYS A 19 -22.040 5.409 -14.143 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -21.102 5.167 -16.763 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.305 6.901 -16.619 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.045 6.309 -15.852 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.976 6.865 -14.475 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.147 4.893 -13.552 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -20.599 4.241 -14.287 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.434 4.366 -16.276 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.913 3.464 -14.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -19.464 1.864 -15.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -20.681 2.977 -15.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -19.556 2.482 -16.793 1.00 0.00 H new ATOM 295 N ILE A 20 -23.818 7.153 -13.795 1.00 0.00 N ATOM 296 CA ILE A 20 -24.644 8.360 -13.502 1.00 0.00 C ATOM 297 C ILE A 20 -23.933 9.278 -12.489 1.00 0.00 C ATOM 298 O ILE A 20 -24.423 10.342 -12.167 1.00 0.00 O ATOM 299 CB ILE A 20 -25.984 7.802 -12.941 1.00 0.00 C ATOM 300 CG1 ILE A 20 -26.055 7.941 -11.426 1.00 0.00 C ATOM 301 CG2 ILE A 20 -26.183 6.337 -13.354 1.00 0.00 C ATOM 302 CD1 ILE A 20 -25.485 6.705 -10.785 1.00 0.00 C ATOM 0 H ILE A 20 -23.837 6.434 -13.071 1.00 0.00 H new ATOM 0 HA ILE A 20 -24.810 8.976 -14.386 1.00 0.00 H new ATOM 0 HB ILE A 20 -26.790 8.396 -13.371 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -25.498 8.821 -11.104 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -27.089 8.084 -11.111 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -27.126 5.970 -12.950 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -26.202 6.265 -14.441 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -25.362 5.734 -12.964 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -25.535 6.802 -9.700 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -26.061 5.834 -11.098 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -24.446 6.582 -11.091 1.00 0.00 H new ATOM 314 N THR A 21 -22.803 8.858 -11.966 1.00 0.00 N ATOM 315 CA THR A 21 -22.064 9.686 -10.944 1.00 0.00 C ATOM 316 C THR A 21 -22.718 9.527 -9.558 1.00 0.00 C ATOM 317 O THR A 21 -22.318 10.138 -8.586 1.00 0.00 O ATOM 318 CB THR A 21 -22.169 11.136 -11.417 1.00 0.00 C ATOM 319 OG1 THR A 21 -22.162 11.172 -12.837 1.00 0.00 O ATOM 320 CG2 THR A 21 -20.988 11.944 -10.874 1.00 0.00 C ATOM 0 H THR A 21 -22.355 7.973 -12.202 1.00 0.00 H new ATOM 0 HA THR A 21 -21.024 9.372 -10.852 1.00 0.00 H new ATOM 0 HB THR A 21 -23.098 11.570 -11.048 1.00 0.00 H new ATOM 0 HG1 THR A 21 -23.064 11.374 -13.164 1.00 0.00 H new ATOM 0 HG21 THR A 21 -21.067 12.977 -11.214 1.00 0.00 H new ATOM 0 HG22 THR A 21 -21.000 11.918 -9.784 1.00 0.00 H new ATOM 0 HG23 THR A 21 -20.055 11.513 -11.237 1.00 0.00 H new ATOM 328 N LEU A 22 -23.719 8.699 -9.483 1.00 0.00 N ATOM 329 CA LEU A 22 -24.447 8.441 -8.193 1.00 0.00 C ATOM 330 C LEU A 22 -24.795 9.749 -7.477 1.00 0.00 C ATOM 331 O LEU A 22 -25.016 9.774 -6.284 1.00 0.00 O ATOM 332 CB LEU A 22 -23.491 7.576 -7.361 1.00 0.00 C ATOM 333 CG LEU A 22 -24.173 7.044 -6.085 1.00 0.00 C ATOM 334 CD1 LEU A 22 -23.865 7.973 -4.910 1.00 0.00 C ATOM 335 CD2 LEU A 22 -25.693 6.950 -6.276 1.00 0.00 C ATOM 0 H LEU A 22 -24.079 8.172 -10.279 1.00 0.00 H new ATOM 0 HA LEU A 22 -25.401 7.940 -8.358 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -23.140 6.738 -7.963 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -22.613 8.162 -7.088 1.00 0.00 H new ATOM 0 HG LEU A 22 -23.785 6.046 -5.879 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -24.349 7.594 -4.010 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -22.787 8.015 -4.752 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -24.239 8.973 -5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -26.152 6.572 -5.362 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -26.093 7.939 -6.501 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -25.915 6.272 -7.100 1.00 0.00 H new ATOM 347 N LYS A 23 -24.885 10.831 -8.196 1.00 0.00 N ATOM 348 CA LYS A 23 -25.262 12.116 -7.544 1.00 0.00 C ATOM 349 C LYS A 23 -26.789 12.198 -7.484 1.00 0.00 C ATOM 350 O LYS A 23 -27.449 12.253 -8.502 1.00 0.00 O ATOM 351 CB LYS A 23 -24.689 13.211 -8.445 1.00 0.00 C ATOM 352 CG LYS A 23 -23.470 13.840 -7.769 1.00 0.00 C ATOM 353 CD LYS A 23 -22.715 14.711 -8.776 1.00 0.00 C ATOM 354 CE LYS A 23 -21.224 14.711 -8.433 1.00 0.00 C ATOM 355 NZ LYS A 23 -20.621 15.724 -9.344 1.00 0.00 N ATOM 0 H LYS A 23 -24.715 10.883 -9.200 1.00 0.00 H new ATOM 0 HA LYS A 23 -24.881 12.212 -6.527 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -24.407 12.792 -9.411 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -25.445 13.972 -8.637 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -23.785 14.442 -6.917 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -22.813 13.060 -7.383 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -22.867 14.332 -9.787 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -23.104 15.729 -8.756 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -21.059 14.972 -7.388 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -20.783 13.727 -8.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -19.597 15.783 -9.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -20.788 15.446 -10.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -21.056 16.652 -9.168 1.00 0.00 H new ATOM 369 N GLY A 24 -27.367 12.167 -6.310 1.00 0.00 N ATOM 370 CA GLY A 24 -28.858 12.201 -6.237 1.00 0.00 C ATOM 371 C GLY A 24 -29.369 11.140 -7.207 1.00 0.00 C ATOM 372 O GLY A 24 -30.050 11.430 -8.171 1.00 0.00 O ATOM 0 H GLY A 24 -26.881 12.120 -5.414 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -29.201 11.995 -5.223 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -29.236 13.187 -6.507 1.00 0.00 H new ATOM 376 N HIS A 25 -28.985 9.914 -6.982 1.00 0.00 N ATOM 377 CA HIS A 25 -29.373 8.816 -7.911 1.00 0.00 C ATOM 378 C HIS A 25 -30.089 7.681 -7.170 1.00 0.00 C ATOM 379 O HIS A 25 -31.267 7.764 -6.880 1.00 0.00 O ATOM 380 CB HIS A 25 -28.021 8.359 -8.448 1.00 0.00 C ATOM 381 CG HIS A 25 -28.155 7.156 -9.338 1.00 0.00 C ATOM 382 ND1 HIS A 25 -27.594 5.904 -9.274 1.00 0.00 N flip ATOM 383 CD2 HIS A 25 -28.822 7.208 -10.551 1.00 0.00 C flip ATOM 384 CE1 HIS A 25 -27.892 5.205 -10.421 1.00 0.00 C flip ATOM 385 NE2 HIS A 25 -28.622 6.029 -11.165 1.00 0.00 N flip ATOM 0 H HIS A 25 -28.414 9.624 -6.188 1.00 0.00 H new ATOM 0 HA HIS A 25 -30.072 9.128 -8.687 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -27.556 9.173 -9.004 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -27.359 8.123 -7.615 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -29.395 8.040 -10.932 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -27.594 4.196 -10.666 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -28.986 5.796 -12.089 1.00 0.00 H new ATOM 393 N LYS A 26 -29.394 6.616 -6.873 1.00 0.00 N ATOM 394 CA LYS A 26 -30.038 5.476 -6.169 1.00 0.00 C ATOM 395 C LYS A 26 -31.397 5.167 -6.806 1.00 0.00 C ATOM 396 O LYS A 26 -31.485 4.433 -7.770 1.00 0.00 O ATOM 397 CB LYS A 26 -30.209 5.943 -4.724 1.00 0.00 C ATOM 398 CG LYS A 26 -28.888 5.781 -3.973 1.00 0.00 C ATOM 399 CD LYS A 26 -29.092 6.137 -2.500 1.00 0.00 C ATOM 400 CE LYS A 26 -27.804 6.743 -1.937 1.00 0.00 C ATOM 401 NZ LYS A 26 -27.124 5.615 -1.241 1.00 0.00 N ATOM 0 H LYS A 26 -28.405 6.489 -7.089 1.00 0.00 H new ATOM 0 HA LYS A 26 -29.445 4.563 -6.228 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -30.525 6.986 -4.703 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -30.991 5.363 -4.234 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -28.529 4.756 -4.064 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -28.126 6.426 -4.412 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -29.915 6.845 -2.397 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -29.365 5.246 -1.934 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -27.179 7.152 -2.731 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -28.019 7.560 -1.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -26.231 5.950 -0.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -27.740 5.251 -0.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -26.926 4.855 -1.923 1.00 0.00 H new ATOM 415 N ARG A 27 -32.457 5.721 -6.282 1.00 0.00 N ATOM 416 CA ARG A 27 -33.799 5.453 -6.874 1.00 0.00 C ATOM 417 C ARG A 27 -33.739 5.668 -8.389 1.00 0.00 C ATOM 418 O ARG A 27 -34.436 5.024 -9.148 1.00 0.00 O ATOM 419 CB ARG A 27 -34.735 6.472 -6.222 1.00 0.00 C ATOM 420 CG ARG A 27 -36.152 6.288 -6.769 1.00 0.00 C ATOM 421 CD ARG A 27 -37.167 6.804 -5.746 1.00 0.00 C ATOM 422 NE ARG A 27 -37.230 5.746 -4.699 1.00 0.00 N ATOM 423 CZ ARG A 27 -36.982 6.045 -3.453 1.00 0.00 C ATOM 424 NH1 ARG A 27 -37.544 7.089 -2.908 1.00 0.00 N ATOM 425 NH2 ARG A 27 -36.174 5.298 -2.751 1.00 0.00 N ATOM 0 H ARG A 27 -32.452 6.344 -5.474 1.00 0.00 H new ATOM 0 HA ARG A 27 -34.138 4.431 -6.702 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -34.732 6.343 -5.140 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -34.385 7.484 -6.424 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -36.262 6.827 -7.710 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -36.337 5.235 -6.981 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -36.852 7.759 -5.324 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -38.143 6.964 -6.204 1.00 0.00 H new ATOM 0 HE ARG A 27 -37.467 4.788 -4.956 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -38.177 7.672 -3.456 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -37.350 7.322 -1.934 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -35.736 4.481 -3.176 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -35.980 5.532 -1.777 1.00 0.00 H new ATOM 439 N TYR A 28 -32.898 6.563 -8.828 1.00 0.00 N ATOM 440 CA TYR A 28 -32.773 6.826 -10.290 1.00 0.00 C ATOM 441 C TYR A 28 -31.975 5.704 -10.953 1.00 0.00 C ATOM 442 O TYR A 28 -31.815 5.667 -12.157 1.00 0.00 O ATOM 443 CB TYR A 28 -32.007 8.143 -10.387 1.00 0.00 C ATOM 444 CG TYR A 28 -32.930 9.286 -10.038 1.00 0.00 C ATOM 445 CD1 TYR A 28 -33.355 9.466 -8.717 1.00 0.00 C ATOM 446 CD2 TYR A 28 -33.363 10.165 -11.039 1.00 0.00 C ATOM 447 CE1 TYR A 28 -34.214 10.523 -8.395 1.00 0.00 C ATOM 448 CE2 TYR A 28 -34.222 11.223 -10.716 1.00 0.00 C ATOM 449 CZ TYR A 28 -34.647 11.403 -9.394 1.00 0.00 C ATOM 450 OH TYR A 28 -35.494 12.445 -9.078 1.00 0.00 O ATOM 0 H TYR A 28 -32.289 7.126 -8.235 1.00 0.00 H new ATOM 0 HA TYR A 28 -33.741 6.875 -10.788 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -31.153 8.131 -9.710 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -31.613 8.274 -11.395 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -33.020 8.789 -7.945 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -33.035 10.027 -12.059 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -34.543 10.660 -7.375 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -34.557 11.901 -11.487 1.00 0.00 H new ATOM 0 HH TYR A 28 -35.696 12.960 -9.887 1.00 0.00 H new ATOM 460 N CYS A 29 -31.463 4.796 -10.172 1.00 0.00 N ATOM 461 CA CYS A 29 -30.661 3.683 -10.746 1.00 0.00 C ATOM 462 C CYS A 29 -31.551 2.689 -11.482 1.00 0.00 C ATOM 463 O CYS A 29 -32.340 1.996 -10.877 1.00 0.00 O ATOM 464 CB CYS A 29 -30.028 2.984 -9.543 1.00 0.00 C ATOM 465 SG CYS A 29 -28.679 1.926 -10.116 1.00 0.00 S ATOM 0 H CYS A 29 -31.566 4.777 -9.157 1.00 0.00 H new ATOM 0 HA CYS A 29 -29.927 4.057 -11.460 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -29.652 3.722 -8.834 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -30.775 2.389 -9.018 1.00 0.00 H new ATOM 0 HG CYS A 29 -27.547 2.393 -9.680 1.00 0.00 H new ATOM 470 N LYS A 30 -31.410 2.565 -12.769 1.00 0.00 N ATOM 471 CA LYS A 30 -32.238 1.552 -13.477 1.00 0.00 C ATOM 472 C LYS A 30 -32.034 0.211 -12.765 1.00 0.00 C ATOM 473 O LYS A 30 -32.855 -0.683 -12.826 1.00 0.00 O ATOM 474 CB LYS A 30 -31.698 1.502 -14.906 1.00 0.00 C ATOM 475 CG LYS A 30 -32.789 0.982 -15.845 1.00 0.00 C ATOM 476 CD LYS A 30 -32.268 -0.235 -16.612 1.00 0.00 C ATOM 477 CE LYS A 30 -31.640 0.222 -17.930 1.00 0.00 C ATOM 478 NZ LYS A 30 -32.757 0.211 -18.914 1.00 0.00 N ATOM 0 H LYS A 30 -30.772 3.107 -13.352 1.00 0.00 H new ATOM 0 HA LYS A 30 -33.303 1.784 -13.483 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -31.376 2.495 -15.220 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -30.823 0.854 -14.953 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -33.677 0.712 -15.273 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -33.086 1.765 -16.543 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -31.531 -0.768 -16.012 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -33.084 -0.931 -16.808 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -31.207 1.218 -17.836 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -30.837 -0.448 -18.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -32.403 0.514 -19.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -33.145 -0.751 -18.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -33.504 0.863 -18.599 1.00 0.00 H new ATOM 492 N PHE A 31 -30.930 0.094 -12.076 1.00 0.00 N ATOM 493 CA PHE A 31 -30.606 -1.149 -11.320 1.00 0.00 C ATOM 494 C PHE A 31 -30.914 -0.935 -9.835 1.00 0.00 C ATOM 495 O PHE A 31 -30.542 -1.727 -8.992 1.00 0.00 O ATOM 496 CB PHE A 31 -29.099 -1.323 -11.551 1.00 0.00 C ATOM 497 CG PHE A 31 -28.842 -1.247 -13.033 1.00 0.00 C ATOM 498 CD1 PHE A 31 -28.680 0.001 -13.645 1.00 0.00 C ATOM 499 CD2 PHE A 31 -28.784 -2.416 -13.797 1.00 0.00 C ATOM 500 CE1 PHE A 31 -28.457 0.081 -15.022 1.00 0.00 C ATOM 501 CE2 PHE A 31 -28.561 -2.338 -15.175 1.00 0.00 C ATOM 502 CZ PHE A 31 -28.397 -1.089 -15.789 1.00 0.00 C ATOM 0 H PHE A 31 -30.223 0.826 -12.005 1.00 0.00 H new ATOM 0 HA PHE A 31 -31.178 -2.022 -11.636 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -28.541 -0.546 -11.028 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -28.761 -2.280 -11.154 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -28.727 0.903 -13.053 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -28.911 -3.378 -13.323 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -28.331 1.044 -15.494 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -28.515 -3.241 -15.766 1.00 0.00 H new ATOM 0 HZ PHE A 31 -28.224 -1.029 -16.853 1.00 0.00 H new ATOM 512 N ARG A 32 -31.588 0.139 -9.512 1.00 0.00 N ATOM 513 CA ARG A 32 -31.916 0.426 -8.088 1.00 0.00 C ATOM 514 C ARG A 32 -32.436 -0.836 -7.412 1.00 0.00 C ATOM 515 O ARG A 32 -32.327 -1.012 -6.214 1.00 0.00 O ATOM 516 CB ARG A 32 -33.003 1.508 -8.129 1.00 0.00 C ATOM 517 CG ARG A 32 -34.355 0.899 -8.538 1.00 0.00 C ATOM 518 CD ARG A 32 -34.410 0.729 -10.058 1.00 0.00 C ATOM 519 NE ARG A 32 -35.710 0.054 -10.324 1.00 0.00 N ATOM 520 CZ ARG A 32 -36.564 0.585 -11.156 1.00 0.00 C ATOM 521 NH1 ARG A 32 -36.140 1.334 -12.137 1.00 0.00 N ATOM 522 NH2 ARG A 32 -37.842 0.366 -11.008 1.00 0.00 N ATOM 0 H ARG A 32 -31.926 0.832 -10.180 1.00 0.00 H new ATOM 0 HA ARG A 32 -31.045 0.758 -7.522 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -33.091 1.980 -7.151 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -32.721 2.289 -8.835 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -34.492 -0.066 -8.050 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -35.169 1.543 -8.205 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -34.355 1.692 -10.565 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -33.574 0.130 -10.419 1.00 0.00 H new ATOM 0 HE ARG A 32 -35.933 -0.824 -9.856 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -35.141 1.504 -12.254 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -36.807 1.749 -12.787 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -38.174 -0.220 -10.242 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -38.509 0.781 -11.658 1.00 0.00 H new ATOM 536 N TYR A 33 -33.010 -1.712 -8.179 1.00 0.00 N ATOM 537 CA TYR A 33 -33.554 -2.971 -7.598 1.00 0.00 C ATOM 538 C TYR A 33 -33.010 -4.187 -8.352 1.00 0.00 C ATOM 539 O TYR A 33 -33.461 -5.299 -8.159 1.00 0.00 O ATOM 540 CB TYR A 33 -35.069 -2.864 -7.770 1.00 0.00 C ATOM 541 CG TYR A 33 -35.603 -1.781 -6.862 1.00 0.00 C ATOM 542 CD1 TYR A 33 -35.119 -1.662 -5.552 1.00 0.00 C ATOM 543 CD2 TYR A 33 -36.581 -0.894 -7.329 1.00 0.00 C ATOM 544 CE1 TYR A 33 -35.614 -0.658 -4.712 1.00 0.00 C ATOM 545 CE2 TYR A 33 -37.075 0.111 -6.488 1.00 0.00 C ATOM 546 CZ TYR A 33 -36.591 0.228 -5.179 1.00 0.00 C ATOM 547 OH TYR A 33 -37.078 1.218 -4.350 1.00 0.00 O ATOM 0 H TYR A 33 -33.128 -1.613 -9.187 1.00 0.00 H new ATOM 0 HA TYR A 33 -33.270 -3.098 -6.553 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -35.313 -2.637 -8.808 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -35.541 -3.818 -7.533 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -34.364 -2.345 -5.191 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -36.954 -0.985 -8.338 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -35.241 -0.567 -3.702 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -37.829 0.795 -6.849 1.00 0.00 H new ATOM 0 HH TYR A 33 -37.749 1.746 -4.831 1.00 0.00 H new ATOM 557 N CYS A 34 -32.037 -3.992 -9.200 1.00 0.00 N ATOM 558 CA CYS A 34 -31.471 -5.148 -9.946 1.00 0.00 C ATOM 559 C CYS A 34 -31.086 -6.252 -8.961 1.00 0.00 C ATOM 560 O CYS A 34 -31.078 -6.051 -7.762 1.00 0.00 O ATOM 561 CB CYS A 34 -30.224 -4.610 -10.648 1.00 0.00 C ATOM 562 SG CYS A 34 -29.552 -5.885 -11.735 1.00 0.00 S ATOM 0 H CYS A 34 -31.613 -3.088 -9.407 1.00 0.00 H new ATOM 0 HA CYS A 34 -32.182 -5.569 -10.657 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -30.473 -3.719 -11.225 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -29.477 -4.314 -9.911 1.00 0.00 H new ATOM 0 HG CYS A 34 -28.534 -5.407 -12.388 1.00 0.00 H new ATOM 567 N THR A 35 -30.766 -7.416 -9.449 1.00 0.00 N ATOM 568 CA THR A 35 -30.384 -8.525 -8.530 1.00 0.00 C ATOM 569 C THR A 35 -29.240 -9.355 -9.122 1.00 0.00 C ATOM 570 O THR A 35 -28.815 -10.333 -8.539 1.00 0.00 O ATOM 571 CB THR A 35 -31.646 -9.378 -8.393 1.00 0.00 C ATOM 572 OG1 THR A 35 -32.189 -9.626 -9.683 1.00 0.00 O ATOM 573 CG2 THR A 35 -32.676 -8.640 -7.537 1.00 0.00 C ATOM 0 H THR A 35 -30.752 -7.649 -10.442 1.00 0.00 H new ATOM 0 HA THR A 35 -30.031 -8.151 -7.569 1.00 0.00 H new ATOM 0 HB THR A 35 -31.394 -10.325 -7.915 1.00 0.00 H new ATOM 0 HG1 THR A 35 -32.997 -10.174 -9.598 1.00 0.00 H new ATOM 0 HG21 THR A 35 -33.574 -9.250 -7.441 1.00 0.00 H new ATOM 0 HG22 THR A 35 -32.259 -8.451 -6.548 1.00 0.00 H new ATOM 0 HG23 THR A 35 -32.931 -7.692 -8.011 1.00 0.00 H new ATOM 581 N CYS A 36 -28.726 -8.982 -10.267 1.00 0.00 N ATOM 582 CA CYS A 36 -27.606 -9.772 -10.855 1.00 0.00 C ATOM 583 C CYS A 36 -26.531 -9.992 -9.776 1.00 0.00 C ATOM 584 O CYS A 36 -26.653 -9.504 -8.668 1.00 0.00 O ATOM 585 CB CYS A 36 -27.078 -8.938 -12.023 1.00 0.00 C ATOM 586 SG CYS A 36 -26.137 -7.537 -11.399 1.00 0.00 S ATOM 0 H CYS A 36 -29.029 -8.175 -10.813 1.00 0.00 H new ATOM 0 HA CYS A 36 -27.915 -10.757 -11.205 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -26.448 -9.553 -12.665 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -27.909 -8.586 -12.635 1.00 0.00 H new ATOM 0 HG CYS A 36 -26.297 -6.519 -12.192 1.00 0.00 H new ATOM 591 N GLU A 37 -25.495 -10.730 -10.067 1.00 0.00 N ATOM 592 CA GLU A 37 -24.450 -10.983 -9.024 1.00 0.00 C ATOM 593 C GLU A 37 -23.394 -9.871 -8.994 1.00 0.00 C ATOM 594 O GLU A 37 -22.475 -9.900 -8.199 1.00 0.00 O ATOM 595 CB GLU A 37 -23.816 -12.315 -9.425 1.00 0.00 C ATOM 596 CG GLU A 37 -22.929 -12.823 -8.287 1.00 0.00 C ATOM 597 CD GLU A 37 -22.881 -14.352 -8.326 1.00 0.00 C ATOM 598 OE1 GLU A 37 -23.482 -14.921 -9.221 1.00 0.00 O ATOM 599 OE2 GLU A 37 -22.244 -14.927 -7.459 1.00 0.00 O ATOM 0 H GLU A 37 -25.324 -11.167 -10.973 1.00 0.00 H new ATOM 0 HA GLU A 37 -24.882 -11.007 -8.024 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -24.593 -13.046 -9.649 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -23.225 -12.190 -10.332 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -21.923 -12.414 -8.384 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -23.320 -12.484 -7.327 1.00 0.00 H new ATOM 606 N LYS A 38 -23.529 -8.879 -9.825 1.00 0.00 N ATOM 607 CA LYS A 38 -22.540 -7.761 -9.818 1.00 0.00 C ATOM 608 C LYS A 38 -23.150 -6.587 -9.062 1.00 0.00 C ATOM 609 O LYS A 38 -22.468 -5.697 -8.597 1.00 0.00 O ATOM 610 CB LYS A 38 -22.322 -7.407 -11.289 1.00 0.00 C ATOM 611 CG LYS A 38 -20.867 -6.989 -11.504 1.00 0.00 C ATOM 612 CD LYS A 38 -20.004 -8.232 -11.734 1.00 0.00 C ATOM 613 CE LYS A 38 -18.525 -7.857 -11.627 1.00 0.00 C ATOM 614 NZ LYS A 38 -18.045 -7.781 -13.035 1.00 0.00 N ATOM 0 H LYS A 38 -24.280 -8.791 -10.510 1.00 0.00 H new ATOM 0 HA LYS A 38 -21.597 -8.020 -9.336 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -22.562 -8.263 -11.919 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -22.991 -6.598 -11.582 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -20.793 -6.319 -12.361 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -20.504 -6.438 -10.636 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -20.249 -8.998 -10.999 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -20.212 -8.655 -12.717 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -18.395 -6.904 -11.114 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -17.968 -8.603 -11.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -17.036 -7.528 -13.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -18.175 -8.704 -13.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -18.588 -7.058 -13.548 1.00 0.00 H new ATOM 628 N CYS A 39 -24.442 -6.614 -8.914 1.00 0.00 N ATOM 629 CA CYS A 39 -25.145 -5.551 -8.167 1.00 0.00 C ATOM 630 C CYS A 39 -25.207 -5.994 -6.710 1.00 0.00 C ATOM 631 O CYS A 39 -24.905 -5.250 -5.798 1.00 0.00 O ATOM 632 CB CYS A 39 -26.543 -5.520 -8.768 1.00 0.00 C ATOM 633 SG CYS A 39 -26.646 -4.228 -10.026 1.00 0.00 S ATOM 0 H CYS A 39 -25.048 -7.344 -9.288 1.00 0.00 H new ATOM 0 HA CYS A 39 -24.667 -4.573 -8.222 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -26.780 -6.488 -9.209 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -27.280 -5.337 -7.986 1.00 0.00 H new ATOM 0 HG CYS A 39 -27.559 -4.542 -10.896 1.00 0.00 H new ATOM 638 N ARG A 40 -25.567 -7.235 -6.497 1.00 0.00 N ATOM 639 CA ARG A 40 -25.613 -7.767 -5.112 1.00 0.00 C ATOM 640 C ARG A 40 -24.180 -7.842 -4.604 1.00 0.00 C ATOM 641 O ARG A 40 -23.898 -7.633 -3.441 1.00 0.00 O ATOM 642 CB ARG A 40 -26.221 -9.165 -5.234 1.00 0.00 C ATOM 643 CG ARG A 40 -27.726 -9.094 -4.969 1.00 0.00 C ATOM 644 CD ARG A 40 -28.433 -10.219 -5.731 1.00 0.00 C ATOM 645 NE ARG A 40 -28.886 -11.171 -4.680 1.00 0.00 N ATOM 646 CZ ARG A 40 -30.004 -10.954 -4.042 1.00 0.00 C ATOM 647 NH1 ARG A 40 -31.081 -10.628 -4.702 1.00 0.00 N ATOM 648 NH2 ARG A 40 -30.045 -11.062 -2.741 1.00 0.00 N ATOM 0 H ARG A 40 -25.830 -7.898 -7.226 1.00 0.00 H new ATOM 0 HA ARG A 40 -26.195 -7.154 -4.424 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -26.035 -9.568 -6.230 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -25.748 -9.842 -4.523 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -27.922 -9.185 -3.901 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -28.116 -8.126 -5.284 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -29.276 -9.837 -6.307 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -27.758 -10.703 -6.437 1.00 0.00 H new ATOM 0 HE ARG A 40 -28.323 -11.992 -4.459 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -31.050 -10.542 -5.718 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -31.954 -10.459 -4.202 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -29.203 -11.316 -2.224 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -30.919 -10.892 -2.242 1.00 0.00 H new