USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 599 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 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 89 SER OG : rot -48:sc= -0.0899 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -34:sc= 0.285 USER MOD Single : A 21 CYS SG : rot 100:sc= -1.6 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= -0.0608 F(o=-0.92,f=-0.061) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.123 F(o=-1.5,f=-0.12) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -110:sc= -3.55! USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 44 ASN : amide:sc= -2.92 K(o=-2.9,f=-12!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.129 USER MOD Single : A 53 LYS NZ :NH3+ -132:sc= -0.493 (180deg=-2.39!) USER MOD Single : A 57 ASN : amide:sc= -2.82! C(o=-2.8!,f=-2.7!) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0301 USER MOD Single : A 64 SER OG : rot 140:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.016) USER MOD Single : A 73 CYS SG : rot 81:sc= -1.68 USER MOD Single : A 74 ASN : amide:sc= -0.168 K(o=-0.17,f=-2.2!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= -2.73! C(o=-2.7!,f=-3!) USER MOD Single : A 83 GLN : amide:sc= -0.49 K(o=-0.49,f=-4.1!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 161 N PRO A 15 -1.108 10.180 -10.127 1.00 0.00 N ATOM 162 CA PRO A 15 -2.168 9.701 -9.235 1.00 0.00 C ATOM 163 C PRO A 15 -1.849 8.335 -8.636 1.00 0.00 C ATOM 164 O PRO A 15 -2.657 7.762 -7.905 1.00 0.00 O ATOM 165 CB PRO A 15 -3.390 9.609 -10.154 1.00 0.00 C ATOM 166 CG PRO A 15 -2.824 9.422 -11.519 1.00 0.00 C ATOM 167 CD PRO A 15 -1.528 10.185 -11.539 1.00 0.00 C ATOM 0 HA PRO A 15 -2.309 10.361 -8.379 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.034 8.775 -9.875 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.997 10.513 -10.097 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.658 8.366 -11.731 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.509 9.796 -12.280 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.789 9.705 -12.180 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.664 11.199 -11.914 1.00 0.00 H new ATOM 175 N THR A 16 -0.665 7.818 -8.951 1.00 0.00 N ATOM 176 CA THR A 16 -0.239 6.520 -8.444 1.00 0.00 C ATOM 177 C THR A 16 1.012 6.649 -7.582 1.00 0.00 C ATOM 178 O THR A 16 1.929 7.400 -7.912 1.00 0.00 O ATOM 179 CB THR A 16 0.042 5.533 -9.593 1.00 0.00 C ATOM 180 OG1 THR A 16 1.055 6.063 -10.456 1.00 0.00 O ATOM 181 CG2 THR A 16 -1.222 5.260 -10.394 1.00 0.00 C ATOM 0 H THR A 16 0.016 8.279 -9.555 1.00 0.00 H new ATOM 0 HA THR A 16 -1.057 6.135 -7.836 1.00 0.00 H new ATOM 0 HB THR A 16 0.388 4.594 -9.160 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.230 5.430 -11.183 1.00 0.00 H new ATOM 0 HG21 THR A 16 -0.998 4.561 -11.199 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.981 4.830 -9.741 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.594 6.193 -10.817 1.00 0.00 H new ATOM 189 N LEU A 17 1.042 5.913 -6.477 1.00 0.00 N ATOM 190 CA LEU A 17 2.181 5.945 -5.567 1.00 0.00 C ATOM 191 C LEU A 17 2.596 4.533 -5.165 1.00 0.00 C ATOM 192 O LEU A 17 1.765 3.645 -4.976 1.00 0.00 O ATOM 193 CB LEU A 17 1.842 6.764 -4.320 1.00 0.00 C ATOM 194 CG LEU A 17 1.216 8.131 -4.596 1.00 0.00 C ATOM 195 CD1 LEU A 17 0.674 8.740 -3.312 1.00 0.00 C ATOM 196 CD2 LEU A 17 2.232 9.062 -5.240 1.00 0.00 C ATOM 0 H LEU A 17 0.290 5.286 -6.189 1.00 0.00 H new ATOM 0 HA LEU A 17 3.016 6.416 -6.086 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.157 6.186 -3.699 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.753 6.909 -3.740 1.00 0.00 H new ATOM 0 HG LEU A 17 0.385 7.995 -5.289 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.232 9.713 -3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.086 8.082 -2.890 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.487 8.862 -2.596 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.769 10.030 -5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 17 3.083 9.191 -4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.573 8.633 -6.182 1.00 0.00 H new ATOM 208 N PRO A 18 3.914 4.320 -5.031 1.00 0.00 N ATOM 209 CA PRO A 18 4.470 3.018 -4.650 1.00 0.00 C ATOM 210 C PRO A 18 4.165 2.660 -3.199 1.00 0.00 C ATOM 211 O PRO A 18 4.536 3.388 -2.278 1.00 0.00 O ATOM 212 CB PRO A 18 5.976 3.204 -4.849 1.00 0.00 C ATOM 213 CG PRO A 18 6.200 4.670 -4.704 1.00 0.00 C ATOM 214 CD PRO A 18 4.962 5.333 -5.241 1.00 0.00 C ATOM 0 HA PRO A 18 4.045 2.205 -5.239 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.545 2.642 -4.109 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.292 2.851 -5.830 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.365 4.938 -3.660 1.00 0.00 H new ATOM 0 HG3 PRO A 18 7.084 4.986 -5.258 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.739 6.258 -4.709 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.068 5.589 -6.295 1.00 0.00 H new ATOM 222 N VAL A 19 3.487 1.533 -3.003 1.00 0.00 N ATOM 223 CA VAL A 19 3.134 1.078 -1.664 1.00 0.00 C ATOM 224 C VAL A 19 3.616 -0.349 -1.424 1.00 0.00 C ATOM 225 O VAL A 19 3.668 -1.162 -2.347 1.00 0.00 O ATOM 226 CB VAL A 19 1.612 1.140 -1.433 1.00 0.00 C ATOM 227 CG1 VAL A 19 1.121 2.578 -1.497 1.00 0.00 C ATOM 228 CG2 VAL A 19 0.884 0.273 -2.449 1.00 0.00 C ATOM 0 H VAL A 19 3.172 0.919 -3.754 1.00 0.00 H new ATOM 0 HA VAL A 19 3.628 1.749 -0.961 1.00 0.00 H new ATOM 0 HB VAL A 19 1.396 0.752 -0.438 1.00 0.00 H new ATOM 0 HG11 VAL A 19 0.044 2.602 -1.332 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.620 3.167 -0.728 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.347 2.996 -2.478 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.190 0.328 -2.271 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.104 0.629 -3.455 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.215 -0.761 -2.349 1.00 0.00 H new ATOM 238 N THR A 20 3.966 -0.647 -0.176 1.00 0.00 N ATOM 239 CA THR A 20 4.444 -1.976 0.186 1.00 0.00 C ATOM 240 C THR A 20 4.018 -2.346 1.602 1.00 0.00 C ATOM 241 O THR A 20 4.180 -1.560 2.535 1.00 0.00 O ATOM 242 CB THR A 20 5.979 -2.068 0.084 1.00 0.00 C ATOM 243 OG1 THR A 20 6.583 -0.986 0.801 1.00 0.00 O ATOM 244 CG2 THR A 20 6.427 -2.033 -1.369 1.00 0.00 C ATOM 0 H THR A 20 3.927 0.014 0.600 1.00 0.00 H new ATOM 0 HA THR A 20 3.997 -2.676 -0.520 1.00 0.00 H new ATOM 0 HB THR A 20 6.295 -3.015 0.522 1.00 0.00 H new ATOM 0 HG1 THR A 20 6.016 -0.190 0.730 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.514 -2.099 -1.416 1.00 0.00 H new ATOM 0 HG22 THR A 20 5.989 -2.875 -1.905 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.100 -1.100 -1.828 1.00 0.00 H new ATOM 252 N CYS A 21 3.472 -3.548 1.754 1.00 0.00 N ATOM 253 CA CYS A 21 3.021 -4.023 3.058 1.00 0.00 C ATOM 254 C CYS A 21 3.577 -5.412 3.352 1.00 0.00 C ATOM 255 O CYS A 21 3.081 -6.412 2.834 1.00 0.00 O ATOM 256 CB CYS A 21 1.493 -4.049 3.114 1.00 0.00 C ATOM 257 SG CYS A 21 0.820 -4.357 4.763 1.00 0.00 S ATOM 0 H CYS A 21 3.331 -4.211 0.992 1.00 0.00 H new ATOM 0 HA CYS A 21 3.393 -3.335 3.817 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.111 -3.096 2.749 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.128 -4.819 2.435 1.00 0.00 H new ATOM 0 HG CYS A 21 0.451 -3.231 5.298 1.00 0.00 H new ATOM 263 N GLY A 22 4.611 -5.466 4.186 1.00 0.00 N ATOM 264 CA GLY A 22 5.218 -6.738 4.533 1.00 0.00 C ATOM 265 C GLY A 22 5.646 -7.528 3.312 1.00 0.00 C ATOM 266 O GLY A 22 6.612 -7.170 2.638 1.00 0.00 O ATOM 0 H GLY A 22 5.039 -4.652 4.627 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.085 -6.562 5.170 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.510 -7.329 5.114 1.00 0.00 H new ATOM 270 N LYS A 23 4.928 -8.609 3.028 1.00 0.00 N ATOM 271 CA LYS A 23 5.237 -9.454 1.880 1.00 0.00 C ATOM 272 C LYS A 23 4.357 -9.096 0.687 1.00 0.00 C ATOM 273 O LYS A 23 4.232 -9.873 -0.259 1.00 0.00 O ATOM 274 CB LYS A 23 5.049 -10.929 2.242 1.00 0.00 C ATOM 275 CG LYS A 23 5.538 -11.281 3.636 1.00 0.00 C ATOM 276 CD LYS A 23 7.053 -11.206 3.731 1.00 0.00 C ATOM 277 CE LYS A 23 7.533 -11.414 5.159 1.00 0.00 C ATOM 278 NZ LYS A 23 7.612 -10.130 5.910 1.00 0.00 N ATOM 0 H LYS A 23 4.127 -8.921 3.577 1.00 0.00 H new ATOM 0 HA LYS A 23 6.278 -9.283 1.605 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.992 -11.182 2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.579 -11.543 1.514 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.093 -10.600 4.361 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.205 -12.286 3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.497 -11.962 3.083 1.00 0.00 H new ATOM 0 HD3 LYS A 23 7.394 -10.236 3.369 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.856 -12.095 5.674 1.00 0.00 H new ATOM 0 HE3 LYS A 23 8.514 -11.889 5.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.943 -10.314 6.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.278 -9.489 5.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.671 -9.689 5.944 1.00 0.00 H new ATOM 292 N ALA A 24 3.751 -7.915 0.739 1.00 0.00 N ATOM 293 CA ALA A 24 2.885 -7.452 -0.339 1.00 0.00 C ATOM 294 C ALA A 24 3.449 -6.196 -0.995 1.00 0.00 C ATOM 295 O ALA A 24 3.964 -5.307 -0.317 1.00 0.00 O ATOM 296 CB ALA A 24 1.481 -7.192 0.186 1.00 0.00 C ATOM 0 H ALA A 24 3.843 -7.261 1.516 1.00 0.00 H new ATOM 0 HA ALA A 24 2.838 -8.235 -1.096 1.00 0.00 H new ATOM 0 HB1 ALA A 24 0.846 -6.847 -0.630 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.071 -8.113 0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.519 -6.429 0.964 1.00 0.00 H new ATOM 302 N LYS A 25 3.348 -6.129 -2.318 1.00 0.00 N ATOM 303 CA LYS A 25 3.847 -4.982 -3.067 1.00 0.00 C ATOM 304 C LYS A 25 2.889 -4.609 -4.193 1.00 0.00 C ATOM 305 O LYS A 25 2.403 -5.474 -4.920 1.00 0.00 O ATOM 306 CB LYS A 25 5.233 -5.285 -3.642 1.00 0.00 C ATOM 307 CG LYS A 25 6.245 -5.716 -2.594 1.00 0.00 C ATOM 308 CD LYS A 25 7.657 -5.724 -3.153 1.00 0.00 C ATOM 309 CE LYS A 25 7.893 -6.924 -4.058 1.00 0.00 C ATOM 310 NZ LYS A 25 9.198 -6.835 -4.769 1.00 0.00 N ATOM 0 H LYS A 25 2.925 -6.856 -2.894 1.00 0.00 H new ATOM 0 HA LYS A 25 3.921 -4.138 -2.382 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.142 -6.071 -4.392 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.607 -4.398 -4.153 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.195 -5.041 -1.739 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.991 -6.711 -2.230 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.833 -4.805 -3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.374 -5.740 -2.332 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.865 -7.838 -3.464 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.086 -6.993 -4.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.321 -7.671 -5.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.216 -5.976 -5.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.970 -6.795 -4.074 1.00 0.00 H new ATOM 324 N GLY A 26 2.622 -3.314 -4.333 1.00 0.00 N ATOM 325 CA GLY A 26 1.723 -2.849 -5.374 1.00 0.00 C ATOM 326 C GLY A 26 1.788 -1.347 -5.568 1.00 0.00 C ATOM 327 O GLY A 26 2.845 -0.737 -5.406 1.00 0.00 O ATOM 0 H GLY A 26 3.012 -2.578 -3.744 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.972 -3.345 -6.312 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.702 -3.136 -5.123 1.00 0.00 H new ATOM 331 N THR A 27 0.654 -0.748 -5.917 1.00 0.00 N ATOM 332 CA THR A 27 0.586 0.691 -6.137 1.00 0.00 C ATOM 333 C THR A 27 -0.788 1.239 -5.770 1.00 0.00 C ATOM 334 O THR A 27 -1.813 0.640 -6.095 1.00 0.00 O ATOM 335 CB THR A 27 0.896 1.051 -7.602 1.00 0.00 C ATOM 336 OG1 THR A 27 2.235 0.662 -7.930 1.00 0.00 O ATOM 337 CG2 THR A 27 0.724 2.544 -7.840 1.00 0.00 C ATOM 0 H THR A 27 -0.230 -1.238 -6.053 1.00 0.00 H new ATOM 0 HA THR A 27 1.339 1.145 -5.493 1.00 0.00 H new ATOM 0 HB THR A 27 0.195 0.514 -8.241 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.423 0.893 -8.864 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.948 2.775 -8.881 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.304 2.832 -7.618 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.404 3.097 -7.191 1.00 0.00 H new ATOM 345 N LEU A 28 -0.803 2.382 -5.093 1.00 0.00 N ATOM 346 CA LEU A 28 -2.053 3.012 -4.683 1.00 0.00 C ATOM 347 C LEU A 28 -2.474 4.086 -5.680 1.00 0.00 C ATOM 348 O LEU A 28 -1.658 4.899 -6.116 1.00 0.00 O ATOM 349 CB LEU A 28 -1.906 3.624 -3.288 1.00 0.00 C ATOM 350 CG LEU A 28 -3.091 4.470 -2.824 1.00 0.00 C ATOM 351 CD1 LEU A 28 -4.104 3.611 -2.083 1.00 0.00 C ATOM 352 CD2 LEU A 28 -2.616 5.615 -1.942 1.00 0.00 C ATOM 0 H LEU A 28 0.036 2.891 -4.816 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.826 2.244 -4.656 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.750 2.819 -2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.009 4.243 -3.272 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.577 4.892 -3.704 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.940 4.231 -1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.469 2.826 -2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.630 3.160 -1.211 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.473 6.207 -1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.105 5.213 -1.067 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.929 6.247 -2.505 1.00 0.00 H new ATOM 364 N PHE A 29 -3.754 4.085 -6.038 1.00 0.00 N ATOM 365 CA PHE A 29 -4.284 5.058 -6.985 1.00 0.00 C ATOM 366 C PHE A 29 -5.233 6.031 -6.291 1.00 0.00 C ATOM 367 O PHE A 29 -6.386 5.698 -6.016 1.00 0.00 O ATOM 368 CB PHE A 29 -5.011 4.346 -8.128 1.00 0.00 C ATOM 369 CG PHE A 29 -4.099 3.541 -9.009 1.00 0.00 C ATOM 370 CD1 PHE A 29 -3.332 2.515 -8.481 1.00 0.00 C ATOM 371 CD2 PHE A 29 -4.010 3.810 -10.365 1.00 0.00 C ATOM 372 CE1 PHE A 29 -2.492 1.773 -9.290 1.00 0.00 C ATOM 373 CE2 PHE A 29 -3.171 3.071 -11.179 1.00 0.00 C ATOM 374 CZ PHE A 29 -2.412 2.051 -10.640 1.00 0.00 C ATOM 0 H PHE A 29 -4.443 3.421 -5.686 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.447 5.624 -7.393 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.773 3.688 -7.710 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.529 5.087 -8.736 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.391 2.293 -7.426 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.603 4.606 -10.791 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -1.899 0.976 -8.866 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -3.110 3.291 -12.235 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.757 1.472 -11.274 1.00 0.00 H new ATOM 384 N GLN A 30 -4.739 7.232 -6.012 1.00 0.00 N ATOM 385 CA GLN A 30 -5.543 8.253 -5.349 1.00 0.00 C ATOM 386 C GLN A 30 -6.927 8.352 -5.981 1.00 0.00 C ATOM 387 O GLN A 30 -7.904 8.678 -5.309 1.00 0.00 O ATOM 388 CB GLN A 30 -4.840 9.609 -5.417 1.00 0.00 C ATOM 389 CG GLN A 30 -3.324 9.514 -5.340 1.00 0.00 C ATOM 390 CD GLN A 30 -2.679 10.813 -4.899 1.00 0.00 C ATOM 391 OE1 GLN A 30 -2.373 10.914 -3.611 1.00 0.00 O flip ATOM 392 NE2 GLN A 30 -2.459 11.716 -5.707 1.00 0.00 N flip ATOM 0 H GLN A 30 -3.787 7.523 -6.234 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.661 7.965 -4.304 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.118 10.107 -6.346 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.198 10.236 -4.600 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.048 8.722 -4.644 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.932 9.231 -6.317 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.711 11.595 -6.688 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.025 12.585 -5.395 1.00 0.00 H new ATOM 401 N GLU A 31 -7.001 8.068 -7.278 1.00 0.00 N ATOM 402 CA GLU A 31 -8.266 8.126 -8.001 1.00 0.00 C ATOM 403 C GLU A 31 -9.201 7.006 -7.554 1.00 0.00 C ATOM 404 O GLU A 31 -10.396 7.222 -7.351 1.00 0.00 O ATOM 405 CB GLU A 31 -8.023 8.032 -9.508 1.00 0.00 C ATOM 406 CG GLU A 31 -7.227 6.805 -9.920 1.00 0.00 C ATOM 407 CD GLU A 31 -7.112 6.662 -11.426 1.00 0.00 C ATOM 408 OE1 GLU A 31 -8.160 6.685 -12.105 1.00 0.00 O ATOM 409 OE2 GLU A 31 -5.975 6.528 -11.924 1.00 0.00 O ATOM 0 H GLU A 31 -6.201 7.796 -7.849 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.739 9.082 -7.776 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -8.984 8.021 -10.023 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.494 8.926 -9.839 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.228 6.862 -9.487 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.702 5.914 -9.509 1.00 0.00 H new ATOM 416 N LYS A 32 -8.647 5.807 -7.403 1.00 0.00 N ATOM 417 CA LYS A 32 -9.429 4.651 -6.980 1.00 0.00 C ATOM 418 C LYS A 32 -9.538 4.595 -5.460 1.00 0.00 C ATOM 419 O LYS A 32 -10.264 3.768 -4.910 1.00 0.00 O ATOM 420 CB LYS A 32 -8.794 3.361 -7.504 1.00 0.00 C ATOM 421 CG LYS A 32 -9.219 3.004 -8.918 1.00 0.00 C ATOM 422 CD LYS A 32 -8.134 2.232 -9.649 1.00 0.00 C ATOM 423 CE LYS A 32 -8.591 1.806 -11.036 1.00 0.00 C ATOM 424 NZ LYS A 32 -9.395 0.553 -10.995 1.00 0.00 N ATOM 0 H LYS A 32 -7.660 5.611 -7.567 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.432 4.750 -7.395 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.709 3.462 -7.474 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.056 2.540 -6.837 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.131 2.408 -8.885 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.453 3.915 -9.469 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.240 2.850 -9.733 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.859 1.351 -9.069 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.184 2.603 -11.484 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.721 1.658 -11.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.687 0.296 -11.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -8.821 -0.215 -10.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.239 0.701 -10.405 1.00 0.00 H new ATOM 438 N LEU A 33 -8.812 5.481 -4.786 1.00 0.00 N ATOM 439 CA LEU A 33 -8.828 5.533 -3.328 1.00 0.00 C ATOM 440 C LEU A 33 -9.768 6.628 -2.834 1.00 0.00 C ATOM 441 O LEU A 33 -10.496 6.444 -1.858 1.00 0.00 O ATOM 442 CB LEU A 33 -7.416 5.775 -2.790 1.00 0.00 C ATOM 443 CG LEU A 33 -7.300 5.801 -1.266 1.00 0.00 C ATOM 444 CD1 LEU A 33 -7.448 4.399 -0.695 1.00 0.00 C ATOM 445 CD2 LEU A 33 -5.973 6.413 -0.844 1.00 0.00 C ATOM 0 H LEU A 33 -8.205 6.173 -5.226 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.190 4.574 -2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.758 4.996 -3.176 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.052 6.724 -3.183 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.106 6.419 -0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.363 4.438 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.423 3.996 -0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.664 3.757 -1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.907 6.424 0.244 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.153 5.821 -1.251 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.906 7.433 -1.222 1.00 0.00 H new ATOM 457 N LYS A 34 -9.748 7.769 -3.514 1.00 0.00 N ATOM 458 CA LYS A 34 -10.597 8.895 -3.147 1.00 0.00 C ATOM 459 C LYS A 34 -12.051 8.455 -2.999 1.00 0.00 C ATOM 460 O LYS A 34 -12.792 8.996 -2.179 1.00 0.00 O ATOM 461 CB LYS A 34 -10.493 10.003 -4.197 1.00 0.00 C ATOM 462 CG LYS A 34 -10.802 9.535 -5.608 1.00 0.00 C ATOM 463 CD LYS A 34 -11.432 10.641 -6.438 1.00 0.00 C ATOM 464 CE LYS A 34 -12.885 10.869 -6.051 1.00 0.00 C ATOM 465 NZ LYS A 34 -13.456 12.070 -6.722 1.00 0.00 N ATOM 0 H LYS A 34 -9.152 7.938 -4.324 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.252 9.279 -2.187 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.178 10.808 -3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.486 10.420 -4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.884 9.196 -6.089 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.476 8.679 -5.569 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.869 11.565 -6.303 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.372 10.383 -7.495 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.474 9.991 -6.316 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -12.959 10.988 -4.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.447 12.191 -6.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.910 12.912 -6.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.409 11.946 -7.754 1.00 0.00 H new ATOM 479 N GLN A 35 -12.449 7.470 -3.798 1.00 0.00 N ATOM 480 CA GLN A 35 -13.814 6.957 -3.754 1.00 0.00 C ATOM 481 C GLN A 35 -14.082 6.233 -2.439 1.00 0.00 C ATOM 482 O GLN A 35 -15.156 6.364 -1.854 1.00 0.00 O ATOM 483 CB GLN A 35 -14.064 6.012 -4.931 1.00 0.00 C ATOM 484 CG GLN A 35 -13.893 6.673 -6.289 1.00 0.00 C ATOM 485 CD GLN A 35 -14.182 5.728 -7.438 1.00 0.00 C ATOM 486 OE1 GLN A 35 -15.292 5.005 -7.346 1.00 0.00 O flip ATOM 487 NE2 GLN A 35 -13.416 5.648 -8.399 1.00 0.00 N flip ATOM 0 H GLN A 35 -11.847 7.012 -4.482 1.00 0.00 H new ATOM 0 HA GLN A 35 -14.496 7.804 -3.826 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.380 5.167 -4.859 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.075 5.611 -4.856 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.558 7.534 -6.356 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.874 7.049 -6.380 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -12.574 6.222 -8.429 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -13.624 5.007 -9.165 1.00 0.00 H new ATOM 496 N GLY A 36 -13.096 5.467 -1.979 1.00 0.00 N ATOM 497 CA GLY A 36 -13.246 4.733 -0.736 1.00 0.00 C ATOM 498 C GLY A 36 -12.219 3.628 -0.589 1.00 0.00 C ATOM 499 O GLY A 36 -12.121 2.745 -1.440 1.00 0.00 O ATOM 0 H GLY A 36 -12.197 5.342 -2.445 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.156 5.423 0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.247 4.304 -0.689 1.00 0.00 H new ATOM 503 N ALA A 37 -11.450 3.678 0.494 1.00 0.00 N ATOM 504 CA ALA A 37 -10.425 2.673 0.750 1.00 0.00 C ATOM 505 C ALA A 37 -10.953 1.269 0.476 1.00 0.00 C ATOM 506 O ALA A 37 -10.244 0.425 -0.072 1.00 0.00 O ATOM 507 CB ALA A 37 -9.926 2.782 2.183 1.00 0.00 C ATOM 0 H ALA A 37 -11.517 4.403 1.208 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.592 2.858 0.072 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.161 2.026 2.360 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.502 3.773 2.346 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -10.757 2.626 2.871 1.00 0.00 H new ATOM 513 N SER A 38 -12.201 1.025 0.862 1.00 0.00 N ATOM 514 CA SER A 38 -12.822 -0.279 0.663 1.00 0.00 C ATOM 515 C SER A 38 -12.651 -0.747 -0.780 1.00 0.00 C ATOM 516 O SER A 38 -12.444 -1.932 -1.040 1.00 0.00 O ATOM 517 CB SER A 38 -14.309 -0.219 1.018 1.00 0.00 C ATOM 518 OG SER A 38 -14.973 -1.412 0.638 1.00 0.00 O ATOM 0 H SER A 38 -12.802 1.714 1.315 1.00 0.00 H new ATOM 0 HA SER A 38 -12.327 -0.994 1.320 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.424 -0.061 2.090 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.771 0.633 0.519 1.00 0.00 H new ATOM 0 HG SER A 38 -15.921 -1.349 0.877 1.00 0.00 H new ATOM 524 N LYS A 39 -12.740 0.193 -1.714 1.00 0.00 N ATOM 525 CA LYS A 39 -12.595 -0.120 -3.131 1.00 0.00 C ATOM 526 C LYS A 39 -11.162 -0.534 -3.452 1.00 0.00 C ATOM 527 O LYS A 39 -10.208 0.000 -2.885 1.00 0.00 O ATOM 528 CB LYS A 39 -12.992 1.087 -3.984 1.00 0.00 C ATOM 529 CG LYS A 39 -14.471 1.423 -3.911 1.00 0.00 C ATOM 530 CD LYS A 39 -14.972 2.020 -5.215 1.00 0.00 C ATOM 531 CE LYS A 39 -16.292 2.752 -5.023 1.00 0.00 C ATOM 532 NZ LYS A 39 -17.442 1.809 -4.943 1.00 0.00 N ATOM 0 H LYS A 39 -12.912 1.179 -1.516 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.257 -0.954 -3.363 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.415 1.954 -3.663 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.723 0.892 -5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -15.039 0.522 -3.681 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.645 2.127 -3.097 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.227 2.710 -5.611 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.098 1.229 -5.954 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.247 3.349 -4.112 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.447 3.445 -5.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.323 2.346 -4.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -17.500 1.257 -5.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.307 1.164 -4.138 1.00 0.00 H new ATOM 546 N LYS A 40 -11.018 -1.487 -4.367 1.00 0.00 N ATOM 547 CA LYS A 40 -9.702 -1.971 -4.766 1.00 0.00 C ATOM 548 C LYS A 40 -8.900 -0.867 -5.450 1.00 0.00 C ATOM 549 O LYS A 40 -9.149 -0.535 -6.609 1.00 0.00 O ATOM 550 CB LYS A 40 -9.841 -3.171 -5.705 1.00 0.00 C ATOM 551 CG LYS A 40 -10.810 -4.227 -5.203 1.00 0.00 C ATOM 552 CD LYS A 40 -10.103 -5.283 -4.370 1.00 0.00 C ATOM 553 CE LYS A 40 -10.981 -6.506 -4.157 1.00 0.00 C ATOM 554 NZ LYS A 40 -10.986 -7.399 -5.349 1.00 0.00 N ATOM 0 H LYS A 40 -11.797 -1.939 -4.846 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.168 -2.280 -3.867 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.173 -2.820 -6.682 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.861 -3.627 -5.846 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.589 -3.753 -4.606 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.303 -4.702 -6.051 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.178 -5.580 -4.865 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.826 -4.860 -3.404 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.626 -7.061 -3.289 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.000 -6.188 -3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.596 -8.221 -5.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.348 -6.877 -6.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.017 -7.723 -5.544 1.00 0.00 H new ATOM 568 N CYS A 41 -7.939 -0.306 -4.726 1.00 0.00 N ATOM 569 CA CYS A 41 -7.101 0.760 -5.263 1.00 0.00 C ATOM 570 C CYS A 41 -5.637 0.332 -5.306 1.00 0.00 C ATOM 571 O CYS A 41 -4.849 0.860 -6.091 1.00 0.00 O ATOM 572 CB CYS A 41 -7.249 2.028 -4.421 1.00 0.00 C ATOM 573 SG CYS A 41 -6.842 1.805 -2.674 1.00 0.00 S ATOM 0 H CYS A 41 -7.720 -0.571 -3.766 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.430 0.968 -6.281 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.606 2.804 -4.837 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.275 2.387 -4.501 1.00 0.00 H new ATOM 0 HG CYS A 41 -7.927 1.883 -1.962 1.00 0.00 H new ATOM 579 N ILE A 42 -5.282 -0.626 -4.457 1.00 0.00 N ATOM 580 CA ILE A 42 -3.913 -1.124 -4.397 1.00 0.00 C ATOM 581 C ILE A 42 -3.689 -2.237 -5.415 1.00 0.00 C ATOM 582 O ILE A 42 -4.162 -3.359 -5.235 1.00 0.00 O ATOM 583 CB ILE A 42 -3.566 -1.651 -2.992 1.00 0.00 C ATOM 584 CG1 ILE A 42 -3.647 -0.519 -1.965 1.00 0.00 C ATOM 585 CG2 ILE A 42 -2.180 -2.278 -2.989 1.00 0.00 C ATOM 586 CD1 ILE A 42 -3.553 -0.995 -0.533 1.00 0.00 C ATOM 0 H ILE A 42 -5.923 -1.073 -3.801 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.260 -0.283 -4.631 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.291 -2.418 -2.718 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.844 0.192 -2.156 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.586 0.017 -2.100 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.949 -2.646 -1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.154 -3.108 -3.696 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.442 -1.531 -3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.617 -0.140 0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.372 -1.684 -0.324 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.602 -1.505 -0.381 1.00 0.00 H new ATOM 598 N GLN A 43 -2.963 -1.919 -6.482 1.00 0.00 N ATOM 599 CA GLN A 43 -2.675 -2.893 -7.528 1.00 0.00 C ATOM 600 C GLN A 43 -1.350 -3.601 -7.263 1.00 0.00 C ATOM 601 O GLN A 43 -0.295 -2.969 -7.224 1.00 0.00 O ATOM 602 CB GLN A 43 -2.638 -2.209 -8.895 1.00 0.00 C ATOM 603 CG GLN A 43 -2.800 -3.171 -10.061 1.00 0.00 C ATOM 604 CD GLN A 43 -2.559 -2.507 -11.403 1.00 0.00 C ATOM 605 OE1 GLN A 43 -1.581 -1.782 -11.582 1.00 0.00 O ATOM 606 NE2 GLN A 43 -3.452 -2.753 -12.354 1.00 0.00 N ATOM 0 H GLN A 43 -2.564 -0.995 -6.645 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.470 -3.638 -7.525 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.430 -1.461 -8.939 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -1.692 -1.679 -9.001 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.105 -4.002 -9.941 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -3.805 -3.592 -10.043 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.248 -3.361 -12.161 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.342 -2.334 -13.278 1.00 0.00 H new ATOM 615 N ASN A 44 -1.413 -4.916 -7.080 1.00 0.00 N ATOM 616 CA ASN A 44 -0.217 -5.709 -6.818 1.00 0.00 C ATOM 617 C ASN A 44 0.604 -5.892 -8.091 1.00 0.00 C ATOM 618 O ASN A 44 0.173 -5.511 -9.179 1.00 0.00 O ATOM 619 CB ASN A 44 -0.601 -7.074 -6.245 1.00 0.00 C ATOM 620 CG ASN A 44 -1.406 -7.907 -7.224 1.00 0.00 C ATOM 621 OD1 ASN A 44 -1.671 -7.480 -8.348 1.00 0.00 O ATOM 622 ND2 ASN A 44 -1.799 -9.102 -6.800 1.00 0.00 N ATOM 0 H ASN A 44 -2.279 -5.455 -7.108 1.00 0.00 H new ATOM 0 HA ASN A 44 0.391 -5.174 -6.089 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.303 -7.616 -5.969 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.179 -6.932 -5.332 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.344 -9.707 -7.414 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.556 -9.415 -5.860 1.00 0.00 H new ATOM 629 N GLU A 45 1.788 -6.479 -7.945 1.00 0.00 N ATOM 630 CA GLU A 45 2.669 -6.713 -9.084 1.00 0.00 C ATOM 631 C GLU A 45 1.968 -7.548 -10.152 1.00 0.00 C ATOM 632 O GLU A 45 2.292 -7.459 -11.336 1.00 0.00 O ATOM 633 CB GLU A 45 3.950 -7.416 -8.630 1.00 0.00 C ATOM 634 CG GLU A 45 3.704 -8.564 -7.666 1.00 0.00 C ATOM 635 CD GLU A 45 4.753 -9.654 -7.778 1.00 0.00 C ATOM 636 OE1 GLU A 45 4.916 -10.207 -8.886 1.00 0.00 O ATOM 637 OE2 GLU A 45 5.408 -9.955 -6.759 1.00 0.00 O ATOM 0 H GLU A 45 2.159 -6.801 -7.051 1.00 0.00 H new ATOM 0 HA GLU A 45 2.927 -5.746 -9.516 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.477 -7.795 -9.506 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.606 -6.687 -8.154 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.691 -8.181 -6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.720 -8.991 -7.859 1.00 0.00 H new ATOM 644 N ALA A 46 1.007 -8.359 -9.723 1.00 0.00 N ATOM 645 CA ALA A 46 0.259 -9.209 -10.642 1.00 0.00 C ATOM 646 C ALA A 46 -0.807 -8.411 -11.384 1.00 0.00 C ATOM 647 O ALA A 46 -1.390 -8.889 -12.356 1.00 0.00 O ATOM 648 CB ALA A 46 -0.375 -10.369 -9.889 1.00 0.00 C ATOM 0 H ALA A 46 0.728 -8.446 -8.746 1.00 0.00 H new ATOM 0 HA ALA A 46 0.956 -9.606 -11.380 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.930 -10.996 -10.587 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.405 -10.962 -9.410 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.054 -9.982 -9.129 1.00 0.00 H new ATOM 654 N GLY A 47 -1.058 -7.191 -10.918 1.00 0.00 N ATOM 655 CA GLY A 47 -2.056 -6.347 -11.549 1.00 0.00 C ATOM 656 C GLY A 47 -3.410 -6.447 -10.876 1.00 0.00 C ATOM 657 O GLY A 47 -4.274 -5.593 -11.074 1.00 0.00 O ATOM 0 H GLY A 47 -0.588 -6.772 -10.115 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.718 -5.311 -11.526 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.154 -6.627 -12.598 1.00 0.00 H new ATOM 661 N ASP A 48 -3.598 -7.495 -10.081 1.00 0.00 N ATOM 662 CA ASP A 48 -4.858 -7.705 -9.377 1.00 0.00 C ATOM 663 C ASP A 48 -5.034 -6.680 -8.261 1.00 0.00 C ATOM 664 O ASP A 48 -4.306 -6.697 -7.268 1.00 0.00 O ATOM 665 CB ASP A 48 -4.915 -9.120 -8.800 1.00 0.00 C ATOM 666 CG ASP A 48 -4.849 -10.186 -9.876 1.00 0.00 C ATOM 667 OD1 ASP A 48 -3.967 -10.089 -10.755 1.00 0.00 O ATOM 668 OD2 ASP A 48 -5.678 -11.119 -9.838 1.00 0.00 O ATOM 0 H ASP A 48 -2.894 -8.212 -9.908 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.671 -7.580 -10.093 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.088 -9.259 -8.103 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.836 -9.240 -8.229 1.00 0.00 H new ATOM 673 N TRP A 49 -6.003 -5.788 -8.432 1.00 0.00 N ATOM 674 CA TRP A 49 -6.274 -4.754 -7.439 1.00 0.00 C ATOM 675 C TRP A 49 -6.683 -5.373 -6.107 1.00 0.00 C ATOM 676 O TRP A 49 -7.275 -6.452 -6.068 1.00 0.00 O ATOM 677 CB TRP A 49 -7.373 -3.815 -7.937 1.00 0.00 C ATOM 678 CG TRP A 49 -7.032 -3.135 -9.229 1.00 0.00 C ATOM 679 CD1 TRP A 49 -7.153 -3.654 -10.486 1.00 0.00 C ATOM 680 CD2 TRP A 49 -6.512 -1.810 -9.389 1.00 0.00 C ATOM 681 NE1 TRP A 49 -6.740 -2.733 -11.418 1.00 0.00 N ATOM 682 CE2 TRP A 49 -6.342 -1.593 -10.770 1.00 0.00 C ATOM 683 CE3 TRP A 49 -6.175 -0.786 -8.500 1.00 0.00 C ATOM 684 CZ2 TRP A 49 -5.850 -0.395 -11.280 1.00 0.00 C ATOM 685 CZ3 TRP A 49 -5.686 0.402 -9.007 1.00 0.00 C ATOM 686 CH2 TRP A 49 -5.528 0.591 -10.387 1.00 0.00 C ATOM 0 H TRP A 49 -6.614 -5.760 -9.248 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.359 -4.182 -7.287 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.295 -4.382 -8.065 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.567 -3.059 -7.177 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.520 -4.644 -10.714 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -6.731 -2.875 -12.428 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.295 -0.921 -7.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.727 -0.249 -12.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.421 1.199 -8.328 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.145 1.532 -10.752 1.00 0.00 H new ATOM 697 N LEU A 50 -6.364 -4.684 -5.016 1.00 0.00 N ATOM 698 CA LEU A 50 -6.699 -5.166 -3.681 1.00 0.00 C ATOM 699 C LEU A 50 -7.157 -4.019 -2.787 1.00 0.00 C ATOM 700 O LEU A 50 -6.609 -2.917 -2.840 1.00 0.00 O ATOM 701 CB LEU A 50 -5.493 -5.869 -3.053 1.00 0.00 C ATOM 702 CG LEU A 50 -4.950 -7.057 -3.848 1.00 0.00 C ATOM 703 CD1 LEU A 50 -3.460 -7.230 -3.598 1.00 0.00 C ATOM 704 CD2 LEU A 50 -5.704 -8.328 -3.487 1.00 0.00 C ATOM 0 H LEU A 50 -5.874 -3.790 -5.030 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.519 -5.879 -3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.693 -5.140 -2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.771 -6.214 -2.057 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.099 -6.859 -4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.091 -8.080 -4.172 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -2.932 -6.328 -3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.287 -7.407 -2.536 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.305 -9.164 -4.062 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.586 -8.531 -2.423 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.762 -8.201 -3.718 1.00 0.00 H new ATOM 716 N THR A 51 -8.167 -4.285 -1.964 1.00 0.00 N ATOM 717 CA THR A 51 -8.701 -3.275 -1.059 1.00 0.00 C ATOM 718 C THR A 51 -7.686 -2.912 0.020 1.00 0.00 C ATOM 719 O THR A 51 -6.925 -3.762 0.482 1.00 0.00 O ATOM 720 CB THR A 51 -9.999 -3.755 -0.384 1.00 0.00 C ATOM 721 OG1 THR A 51 -9.718 -4.846 0.500 1.00 0.00 O ATOM 722 CG2 THR A 51 -11.021 -4.190 -1.425 1.00 0.00 C ATOM 0 H THR A 51 -8.631 -5.191 -1.906 1.00 0.00 H new ATOM 0 HA THR A 51 -8.918 -2.394 -1.662 1.00 0.00 H new ATOM 0 HB THR A 51 -10.414 -2.924 0.186 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.549 -5.144 0.926 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.930 -4.525 -0.925 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.255 -3.350 -2.078 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.611 -5.007 -2.018 1.00 0.00 H new ATOM 730 N VAL A 52 -7.680 -1.643 0.417 1.00 0.00 N ATOM 731 CA VAL A 52 -6.759 -1.168 1.443 1.00 0.00 C ATOM 732 C VAL A 52 -6.529 -2.232 2.511 1.00 0.00 C ATOM 733 O VAL A 52 -5.458 -2.303 3.112 1.00 0.00 O ATOM 734 CB VAL A 52 -7.283 0.115 2.116 1.00 0.00 C ATOM 735 CG1 VAL A 52 -6.390 0.507 3.284 1.00 0.00 C ATOM 736 CG2 VAL A 52 -7.379 1.246 1.104 1.00 0.00 C ATOM 0 H VAL A 52 -8.302 -0.926 0.044 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.815 -0.949 0.944 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.283 -0.080 2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.775 1.415 3.748 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.378 -0.298 4.019 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.377 0.685 2.924 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.751 2.144 1.597 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.392 1.444 0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.063 0.961 0.304 1.00 0.00 H new ATOM 746 N LYS A 53 -7.543 -3.059 2.741 1.00 0.00 N ATOM 747 CA LYS A 53 -7.453 -4.122 3.735 1.00 0.00 C ATOM 748 C LYS A 53 -6.788 -5.362 3.147 1.00 0.00 C ATOM 749 O LYS A 53 -5.790 -5.852 3.675 1.00 0.00 O ATOM 750 CB LYS A 53 -8.846 -4.477 4.260 1.00 0.00 C ATOM 751 CG LYS A 53 -9.345 -3.538 5.344 1.00 0.00 C ATOM 752 CD LYS A 53 -10.780 -3.850 5.734 1.00 0.00 C ATOM 753 CE LYS A 53 -10.867 -5.111 6.580 1.00 0.00 C ATOM 754 NZ LYS A 53 -10.918 -6.340 5.740 1.00 0.00 N ATOM 0 H LYS A 53 -8.437 -3.014 2.252 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.841 -3.761 4.562 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.552 -4.467 3.429 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.829 -5.494 4.652 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.703 -3.619 6.221 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.278 -2.508 4.994 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.198 -3.010 6.288 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.384 -3.972 4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -10.006 -5.162 7.246 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -11.755 -5.065 7.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.689 -6.955 6.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.087 -6.076 4.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.014 -6.848 5.813 1.00 0.00 H new ATOM 768 N GLU A 54 -7.348 -5.864 2.050 1.00 0.00 N ATOM 769 CA GLU A 54 -6.807 -7.047 1.391 1.00 0.00 C ATOM 770 C GLU A 54 -5.291 -6.946 1.248 1.00 0.00 C ATOM 771 O GLU A 54 -4.561 -7.881 1.578 1.00 0.00 O ATOM 772 CB GLU A 54 -7.449 -7.229 0.014 1.00 0.00 C ATOM 773 CG GLU A 54 -8.813 -7.897 0.062 1.00 0.00 C ATOM 774 CD GLU A 54 -9.299 -8.330 -1.308 1.00 0.00 C ATOM 775 OE1 GLU A 54 -8.449 -8.661 -2.161 1.00 0.00 O ATOM 776 OE2 GLU A 54 -10.528 -8.338 -1.527 1.00 0.00 O ATOM 0 H GLU A 54 -8.174 -5.470 1.600 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.039 -7.914 2.010 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.548 -6.254 -0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.784 -7.824 -0.612 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -8.765 -8.766 0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.536 -7.208 0.499 1.00 0.00 H new ATOM 783 N PHE A 55 -4.825 -5.804 0.752 1.00 0.00 N ATOM 784 CA PHE A 55 -3.396 -5.580 0.563 1.00 0.00 C ATOM 785 C PHE A 55 -2.615 -5.970 1.814 1.00 0.00 C ATOM 786 O PHE A 55 -1.580 -6.631 1.732 1.00 0.00 O ATOM 787 CB PHE A 55 -3.130 -4.113 0.219 1.00 0.00 C ATOM 788 CG PHE A 55 -1.709 -3.840 -0.183 1.00 0.00 C ATOM 789 CD1 PHE A 55 -1.127 -4.530 -1.234 1.00 0.00 C ATOM 790 CD2 PHE A 55 -0.954 -2.894 0.492 1.00 0.00 C ATOM 791 CE1 PHE A 55 0.181 -4.281 -1.606 1.00 0.00 C ATOM 792 CE2 PHE A 55 0.354 -2.640 0.124 1.00 0.00 C ATOM 793 CZ PHE A 55 0.922 -3.336 -0.926 1.00 0.00 C ATOM 0 H PHE A 55 -5.415 -5.020 0.474 1.00 0.00 H new ATOM 0 HA PHE A 55 -3.061 -6.207 -0.264 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.793 -3.812 -0.592 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.381 -3.495 1.081 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.702 -5.271 -1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.393 -2.349 1.315 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.622 -4.825 -2.428 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.931 -1.899 0.656 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.944 -3.141 -1.214 1.00 0.00 H new ATOM 803 N LEU A 56 -3.117 -5.555 2.972 1.00 0.00 N ATOM 804 CA LEU A 56 -2.467 -5.860 4.242 1.00 0.00 C ATOM 805 C LEU A 56 -2.393 -7.367 4.468 1.00 0.00 C ATOM 806 O LEU A 56 -1.336 -7.906 4.792 1.00 0.00 O ATOM 807 CB LEU A 56 -3.219 -5.195 5.396 1.00 0.00 C ATOM 808 CG LEU A 56 -3.579 -3.726 5.173 1.00 0.00 C ATOM 809 CD1 LEU A 56 -4.470 -3.218 6.296 1.00 0.00 C ATOM 810 CD2 LEU A 56 -2.320 -2.880 5.065 1.00 0.00 C ATOM 0 H LEU A 56 -3.972 -5.006 3.058 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.451 -5.467 4.205 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.136 -5.754 5.582 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.611 -5.271 6.298 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.129 -3.645 4.236 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.716 -2.171 6.120 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.387 -3.806 6.327 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.946 -3.313 7.247 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.595 -1.837 4.906 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.743 -2.967 5.986 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.718 -3.228 4.225 1.00 0.00 H new ATOM 822 N ASN A 57 -3.526 -8.041 4.293 1.00 0.00 N ATOM 823 CA ASN A 57 -3.591 -9.486 4.479 1.00 0.00 C ATOM 824 C ASN A 57 -2.514 -10.189 3.658 1.00 0.00 C ATOM 825 O ASN A 57 -1.917 -11.167 4.107 1.00 0.00 O ATOM 826 CB ASN A 57 -4.973 -10.010 4.084 1.00 0.00 C ATOM 827 CG ASN A 57 -5.972 -9.919 5.221 1.00 0.00 C ATOM 828 OD1 ASN A 57 -6.171 -10.879 5.965 1.00 0.00 O ATOM 829 ND2 ASN A 57 -6.608 -8.761 5.359 1.00 0.00 N ATOM 0 H ASN A 57 -4.410 -7.610 4.023 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.416 -9.700 5.533 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.344 -9.441 3.231 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.887 -11.048 3.762 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -7.293 -8.641 6.105 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.411 -7.992 4.719 1.00 0.00 H new ATOM 836 N GLU A 58 -2.272 -9.683 2.452 1.00 0.00 N ATOM 837 CA GLU A 58 -1.268 -10.263 1.569 1.00 0.00 C ATOM 838 C GLU A 58 0.095 -10.312 2.253 1.00 0.00 C ATOM 839 O GLU A 58 0.864 -11.254 2.064 1.00 0.00 O ATOM 840 CB GLU A 58 -1.172 -9.458 0.271 1.00 0.00 C ATOM 841 CG GLU A 58 -2.100 -9.955 -0.824 1.00 0.00 C ATOM 842 CD GLU A 58 -1.587 -11.212 -1.498 1.00 0.00 C ATOM 843 OE1 GLU A 58 -1.103 -12.114 -0.784 1.00 0.00 O ATOM 844 OE2 GLU A 58 -1.670 -11.294 -2.742 1.00 0.00 O ATOM 0 H GLU A 58 -2.757 -8.874 2.065 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.573 -11.283 1.334 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.401 -8.414 0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.145 -9.491 -0.092 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.085 -10.151 -0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.226 -9.172 -1.572 1.00 0.00 H new ATOM 851 N GLY A 59 0.389 -9.287 3.048 1.00 0.00 N ATOM 852 CA GLY A 59 1.659 -9.231 3.747 1.00 0.00 C ATOM 853 C GLY A 59 1.619 -9.951 5.080 1.00 0.00 C ATOM 854 O GLY A 59 2.598 -10.577 5.485 1.00 0.00 O ATOM 0 H GLY A 59 -0.230 -8.495 3.220 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.434 -9.674 3.122 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.936 -8.189 3.908 1.00 0.00 H new ATOM 858 N GLY A 60 0.484 -9.862 5.766 1.00 0.00 N ATOM 859 CA GLY A 60 0.342 -10.513 7.055 1.00 0.00 C ATOM 860 C GLY A 60 0.180 -9.523 8.191 1.00 0.00 C ATOM 861 O GLY A 60 0.508 -9.824 9.338 1.00 0.00 O ATOM 0 H GLY A 60 -0.340 -9.350 5.452 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.522 -11.177 7.030 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.217 -11.136 7.242 1.00 0.00 H new ATOM 865 N ARG A 61 -0.326 -8.336 7.871 1.00 0.00 N ATOM 866 CA ARG A 61 -0.528 -7.297 8.873 1.00 0.00 C ATOM 867 C ARG A 61 -2.008 -6.946 9.003 1.00 0.00 C ATOM 868 O ARG A 61 -2.366 -5.934 9.603 1.00 0.00 O ATOM 869 CB ARG A 61 0.273 -6.045 8.509 1.00 0.00 C ATOM 870 CG ARG A 61 1.674 -6.026 9.100 1.00 0.00 C ATOM 871 CD ARG A 61 2.479 -4.843 8.586 1.00 0.00 C ATOM 872 NE ARG A 61 3.910 -5.009 8.825 1.00 0.00 N ATOM 873 CZ ARG A 61 4.466 -4.947 10.030 1.00 0.00 C ATOM 874 NH1 ARG A 61 3.715 -4.724 11.099 1.00 0.00 N ATOM 875 NH2 ARG A 61 5.776 -5.109 10.166 1.00 0.00 N ATOM 0 H ARG A 61 -0.603 -8.071 6.926 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.177 -7.679 9.832 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.344 -5.972 7.424 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.269 -5.164 8.853 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.611 -5.980 10.187 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.188 -6.954 8.850 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.302 -4.721 7.517 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.134 -3.931 9.073 1.00 0.00 H new ATOM 0 HE ARG A 61 4.516 -5.182 8.023 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.708 -4.600 10.998 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.144 -4.677 12.023 1.00 0.00 H new ATOM 0 HH21 ARG A 61 6.357 -5.281 9.345 1.00 0.00 H new ATOM 0 HH22 ARG A 61 6.202 -5.061 11.091 1.00 0.00 H new ATOM 889 N ALA A 62 -2.862 -7.791 8.434 1.00 0.00 N ATOM 890 CA ALA A 62 -4.302 -7.571 8.487 1.00 0.00 C ATOM 891 C ALA A 62 -4.742 -7.149 9.885 1.00 0.00 C ATOM 892 O ALA A 62 -5.615 -6.295 10.042 1.00 0.00 O ATOM 893 CB ALA A 62 -5.044 -8.828 8.055 1.00 0.00 C ATOM 0 H ALA A 62 -2.582 -8.633 7.932 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.547 -6.763 7.798 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.118 -8.650 8.099 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.761 -9.085 7.034 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.785 -9.651 8.722 1.00 0.00 H new ATOM 899 N THR A 63 -4.132 -7.754 10.900 1.00 0.00 N ATOM 900 CA THR A 63 -4.462 -7.442 12.285 1.00 0.00 C ATOM 901 C THR A 63 -4.494 -5.936 12.517 1.00 0.00 C ATOM 902 O THR A 63 -5.417 -5.414 13.142 1.00 0.00 O ATOM 903 CB THR A 63 -3.454 -8.079 13.260 1.00 0.00 C ATOM 904 OG1 THR A 63 -2.130 -7.622 12.963 1.00 0.00 O ATOM 905 CG2 THR A 63 -3.504 -9.597 13.174 1.00 0.00 C ATOM 0 H THR A 63 -3.407 -8.463 10.788 1.00 0.00 H new ATOM 0 HA THR A 63 -5.452 -7.857 12.475 1.00 0.00 H new ATOM 0 HB THR A 63 -3.722 -7.780 14.273 1.00 0.00 H new ATOM 0 HG1 THR A 63 -1.495 -8.030 13.588 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.784 -10.025 13.871 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.506 -9.943 13.429 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.258 -9.912 12.160 1.00 0.00 H new ATOM 913 N SER A 64 -3.481 -5.242 12.009 1.00 0.00 N ATOM 914 CA SER A 64 -3.391 -3.795 12.164 1.00 0.00 C ATOM 915 C SER A 64 -4.683 -3.119 11.714 1.00 0.00 C ATOM 916 O SER A 64 -5.391 -3.624 10.842 1.00 0.00 O ATOM 917 CB SER A 64 -2.209 -3.247 11.362 1.00 0.00 C ATOM 918 OG SER A 64 -1.675 -2.084 11.971 1.00 0.00 O ATOM 0 H SER A 64 -2.711 -5.659 11.486 1.00 0.00 H new ATOM 0 HA SER A 64 -3.236 -3.577 13.221 1.00 0.00 H new ATOM 0 HB2 SER A 64 -1.434 -4.009 11.284 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.531 -3.015 10.347 1.00 0.00 H new ATOM 0 HG SER A 64 -0.697 -2.106 11.916 1.00 0.00 H new ATOM 924 N LYS A 65 -4.985 -1.974 12.315 1.00 0.00 N ATOM 925 CA LYS A 65 -6.190 -1.226 11.977 1.00 0.00 C ATOM 926 C LYS A 65 -5.864 -0.057 11.053 1.00 0.00 C ATOM 927 O LYS A 65 -6.670 0.315 10.200 1.00 0.00 O ATOM 928 CB LYS A 65 -6.869 -0.711 13.248 1.00 0.00 C ATOM 929 CG LYS A 65 -5.928 0.032 14.182 1.00 0.00 C ATOM 930 CD LYS A 65 -5.285 -0.907 15.189 1.00 0.00 C ATOM 931 CE LYS A 65 -3.942 -0.378 15.665 1.00 0.00 C ATOM 932 NZ LYS A 65 -4.080 0.917 16.389 1.00 0.00 N ATOM 0 H LYS A 65 -4.411 -1.543 13.040 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.871 -1.899 11.456 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.689 -0.049 12.969 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -7.308 -1.554 13.783 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -5.152 0.528 13.599 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.478 0.811 14.710 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.950 -1.037 16.043 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.151 -1.890 14.737 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.474 -1.112 16.321 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.280 -0.247 14.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.152 1.210 16.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -4.440 1.643 15.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -4.745 0.803 17.181 1.00 0.00 H new ATOM 946 N ASP A 66 -4.679 0.516 11.227 1.00 0.00 N ATOM 947 CA ASP A 66 -4.245 1.641 10.407 1.00 0.00 C ATOM 948 C ASP A 66 -3.407 1.162 9.226 1.00 0.00 C ATOM 949 O ASP A 66 -2.288 0.681 9.401 1.00 0.00 O ATOM 950 CB ASP A 66 -3.441 2.634 11.248 1.00 0.00 C ATOM 951 CG ASP A 66 -4.236 3.175 12.421 1.00 0.00 C ATOM 952 OD1 ASP A 66 -5.480 3.222 12.324 1.00 0.00 O ATOM 953 OD2 ASP A 66 -3.613 3.552 13.435 1.00 0.00 O ATOM 0 H ASP A 66 -4.001 0.220 11.929 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.134 2.140 10.021 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.539 2.146 11.618 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.119 3.463 10.618 1.00 0.00 H new ATOM 958 N TRP A 67 -3.958 1.294 8.024 1.00 0.00 N ATOM 959 CA TRP A 67 -3.261 0.873 6.814 1.00 0.00 C ATOM 960 C TRP A 67 -2.211 1.899 6.405 1.00 0.00 C ATOM 961 O TRP A 67 -1.229 1.567 5.741 1.00 0.00 O ATOM 962 CB TRP A 67 -4.259 0.663 5.674 1.00 0.00 C ATOM 963 CG TRP A 67 -5.135 1.854 5.425 1.00 0.00 C ATOM 964 CD1 TRP A 67 -6.290 2.172 6.079 1.00 0.00 C ATOM 965 CD2 TRP A 67 -4.927 2.882 4.451 1.00 0.00 C ATOM 966 NE1 TRP A 67 -6.813 3.337 5.571 1.00 0.00 N ATOM 967 CE2 TRP A 67 -5.995 3.793 4.572 1.00 0.00 C ATOM 968 CE3 TRP A 67 -3.941 3.124 3.490 1.00 0.00 C ATOM 969 CZ2 TRP A 67 -6.103 4.924 3.767 1.00 0.00 C ATOM 970 CZ3 TRP A 67 -4.050 4.247 2.692 1.00 0.00 C ATOM 971 CH2 TRP A 67 -5.124 5.135 2.834 1.00 0.00 C ATOM 0 H TRP A 67 -4.884 1.689 7.862 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.756 -0.070 7.024 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -3.713 0.426 4.761 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -4.886 -0.199 5.903 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -6.729 1.593 6.878 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.671 3.789 5.887 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.109 2.445 3.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.930 5.610 3.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.294 4.443 1.946 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.181 6.003 2.195 1.00 0.00 H new ATOM 982 N LYS A 68 -2.423 3.148 6.806 1.00 0.00 N ATOM 983 CA LYS A 68 -1.494 4.224 6.483 1.00 0.00 C ATOM 984 C LYS A 68 -0.167 4.034 7.211 1.00 0.00 C ATOM 985 O LYS A 68 0.864 4.558 6.789 1.00 0.00 O ATOM 986 CB LYS A 68 -2.101 5.579 6.853 1.00 0.00 C ATOM 987 CG LYS A 68 -3.307 5.956 6.011 1.00 0.00 C ATOM 988 CD LYS A 68 -4.061 7.131 6.610 1.00 0.00 C ATOM 989 CE LYS A 68 -5.539 7.086 6.253 1.00 0.00 C ATOM 990 NZ LYS A 68 -6.294 8.211 6.871 1.00 0.00 N ATOM 0 H LYS A 68 -3.231 3.440 7.356 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.307 4.198 5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.393 5.562 7.903 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.338 6.351 6.746 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.982 6.208 5.001 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.975 5.099 5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.947 7.123 7.694 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.627 8.064 6.251 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.652 7.125 5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.964 6.138 6.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.297 8.144 6.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.208 8.160 7.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.906 9.116 6.535 1.00 0.00 H new ATOM 1004 N GLY A 69 -0.200 3.280 8.305 1.00 0.00 N ATOM 1005 CA GLY A 69 1.007 3.034 9.073 1.00 0.00 C ATOM 1006 C GLY A 69 1.747 1.796 8.608 1.00 0.00 C ATOM 1007 O GLY A 69 2.973 1.801 8.500 1.00 0.00 O ATOM 0 H GLY A 69 -1.041 2.835 8.673 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.666 3.898 8.995 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.748 2.925 10.126 1.00 0.00 H new ATOM 1011 N VAL A 70 1.001 0.730 8.332 1.00 0.00 N ATOM 1012 CA VAL A 70 1.594 -0.521 7.877 1.00 0.00 C ATOM 1013 C VAL A 70 2.178 -0.375 6.476 1.00 0.00 C ATOM 1014 O VAL A 70 3.259 -0.888 6.186 1.00 0.00 O ATOM 1015 CB VAL A 70 0.561 -1.663 7.873 1.00 0.00 C ATOM 1016 CG1 VAL A 70 0.112 -1.982 9.291 1.00 0.00 C ATOM 1017 CG2 VAL A 70 -0.629 -1.302 6.997 1.00 0.00 C ATOM 0 H VAL A 70 -0.015 0.709 8.416 1.00 0.00 H new ATOM 0 HA VAL A 70 2.393 -0.765 8.577 1.00 0.00 H new ATOM 0 HB VAL A 70 1.032 -2.554 7.457 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.618 -2.791 9.268 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.973 -2.287 9.885 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.342 -1.097 9.737 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.349 -2.120 7.006 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.102 -0.398 7.381 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.290 -1.128 5.976 1.00 0.00 H new ATOM 1027 N ILE A 71 1.456 0.330 5.611 1.00 0.00 N ATOM 1028 CA ILE A 71 1.903 0.545 4.240 1.00 0.00 C ATOM 1029 C ILE A 71 2.976 1.627 4.176 1.00 0.00 C ATOM 1030 O ILE A 71 2.776 2.743 4.655 1.00 0.00 O ATOM 1031 CB ILE A 71 0.733 0.943 3.322 1.00 0.00 C ATOM 1032 CG1 ILE A 71 -0.324 -0.163 3.298 1.00 0.00 C ATOM 1033 CG2 ILE A 71 1.237 1.232 1.916 1.00 0.00 C ATOM 1034 CD1 ILE A 71 -1.596 0.232 2.580 1.00 0.00 C ATOM 0 H ILE A 71 0.560 0.762 5.835 1.00 0.00 H new ATOM 0 HA ILE A 71 2.321 -0.400 3.892 1.00 0.00 H new ATOM 0 HB ILE A 71 0.274 1.850 3.716 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.096 -1.046 2.816 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.567 -0.444 4.323 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.398 1.512 1.279 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.957 2.050 1.948 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.718 0.341 1.512 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.300 -0.600 2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.040 1.096 3.075 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.366 0.485 1.545 1.00 0.00 H new ATOM 1046 N ARG A 72 4.114 1.289 3.579 1.00 0.00 N ATOM 1047 CA ARG A 72 5.219 2.232 3.451 1.00 0.00 C ATOM 1048 C ARG A 72 5.474 2.576 1.987 1.00 0.00 C ATOM 1049 O ARG A 72 5.561 1.688 1.137 1.00 0.00 O ATOM 1050 CB ARG A 72 6.488 1.652 4.078 1.00 0.00 C ATOM 1051 CG ARG A 72 6.311 1.225 5.526 1.00 0.00 C ATOM 1052 CD ARG A 72 7.638 0.829 6.156 1.00 0.00 C ATOM 1053 NE ARG A 72 7.463 0.264 7.491 1.00 0.00 N ATOM 1054 CZ ARG A 72 8.335 -0.561 8.060 1.00 0.00 C ATOM 1055 NH1 ARG A 72 9.437 -0.915 7.414 1.00 0.00 N ATOM 1056 NH2 ARG A 72 8.105 -1.033 9.279 1.00 0.00 N ATOM 0 H ARG A 72 4.295 0.370 3.176 1.00 0.00 H new ATOM 0 HA ARG A 72 4.946 3.146 3.979 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.813 0.792 3.492 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.283 2.395 4.022 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.866 2.041 6.095 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.618 0.385 5.577 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.140 0.102 5.518 1.00 0.00 H new ATOM 0 HD3 ARG A 72 8.287 1.703 6.214 1.00 0.00 H new ATOM 0 HE ARG A 72 6.625 0.517 8.015 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.617 -0.554 6.477 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.105 -1.549 7.854 1.00 0.00 H new ATOM 0 HH21 ARG A 72 7.258 -0.762 9.779 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.775 -1.666 9.715 1.00 0.00 H new ATOM 1070 N CYS A 73 5.592 3.867 1.699 1.00 0.00 N ATOM 1071 CA CYS A 73 5.835 4.328 0.337 1.00 0.00 C ATOM 1072 C CYS A 73 7.201 4.999 0.226 1.00 0.00 C ATOM 1073 O CYS A 73 7.416 6.083 0.765 1.00 0.00 O ATOM 1074 CB CYS A 73 4.738 5.301 -0.098 1.00 0.00 C ATOM 1075 SG CYS A 73 5.068 6.131 -1.670 1.00 0.00 S ATOM 0 H CYS A 73 5.523 4.613 2.391 1.00 0.00 H new ATOM 0 HA CYS A 73 5.822 3.460 -0.322 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.796 4.758 -0.177 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.607 6.055 0.678 1.00 0.00 H new ATOM 0 HG CYS A 73 4.754 5.340 -2.653 1.00 0.00 H new ATOM 1081 N ASN A 74 8.120 4.344 -0.477 1.00 0.00 N ATOM 1082 CA ASN A 74 9.466 4.876 -0.657 1.00 0.00 C ATOM 1083 C ASN A 74 10.193 4.980 0.680 1.00 0.00 C ATOM 1084 O ASN A 74 11.019 5.870 0.882 1.00 0.00 O ATOM 1085 CB ASN A 74 9.408 6.251 -1.327 1.00 0.00 C ATOM 1086 CG ASN A 74 9.429 6.157 -2.841 1.00 0.00 C ATOM 1087 OD1 ASN A 74 9.857 5.150 -3.406 1.00 0.00 O ATOM 1088 ND2 ASN A 74 8.967 7.210 -3.505 1.00 0.00 N ATOM 0 H ASN A 74 7.957 3.445 -0.931 1.00 0.00 H new ATOM 0 HA ASN A 74 10.018 4.189 -1.298 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.503 6.769 -1.010 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.253 6.852 -0.991 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.957 7.206 -4.525 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.622 8.023 -2.995 1.00 0.00 H new ATOM 1095 N GLY A 75 9.880 4.064 1.591 1.00 0.00 N ATOM 1096 CA GLY A 75 10.513 4.069 2.897 1.00 0.00 C ATOM 1097 C GLY A 75 9.800 4.973 3.882 1.00 0.00 C ATOM 1098 O GLY A 75 10.148 5.012 5.062 1.00 0.00 O ATOM 0 H GLY A 75 9.199 3.318 1.448 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.535 3.053 3.291 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.549 4.393 2.794 1.00 0.00 H new ATOM 1102 N GLU A 76 8.800 5.703 3.398 1.00 0.00 N ATOM 1103 CA GLU A 76 8.038 6.613 4.245 1.00 0.00 C ATOM 1104 C GLU A 76 6.568 6.207 4.296 1.00 0.00 C ATOM 1105 O GLU A 76 5.910 6.079 3.263 1.00 0.00 O ATOM 1106 CB GLU A 76 8.164 8.049 3.732 1.00 0.00 C ATOM 1107 CG GLU A 76 9.535 8.661 3.966 1.00 0.00 C ATOM 1108 CD GLU A 76 10.577 8.149 2.990 1.00 0.00 C ATOM 1109 OE1 GLU A 76 10.561 8.591 1.821 1.00 0.00 O ATOM 1110 OE2 GLU A 76 11.407 7.308 3.393 1.00 0.00 O ATOM 0 H GLU A 76 8.499 5.682 2.424 1.00 0.00 H new ATOM 0 HA GLU A 76 8.448 6.558 5.254 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.946 8.065 2.664 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.411 8.668 4.220 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.464 9.745 3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.858 8.442 4.984 1.00 0.00 H new ATOM 1117 N THR A 77 6.058 6.005 5.507 1.00 0.00 N ATOM 1118 CA THR A 77 4.667 5.611 5.695 1.00 0.00 C ATOM 1119 C THR A 77 3.720 6.611 5.040 1.00 0.00 C ATOM 1120 O THR A 77 3.942 7.820 5.097 1.00 0.00 O ATOM 1121 CB THR A 77 4.314 5.490 7.189 1.00 0.00 C ATOM 1122 OG1 THR A 77 4.481 6.756 7.836 1.00 0.00 O ATOM 1123 CG2 THR A 77 5.190 4.448 7.869 1.00 0.00 C ATOM 0 H THR A 77 6.588 6.108 6.373 1.00 0.00 H new ATOM 0 HA THR A 77 4.547 4.637 5.221 1.00 0.00 H new ATOM 0 HB THR A 77 3.273 5.176 7.270 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.253 6.671 8.785 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.923 4.380 8.924 1.00 0.00 H new ATOM 0 HG22 THR A 77 5.039 3.479 7.393 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.237 4.738 7.778 1.00 0.00 H new ATOM 1131 N LEU A 78 2.663 6.098 4.420 1.00 0.00 N ATOM 1132 CA LEU A 78 1.681 6.946 3.754 1.00 0.00 C ATOM 1133 C LEU A 78 1.327 8.151 4.620 1.00 0.00 C ATOM 1134 O LEU A 78 1.247 9.278 4.131 1.00 0.00 O ATOM 1135 CB LEU A 78 0.417 6.144 3.434 1.00 0.00 C ATOM 1136 CG LEU A 78 0.627 4.952 2.500 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -0.618 4.080 2.458 1.00 0.00 C ATOM 1138 CD2 LEU A 78 0.992 5.429 1.102 1.00 0.00 C ATOM 0 H LEU A 78 2.464 5.099 4.365 1.00 0.00 H new ATOM 0 HA LEU A 78 2.120 7.306 2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.012 5.783 4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.316 6.814 2.984 1.00 0.00 H new ATOM 0 HG LEU A 78 1.452 4.353 2.886 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.449 3.237 1.788 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.837 3.710 3.460 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.462 4.668 2.096 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.138 4.568 0.450 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.188 6.050 0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.912 6.011 1.145 1.00 0.00 H new ATOM 1150 N ARG A 79 1.115 7.904 5.909 1.00 0.00 N ATOM 1151 CA ARG A 79 0.768 8.968 6.843 1.00 0.00 C ATOM 1152 C ARG A 79 1.789 10.101 6.781 1.00 0.00 C ATOM 1153 O ARG A 79 1.426 11.278 6.779 1.00 0.00 O ATOM 1154 CB ARG A 79 0.687 8.418 8.268 1.00 0.00 C ATOM 1155 CG ARG A 79 0.120 9.408 9.272 1.00 0.00 C ATOM 1156 CD ARG A 79 0.697 9.186 10.661 1.00 0.00 C ATOM 1157 NE ARG A 79 0.160 7.983 11.292 1.00 0.00 N ATOM 1158 CZ ARG A 79 -1.094 7.873 11.715 1.00 0.00 C ATOM 1159 NH1 ARG A 79 -1.936 8.888 11.576 1.00 0.00 N ATOM 1160 NH2 ARG A 79 -1.509 6.746 12.279 1.00 0.00 N ATOM 0 H ARG A 79 1.178 6.977 6.330 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.206 9.364 6.557 1.00 0.00 H new ATOM 0 HB2 ARG A 79 0.069 7.520 8.267 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.684 8.118 8.590 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.338 10.425 8.945 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.965 9.310 9.308 1.00 0.00 H new ATOM 0 HD2 ARG A 79 1.782 9.107 10.594 1.00 0.00 H new ATOM 0 HD3 ARG A 79 0.479 10.052 11.287 1.00 0.00 H new ATOM 0 HE ARG A 79 0.782 7.184 11.414 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -1.621 9.756 11.143 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -2.899 8.800 11.902 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -0.865 5.963 12.388 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -2.472 6.663 12.604 1.00 0.00 H new ATOM 1174 N HIS A 80 3.066 9.737 6.731 1.00 0.00 N ATOM 1175 CA HIS A 80 4.140 10.723 6.669 1.00 0.00 C ATOM 1176 C HIS A 80 3.970 11.635 5.457 1.00 0.00 C ATOM 1177 O HIS A 80 4.148 12.849 5.552 1.00 0.00 O ATOM 1178 CB HIS A 80 5.499 10.024 6.610 1.00 0.00 C ATOM 1179 CG HIS A 80 6.659 10.957 6.778 1.00 0.00 C ATOM 1180 ND1 HIS A 80 7.346 11.098 7.965 1.00 0.00 N ATOM 1181 CD2 HIS A 80 7.253 11.797 5.899 1.00 0.00 C ATOM 1182 CE1 HIS A 80 8.312 11.986 7.809 1.00 0.00 C ATOM 1183 NE2 HIS A 80 8.277 12.425 6.564 1.00 0.00 N ATOM 0 H HIS A 80 3.383 8.767 6.732 1.00 0.00 H new ATOM 0 HA HIS A 80 4.093 11.334 7.571 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.541 9.262 7.388 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.593 9.509 5.654 1.00 0.00 H new ATOM 0 HD1 HIS A 80 7.141 10.595 8.829 1.00 0.00 H new ATOM 0 HD2 HIS A 80 6.974 11.946 4.866 1.00 0.00 H new ATOM 0 HE1 HIS A 80 9.011 12.299 8.570 1.00 0.00 H new ATOM 1192 N LEU A 81 3.627 11.041 4.319 1.00 0.00 N ATOM 1193 CA LEU A 81 3.434 11.799 3.089 1.00 0.00 C ATOM 1194 C LEU A 81 2.320 12.828 3.252 1.00 0.00 C ATOM 1195 O LEU A 81 2.443 13.967 2.802 1.00 0.00 O ATOM 1196 CB LEU A 81 3.107 10.855 1.929 1.00 0.00 C ATOM 1197 CG LEU A 81 4.211 9.859 1.576 1.00 0.00 C ATOM 1198 CD1 LEU A 81 3.717 8.860 0.541 1.00 0.00 C ATOM 1199 CD2 LEU A 81 5.445 10.589 1.068 1.00 0.00 C ATOM 0 H LEU A 81 3.477 10.037 4.223 1.00 0.00 H new ATOM 0 HA LEU A 81 4.362 12.327 2.868 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.203 10.299 2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.882 11.453 1.046 1.00 0.00 H new ATOM 0 HG LEU A 81 4.483 9.312 2.479 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.516 8.159 0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.863 8.314 0.941 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.417 9.391 -0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 81 6.221 9.864 0.821 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.188 11.162 0.177 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.812 11.265 1.841 1.00 0.00 H new ATOM 1211 N GLU A 82 1.234 12.418 3.899 1.00 0.00 N ATOM 1212 CA GLU A 82 0.097 13.304 4.121 1.00 0.00 C ATOM 1213 C GLU A 82 0.500 14.503 4.974 1.00 0.00 C ATOM 1214 O GLU A 82 0.096 15.633 4.704 1.00 0.00 O ATOM 1215 CB GLU A 82 -1.046 12.544 4.797 1.00 0.00 C ATOM 1216 CG GLU A 82 -2.362 13.302 4.803 1.00 0.00 C ATOM 1217 CD GLU A 82 -3.205 13.017 3.575 1.00 0.00 C ATOM 1218 OE1 GLU A 82 -2.985 11.966 2.936 1.00 0.00 O ATOM 1219 OE2 GLU A 82 -4.083 13.843 3.252 1.00 0.00 O ATOM 0 H GLU A 82 1.117 11.478 4.279 1.00 0.00 H new ATOM 0 HA GLU A 82 -0.242 13.668 3.151 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -1.188 11.591 4.288 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.762 12.317 5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.927 13.035 5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.161 14.372 4.861 1.00 0.00 H new ATOM 1226 N GLN A 83 1.300 14.246 6.004 1.00 0.00 N ATOM 1227 CA GLN A 83 1.757 15.304 6.898 1.00 0.00 C ATOM 1228 C GLN A 83 2.517 16.378 6.126 1.00 0.00 C ATOM 1229 O GLN A 83 2.421 17.566 6.435 1.00 0.00 O ATOM 1230 CB GLN A 83 2.647 14.723 7.998 1.00 0.00 C ATOM 1231 CG GLN A 83 1.935 13.716 8.888 1.00 0.00 C ATOM 1232 CD GLN A 83 0.986 14.374 9.870 1.00 0.00 C ATOM 1233 OE1 GLN A 83 0.523 15.494 9.649 1.00 0.00 O ATOM 1234 NE2 GLN A 83 0.692 13.681 10.964 1.00 0.00 N ATOM 0 H GLN A 83 1.645 13.316 6.240 1.00 0.00 H new ATOM 0 HA GLN A 83 0.880 15.763 7.355 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.511 14.243 7.539 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.026 15.537 8.616 1.00 0.00 H new ATOM 0 HG2 GLN A 83 1.379 13.015 8.265 1.00 0.00 H new ATOM 0 HG3 GLN A 83 2.676 13.135 9.438 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.098 12.756 11.107 1.00 0.00 H new ATOM 0 HE22 GLN A 83 0.060 14.073 11.662 1.00 0.00 H new ATOM 1243 N LYS A 84 3.275 15.952 5.121 1.00 0.00 N ATOM 1244 CA LYS A 84 4.052 16.876 4.304 1.00 0.00 C ATOM 1245 C LYS A 84 3.199 17.462 3.184 1.00 0.00 C ATOM 1246 O LYS A 84 3.710 18.125 2.283 1.00 0.00 O ATOM 1247 CB LYS A 84 5.271 16.163 3.712 1.00 0.00 C ATOM 1248 CG LYS A 84 6.331 15.813 4.741 1.00 0.00 C ATOM 1249 CD LYS A 84 7.158 14.616 4.305 1.00 0.00 C ATOM 1250 CE LYS A 84 8.314 15.034 3.410 1.00 0.00 C ATOM 1251 NZ LYS A 84 9.012 13.858 2.819 1.00 0.00 N ATOM 0 H LYS A 84 3.368 14.972 4.853 1.00 0.00 H new ATOM 0 HA LYS A 84 4.390 17.692 4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.942 15.249 3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.716 16.798 2.946 1.00 0.00 H new ATOM 0 HG2 LYS A 84 6.985 16.671 4.897 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.854 15.598 5.697 1.00 0.00 H new ATOM 0 HD2 LYS A 84 7.545 14.100 5.184 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.523 13.908 3.774 1.00 0.00 H new ATOM 0 HE2 LYS A 84 7.941 15.674 2.611 1.00 0.00 H new ATOM 0 HE3 LYS A 84 9.025 15.626 3.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 9.793 14.185 2.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.390 13.260 3.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 8.340 13.307 2.247 1.00 0.00 H new ATOM 1265 N GLY A 85 1.894 17.213 3.248 1.00 0.00 N ATOM 1266 CA GLY A 85 0.991 17.725 2.234 1.00 0.00 C ATOM 1267 C GLY A 85 1.283 17.160 0.858 1.00 0.00 C ATOM 1268 O GLY A 85 1.069 17.827 -0.153 1.00 0.00 O ATOM 0 H GLY A 85 1.447 16.666 3.984 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.035 17.485 2.511 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.066 18.812 2.200 1.00 0.00 H new ATOM 1272 N LEU A 86 1.775 15.926 0.820 1.00 0.00 N ATOM 1273 CA LEU A 86 2.100 15.271 -0.443 1.00 0.00 C ATOM 1274 C LEU A 86 1.030 14.250 -0.816 1.00 0.00 C ATOM 1275 O LEU A 86 0.682 14.100 -1.987 1.00 0.00 O ATOM 1276 CB LEU A 86 3.466 14.587 -0.349 1.00 0.00 C ATOM 1277 CG LEU A 86 4.583 15.450 0.236 1.00 0.00 C ATOM 1278 CD1 LEU A 86 5.781 14.591 0.609 1.00 0.00 C ATOM 1279 CD2 LEU A 86 4.990 16.535 -0.749 1.00 0.00 C ATOM 0 H LEU A 86 1.957 15.359 1.648 1.00 0.00 H new ATOM 0 HA LEU A 86 2.136 16.033 -1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.364 13.689 0.261 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.763 14.263 -1.347 1.00 0.00 H new ATOM 0 HG LEU A 86 4.209 15.930 1.141 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.567 15.223 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.481 13.851 1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.155 14.083 -0.280 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.786 17.140 -0.315 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.345 16.075 -1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.131 17.169 -0.967 1.00 0.00 H new ATOM 1291 N LEU A 87 0.513 13.550 0.187 1.00 0.00 N ATOM 1292 CA LEU A 87 -0.517 12.542 -0.035 1.00 0.00 C ATOM 1293 C LEU A 87 -1.881 13.047 0.423 1.00 0.00 C ATOM 1294 O LEU A 87 -1.994 13.722 1.447 1.00 0.00 O ATOM 1295 CB LEU A 87 -0.164 11.250 0.705 1.00 0.00 C ATOM 1296 CG LEU A 87 -1.064 10.055 0.389 1.00 0.00 C ATOM 1297 CD1 LEU A 87 -0.688 9.442 -0.951 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -0.978 9.016 1.496 1.00 0.00 C ATOM 0 H LEU A 87 0.790 13.662 1.162 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.566 12.338 -1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.866 10.983 0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -0.204 11.441 1.777 1.00 0.00 H new ATOM 0 HG LEU A 87 -2.094 10.407 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.339 8.593 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.803 10.188 -1.737 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.348 9.105 -0.919 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.625 8.173 1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.051 8.669 1.590 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.298 9.461 2.438 1.00 0.00 H new ATOM 1310 N PHE A 88 -2.916 12.717 -0.342 1.00 0.00 N ATOM 1311 CA PHE A 88 -4.274 13.138 -0.016 1.00 0.00 C ATOM 1312 C PHE A 88 -4.929 12.158 0.953 1.00 0.00 C ATOM 1313 O PHE A 88 -5.688 12.557 1.837 1.00 0.00 O ATOM 1314 CB PHE A 88 -5.114 13.253 -1.289 1.00 0.00 C ATOM 1315 CG PHE A 88 -5.756 11.959 -1.703 1.00 0.00 C ATOM 1316 CD1 PHE A 88 -4.985 10.832 -1.938 1.00 0.00 C ATOM 1317 CD2 PHE A 88 -7.130 11.870 -1.857 1.00 0.00 C ATOM 1318 CE1 PHE A 88 -5.572 9.640 -2.318 1.00 0.00 C ATOM 1319 CE2 PHE A 88 -7.722 10.681 -2.237 1.00 0.00 C ATOM 1320 CZ PHE A 88 -6.942 9.565 -2.469 1.00 0.00 C ATOM 0 H PHE A 88 -2.841 12.159 -1.193 1.00 0.00 H new ATOM 0 HA PHE A 88 -4.220 14.115 0.464 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.891 14.002 -1.136 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -4.481 13.612 -2.101 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.913 10.886 -1.823 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.745 12.740 -1.678 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.960 8.768 -2.497 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.794 10.624 -2.353 1.00 0.00 H new ATOM 0 HZ PHE A 88 -7.403 8.635 -2.768 1.00 0.00 H new ATOM 1330 N SER A 89 -4.630 10.875 0.780 1.00 0.00 N ATOM 1331 CA SER A 89 -5.193 9.837 1.635 1.00 0.00 C ATOM 1332 C SER A 89 -6.710 9.973 1.729 1.00 0.00 C ATOM 1333 O SER A 89 -7.289 9.865 2.809 1.00 0.00 O ATOM 1334 CB SER A 89 -4.577 9.909 3.034 1.00 0.00 C ATOM 1335 OG SER A 89 -5.083 8.881 3.868 1.00 0.00 O ATOM 0 H SER A 89 -4.001 10.529 0.055 1.00 0.00 H new ATOM 0 HA SER A 89 -4.959 8.870 1.191 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.493 9.823 2.962 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.791 10.881 3.479 1.00 0.00 H new ATOM 0 HG SER A 89 -6.060 8.854 3.798 1.00 0.00 H new