USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 488 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 26 HIS : no HE2:sc= -12.3! C(o=-19!,f=-21!) USER MOD Set 1.2: A 30 HIS : no HE2:sc= -6.23! C(o=-19!,f=-22!) USER MOD Set 1.3: A 43 LYS NZ :NH3+ 135:sc= -0.129 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -156:sc= -0.0173 (180deg=-0.347) USER MOD Single : A 12 MET CE :methyl 162:sc= -1.06 (180deg=-1.98) USER MOD Single : A 13 SER OG : rot 180:sc= -0.263 USER MOD Single : A 14 SER OG : rot -150:sc= -1.58 USER MOD Single : A 15 TYR OH : rot 171:sc= -1.93 USER MOD Single : A 20 GLN : amide:sc= -0.837 K(o=-0.84,f=-3.7!) USER MOD Single : A 21 THR OG1 : rot 98:sc= 1.29 USER MOD Single : A 22 SER OG : rot 147:sc= 0.148 USER MOD Single : A 27 LYS NZ :NH3+ -152:sc= -0.0835 (180deg=-0.685) USER MOD Single : A 28 LYS NZ :NH3+ -164:sc= -0.0212 (180deg=-0.296) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot -3:sc= 0.805 USER MOD Single : A 36 ASN : amide:sc= -2.81 X(o=-2.8,f=-2.5) USER MOD Single : A 38 SER OG : rot -45:sc= 0.534 USER MOD Single : A 41 SER OG : rot 180:sc= 0.00383 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 110:sc= -2.33 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 MET CE :methyl -158:sc= -0.637 (180deg=-1.78) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0292 USER MOD Single : A 54 LYS NZ :NH3+ -161:sc= -0.0196 (180deg=-0.28) USER MOD Single : A 56 LYS NZ :NH3+ -128:sc= 1.91 (180deg=-1.06) USER MOD Single : A 58 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0369) USER MOD Single : A 62 MET CE :methyl 178:sc= -0.505 (180deg=-0.52) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 154 N LYS A 11 -9.121 -5.614 4.167 1.00 0.00 N ATOM 155 CA LYS A 11 -8.778 -4.362 3.426 1.00 0.00 C ATOM 156 C LYS A 11 -7.391 -3.827 3.822 1.00 0.00 C ATOM 157 O LYS A 11 -7.203 -3.290 4.895 1.00 0.00 O ATOM 158 CB LYS A 11 -9.858 -3.301 3.745 1.00 0.00 C ATOM 159 CG LYS A 11 -10.347 -3.479 5.195 1.00 0.00 C ATOM 160 CD LYS A 11 -11.201 -2.273 5.609 1.00 0.00 C ATOM 161 CE LYS A 11 -11.413 -2.305 7.125 1.00 0.00 C ATOM 162 NZ LYS A 11 -11.947 -3.632 7.547 1.00 0.00 N ATOM 0 HA LYS A 11 -8.749 -4.580 2.358 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -9.449 -2.300 3.609 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.695 -3.400 3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.930 -4.396 5.282 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -9.494 -3.579 5.866 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.708 -1.346 5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -12.162 -2.298 5.095 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.470 -2.106 7.635 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -12.106 -1.517 7.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.457 -3.531 8.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.598 -3.992 6.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.160 -4.300 7.668 1.00 0.00 H new ATOM 176 N MET A 12 -6.454 -3.996 2.929 1.00 0.00 N ATOM 177 CA MET A 12 -5.072 -3.522 3.192 1.00 0.00 C ATOM 178 C MET A 12 -5.031 -2.006 3.405 1.00 0.00 C ATOM 179 O MET A 12 -5.915 -1.290 2.978 1.00 0.00 O ATOM 180 CB MET A 12 -4.212 -3.878 1.945 1.00 0.00 C ATOM 181 CG MET A 12 -3.552 -5.248 2.139 1.00 0.00 C ATOM 182 SD MET A 12 -2.728 -5.980 0.702 1.00 0.00 S ATOM 183 CE MET A 12 -1.950 -4.463 0.089 1.00 0.00 C ATOM 0 H MET A 12 -6.591 -4.445 2.024 1.00 0.00 H new ATOM 0 HA MET A 12 -4.693 -3.998 4.096 1.00 0.00 H new ATOM 0 HB2 MET A 12 -4.838 -3.889 1.052 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.449 -3.116 1.790 1.00 0.00 H new ATOM 0 HG2 MET A 12 -2.818 -5.159 2.940 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.316 -5.946 2.482 1.00 0.00 H new ATOM 0 HE1 MET A 12 -1.142 -4.720 -0.596 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.692 -3.859 -0.434 1.00 0.00 H new ATOM 0 HE3 MET A 12 -1.547 -3.896 0.928 1.00 0.00 H new ATOM 193 N SER A 13 -3.984 -1.557 4.062 1.00 0.00 N ATOM 194 CA SER A 13 -3.838 -0.101 4.323 1.00 0.00 C ATOM 195 C SER A 13 -3.230 0.580 3.102 1.00 0.00 C ATOM 196 O SER A 13 -2.719 -0.076 2.218 1.00 0.00 O ATOM 197 CB SER A 13 -2.888 0.082 5.521 1.00 0.00 C ATOM 198 OG SER A 13 -2.877 1.485 5.741 1.00 0.00 O ATOM 0 H SER A 13 -3.230 -2.141 4.425 1.00 0.00 H new ATOM 0 HA SER A 13 -4.813 0.339 4.534 1.00 0.00 H new ATOM 0 HB2 SER A 13 -3.245 -0.457 6.399 1.00 0.00 H new ATOM 0 HB3 SER A 13 -1.890 -0.295 5.300 1.00 0.00 H new ATOM 0 HG SER A 13 -2.290 1.693 6.498 1.00 0.00 H new ATOM 204 N SER A 14 -3.279 1.883 3.073 1.00 0.00 N ATOM 205 CA SER A 14 -2.708 2.596 1.919 1.00 0.00 C ATOM 206 C SER A 14 -1.227 2.316 1.804 1.00 0.00 C ATOM 207 O SER A 14 -0.671 2.318 0.722 1.00 0.00 O ATOM 208 CB SER A 14 -2.924 4.099 2.134 1.00 0.00 C ATOM 209 OG SER A 14 -2.698 4.664 0.862 1.00 0.00 O ATOM 0 H SER A 14 -3.689 2.473 3.797 1.00 0.00 H new ATOM 0 HA SER A 14 -3.195 2.261 1.003 1.00 0.00 H new ATOM 0 HB2 SER A 14 -3.932 4.310 2.490 1.00 0.00 H new ATOM 0 HB3 SER A 14 -2.233 4.499 2.876 1.00 0.00 H new ATOM 0 HG SER A 14 -2.347 5.573 0.966 1.00 0.00 H new ATOM 215 N TYR A 15 -0.608 2.075 2.923 1.00 0.00 N ATOM 216 CA TYR A 15 0.839 1.791 2.902 1.00 0.00 C ATOM 217 C TYR A 15 1.057 0.384 2.393 1.00 0.00 C ATOM 218 O TYR A 15 1.871 0.150 1.531 1.00 0.00 O ATOM 219 CB TYR A 15 1.393 1.892 4.346 1.00 0.00 C ATOM 220 CG TYR A 15 2.801 1.260 4.418 1.00 0.00 C ATOM 221 CD1 TYR A 15 3.748 1.506 3.433 1.00 0.00 C ATOM 222 CD2 TYR A 15 3.128 0.409 5.450 1.00 0.00 C ATOM 223 CE1 TYR A 15 4.983 0.913 3.486 1.00 0.00 C ATOM 224 CE2 TYR A 15 4.371 -0.185 5.498 1.00 0.00 C ATOM 225 CZ TYR A 15 5.303 0.062 4.514 1.00 0.00 C ATOM 226 OH TYR A 15 6.524 -0.552 4.550 1.00 0.00 O ATOM 0 H TYR A 15 -1.045 2.064 3.845 1.00 0.00 H new ATOM 0 HA TYR A 15 1.348 2.505 2.255 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.438 2.936 4.655 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.722 1.384 5.038 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.509 2.171 2.617 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.406 0.206 6.227 1.00 0.00 H new ATOM 0 HE1 TYR A 15 5.709 1.117 2.713 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.616 -0.849 6.313 1.00 0.00 H new ATOM 0 HH TYR A 15 6.638 -1.002 5.413 1.00 0.00 H new ATOM 236 N ALA A 16 0.333 -0.532 2.955 1.00 0.00 N ATOM 237 CA ALA A 16 0.479 -1.925 2.521 1.00 0.00 C ATOM 238 C ALA A 16 0.257 -2.025 1.021 1.00 0.00 C ATOM 239 O ALA A 16 0.764 -2.923 0.375 1.00 0.00 O ATOM 240 CB ALA A 16 -0.563 -2.775 3.248 1.00 0.00 C ATOM 0 H ALA A 16 -0.351 -0.370 3.694 1.00 0.00 H new ATOM 0 HA ALA A 16 1.483 -2.280 2.754 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.467 -3.815 2.935 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.404 -2.704 4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.562 -2.414 3.004 1.00 0.00 H new ATOM 246 N PHE A 17 -0.504 -1.099 0.482 1.00 0.00 N ATOM 247 CA PHE A 17 -0.756 -1.137 -0.979 1.00 0.00 C ATOM 248 C PHE A 17 0.501 -0.690 -1.698 1.00 0.00 C ATOM 249 O PHE A 17 0.791 -1.130 -2.786 1.00 0.00 O ATOM 250 CB PHE A 17 -1.940 -0.165 -1.307 1.00 0.00 C ATOM 251 CG PHE A 17 -3.201 -0.957 -1.693 1.00 0.00 C ATOM 252 CD1 PHE A 17 -3.381 -1.403 -2.990 1.00 0.00 C ATOM 253 CD2 PHE A 17 -4.193 -1.200 -0.757 1.00 0.00 C ATOM 254 CE1 PHE A 17 -4.533 -2.072 -3.344 1.00 0.00 C ATOM 255 CE2 PHE A 17 -5.342 -1.871 -1.117 1.00 0.00 C ATOM 256 CZ PHE A 17 -5.513 -2.304 -2.407 1.00 0.00 C ATOM 0 H PHE A 17 -0.951 -0.334 0.988 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.017 -2.145 -1.302 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.150 0.465 -0.443 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.657 0.499 -2.124 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.614 -1.226 -3.730 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.065 -0.862 0.261 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -4.666 -2.415 -4.359 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -6.110 -2.056 -0.381 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.416 -2.826 -2.687 1.00 0.00 H new ATOM 266 N PHE A 18 1.222 0.181 -1.063 1.00 0.00 N ATOM 267 CA PHE A 18 2.474 0.681 -1.678 1.00 0.00 C ATOM 268 C PHE A 18 3.561 -0.358 -1.498 1.00 0.00 C ATOM 269 O PHE A 18 4.579 -0.312 -2.162 1.00 0.00 O ATOM 270 CB PHE A 18 2.869 2.013 -0.988 1.00 0.00 C ATOM 271 CG PHE A 18 4.347 2.340 -1.241 1.00 0.00 C ATOM 272 CD1 PHE A 18 5.335 1.788 -0.443 1.00 0.00 C ATOM 273 CD2 PHE A 18 4.710 3.211 -2.252 1.00 0.00 C ATOM 274 CE1 PHE A 18 6.661 2.103 -0.655 1.00 0.00 C ATOM 275 CE2 PHE A 18 6.036 3.526 -2.461 1.00 0.00 C ATOM 276 CZ PHE A 18 7.010 2.971 -1.663 1.00 0.00 C ATOM 0 H PHE A 18 1.000 0.568 -0.146 1.00 0.00 H new ATOM 0 HA PHE A 18 2.335 0.861 -2.744 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.243 2.822 -1.364 1.00 0.00 H new ATOM 0 HB3 PHE A 18 2.686 1.941 0.084 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.066 1.107 0.350 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.949 3.648 -2.882 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.426 1.668 -0.029 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.310 4.209 -3.252 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.049 3.217 -1.828 1.00 0.00 H new ATOM 286 N VAL A 19 3.322 -1.292 -0.588 1.00 0.00 N ATOM 287 CA VAL A 19 4.321 -2.348 -0.347 1.00 0.00 C ATOM 288 C VAL A 19 4.161 -3.420 -1.357 1.00 0.00 C ATOM 289 O VAL A 19 5.110 -3.823 -1.954 1.00 0.00 O ATOM 290 CB VAL A 19 4.131 -2.951 1.050 1.00 0.00 C ATOM 291 CG1 VAL A 19 5.065 -4.167 1.211 1.00 0.00 C ATOM 292 CG2 VAL A 19 4.524 -1.918 2.075 1.00 0.00 C ATOM 0 H VAL A 19 2.479 -1.350 -0.017 1.00 0.00 H new ATOM 0 HA VAL A 19 5.317 -1.910 -0.419 1.00 0.00 H new ATOM 0 HB VAL A 19 3.093 -3.255 1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.933 -4.598 2.203 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.823 -4.914 0.455 1.00 0.00 H new ATOM 0 HG13 VAL A 19 6.100 -3.849 1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 19 4.395 -2.331 3.076 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.568 -1.640 1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.894 -1.036 1.962 1.00 0.00 H new ATOM 302 N GLN A 20 2.950 -3.883 -1.533 1.00 0.00 N ATOM 303 CA GLN A 20 2.752 -4.945 -2.528 1.00 0.00 C ATOM 304 C GLN A 20 3.210 -4.426 -3.869 1.00 0.00 C ATOM 305 O GLN A 20 3.565 -5.176 -4.756 1.00 0.00 O ATOM 306 CB GLN A 20 1.246 -5.373 -2.557 1.00 0.00 C ATOM 307 CG GLN A 20 0.393 -4.420 -3.453 1.00 0.00 C ATOM 308 CD GLN A 20 0.214 -5.024 -4.858 1.00 0.00 C ATOM 309 OE1 GLN A 20 1.073 -4.917 -5.708 1.00 0.00 O ATOM 310 NE2 GLN A 20 -0.892 -5.659 -5.139 1.00 0.00 N ATOM 0 H GLN A 20 2.115 -3.572 -1.037 1.00 0.00 H new ATOM 0 HA GLN A 20 3.335 -5.829 -2.272 1.00 0.00 H new ATOM 0 HB2 GLN A 20 1.165 -6.394 -2.931 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.848 -5.372 -1.542 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.582 -4.254 -2.994 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.880 -3.447 -3.527 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -1.620 -5.754 -4.431 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -1.028 -6.060 -6.067 1.00 0.00 H new ATOM 319 N THR A 21 3.211 -3.115 -3.972 1.00 0.00 N ATOM 320 CA THR A 21 3.641 -2.479 -5.227 1.00 0.00 C ATOM 321 C THR A 21 5.151 -2.461 -5.276 1.00 0.00 C ATOM 322 O THR A 21 5.741 -2.596 -6.332 1.00 0.00 O ATOM 323 CB THR A 21 3.110 -1.043 -5.253 1.00 0.00 C ATOM 324 OG1 THR A 21 1.704 -1.166 -5.318 1.00 0.00 O ATOM 325 CG2 THR A 21 3.489 -0.349 -6.558 1.00 0.00 C ATOM 0 H THR A 21 2.930 -2.472 -3.232 1.00 0.00 H new ATOM 0 HA THR A 21 3.256 -3.031 -6.085 1.00 0.00 H new ATOM 0 HB THR A 21 3.497 -0.491 -4.397 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.325 -1.063 -4.420 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.101 0.670 -6.554 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.574 -0.324 -6.655 1.00 0.00 H new ATOM 0 HG23 THR A 21 3.062 -0.896 -7.398 1.00 0.00 H new ATOM 333 N SER A 22 5.755 -2.302 -4.115 1.00 0.00 N ATOM 334 CA SER A 22 7.242 -2.275 -4.057 1.00 0.00 C ATOM 335 C SER A 22 7.763 -3.703 -3.971 1.00 0.00 C ATOM 336 O SER A 22 8.924 -3.960 -4.188 1.00 0.00 O ATOM 337 CB SER A 22 7.669 -1.507 -2.795 1.00 0.00 C ATOM 338 OG SER A 22 7.644 -0.145 -3.194 1.00 0.00 O ATOM 0 H SER A 22 5.280 -2.192 -3.219 1.00 0.00 H new ATOM 0 HA SER A 22 7.644 -1.790 -4.947 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.986 -1.692 -1.966 1.00 0.00 H new ATOM 0 HB3 SER A 22 8.663 -1.807 -2.463 1.00 0.00 H new ATOM 0 HG SER A 22 7.381 0.414 -2.433 1.00 0.00 H new ATOM 344 N ARG A 23 6.861 -4.600 -3.662 1.00 0.00 N ATOM 345 CA ARG A 23 7.224 -6.034 -3.541 1.00 0.00 C ATOM 346 C ARG A 23 7.513 -6.637 -4.891 1.00 0.00 C ATOM 347 O ARG A 23 8.562 -7.203 -5.104 1.00 0.00 O ATOM 348 CB ARG A 23 6.035 -6.757 -2.908 1.00 0.00 C ATOM 349 CG ARG A 23 6.430 -8.191 -2.512 1.00 0.00 C ATOM 350 CD ARG A 23 5.494 -8.678 -1.398 1.00 0.00 C ATOM 351 NE ARG A 23 5.568 -10.164 -1.311 1.00 0.00 N ATOM 352 CZ ARG A 23 4.901 -10.893 -2.165 1.00 0.00 C ATOM 353 NH1 ARG A 23 4.183 -10.297 -3.081 1.00 0.00 N ATOM 354 NH2 ARG A 23 4.971 -12.191 -2.075 1.00 0.00 N ATOM 0 H ARG A 23 5.878 -4.391 -3.487 1.00 0.00 H new ATOM 0 HA ARG A 23 8.122 -6.135 -2.932 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.695 -6.210 -2.028 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.201 -6.783 -3.610 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.363 -8.852 -3.376 1.00 0.00 H new ATOM 0 HG3 ARG A 23 7.465 -8.216 -2.172 1.00 0.00 H new ATOM 0 HD2 ARG A 23 5.779 -8.231 -0.446 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.471 -8.364 -1.603 1.00 0.00 H new ATOM 0 HE ARG A 23 6.136 -10.609 -0.589 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.150 -9.278 -3.120 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.656 -10.851 -3.756 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.540 -12.622 -1.346 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.457 -12.776 -2.733 1.00 0.00 H new ATOM 368 N GLU A 24 6.577 -6.520 -5.775 1.00 0.00 N ATOM 369 CA GLU A 24 6.791 -7.085 -7.126 1.00 0.00 C ATOM 370 C GLU A 24 8.036 -6.466 -7.729 1.00 0.00 C ATOM 371 O GLU A 24 8.728 -7.077 -8.520 1.00 0.00 O ATOM 372 CB GLU A 24 5.581 -6.738 -8.005 1.00 0.00 C ATOM 373 CG GLU A 24 4.339 -7.430 -7.443 1.00 0.00 C ATOM 374 CD GLU A 24 3.171 -7.251 -8.415 1.00 0.00 C ATOM 375 OE1 GLU A 24 3.329 -6.437 -9.312 1.00 0.00 O ATOM 376 OE2 GLU A 24 2.185 -7.937 -8.205 1.00 0.00 O ATOM 0 H GLU A 24 5.678 -6.062 -5.625 1.00 0.00 H new ATOM 0 HA GLU A 24 6.909 -8.167 -7.065 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.431 -5.659 -8.029 1.00 0.00 H new ATOM 0 HB3 GLU A 24 5.758 -7.059 -9.032 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.539 -8.490 -7.289 1.00 0.00 H new ATOM 0 HG3 GLU A 24 4.084 -7.009 -6.470 1.00 0.00 H new ATOM 383 N GLU A 25 8.294 -5.249 -7.333 1.00 0.00 N ATOM 384 CA GLU A 25 9.475 -4.540 -7.845 1.00 0.00 C ATOM 385 C GLU A 25 10.733 -5.053 -7.140 1.00 0.00 C ATOM 386 O GLU A 25 11.797 -5.115 -7.722 1.00 0.00 O ATOM 387 CB GLU A 25 9.272 -3.017 -7.547 1.00 0.00 C ATOM 388 CG GLU A 25 8.824 -2.290 -8.823 1.00 0.00 C ATOM 389 CD GLU A 25 8.324 -0.890 -8.456 1.00 0.00 C ATOM 390 OE1 GLU A 25 8.839 -0.370 -7.480 1.00 0.00 O ATOM 391 OE2 GLU A 25 7.458 -0.420 -9.173 1.00 0.00 O ATOM 0 H GLU A 25 7.726 -4.721 -6.671 1.00 0.00 H new ATOM 0 HA GLU A 25 9.594 -4.707 -8.916 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.526 -2.887 -6.763 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.201 -2.583 -7.178 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.654 -2.220 -9.526 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.033 -2.853 -9.318 1.00 0.00 H new ATOM 398 N HIS A 26 10.574 -5.410 -5.899 1.00 0.00 N ATOM 399 CA HIS A 26 11.734 -5.924 -5.127 1.00 0.00 C ATOM 400 C HIS A 26 12.037 -7.363 -5.546 1.00 0.00 C ATOM 401 O HIS A 26 13.143 -7.821 -5.442 1.00 0.00 O ATOM 402 CB HIS A 26 11.353 -5.855 -3.606 1.00 0.00 C ATOM 403 CG HIS A 26 11.978 -7.005 -2.791 1.00 0.00 C ATOM 404 ND1 HIS A 26 12.820 -6.860 -1.880 1.00 0.00 N ATOM 405 CD2 HIS A 26 11.724 -8.362 -2.844 1.00 0.00 C ATOM 406 CE1 HIS A 26 13.126 -7.970 -1.348 1.00 0.00 C ATOM 407 NE2 HIS A 26 12.474 -8.993 -1.899 1.00 0.00 N ATOM 0 H HIS A 26 9.693 -5.368 -5.387 1.00 0.00 H new ATOM 0 HA HIS A 26 12.627 -5.328 -5.317 1.00 0.00 H new ATOM 0 HB2 HIS A 26 11.682 -4.901 -3.195 1.00 0.00 H new ATOM 0 HB3 HIS A 26 10.268 -5.889 -3.504 1.00 0.00 H new ATOM 0 HD1 HIS A 26 13.212 -5.961 -1.599 1.00 0.00 H new ATOM 0 HD2 HIS A 26 11.040 -8.845 -3.526 1.00 0.00 H new ATOM 0 HE1 HIS A 26 13.835 -8.074 -0.540 1.00 0.00 H new ATOM 415 N LYS A 27 11.043 -8.035 -6.032 1.00 0.00 N ATOM 416 CA LYS A 27 11.257 -9.431 -6.458 1.00 0.00 C ATOM 417 C LYS A 27 12.220 -9.495 -7.650 1.00 0.00 C ATOM 418 O LYS A 27 12.768 -10.535 -7.956 1.00 0.00 O ATOM 419 CB LYS A 27 9.890 -10.010 -6.883 1.00 0.00 C ATOM 420 CG LYS A 27 10.040 -11.506 -7.186 1.00 0.00 C ATOM 421 CD LYS A 27 8.654 -12.153 -7.259 1.00 0.00 C ATOM 422 CE LYS A 27 8.821 -13.669 -7.372 1.00 0.00 C ATOM 423 NZ LYS A 27 9.824 -14.004 -8.423 1.00 0.00 N ATOM 0 H LYS A 27 10.095 -7.679 -6.152 1.00 0.00 H new ATOM 0 HA LYS A 27 11.690 -10.001 -5.636 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.157 -9.860 -6.090 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.519 -9.485 -7.763 1.00 0.00 H new ATOM 0 HG2 LYS A 27 10.569 -11.646 -8.129 1.00 0.00 H new ATOM 0 HG3 LYS A 27 10.637 -11.987 -6.411 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.074 -11.903 -6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 27 8.103 -11.769 -8.118 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.139 -14.079 -6.413 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.863 -14.130 -7.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.607 -14.938 -8.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.791 -13.287 -9.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 10.775 -14.020 -8.003 1.00 0.00 H new ATOM 437 N LYS A 28 12.425 -8.371 -8.285 1.00 0.00 N ATOM 438 CA LYS A 28 13.343 -8.345 -9.458 1.00 0.00 C ATOM 439 C LYS A 28 14.820 -8.377 -9.055 1.00 0.00 C ATOM 440 O LYS A 28 15.682 -8.424 -9.911 1.00 0.00 O ATOM 441 CB LYS A 28 13.075 -7.057 -10.245 1.00 0.00 C ATOM 442 CG LYS A 28 11.693 -7.156 -10.894 1.00 0.00 C ATOM 443 CD LYS A 28 11.328 -5.815 -11.534 1.00 0.00 C ATOM 444 CE LYS A 28 9.835 -5.817 -11.872 1.00 0.00 C ATOM 445 NZ LYS A 28 9.496 -6.985 -12.734 1.00 0.00 N ATOM 0 H LYS A 28 11.999 -7.476 -8.043 1.00 0.00 H new ATOM 0 HA LYS A 28 13.150 -9.236 -10.055 1.00 0.00 H new ATOM 0 HB2 LYS A 28 13.120 -6.193 -9.582 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.841 -6.914 -11.007 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.690 -7.943 -11.648 1.00 0.00 H new ATOM 0 HG3 LYS A 28 10.948 -7.428 -10.146 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.559 -4.997 -10.852 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.919 -5.655 -12.436 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.248 -5.853 -10.954 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.571 -4.891 -12.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.566 -6.834 -13.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.217 -7.089 -13.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.469 -7.848 -12.154 1.00 0.00 H new ATOM 459 N LYS A 29 15.096 -8.344 -7.771 1.00 0.00 N ATOM 460 CA LYS A 29 16.531 -8.374 -7.336 1.00 0.00 C ATOM 461 C LYS A 29 16.673 -8.812 -5.872 1.00 0.00 C ATOM 462 O LYS A 29 17.434 -8.240 -5.117 1.00 0.00 O ATOM 463 CB LYS A 29 17.146 -6.962 -7.534 1.00 0.00 C ATOM 464 CG LYS A 29 16.371 -5.920 -6.702 1.00 0.00 C ATOM 465 CD LYS A 29 16.493 -4.535 -7.350 1.00 0.00 C ATOM 466 CE LYS A 29 15.734 -3.521 -6.490 1.00 0.00 C ATOM 467 NZ LYS A 29 16.067 -2.132 -6.905 1.00 0.00 N ATOM 0 H LYS A 29 14.407 -8.299 -7.020 1.00 0.00 H new ATOM 0 HA LYS A 29 17.063 -9.105 -7.945 1.00 0.00 H new ATOM 0 HB2 LYS A 29 18.194 -6.969 -7.235 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.117 -6.690 -8.589 1.00 0.00 H new ATOM 0 HG2 LYS A 29 15.322 -6.206 -6.632 1.00 0.00 H new ATOM 0 HG3 LYS A 29 16.762 -5.891 -5.685 1.00 0.00 H new ATOM 0 HD2 LYS A 29 17.541 -4.249 -7.435 1.00 0.00 H new ATOM 0 HD3 LYS A 29 16.085 -4.554 -8.361 1.00 0.00 H new ATOM 0 HE2 LYS A 29 14.661 -3.687 -6.584 1.00 0.00 H new ATOM 0 HE3 LYS A 29 15.988 -3.664 -5.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.544 -1.457 -6.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 17.088 -1.972 -6.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.802 -1.994 -7.901 1.00 0.00 H new ATOM 481 N HIS A 30 15.928 -9.837 -5.512 1.00 0.00 N ATOM 482 CA HIS A 30 15.974 -10.368 -4.111 1.00 0.00 C ATOM 483 C HIS A 30 15.553 -11.854 -4.114 1.00 0.00 C ATOM 484 O HIS A 30 14.480 -12.201 -3.659 1.00 0.00 O ATOM 485 CB HIS A 30 14.968 -9.586 -3.220 1.00 0.00 C ATOM 486 CG HIS A 30 15.543 -8.234 -2.792 1.00 0.00 C ATOM 487 ND1 HIS A 30 16.017 -7.991 -1.660 1.00 0.00 N ATOM 488 CD2 HIS A 30 15.565 -7.036 -3.459 1.00 0.00 C ATOM 489 CE1 HIS A 30 16.327 -6.769 -1.540 1.00 0.00 C ATOM 490 NE2 HIS A 30 16.078 -6.075 -2.646 1.00 0.00 N ATOM 0 H HIS A 30 15.287 -10.329 -6.135 1.00 0.00 H new ATOM 0 HA HIS A 30 16.987 -10.256 -3.724 1.00 0.00 H new ATOM 0 HB2 HIS A 30 14.038 -9.432 -3.767 1.00 0.00 H new ATOM 0 HB3 HIS A 30 14.725 -10.177 -2.337 1.00 0.00 H new ATOM 0 HD1 HIS A 30 16.138 -8.689 -0.926 1.00 0.00 H new ATOM 0 HD2 HIS A 30 15.227 -6.880 -4.473 1.00 0.00 H new ATOM 0 HE1 HIS A 30 16.746 -6.340 -0.642 1.00 0.00 H new ATOM 498 N PRO A 31 16.403 -12.710 -4.656 1.00 0.00 N ATOM 499 CA PRO A 31 16.093 -14.132 -4.705 1.00 0.00 C ATOM 500 C PRO A 31 16.113 -14.731 -3.290 1.00 0.00 C ATOM 501 O PRO A 31 17.151 -15.087 -2.767 1.00 0.00 O ATOM 502 CB PRO A 31 17.210 -14.754 -5.610 1.00 0.00 C ATOM 503 CG PRO A 31 18.245 -13.613 -5.907 1.00 0.00 C ATOM 504 CD PRO A 31 17.693 -12.316 -5.253 1.00 0.00 C ATOM 0 HA PRO A 31 15.099 -14.333 -5.104 1.00 0.00 H new ATOM 0 HB2 PRO A 31 17.693 -15.592 -5.107 1.00 0.00 H new ATOM 0 HB3 PRO A 31 16.785 -15.141 -6.536 1.00 0.00 H new ATOM 0 HG2 PRO A 31 19.224 -13.864 -5.498 1.00 0.00 H new ATOM 0 HG3 PRO A 31 18.373 -13.479 -6.981 1.00 0.00 H new ATOM 0 HD2 PRO A 31 18.378 -11.933 -4.496 1.00 0.00 H new ATOM 0 HD3 PRO A 31 17.561 -11.526 -5.992 1.00 0.00 H new ATOM 512 N ASP A 32 14.956 -14.796 -2.690 1.00 0.00 N ATOM 513 CA ASP A 32 14.868 -15.358 -1.320 1.00 0.00 C ATOM 514 C ASP A 32 15.800 -14.600 -0.377 1.00 0.00 C ATOM 515 O ASP A 32 16.418 -15.178 0.494 1.00 0.00 O ATOM 516 CB ASP A 32 15.280 -16.853 -1.370 1.00 0.00 C ATOM 517 CG ASP A 32 14.623 -17.606 -0.207 1.00 0.00 C ATOM 518 OD1 ASP A 32 15.195 -17.546 0.869 1.00 0.00 O ATOM 519 OD2 ASP A 32 13.587 -18.197 -0.461 1.00 0.00 O ATOM 0 H ASP A 32 14.072 -14.484 -3.091 1.00 0.00 H new ATOM 0 HA ASP A 32 13.847 -15.262 -0.951 1.00 0.00 H new ATOM 0 HB2 ASP A 32 14.976 -17.293 -2.320 1.00 0.00 H new ATOM 0 HB3 ASP A 32 16.364 -16.944 -1.309 1.00 0.00 H new ATOM 524 N ALA A 33 15.880 -13.313 -0.582 1.00 0.00 N ATOM 525 CA ALA A 33 16.753 -12.480 0.273 1.00 0.00 C ATOM 526 C ALA A 33 16.439 -12.691 1.750 1.00 0.00 C ATOM 527 O ALA A 33 17.106 -13.447 2.430 1.00 0.00 O ATOM 528 CB ALA A 33 16.492 -11.006 -0.077 1.00 0.00 C ATOM 0 H ALA A 33 15.374 -12.807 -1.309 1.00 0.00 H new ATOM 0 HA ALA A 33 17.793 -12.757 0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 33 17.124 -10.368 0.540 1.00 0.00 H new ATOM 0 HB2 ALA A 33 16.722 -10.836 -1.129 1.00 0.00 H new ATOM 0 HB3 ALA A 33 15.445 -10.768 0.109 1.00 0.00 H new ATOM 534 N SER A 34 15.425 -12.008 2.210 1.00 0.00 N ATOM 535 CA SER A 34 15.021 -12.131 3.637 1.00 0.00 C ATOM 536 C SER A 34 13.560 -11.737 3.791 1.00 0.00 C ATOM 537 O SER A 34 13.098 -11.429 4.873 1.00 0.00 O ATOM 538 CB SER A 34 15.881 -11.158 4.469 1.00 0.00 C ATOM 539 OG SER A 34 17.164 -11.764 4.510 1.00 0.00 O ATOM 0 H SER A 34 14.858 -11.368 1.654 1.00 0.00 H new ATOM 0 HA SER A 34 15.160 -13.159 3.973 1.00 0.00 H new ATOM 0 HB2 SER A 34 15.923 -10.171 4.008 1.00 0.00 H new ATOM 0 HB3 SER A 34 15.473 -11.025 5.471 1.00 0.00 H new ATOM 0 HG SER A 34 17.132 -12.629 4.051 1.00 0.00 H new ATOM 545 N VAL A 35 12.854 -11.762 2.700 1.00 0.00 N ATOM 546 CA VAL A 35 11.431 -11.394 2.753 1.00 0.00 C ATOM 547 C VAL A 35 10.631 -12.326 3.645 1.00 0.00 C ATOM 548 O VAL A 35 10.632 -13.528 3.466 1.00 0.00 O ATOM 549 CB VAL A 35 10.855 -11.450 1.338 1.00 0.00 C ATOM 550 CG1 VAL A 35 9.473 -10.804 1.345 1.00 0.00 C ATOM 551 CG2 VAL A 35 11.766 -10.672 0.392 1.00 0.00 C ATOM 0 H VAL A 35 13.206 -12.022 1.779 1.00 0.00 H new ATOM 0 HA VAL A 35 11.360 -10.389 3.170 1.00 0.00 H new ATOM 0 HB VAL A 35 10.783 -12.486 1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 35 9.051 -10.837 0.341 1.00 0.00 H new ATOM 0 HG12 VAL A 35 8.822 -11.346 2.031 1.00 0.00 H new ATOM 0 HG13 VAL A 35 9.558 -9.767 1.669 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.359 -10.710 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 35 11.829 -9.634 0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 35 12.761 -11.116 0.399 1.00 0.00 H new ATOM 561 N ASN A 36 9.952 -11.730 4.590 1.00 0.00 N ATOM 562 CA ASN A 36 9.122 -12.515 5.536 1.00 0.00 C ATOM 563 C ASN A 36 8.021 -11.628 6.096 1.00 0.00 C ATOM 564 O ASN A 36 7.462 -11.910 7.139 1.00 0.00 O ATOM 565 CB ASN A 36 10.013 -12.985 6.701 1.00 0.00 C ATOM 566 CG ASN A 36 11.100 -13.921 6.170 1.00 0.00 C ATOM 567 OD1 ASN A 36 10.826 -15.016 5.722 1.00 0.00 O ATOM 568 ND2 ASN A 36 12.343 -13.530 6.206 1.00 0.00 N ATOM 0 H ASN A 36 9.940 -10.722 4.744 1.00 0.00 H new ATOM 0 HA ASN A 36 8.684 -13.370 5.021 1.00 0.00 H new ATOM 0 HB2 ASN A 36 10.468 -12.126 7.194 1.00 0.00 H new ATOM 0 HB3 ASN A 36 9.410 -13.499 7.449 1.00 0.00 H new ATOM 0 HD21 ASN A 36 13.081 -14.143 5.859 1.00 0.00 H new ATOM 0 HD22 ASN A 36 12.578 -12.611 6.581 1.00 0.00 H new ATOM 575 N PHE A 37 7.734 -10.563 5.373 1.00 0.00 N ATOM 576 CA PHE A 37 6.676 -9.617 5.818 1.00 0.00 C ATOM 577 C PHE A 37 6.923 -9.207 7.269 1.00 0.00 C ATOM 578 O PHE A 37 6.012 -8.958 8.038 1.00 0.00 O ATOM 579 CB PHE A 37 5.293 -10.300 5.644 1.00 0.00 C ATOM 580 CG PHE A 37 4.878 -10.164 4.175 1.00 0.00 C ATOM 581 CD1 PHE A 37 5.523 -10.895 3.195 1.00 0.00 C ATOM 582 CD2 PHE A 37 3.899 -9.257 3.804 1.00 0.00 C ATOM 583 CE1 PHE A 37 5.199 -10.719 1.865 1.00 0.00 C ATOM 584 CE2 PHE A 37 3.578 -9.083 2.474 1.00 0.00 C ATOM 585 CZ PHE A 37 4.228 -9.813 1.508 1.00 0.00 C ATOM 0 H PHE A 37 8.192 -10.317 4.496 1.00 0.00 H new ATOM 0 HA PHE A 37 6.696 -8.710 5.214 1.00 0.00 H new ATOM 0 HB2 PHE A 37 5.349 -11.351 5.928 1.00 0.00 H new ATOM 0 HB3 PHE A 37 4.553 -9.833 6.294 1.00 0.00 H new ATOM 0 HD1 PHE A 37 6.285 -11.608 3.472 1.00 0.00 H new ATOM 0 HD2 PHE A 37 3.384 -8.683 4.560 1.00 0.00 H new ATOM 0 HE1 PHE A 37 5.708 -11.293 1.105 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.815 -8.373 2.191 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.976 -9.675 0.467 1.00 0.00 H new ATOM 595 N SER A 38 8.184 -9.141 7.595 1.00 0.00 N ATOM 596 CA SER A 38 8.597 -8.758 8.963 1.00 0.00 C ATOM 597 C SER A 38 10.010 -8.201 8.910 1.00 0.00 C ATOM 598 O SER A 38 10.645 -7.993 9.927 1.00 0.00 O ATOM 599 CB SER A 38 8.583 -10.010 9.853 1.00 0.00 C ATOM 600 OG SER A 38 8.673 -9.498 11.175 1.00 0.00 O ATOM 0 H SER A 38 8.954 -9.341 6.957 1.00 0.00 H new ATOM 0 HA SER A 38 7.917 -8.008 9.366 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.671 -10.589 9.711 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.419 -10.671 9.624 1.00 0.00 H new ATOM 0 HG SER A 38 9.361 -8.801 11.210 1.00 0.00 H new ATOM 606 N GLU A 39 10.475 -7.979 7.701 1.00 0.00 N ATOM 607 CA GLU A 39 11.846 -7.433 7.508 1.00 0.00 C ATOM 608 C GLU A 39 11.941 -6.716 6.167 1.00 0.00 C ATOM 609 O GLU A 39 12.843 -5.933 5.941 1.00 0.00 O ATOM 610 CB GLU A 39 12.842 -8.607 7.523 1.00 0.00 C ATOM 611 CG GLU A 39 14.257 -8.080 7.230 1.00 0.00 C ATOM 612 CD GLU A 39 15.298 -9.111 7.688 1.00 0.00 C ATOM 613 OE1 GLU A 39 14.915 -10.264 7.790 1.00 0.00 O ATOM 614 OE2 GLU A 39 16.421 -8.683 7.905 1.00 0.00 O ATOM 0 H GLU A 39 9.957 -8.155 6.840 1.00 0.00 H new ATOM 0 HA GLU A 39 12.074 -6.725 8.304 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.821 -9.104 8.493 1.00 0.00 H new ATOM 0 HB3 GLU A 39 12.557 -9.350 6.778 1.00 0.00 H new ATOM 0 HG2 GLU A 39 14.369 -7.885 6.164 1.00 0.00 H new ATOM 0 HG3 GLU A 39 14.417 -7.133 7.746 1.00 0.00 H new ATOM 621 N PHE A 40 10.990 -7.003 5.304 1.00 0.00 N ATOM 622 CA PHE A 40 10.968 -6.370 3.960 1.00 0.00 C ATOM 623 C PHE A 40 10.228 -5.050 4.024 1.00 0.00 C ATOM 624 O PHE A 40 10.682 -4.064 3.497 1.00 0.00 O ATOM 625 CB PHE A 40 10.239 -7.323 2.995 1.00 0.00 C ATOM 626 CG PHE A 40 9.991 -6.616 1.663 1.00 0.00 C ATOM 627 CD1 PHE A 40 11.048 -6.091 0.943 1.00 0.00 C ATOM 628 CD2 PHE A 40 8.706 -6.475 1.171 1.00 0.00 C ATOM 629 CE1 PHE A 40 10.827 -5.436 -0.238 1.00 0.00 C ATOM 630 CE2 PHE A 40 8.487 -5.820 -0.013 1.00 0.00 C ATOM 631 CZ PHE A 40 9.545 -5.296 -0.720 1.00 0.00 C ATOM 0 H PHE A 40 10.226 -7.655 5.483 1.00 0.00 H new ATOM 0 HA PHE A 40 11.985 -6.184 3.616 1.00 0.00 H new ATOM 0 HB2 PHE A 40 10.836 -8.221 2.836 1.00 0.00 H new ATOM 0 HB3 PHE A 40 9.292 -7.642 3.430 1.00 0.00 H new ATOM 0 HD1 PHE A 40 12.056 -6.199 1.316 1.00 0.00 H new ATOM 0 HD2 PHE A 40 7.872 -6.883 1.722 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.659 -5.028 -0.793 1.00 0.00 H new ATOM 0 HE2 PHE A 40 7.481 -5.715 -0.392 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.370 -4.776 -1.650 1.00 0.00 H new ATOM 641 N SER A 41 9.068 -5.073 4.614 1.00 0.00 N ATOM 642 CA SER A 41 8.288 -3.827 4.727 1.00 0.00 C ATOM 643 C SER A 41 9.135 -2.762 5.399 1.00 0.00 C ATOM 644 O SER A 41 8.829 -1.606 5.337 1.00 0.00 O ATOM 645 CB SER A 41 7.045 -4.104 5.588 1.00 0.00 C ATOM 646 OG SER A 41 7.561 -4.743 6.747 1.00 0.00 O ATOM 0 H SER A 41 8.633 -5.901 5.020 1.00 0.00 H new ATOM 0 HA SER A 41 7.990 -3.481 3.737 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.522 -3.182 5.841 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.332 -4.742 5.065 1.00 0.00 H new ATOM 0 HG SER A 41 6.825 -4.956 7.358 1.00 0.00 H new ATOM 652 N LYS A 42 10.183 -3.175 6.056 1.00 0.00 N ATOM 653 CA LYS A 42 11.027 -2.178 6.712 1.00 0.00 C ATOM 654 C LYS A 42 11.584 -1.268 5.634 1.00 0.00 C ATOM 655 O LYS A 42 11.783 -0.085 5.832 1.00 0.00 O ATOM 656 CB LYS A 42 12.184 -2.908 7.406 1.00 0.00 C ATOM 657 CG LYS A 42 13.173 -1.879 7.964 1.00 0.00 C ATOM 658 CD LYS A 42 14.175 -2.590 8.888 1.00 0.00 C ATOM 659 CE LYS A 42 14.814 -3.773 8.144 1.00 0.00 C ATOM 660 NZ LYS A 42 16.111 -4.146 8.773 1.00 0.00 N ATOM 0 H LYS A 42 10.476 -4.147 6.158 1.00 0.00 H new ATOM 0 HA LYS A 42 10.463 -1.600 7.444 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.802 -3.535 8.211 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.688 -3.568 6.700 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.700 -1.384 7.148 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.639 -1.105 8.514 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.947 -1.891 9.211 1.00 0.00 H new ATOM 0 HD3 LYS A 42 13.669 -2.943 9.786 1.00 0.00 H new ATOM 0 HE2 LYS A 42 14.137 -4.627 8.158 1.00 0.00 H new ATOM 0 HE3 LYS A 42 14.973 -3.510 7.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 16.529 -4.947 8.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 16.760 -3.334 8.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 15.951 -4.418 9.764 1.00 0.00 H new ATOM 674 N LYS A 43 11.822 -1.869 4.496 1.00 0.00 N ATOM 675 CA LYS A 43 12.357 -1.131 3.353 1.00 0.00 C ATOM 676 C LYS A 43 11.287 -0.218 2.740 1.00 0.00 C ATOM 677 O LYS A 43 11.475 0.980 2.632 1.00 0.00 O ATOM 678 CB LYS A 43 12.782 -2.194 2.317 1.00 0.00 C ATOM 679 CG LYS A 43 13.920 -1.670 1.447 1.00 0.00 C ATOM 680 CD LYS A 43 14.482 -2.840 0.654 1.00 0.00 C ATOM 681 CE LYS A 43 15.453 -2.317 -0.404 1.00 0.00 C ATOM 682 NZ LYS A 43 15.943 -3.432 -1.263 1.00 0.00 N ATOM 0 H LYS A 43 11.659 -2.861 4.325 1.00 0.00 H new ATOM 0 HA LYS A 43 13.190 -0.498 3.658 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.097 -3.103 2.829 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.931 -2.460 1.690 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.558 -0.892 0.774 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.697 -1.221 2.066 1.00 0.00 H new ATOM 0 HD2 LYS A 43 14.993 -3.534 1.321 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.672 -3.394 0.178 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.958 -1.566 -1.020 1.00 0.00 H new ATOM 0 HE3 LYS A 43 16.297 -1.826 0.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.912 -3.141 -2.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 16.921 -3.668 -1.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.338 -4.267 -1.127 1.00 0.00 H new ATOM 696 N CYS A 44 10.178 -0.805 2.351 1.00 0.00 N ATOM 697 CA CYS A 44 9.105 0.000 1.754 1.00 0.00 C ATOM 698 C CYS A 44 8.688 1.119 2.686 1.00 0.00 C ATOM 699 O CYS A 44 8.425 2.228 2.264 1.00 0.00 O ATOM 700 CB CYS A 44 7.936 -0.921 1.540 1.00 0.00 C ATOM 701 SG CYS A 44 8.139 -2.247 0.329 1.00 0.00 S ATOM 0 H CYS A 44 9.986 -1.804 2.428 1.00 0.00 H new ATOM 0 HA CYS A 44 9.447 0.448 0.821 1.00 0.00 H new ATOM 0 HB2 CYS A 44 7.684 -1.375 2.498 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.081 -0.316 1.239 1.00 0.00 H new ATOM 0 HG CYS A 44 8.203 -3.390 0.944 1.00 0.00 H new ATOM 707 N SER A 45 8.629 0.795 3.934 1.00 0.00 N ATOM 708 CA SER A 45 8.232 1.810 4.943 1.00 0.00 C ATOM 709 C SER A 45 9.118 3.037 4.842 1.00 0.00 C ATOM 710 O SER A 45 8.641 4.143 4.713 1.00 0.00 O ATOM 711 CB SER A 45 8.398 1.193 6.346 1.00 0.00 C ATOM 712 OG SER A 45 8.343 2.308 7.227 1.00 0.00 O ATOM 0 H SER A 45 8.838 -0.131 4.307 1.00 0.00 H new ATOM 0 HA SER A 45 7.198 2.106 4.766 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.606 0.476 6.562 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.344 0.660 6.437 1.00 0.00 H new ATOM 0 HG SER A 45 8.440 1.999 8.152 1.00 0.00 H new ATOM 718 N GLU A 46 10.398 2.822 4.904 1.00 0.00 N ATOM 719 CA GLU A 46 11.323 3.967 4.811 1.00 0.00 C ATOM 720 C GLU A 46 11.174 4.659 3.466 1.00 0.00 C ATOM 721 O GLU A 46 11.687 5.744 3.274 1.00 0.00 O ATOM 722 CB GLU A 46 12.763 3.442 4.954 1.00 0.00 C ATOM 723 CG GLU A 46 13.038 3.136 6.426 1.00 0.00 C ATOM 724 CD GLU A 46 14.311 2.295 6.539 1.00 0.00 C ATOM 725 OE1 GLU A 46 14.249 1.158 6.101 1.00 0.00 O ATOM 726 OE2 GLU A 46 15.274 2.838 7.056 1.00 0.00 O ATOM 0 H GLU A 46 10.837 1.908 5.014 1.00 0.00 H new ATOM 0 HA GLU A 46 11.095 4.684 5.600 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.898 2.544 4.351 1.00 0.00 H new ATOM 0 HB3 GLU A 46 13.472 4.183 4.585 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.150 4.064 6.987 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.195 2.600 6.862 1.00 0.00 H new ATOM 733 N ARG A 47 10.469 3.995 2.557 1.00 0.00 N ATOM 734 CA ARG A 47 10.241 4.554 1.188 1.00 0.00 C ATOM 735 C ARG A 47 8.820 5.120 1.045 1.00 0.00 C ATOM 736 O ARG A 47 8.511 5.766 0.064 1.00 0.00 O ATOM 737 CB ARG A 47 10.434 3.403 0.169 1.00 0.00 C ATOM 738 CG ARG A 47 10.830 3.993 -1.197 1.00 0.00 C ATOM 739 CD ARG A 47 11.161 2.860 -2.186 1.00 0.00 C ATOM 740 NE ARG A 47 12.103 3.393 -3.211 1.00 0.00 N ATOM 741 CZ ARG A 47 12.513 2.621 -4.180 1.00 0.00 C ATOM 742 NH1 ARG A 47 12.091 1.387 -4.233 1.00 0.00 N ATOM 743 NH2 ARG A 47 13.333 3.112 -5.069 1.00 0.00 N ATOM 0 H ARG A 47 10.043 3.082 2.718 1.00 0.00 H new ATOM 0 HA ARG A 47 10.945 5.367 1.010 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.206 2.717 0.519 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.514 2.826 0.076 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.015 4.602 -1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.692 4.650 -1.082 1.00 0.00 H new ATOM 0 HD2 ARG A 47 11.609 2.017 -1.661 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.251 2.493 -2.661 1.00 0.00 H new ATOM 0 HE ARG A 47 12.426 4.359 -3.155 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.449 1.037 -3.522 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.404 0.773 -4.985 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.641 4.082 -4.998 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.666 2.526 -5.835 1.00 0.00 H new ATOM 757 N TRP A 48 7.985 4.843 2.041 1.00 0.00 N ATOM 758 CA TRP A 48 6.556 5.336 2.031 1.00 0.00 C ATOM 759 C TRP A 48 6.378 6.519 2.990 1.00 0.00 C ATOM 760 O TRP A 48 5.954 7.588 2.591 1.00 0.00 O ATOM 761 CB TRP A 48 5.692 4.141 2.496 1.00 0.00 C ATOM 762 CG TRP A 48 4.333 4.587 3.062 1.00 0.00 C ATOM 763 CD1 TRP A 48 4.088 4.715 4.349 1.00 0.00 C ATOM 764 CD2 TRP A 48 3.234 4.723 2.362 1.00 0.00 C ATOM 765 NE1 TRP A 48 2.764 4.917 4.408 1.00 0.00 N ATOM 766 CE2 TRP A 48 2.146 4.935 3.185 1.00 0.00 C ATOM 767 CE3 TRP A 48 3.059 4.679 1.002 1.00 0.00 C ATOM 768 CZ2 TRP A 48 0.890 5.086 2.654 1.00 0.00 C ATOM 769 CZ3 TRP A 48 1.791 4.842 0.466 1.00 0.00 C ATOM 770 CH2 TRP A 48 0.712 5.043 1.300 1.00 0.00 C ATOM 0 H TRP A 48 8.238 4.294 2.862 1.00 0.00 H new ATOM 0 HA TRP A 48 6.268 5.684 1.039 1.00 0.00 H new ATOM 0 HB2 TRP A 48 5.529 3.465 1.656 1.00 0.00 H new ATOM 0 HB3 TRP A 48 6.233 3.579 3.257 1.00 0.00 H new ATOM 0 HD1 TRP A 48 4.791 4.668 5.168 1.00 0.00 H new ATOM 0 HE1 TRP A 48 2.261 5.046 5.286 1.00 0.00 H new ATOM 0 HE3 TRP A 48 3.906 4.518 0.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 0.043 5.239 3.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.649 4.812 -0.604 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.276 5.167 0.882 1.00 0.00 H new ATOM 781 N LYS A 49 6.690 6.287 4.231 1.00 0.00 N ATOM 782 CA LYS A 49 6.553 7.380 5.265 1.00 0.00 C ATOM 783 C LYS A 49 7.224 8.670 4.791 1.00 0.00 C ATOM 784 O LYS A 49 6.992 9.733 5.333 1.00 0.00 O ATOM 785 CB LYS A 49 7.290 6.955 6.574 1.00 0.00 C ATOM 786 CG LYS A 49 6.868 5.543 7.029 1.00 0.00 C ATOM 787 CD LYS A 49 5.526 5.613 7.802 1.00 0.00 C ATOM 788 CE LYS A 49 5.794 5.938 9.289 1.00 0.00 C ATOM 789 NZ LYS A 49 4.600 6.583 9.905 1.00 0.00 N ATOM 0 H LYS A 49 7.034 5.395 4.587 1.00 0.00 H new ATOM 0 HA LYS A 49 5.488 7.542 5.431 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.367 6.978 6.410 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.072 7.673 7.365 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.765 4.889 6.163 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.641 5.111 7.665 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.883 6.376 7.364 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.997 4.664 7.717 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.040 5.024 9.829 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.656 6.599 9.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 4.797 6.795 10.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.383 7.466 9.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.786 5.939 9.841 1.00 0.00 H new ATOM 803 N THR A 50 8.039 8.538 3.783 1.00 0.00 N ATOM 804 CA THR A 50 8.764 9.708 3.224 1.00 0.00 C ATOM 805 C THR A 50 7.962 10.468 2.165 1.00 0.00 C ATOM 806 O THR A 50 8.032 11.680 2.088 1.00 0.00 O ATOM 807 CB THR A 50 10.038 9.150 2.575 1.00 0.00 C ATOM 808 OG1 THR A 50 10.389 10.042 1.530 1.00 0.00 O ATOM 809 CG2 THR A 50 9.720 7.828 1.872 1.00 0.00 C ATOM 0 H THR A 50 8.235 7.653 3.316 1.00 0.00 H new ATOM 0 HA THR A 50 8.962 10.419 4.026 1.00 0.00 H new ATOM 0 HB THR A 50 10.812 9.024 3.332 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.203 9.723 1.087 1.00 0.00 H new ATOM 0 HG21 THR A 50 10.626 7.434 1.412 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.341 7.111 2.600 1.00 0.00 H new ATOM 0 HG23 THR A 50 8.966 7.997 1.103 1.00 0.00 H new ATOM 817 N MET A 51 7.238 9.750 1.371 1.00 0.00 N ATOM 818 CA MET A 51 6.434 10.413 0.315 1.00 0.00 C ATOM 819 C MET A 51 5.490 11.458 0.884 1.00 0.00 C ATOM 820 O MET A 51 5.359 11.595 2.088 1.00 0.00 O ATOM 821 CB MET A 51 5.601 9.344 -0.406 1.00 0.00 C ATOM 822 CG MET A 51 6.535 8.273 -0.979 1.00 0.00 C ATOM 823 SD MET A 51 5.847 7.146 -2.219 1.00 0.00 S ATOM 824 CE MET A 51 4.322 6.734 -1.335 1.00 0.00 C ATOM 0 H MET A 51 7.165 8.733 1.404 1.00 0.00 H new ATOM 0 HA MET A 51 7.121 10.916 -0.366 1.00 0.00 H new ATOM 0 HB2 MET A 51 4.892 8.891 0.287 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.018 9.800 -1.206 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.394 8.777 -1.421 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.909 7.673 -0.149 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.932 5.786 -1.705 1.00 0.00 H new ATOM 0 HE2 MET A 51 4.531 6.649 -0.269 1.00 0.00 H new ATOM 0 HE3 MET A 51 3.583 7.519 -1.499 1.00 0.00 H new ATOM 834 N SER A 52 4.841 12.175 -0.014 1.00 0.00 N ATOM 835 CA SER A 52 3.881 13.236 0.403 1.00 0.00 C ATOM 836 C SER A 52 2.479 12.675 0.375 1.00 0.00 C ATOM 837 O SER A 52 2.227 11.690 -0.291 1.00 0.00 O ATOM 838 CB SER A 52 3.969 14.387 -0.614 1.00 0.00 C ATOM 839 OG SER A 52 3.216 15.433 -0.021 1.00 0.00 O ATOM 0 H SER A 52 4.942 12.063 -1.023 1.00 0.00 H new ATOM 0 HA SER A 52 4.119 13.587 1.407 1.00 0.00 H new ATOM 0 HB2 SER A 52 5.002 14.688 -0.786 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.556 14.097 -1.580 1.00 0.00 H new ATOM 0 HG SER A 52 3.222 16.216 -0.611 1.00 0.00 H new ATOM 845 N ALA A 53 1.584 13.286 1.099 1.00 0.00 N ATOM 846 CA ALA A 53 0.211 12.770 1.094 1.00 0.00 C ATOM 847 C ALA A 53 -0.326 12.728 -0.322 1.00 0.00 C ATOM 848 O ALA A 53 -1.323 12.091 -0.597 1.00 0.00 O ATOM 849 CB ALA A 53 -0.669 13.678 1.934 1.00 0.00 C ATOM 0 H ALA A 53 1.750 14.107 1.682 1.00 0.00 H new ATOM 0 HA ALA A 53 0.209 11.761 1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -1.690 13.298 1.933 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -0.293 13.705 2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -0.656 14.685 1.517 1.00 0.00 H new ATOM 855 N LYS A 54 0.351 13.417 -1.204 1.00 0.00 N ATOM 856 CA LYS A 54 -0.100 13.429 -2.610 1.00 0.00 C ATOM 857 C LYS A 54 0.012 12.034 -3.185 1.00 0.00 C ATOM 858 O LYS A 54 -0.959 11.465 -3.657 1.00 0.00 O ATOM 859 CB LYS A 54 0.814 14.364 -3.421 1.00 0.00 C ATOM 860 CG LYS A 54 0.936 15.710 -2.709 1.00 0.00 C ATOM 861 CD LYS A 54 1.854 16.621 -3.528 1.00 0.00 C ATOM 862 CE LYS A 54 1.842 18.024 -2.924 1.00 0.00 C ATOM 863 NZ LYS A 54 0.533 18.692 -3.178 1.00 0.00 N ATOM 0 H LYS A 54 1.188 13.965 -1.006 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.134 13.771 -2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.799 13.913 -3.538 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.408 14.507 -4.422 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.047 16.168 -2.596 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.340 15.571 -1.706 1.00 0.00 H new ATOM 0 HD2 LYS A 54 2.869 16.224 -3.534 1.00 0.00 H new ATOM 0 HD3 LYS A 54 1.520 16.656 -4.565 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.025 17.966 -1.851 1.00 0.00 H new ATOM 0 HE3 LYS A 54 2.649 18.618 -3.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 0.639 19.720 -3.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 0.220 18.485 -4.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -0.174 18.337 -2.503 1.00 0.00 H new ATOM 877 N GLU A 55 1.202 11.492 -3.128 1.00 0.00 N ATOM 878 CA GLU A 55 1.390 10.136 -3.666 1.00 0.00 C ATOM 879 C GLU A 55 0.672 9.131 -2.790 1.00 0.00 C ATOM 880 O GLU A 55 -0.007 8.250 -3.281 1.00 0.00 O ATOM 881 CB GLU A 55 2.890 9.813 -3.675 1.00 0.00 C ATOM 882 CG GLU A 55 3.660 10.991 -4.294 1.00 0.00 C ATOM 883 CD GLU A 55 5.048 10.518 -4.737 1.00 0.00 C ATOM 884 OE1 GLU A 55 5.116 9.996 -5.838 1.00 0.00 O ATOM 885 OE2 GLU A 55 5.961 10.703 -3.949 1.00 0.00 O ATOM 0 H GLU A 55 2.034 11.932 -2.735 1.00 0.00 H new ATOM 0 HA GLU A 55 0.985 10.085 -4.677 1.00 0.00 H new ATOM 0 HB2 GLU A 55 3.240 9.628 -2.659 1.00 0.00 H new ATOM 0 HB3 GLU A 55 3.074 8.903 -4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 55 3.111 11.390 -5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.754 11.799 -3.569 1.00 0.00 H new ATOM 892 N LYS A 56 0.813 9.289 -1.497 1.00 0.00 N ATOM 893 CA LYS A 56 0.139 8.344 -0.589 1.00 0.00 C ATOM 894 C LYS A 56 -1.352 8.575 -0.673 1.00 0.00 C ATOM 895 O LYS A 56 -2.136 7.859 -0.085 1.00 0.00 O ATOM 896 CB LYS A 56 0.617 8.599 0.856 1.00 0.00 C ATOM 897 CG LYS A 56 2.172 8.613 0.897 1.00 0.00 C ATOM 898 CD LYS A 56 2.685 9.308 2.207 1.00 0.00 C ATOM 899 CE LYS A 56 2.926 8.270 3.318 1.00 0.00 C ATOM 900 NZ LYS A 56 1.632 7.815 3.901 1.00 0.00 N ATOM 0 H LYS A 56 1.359 10.023 -1.047 1.00 0.00 H new ATOM 0 HA LYS A 56 0.374 7.318 -0.872 1.00 0.00 H new ATOM 0 HB2 LYS A 56 0.225 9.550 1.217 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.233 7.824 1.519 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.551 7.592 0.848 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.559 9.139 0.024 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.609 9.847 2.000 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.955 10.044 2.543 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.469 7.416 2.913 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.550 8.704 4.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.665 7.911 4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.857 8.397 3.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.470 6.819 3.651 1.00 0.00 H new ATOM 914 N GLY A 57 -1.714 9.594 -1.417 1.00 0.00 N ATOM 915 CA GLY A 57 -3.152 9.928 -1.583 1.00 0.00 C ATOM 916 C GLY A 57 -3.776 8.993 -2.618 1.00 0.00 C ATOM 917 O GLY A 57 -4.886 8.529 -2.457 1.00 0.00 O ATOM 0 H GLY A 57 -1.068 10.206 -1.915 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.671 9.831 -0.630 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.261 10.965 -1.901 1.00 0.00 H new ATOM 921 N LYS A 58 -3.044 8.747 -3.671 1.00 0.00 N ATOM 922 CA LYS A 58 -3.560 7.854 -4.725 1.00 0.00 C ATOM 923 C LYS A 58 -3.565 6.409 -4.200 1.00 0.00 C ATOM 924 O LYS A 58 -4.361 5.580 -4.615 1.00 0.00 O ATOM 925 CB LYS A 58 -2.615 8.047 -5.970 1.00 0.00 C ATOM 926 CG LYS A 58 -2.341 6.721 -6.735 1.00 0.00 C ATOM 927 CD LYS A 58 -1.140 5.976 -6.096 1.00 0.00 C ATOM 928 CE LYS A 58 0.175 6.506 -6.690 1.00 0.00 C ATOM 929 NZ LYS A 58 0.408 5.929 -8.044 1.00 0.00 N ATOM 0 H LYS A 58 -2.113 9.129 -3.839 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.586 8.083 -5.013 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.065 8.768 -6.653 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.667 8.471 -5.638 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.228 6.087 -6.709 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.131 6.933 -7.783 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.145 6.118 -5.015 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.226 4.905 -6.277 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.140 7.594 -6.753 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.006 6.252 -6.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.372 6.160 -8.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.295 4.896 -8.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.280 6.328 -8.714 1.00 0.00 H new ATOM 943 N PHE A 59 -2.716 6.161 -3.249 1.00 0.00 N ATOM 944 CA PHE A 59 -2.637 4.797 -2.668 1.00 0.00 C ATOM 945 C PHE A 59 -3.767 4.655 -1.688 1.00 0.00 C ATOM 946 O PHE A 59 -4.236 3.570 -1.406 1.00 0.00 O ATOM 947 CB PHE A 59 -1.287 4.638 -1.927 1.00 0.00 C ATOM 948 CG PHE A 59 -0.193 4.238 -2.929 1.00 0.00 C ATOM 949 CD1 PHE A 59 -0.253 3.024 -3.579 1.00 0.00 C ATOM 950 CD2 PHE A 59 0.877 5.080 -3.185 1.00 0.00 C ATOM 951 CE1 PHE A 59 0.733 2.658 -4.470 1.00 0.00 C ATOM 952 CE2 PHE A 59 1.859 4.714 -4.071 1.00 0.00 C ATOM 953 CZ PHE A 59 1.789 3.504 -4.714 1.00 0.00 C ATOM 0 H PHE A 59 -2.073 6.844 -2.848 1.00 0.00 H new ATOM 0 HA PHE A 59 -2.707 4.037 -3.447 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.019 5.573 -1.434 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -1.375 3.881 -1.148 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.079 2.354 -3.389 1.00 0.00 H new ATOM 0 HD2 PHE A 59 0.939 6.034 -2.682 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.676 1.706 -4.977 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.688 5.379 -4.262 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.562 3.216 -5.411 1.00 0.00 H new ATOM 963 N GLU A 60 -4.183 5.781 -1.180 1.00 0.00 N ATOM 964 CA GLU A 60 -5.282 5.785 -0.214 1.00 0.00 C ATOM 965 C GLU A 60 -6.549 5.537 -0.983 1.00 0.00 C ATOM 966 O GLU A 60 -7.523 5.037 -0.460 1.00 0.00 O ATOM 967 CB GLU A 60 -5.322 7.196 0.459 1.00 0.00 C ATOM 968 CG GLU A 60 -4.896 7.100 1.937 1.00 0.00 C ATOM 969 CD GLU A 60 -5.945 6.304 2.726 1.00 0.00 C ATOM 970 OE1 GLU A 60 -6.886 5.859 2.088 1.00 0.00 O ATOM 971 OE2 GLU A 60 -5.747 6.191 3.925 1.00 0.00 O ATOM 0 H GLU A 60 -3.797 6.698 -1.403 1.00 0.00 H new ATOM 0 HA GLU A 60 -5.160 5.023 0.556 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.659 7.878 -0.073 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.328 7.610 0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.923 6.615 2.014 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.789 8.099 2.360 1.00 0.00 H new ATOM 978 N ASP A 61 -6.502 5.897 -2.236 1.00 0.00 N ATOM 979 CA ASP A 61 -7.684 5.697 -3.084 1.00 0.00 C ATOM 980 C ASP A 61 -7.881 4.214 -3.304 1.00 0.00 C ATOM 981 O ASP A 61 -8.993 3.738 -3.416 1.00 0.00 O ATOM 982 CB ASP A 61 -7.439 6.404 -4.431 1.00 0.00 C ATOM 983 CG ASP A 61 -8.779 6.656 -5.125 1.00 0.00 C ATOM 984 OD1 ASP A 61 -9.560 7.391 -4.545 1.00 0.00 O ATOM 985 OD2 ASP A 61 -8.947 6.097 -6.198 1.00 0.00 O ATOM 0 H ASP A 61 -5.695 6.318 -2.697 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.575 6.109 -2.611 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -6.918 7.348 -4.269 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -6.799 5.791 -5.065 1.00 0.00 H new ATOM 990 N MET A 62 -6.782 3.501 -3.382 1.00 0.00 N ATOM 991 CA MET A 62 -6.883 2.048 -3.589 1.00 0.00 C ATOM 992 C MET A 62 -7.307 1.406 -2.289 1.00 0.00 C ATOM 993 O MET A 62 -8.226 0.615 -2.254 1.00 0.00 O ATOM 994 CB MET A 62 -5.503 1.497 -4.016 1.00 0.00 C ATOM 995 CG MET A 62 -5.190 1.928 -5.465 1.00 0.00 C ATOM 996 SD MET A 62 -3.955 0.965 -6.368 1.00 0.00 S ATOM 997 CE MET A 62 -2.553 1.348 -5.300 1.00 0.00 C ATOM 0 H MET A 62 -5.834 3.871 -3.310 1.00 0.00 H new ATOM 0 HA MET A 62 -7.613 1.827 -4.367 1.00 0.00 H new ATOM 0 HB2 MET A 62 -4.730 1.867 -3.342 1.00 0.00 H new ATOM 0 HB3 MET A 62 -5.497 0.410 -3.942 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.120 1.901 -6.033 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.859 2.966 -5.444 1.00 0.00 H new ATOM 0 HE1 MET A 62 -1.669 0.819 -5.656 1.00 0.00 H new ATOM 0 HE2 MET A 62 -2.365 2.421 -5.318 1.00 0.00 H new ATOM 0 HE3 MET A 62 -2.777 1.036 -4.280 1.00 0.00 H new ATOM 1007 N ALA A 63 -6.626 1.752 -1.232 1.00 0.00 N ATOM 1008 CA ALA A 63 -6.993 1.166 0.068 1.00 0.00 C ATOM 1009 C ALA A 63 -8.441 1.528 0.375 1.00 0.00 C ATOM 1010 O ALA A 63 -9.121 0.831 1.104 1.00 0.00 O ATOM 1011 CB ALA A 63 -6.059 1.748 1.157 1.00 0.00 C ATOM 0 H ALA A 63 -5.844 2.406 -1.220 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.888 0.081 0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -6.320 1.322 2.126 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -5.024 1.501 0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.174 2.831 1.194 1.00 0.00 H new ATOM 1017 N LYS A 64 -8.883 2.629 -0.196 1.00 0.00 N ATOM 1018 CA LYS A 64 -10.275 3.061 0.039 1.00 0.00 C ATOM 1019 C LYS A 64 -11.207 2.199 -0.801 1.00 0.00 C ATOM 1020 O LYS A 64 -12.356 1.993 -0.457 1.00 0.00 O ATOM 1021 CB LYS A 64 -10.408 4.547 -0.375 1.00 0.00 C ATOM 1022 CG LYS A 64 -11.887 4.945 -0.427 1.00 0.00 C ATOM 1023 CD LYS A 64 -11.988 6.472 -0.507 1.00 0.00 C ATOM 1024 CE LYS A 64 -13.462 6.881 -0.540 1.00 0.00 C ATOM 1025 NZ LYS A 64 -13.593 8.365 -0.481 1.00 0.00 N ATOM 0 H LYS A 64 -8.334 3.233 -0.808 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.538 2.953 1.091 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.877 5.180 0.336 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.946 4.705 -1.349 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.370 4.490 -1.292 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -12.407 4.579 0.458 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -11.492 6.926 0.351 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -11.478 6.835 -1.399 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -13.930 6.505 -1.450 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -13.990 6.430 0.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -14.599 8.626 -0.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.164 8.717 0.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -13.106 8.789 -1.296 1.00 0.00 H new ATOM 1039 N ALA A 65 -10.689 1.705 -1.903 1.00 0.00 N ATOM 1040 CA ALA A 65 -11.517 0.857 -2.771 1.00 0.00 C ATOM 1041 C ALA A 65 -11.652 -0.501 -2.145 1.00 0.00 C ATOM 1042 O ALA A 65 -12.694 -1.116 -2.196 1.00 0.00 O ATOM 1043 CB ALA A 65 -10.833 0.717 -4.139 1.00 0.00 C ATOM 0 H ALA A 65 -9.733 1.860 -2.223 1.00 0.00 H new ATOM 0 HA ALA A 65 -12.502 1.306 -2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.443 0.089 -4.788 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -10.719 1.702 -4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -9.852 0.261 -4.010 1.00 0.00 H new ATOM 1049 N ASP A 66 -10.584 -0.946 -1.556 1.00 0.00 N ATOM 1050 CA ASP A 66 -10.614 -2.264 -0.910 1.00 0.00 C ATOM 1051 C ASP A 66 -11.509 -2.184 0.315 1.00 0.00 C ATOM 1052 O ASP A 66 -12.186 -3.131 0.657 1.00 0.00 O ATOM 1053 CB ASP A 66 -9.180 -2.646 -0.489 1.00 0.00 C ATOM 1054 CG ASP A 66 -9.089 -4.164 -0.306 1.00 0.00 C ATOM 1055 OD1 ASP A 66 -10.107 -4.729 0.057 1.00 0.00 O ATOM 1056 OD2 ASP A 66 -8.006 -4.674 -0.544 1.00 0.00 O ATOM 0 H ASP A 66 -9.695 -0.449 -1.498 1.00 0.00 H new ATOM 0 HA ASP A 66 -11.001 -3.018 -1.596 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.468 -2.317 -1.245 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -8.915 -2.140 0.440 1.00 0.00 H new ATOM 1061 N LYS A 67 -11.477 -1.043 0.972 1.00 0.00 N ATOM 1062 CA LYS A 67 -12.317 -0.875 2.169 1.00 0.00 C ATOM 1063 C LYS A 67 -13.752 -1.190 1.817 1.00 0.00 C ATOM 1064 O LYS A 67 -14.473 -1.775 2.598 1.00 0.00 O ATOM 1065 CB LYS A 67 -12.230 0.584 2.642 1.00 0.00 C ATOM 1066 CG LYS A 67 -13.046 0.743 3.925 1.00 0.00 C ATOM 1067 CD LYS A 67 -12.744 2.111 4.555 1.00 0.00 C ATOM 1068 CE LYS A 67 -13.192 3.229 3.599 1.00 0.00 C ATOM 1069 NZ LYS A 67 -13.344 4.516 4.335 1.00 0.00 N ATOM 0 H LYS A 67 -10.905 -0.237 0.720 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.973 -1.544 2.957 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.191 0.860 2.821 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.609 1.253 1.870 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.110 0.658 3.705 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.801 -0.055 4.626 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.262 2.205 5.509 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.677 2.200 4.761 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.461 3.345 2.798 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.138 2.957 3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.647 5.260 3.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.058 4.406 5.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.433 4.782 4.762 1.00 0.00 H new ATOM 1083 N ALA A 68 -14.150 -0.797 0.632 1.00 0.00 N ATOM 1084 CA ALA A 68 -15.532 -1.068 0.212 1.00 0.00 C ATOM 1085 C ALA A 68 -15.708 -2.546 -0.102 1.00 0.00 C ATOM 1086 O ALA A 68 -16.672 -3.156 0.298 1.00 0.00 O ATOM 1087 CB ALA A 68 -15.831 -0.247 -1.049 1.00 0.00 C ATOM 0 H ALA A 68 -13.572 -0.304 -0.049 1.00 0.00 H new ATOM 0 HA ALA A 68 -16.215 -0.795 1.017 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -16.854 -0.438 -1.373 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -15.712 0.814 -0.829 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.140 -0.533 -1.842 1.00 0.00 H new ATOM 1093 N ARG A 69 -14.766 -3.088 -0.808 1.00 0.00 N ATOM 1094 CA ARG A 69 -14.855 -4.531 -1.162 1.00 0.00 C ATOM 1095 C ARG A 69 -15.012 -5.381 0.094 1.00 0.00 C ATOM 1096 O ARG A 69 -15.615 -6.436 0.064 1.00 0.00 O ATOM 1097 CB ARG A 69 -13.544 -4.952 -1.861 1.00 0.00 C ATOM 1098 CG ARG A 69 -13.466 -4.314 -3.258 1.00 0.00 C ATOM 1099 CD ARG A 69 -14.582 -4.874 -4.167 1.00 0.00 C ATOM 1100 NE ARG A 69 -15.723 -3.920 -4.153 1.00 0.00 N ATOM 1101 CZ ARG A 69 -16.660 -4.026 -5.056 1.00 0.00 C ATOM 1102 NH1 ARG A 69 -16.570 -4.971 -5.952 1.00 0.00 N ATOM 1103 NH2 ARG A 69 -17.655 -3.181 -5.036 1.00 0.00 N ATOM 0 H ARG A 69 -13.940 -2.601 -1.156 1.00 0.00 H new ATOM 0 HA ARG A 69 -15.716 -4.680 -1.813 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -12.687 -4.643 -1.262 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -13.499 -6.038 -1.945 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -13.563 -3.231 -3.177 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -12.491 -4.514 -3.703 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.212 -5.007 -5.183 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.903 -5.854 -3.814 1.00 0.00 H new ATOM 0 HE ARG A 69 -15.773 -3.189 -3.444 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -15.777 -5.612 -5.939 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -17.293 -5.068 -6.665 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -17.691 -2.453 -4.323 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -18.396 -3.249 -5.734 1.00 0.00 H new ATOM 1117 N TYR A 70 -14.466 -4.892 1.182 1.00 0.00 N ATOM 1118 CA TYR A 70 -14.559 -5.643 2.465 1.00 0.00 C ATOM 1119 C TYR A 70 -15.889 -5.407 3.176 1.00 0.00 C ATOM 1120 O TYR A 70 -16.575 -6.340 3.529 1.00 0.00 O ATOM 1121 CB TYR A 70 -13.428 -5.150 3.388 1.00 0.00 C ATOM 1122 CG TYR A 70 -13.424 -5.984 4.673 1.00 0.00 C ATOM 1123 CD1 TYR A 70 -14.336 -5.729 5.681 1.00 0.00 C ATOM 1124 CD2 TYR A 70 -12.522 -7.014 4.835 1.00 0.00 C ATOM 1125 CE1 TYR A 70 -14.344 -6.496 6.827 1.00 0.00 C ATOM 1126 CE2 TYR A 70 -12.531 -7.781 5.983 1.00 0.00 C ATOM 1127 CZ TYR A 70 -13.444 -7.527 6.987 1.00 0.00 C ATOM 1128 OH TYR A 70 -13.454 -8.293 8.134 1.00 0.00 O ATOM 0 H TYR A 70 -13.962 -4.007 1.233 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.478 -6.707 2.244 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.466 -5.236 2.882 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.570 -4.096 3.625 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -15.047 -4.924 5.570 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -11.802 -7.223 4.057 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -15.062 -6.287 7.606 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -11.819 -8.585 6.096 1.00 0.00 H new ATOM 0 HH TYR A 70 -12.753 -8.975 8.078 1.00 0.00 H new