USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 449 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 Single : A 12 MET CE :methyl -125:sc= -1.06 (180deg=-2.1!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 42:sc= 0.0628 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HE2:sc= -5 K(o=-5,f=-2.6) USER MOD Single : A 25 GLN : amide:sc= -0.642 K(o=-0.64,f=-1.2) USER MOD Single : A 30 ASN : amide:sc= 0.131 X(o=0.13,f=0) USER MOD Single : A 32 LYS NZ :NH3+ 164:sc= -0.0152 (180deg=-0.208) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0157 USER MOD Single : A 34 SER OG : rot 180:sc= 0.00887 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -34:sc= 0.819 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 162:sc= -0.0487 (180deg=-0.323) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00219) USER MOD ----------------------------------------------------------------- ATOM 129 N PRO A 11 -0.776 0.392 -6.404 1.00 0.00 N ATOM 130 CA PRO A 11 -0.408 1.483 -5.496 1.00 0.00 C ATOM 131 C PRO A 11 -0.687 2.856 -6.097 1.00 0.00 C ATOM 132 O PRO A 11 -0.323 3.129 -7.241 1.00 0.00 O ATOM 133 CB PRO A 11 1.096 1.284 -5.293 1.00 0.00 C ATOM 134 CG PRO A 11 1.551 0.563 -6.515 1.00 0.00 C ATOM 135 CD PRO A 11 0.404 -0.316 -6.929 1.00 0.00 C ATOM 0 HA PRO A 11 -0.984 1.455 -4.571 1.00 0.00 H new ATOM 0 HB2 PRO A 11 1.610 2.239 -5.182 1.00 0.00 H new ATOM 0 HB3 PRO A 11 1.301 0.705 -4.392 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.811 1.264 -7.308 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.442 -0.030 -6.309 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.355 -0.430 -8.012 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.492 -1.317 -6.507 1.00 0.00 H new ATOM 143 N MET A 12 -1.335 3.717 -5.319 1.00 0.00 N ATOM 144 CA MET A 12 -1.660 5.064 -5.775 1.00 0.00 C ATOM 145 C MET A 12 -0.393 5.853 -6.087 1.00 0.00 C ATOM 146 O MET A 12 0.365 6.210 -5.185 1.00 0.00 O ATOM 147 CB MET A 12 -2.486 5.798 -4.717 1.00 0.00 C ATOM 148 CG MET A 12 -1.836 5.814 -3.343 1.00 0.00 C ATOM 149 SD MET A 12 -2.962 6.366 -2.048 1.00 0.00 S ATOM 150 CE MET A 12 -3.304 8.040 -2.588 1.00 0.00 C ATOM 0 H MET A 12 -1.645 3.506 -4.370 1.00 0.00 H new ATOM 0 HA MET A 12 -2.247 4.980 -6.689 1.00 0.00 H new ATOM 0 HB2 MET A 12 -2.651 6.825 -5.044 1.00 0.00 H new ATOM 0 HB3 MET A 12 -3.466 5.327 -4.641 1.00 0.00 H new ATOM 0 HG2 MET A 12 -1.476 4.813 -3.104 1.00 0.00 H new ATOM 0 HG3 MET A 12 -0.965 6.469 -3.365 1.00 0.00 H new ATOM 0 HE1 MET A 12 -3.072 8.737 -1.782 1.00 0.00 H new ATOM 0 HE2 MET A 12 -2.690 8.274 -3.458 1.00 0.00 H new ATOM 0 HE3 MET A 12 -4.358 8.129 -2.853 1.00 0.00 H new ATOM 160 N SER A 13 -0.170 6.123 -7.369 1.00 0.00 N ATOM 161 CA SER A 13 1.008 6.867 -7.800 1.00 0.00 C ATOM 162 C SER A 13 1.128 8.183 -7.037 1.00 0.00 C ATOM 163 O SER A 13 0.282 8.511 -6.206 1.00 0.00 O ATOM 164 CB SER A 13 0.942 7.140 -9.304 1.00 0.00 C ATOM 165 OG SER A 13 1.250 5.974 -10.048 1.00 0.00 O ATOM 0 H SER A 13 -0.789 5.838 -8.127 1.00 0.00 H new ATOM 0 HA SER A 13 1.889 6.262 -7.586 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.055 7.492 -9.569 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.640 7.936 -9.563 1.00 0.00 H new ATOM 0 HG SER A 13 1.199 6.174 -11.006 1.00 0.00 H new ATOM 171 N ALA A 14 2.187 8.932 -7.326 1.00 0.00 N ATOM 172 CA ALA A 14 2.418 10.213 -6.670 1.00 0.00 C ATOM 173 C ALA A 14 1.424 11.264 -7.151 1.00 0.00 C ATOM 174 O ALA A 14 1.351 12.362 -6.599 1.00 0.00 O ATOM 175 CB ALA A 14 3.845 10.682 -6.915 1.00 0.00 C ATOM 0 H ALA A 14 2.898 8.674 -8.010 1.00 0.00 H new ATOM 0 HA ALA A 14 2.271 10.076 -5.599 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.003 11.640 -6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.543 9.947 -6.515 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.012 10.796 -7.986 1.00 0.00 H new ATOM 181 N SER A 15 0.659 10.920 -8.182 1.00 0.00 N ATOM 182 CA SER A 15 -0.329 11.836 -8.740 1.00 0.00 C ATOM 183 C SER A 15 -1.597 11.850 -7.893 1.00 0.00 C ATOM 184 O SER A 15 -2.387 12.792 -7.952 1.00 0.00 O ATOM 185 CB SER A 15 -0.667 11.440 -10.179 1.00 0.00 C ATOM 186 OG SER A 15 -0.606 10.035 -10.349 1.00 0.00 O ATOM 0 H SER A 15 0.704 10.014 -8.648 1.00 0.00 H new ATOM 0 HA SER A 15 0.099 12.838 -8.737 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.665 11.797 -10.433 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.029 11.923 -10.865 1.00 0.00 H new ATOM 0 HG SER A 15 -1.014 9.594 -9.575 1.00 0.00 H new ATOM 192 N ALA A 16 -1.785 10.797 -7.104 1.00 0.00 N ATOM 193 CA ALA A 16 -2.956 10.687 -6.242 1.00 0.00 C ATOM 194 C ALA A 16 -2.694 11.316 -4.878 1.00 0.00 C ATOM 195 O ALA A 16 -3.583 11.928 -4.284 1.00 0.00 O ATOM 196 CB ALA A 16 -3.360 9.229 -6.084 1.00 0.00 C ATOM 0 H ALA A 16 -1.141 10.008 -7.044 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.775 11.231 -6.713 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.235 9.162 -5.438 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.597 8.809 -7.062 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.537 8.670 -5.639 1.00 0.00 H new ATOM 202 N LEU A 17 -1.470 11.162 -4.386 1.00 0.00 N ATOM 203 CA LEU A 17 -1.091 11.715 -3.090 1.00 0.00 C ATOM 204 C LEU A 17 -1.325 13.222 -3.051 1.00 0.00 C ATOM 205 O LEU A 17 -2.095 13.719 -2.229 1.00 0.00 O ATOM 206 CB LEU A 17 0.378 11.408 -2.792 1.00 0.00 C ATOM 207 CG LEU A 17 0.673 10.015 -2.234 1.00 0.00 C ATOM 208 CD1 LEU A 17 -0.068 9.798 -0.924 1.00 0.00 C ATOM 209 CD2 LEU A 17 0.296 8.944 -3.246 1.00 0.00 C ATOM 0 H LEU A 17 -0.723 10.659 -4.865 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.715 11.249 -2.328 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.949 11.538 -3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.746 12.148 -2.081 1.00 0.00 H new ATOM 0 HG LEU A 17 1.743 9.941 -2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.154 8.802 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.251 10.545 -0.197 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.141 9.891 -1.093 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.513 7.959 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.768 9.016 -3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.872 9.088 -4.160 1.00 0.00 H new ATOM 221 N PHE A 18 -0.658 13.942 -3.946 1.00 0.00 N ATOM 222 CA PHE A 18 -0.795 15.393 -4.015 1.00 0.00 C ATOM 223 C PHE A 18 -2.265 15.798 -4.076 1.00 0.00 C ATOM 224 O PHE A 18 -2.674 16.785 -3.464 1.00 0.00 O ATOM 225 CB PHE A 18 -0.052 15.939 -5.236 1.00 0.00 C ATOM 226 CG PHE A 18 -0.173 17.427 -5.395 1.00 0.00 C ATOM 227 CD1 PHE A 18 -1.306 17.987 -5.962 1.00 0.00 C ATOM 228 CD2 PHE A 18 0.848 18.267 -4.978 1.00 0.00 C ATOM 229 CE1 PHE A 18 -1.421 19.357 -6.109 1.00 0.00 C ATOM 230 CE2 PHE A 18 0.739 19.637 -5.123 1.00 0.00 C ATOM 231 CZ PHE A 18 -0.396 20.182 -5.690 1.00 0.00 C ATOM 0 H PHE A 18 -0.017 13.545 -4.634 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.357 15.818 -3.112 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.003 15.675 -5.158 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.437 15.453 -6.133 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.109 17.346 -6.293 1.00 0.00 H new ATOM 0 HD2 PHE A 18 1.738 17.846 -4.535 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.311 19.781 -6.551 1.00 0.00 H new ATOM 0 HE2 PHE A 18 1.541 20.281 -4.793 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.482 21.252 -5.806 1.00 0.00 H new ATOM 241 N VAL A 19 -3.054 15.030 -4.820 1.00 0.00 N ATOM 242 CA VAL A 19 -4.478 15.307 -4.962 1.00 0.00 C ATOM 243 C VAL A 19 -5.207 15.132 -3.634 1.00 0.00 C ATOM 244 O VAL A 19 -5.886 16.044 -3.163 1.00 0.00 O ATOM 245 CB VAL A 19 -5.127 14.391 -6.016 1.00 0.00 C ATOM 246 CG1 VAL A 19 -6.632 14.607 -6.059 1.00 0.00 C ATOM 247 CG2 VAL A 19 -4.506 14.630 -7.384 1.00 0.00 C ATOM 0 H VAL A 19 -2.731 14.210 -5.334 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.567 16.343 -5.289 1.00 0.00 H new ATOM 0 HB VAL A 19 -4.942 13.354 -5.734 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.072 13.951 -6.810 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.060 14.380 -5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.843 15.645 -6.316 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.976 13.974 -8.117 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.658 15.669 -7.676 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.438 14.418 -7.341 1.00 0.00 H new ATOM 257 N GLN A 20 -5.061 13.954 -3.036 1.00 0.00 N ATOM 258 CA GLN A 20 -5.706 13.659 -1.762 1.00 0.00 C ATOM 259 C GLN A 20 -5.267 14.649 -0.688 1.00 0.00 C ATOM 260 O GLN A 20 -5.870 14.725 0.383 1.00 0.00 O ATOM 261 CB GLN A 20 -5.381 12.231 -1.320 1.00 0.00 C ATOM 262 CG GLN A 20 -6.160 11.781 -0.095 1.00 0.00 C ATOM 263 CD GLN A 20 -5.804 10.373 0.338 1.00 0.00 C ATOM 264 OE1 GLN A 20 -6.655 9.482 0.357 1.00 0.00 O ATOM 265 NE2 GLN A 20 -4.541 10.163 0.690 1.00 0.00 N ATOM 0 H GLN A 20 -4.502 13.189 -3.413 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.783 13.753 -1.898 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.589 11.548 -2.144 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.314 12.159 -1.108 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.966 12.470 0.727 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.228 11.832 -0.309 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.869 10.930 0.659 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.243 9.235 0.991 1.00 0.00 H new ATOM 274 N ASP A 21 -4.215 15.404 -0.981 1.00 0.00 N ATOM 275 CA ASP A 21 -3.695 16.390 -0.040 1.00 0.00 C ATOM 276 C ASP A 21 -4.464 17.703 -0.149 1.00 0.00 C ATOM 277 O ASP A 21 -4.965 18.226 0.847 1.00 0.00 O ATOM 278 CB ASP A 21 -2.207 16.634 -0.294 1.00 0.00 C ATOM 279 CG ASP A 21 -1.324 15.641 0.437 1.00 0.00 C ATOM 280 OD1 ASP A 21 -1.012 15.886 1.621 1.00 0.00 O ATOM 281 OD2 ASP A 21 -0.946 14.620 -0.175 1.00 0.00 O ATOM 0 H ASP A 21 -3.705 15.353 -1.863 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.824 15.997 0.968 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.009 16.572 -1.364 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -1.949 17.645 0.020 1.00 0.00 H new ATOM 286 N HIS A 22 -4.554 18.231 -1.366 1.00 0.00 N ATOM 287 CA HIS A 22 -5.262 19.484 -1.605 1.00 0.00 C ATOM 288 C HIS A 22 -6.652 19.222 -2.178 1.00 0.00 C ATOM 289 O HIS A 22 -7.336 20.145 -2.618 1.00 0.00 O ATOM 290 CB HIS A 22 -4.463 20.371 -2.560 1.00 0.00 C ATOM 291 CG HIS A 22 -2.990 20.370 -2.288 1.00 0.00 C ATOM 292 ND1 HIS A 22 -2.059 20.854 -3.183 1.00 0.00 N ATOM 293 CD2 HIS A 22 -2.289 19.941 -1.213 1.00 0.00 C ATOM 294 CE1 HIS A 22 -0.849 20.722 -2.671 1.00 0.00 C ATOM 295 NE2 HIS A 22 -0.961 20.170 -1.476 1.00 0.00 N ATOM 0 H HIS A 22 -4.146 17.811 -2.201 1.00 0.00 H new ATOM 0 HA HIS A 22 -5.373 19.998 -0.650 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.635 20.037 -3.583 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.836 21.393 -2.491 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -2.272 21.252 -4.098 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -2.698 19.501 -0.316 1.00 0.00 H new ATOM 0 HE1 HIS A 22 0.075 21.015 -3.148 1.00 0.00 H new ATOM 304 N ARG A 23 -7.061 17.957 -2.169 1.00 0.00 N ATOM 305 CA ARG A 23 -8.368 17.574 -2.689 1.00 0.00 C ATOM 306 C ARG A 23 -9.487 18.203 -1.864 1.00 0.00 C ATOM 307 O ARG A 23 -10.311 18.966 -2.370 1.00 0.00 O ATOM 308 CB ARG A 23 -8.514 16.051 -2.688 1.00 0.00 C ATOM 309 CG ARG A 23 -9.936 15.576 -2.435 1.00 0.00 C ATOM 310 CD ARG A 23 -10.015 14.058 -2.390 1.00 0.00 C ATOM 311 NE ARG A 23 -9.491 13.446 -3.608 1.00 0.00 N ATOM 312 CZ ARG A 23 -9.748 12.195 -3.972 1.00 0.00 C ATOM 313 NH1 ARG A 23 -10.520 11.426 -3.215 1.00 0.00 N ATOM 314 NH2 ARG A 23 -9.234 11.709 -5.094 1.00 0.00 N ATOM 0 H ARG A 23 -6.506 17.181 -1.808 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.445 17.939 -3.713 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.175 15.661 -3.648 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.859 15.632 -1.924 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.297 15.989 -1.493 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.592 15.953 -3.220 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.455 13.691 -1.530 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.052 13.753 -2.248 1.00 0.00 H new ATOM 0 HE ARG A 23 -8.895 14.011 -4.213 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.918 11.795 -2.351 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -10.716 10.465 -3.497 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -8.640 12.296 -5.679 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -9.433 10.748 -5.372 1.00 0.00 H new ATOM 328 N PRO A 24 -9.519 17.878 -0.564 1.00 0.00 N ATOM 329 CA PRO A 24 -10.532 18.400 0.359 1.00 0.00 C ATOM 330 C PRO A 24 -10.352 19.888 0.635 1.00 0.00 C ATOM 331 O PRO A 24 -11.324 20.641 0.685 1.00 0.00 O ATOM 332 CB PRO A 24 -10.303 17.587 1.635 1.00 0.00 C ATOM 333 CG PRO A 24 -8.874 17.170 1.567 1.00 0.00 C ATOM 334 CD PRO A 24 -8.569 16.975 0.107 1.00 0.00 C ATOM 0 HA PRO A 24 -11.540 18.306 -0.046 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.499 18.184 2.525 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.966 16.723 1.678 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.225 17.929 2.003 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.709 16.249 2.127 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.536 17.234 -0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.715 15.939 -0.199 1.00 0.00 H new ATOM 342 N GLN A 25 -9.103 20.305 0.813 1.00 0.00 N ATOM 343 CA GLN A 25 -8.796 21.705 1.085 1.00 0.00 C ATOM 344 C GLN A 25 -9.494 22.619 0.084 1.00 0.00 C ATOM 345 O GLN A 25 -10.136 23.599 0.464 1.00 0.00 O ATOM 346 CB GLN A 25 -7.285 21.937 1.038 1.00 0.00 C ATOM 347 CG GLN A 25 -6.592 21.701 2.371 1.00 0.00 C ATOM 348 CD GLN A 25 -7.227 22.480 3.505 1.00 0.00 C ATOM 349 OE1 GLN A 25 -7.614 21.910 4.525 1.00 0.00 O ATOM 350 NE2 GLN A 25 -7.337 23.792 3.333 1.00 0.00 N ATOM 0 H GLN A 25 -8.287 19.694 0.774 1.00 0.00 H new ATOM 0 HA GLN A 25 -9.161 21.943 2.084 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.848 21.277 0.289 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -7.093 22.960 0.714 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.619 20.637 2.607 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.542 21.982 2.285 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -7.003 24.223 2.471 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -7.756 24.369 4.063 1.00 0.00 H new ATOM 359 N PHE A 26 -9.364 22.293 -1.198 1.00 0.00 N ATOM 360 CA PHE A 26 -9.981 23.086 -2.255 1.00 0.00 C ATOM 361 C PHE A 26 -11.461 23.320 -1.966 1.00 0.00 C ATOM 362 O PHE A 26 -11.940 24.455 -1.996 1.00 0.00 O ATOM 363 CB PHE A 26 -9.818 22.388 -3.607 1.00 0.00 C ATOM 364 CG PHE A 26 -9.760 23.338 -4.769 1.00 0.00 C ATOM 365 CD1 PHE A 26 -8.782 24.317 -4.832 1.00 0.00 C ATOM 366 CD2 PHE A 26 -10.683 23.251 -5.798 1.00 0.00 C ATOM 367 CE1 PHE A 26 -8.726 25.193 -5.900 1.00 0.00 C ATOM 368 CE2 PHE A 26 -10.631 24.123 -6.869 1.00 0.00 C ATOM 369 CZ PHE A 26 -9.652 25.096 -6.919 1.00 0.00 C ATOM 0 H PHE A 26 -8.837 21.485 -1.530 1.00 0.00 H new ATOM 0 HA PHE A 26 -9.478 24.053 -2.290 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.907 21.790 -3.591 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -10.649 21.698 -3.753 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -8.055 24.397 -4.038 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -11.452 22.493 -5.763 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -7.959 25.952 -5.937 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -11.355 24.044 -7.666 1.00 0.00 H new ATOM 0 HZ PHE A 26 -9.611 25.780 -7.754 1.00 0.00 H new ATOM 379 N LEU A 27 -12.181 22.239 -1.686 1.00 0.00 N ATOM 380 CA LEU A 27 -13.607 22.325 -1.392 1.00 0.00 C ATOM 381 C LEU A 27 -13.857 23.176 -0.151 1.00 0.00 C ATOM 382 O LEU A 27 -14.671 24.100 -0.173 1.00 0.00 O ATOM 383 CB LEU A 27 -14.192 20.926 -1.191 1.00 0.00 C ATOM 384 CG LEU A 27 -14.584 20.173 -2.463 1.00 0.00 C ATOM 385 CD1 LEU A 27 -15.690 20.912 -3.200 1.00 0.00 C ATOM 386 CD2 LEU A 27 -13.374 19.984 -3.366 1.00 0.00 C ATOM 0 H LEU A 27 -11.801 21.293 -1.656 1.00 0.00 H new ATOM 0 HA LEU A 27 -14.099 22.800 -2.241 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.464 20.324 -0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.074 21.011 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.958 19.189 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.956 20.362 -4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.564 20.996 -2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.343 21.909 -3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -13.672 19.446 -4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -12.970 20.958 -3.642 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -12.611 19.412 -2.838 1.00 0.00 H new ATOM 398 N ILE A 28 -13.150 22.859 0.929 1.00 0.00 N ATOM 399 CA ILE A 28 -13.293 23.597 2.178 1.00 0.00 C ATOM 400 C ILE A 28 -13.477 25.088 1.918 1.00 0.00 C ATOM 401 O ILE A 28 -14.499 25.669 2.280 1.00 0.00 O ATOM 402 CB ILE A 28 -12.072 23.394 3.095 1.00 0.00 C ATOM 403 CG1 ILE A 28 -11.993 21.939 3.560 1.00 0.00 C ATOM 404 CG2 ILE A 28 -12.144 24.335 4.288 1.00 0.00 C ATOM 405 CD1 ILE A 28 -10.663 21.575 4.182 1.00 0.00 C ATOM 0 H ILE A 28 -12.473 22.097 0.964 1.00 0.00 H new ATOM 0 HA ILE A 28 -14.180 23.205 2.676 1.00 0.00 H new ATOM 0 HB ILE A 28 -11.169 23.624 2.530 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -12.786 21.754 4.284 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -12.179 21.283 2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -11.275 24.180 4.927 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -12.157 25.367 3.937 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.052 24.133 4.856 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -10.679 20.529 4.488 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -9.867 21.728 3.454 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.484 22.205 5.053 1.00 0.00 H new ATOM 417 N GLU A 29 -12.480 25.701 1.286 1.00 0.00 N ATOM 418 CA GLU A 29 -12.534 27.125 0.976 1.00 0.00 C ATOM 419 C GLU A 29 -13.530 27.400 -0.146 1.00 0.00 C ATOM 420 O GLU A 29 -14.324 28.337 -0.069 1.00 0.00 O ATOM 421 CB GLU A 29 -11.147 27.635 0.579 1.00 0.00 C ATOM 422 CG GLU A 29 -10.267 27.991 1.765 1.00 0.00 C ATOM 423 CD GLU A 29 -10.515 29.398 2.275 1.00 0.00 C ATOM 424 OE1 GLU A 29 -11.684 29.836 2.258 1.00 0.00 O ATOM 425 OE2 GLU A 29 -9.541 30.060 2.689 1.00 0.00 O ATOM 0 H GLU A 29 -11.627 25.234 0.979 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.866 27.654 1.870 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.646 26.873 -0.018 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.260 28.514 -0.055 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.445 27.280 2.571 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.220 27.892 1.478 1.00 0.00 H new ATOM 432 N ASN A 30 -13.480 26.578 -1.189 1.00 0.00 N ATOM 433 CA ASN A 30 -14.377 26.733 -2.328 1.00 0.00 C ATOM 434 C ASN A 30 -15.374 25.580 -2.397 1.00 0.00 C ATOM 435 O ASN A 30 -15.206 24.627 -3.159 1.00 0.00 O ATOM 436 CB ASN A 30 -13.575 26.807 -3.629 1.00 0.00 C ATOM 437 CG ASN A 30 -12.417 27.783 -3.539 1.00 0.00 C ATOM 438 OD1 ASN A 30 -12.572 28.974 -3.812 1.00 0.00 O ATOM 439 ND2 ASN A 30 -11.249 27.282 -3.156 1.00 0.00 N ATOM 0 H ASN A 30 -12.828 25.798 -1.269 1.00 0.00 H new ATOM 0 HA ASN A 30 -14.932 27.662 -2.197 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.193 25.816 -3.874 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.235 27.105 -4.443 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.434 27.890 -3.078 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.166 26.289 -2.940 1.00 0.00 H new ATOM 446 N PRO A 31 -16.437 25.667 -1.584 1.00 0.00 N ATOM 447 CA PRO A 31 -17.482 24.640 -1.535 1.00 0.00 C ATOM 448 C PRO A 31 -18.330 24.616 -2.802 1.00 0.00 C ATOM 449 O PRO A 31 -18.753 23.553 -3.258 1.00 0.00 O ATOM 450 CB PRO A 31 -18.331 25.056 -0.331 1.00 0.00 C ATOM 451 CG PRO A 31 -18.114 26.524 -0.203 1.00 0.00 C ATOM 452 CD PRO A 31 -16.700 26.774 -0.650 1.00 0.00 C ATOM 0 HA PRO A 31 -17.065 23.636 -1.453 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -19.384 24.824 -0.490 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -18.022 24.530 0.572 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -18.822 27.078 -0.819 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -18.262 26.852 0.826 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.598 27.744 -1.137 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.005 26.765 0.190 1.00 0.00 H new ATOM 460 N LYS A 32 -18.576 25.793 -3.367 1.00 0.00 N ATOM 461 CA LYS A 32 -19.372 25.907 -4.583 1.00 0.00 C ATOM 462 C LYS A 32 -18.858 24.959 -5.661 1.00 0.00 C ATOM 463 O LYS A 32 -19.640 24.311 -6.358 1.00 0.00 O ATOM 464 CB LYS A 32 -19.346 27.347 -5.100 1.00 0.00 C ATOM 465 CG LYS A 32 -20.423 28.231 -4.495 1.00 0.00 C ATOM 466 CD LYS A 32 -20.073 28.643 -3.075 1.00 0.00 C ATOM 467 CE LYS A 32 -19.045 29.763 -3.057 1.00 0.00 C ATOM 468 NZ LYS A 32 -19.624 31.055 -3.519 1.00 0.00 N ATOM 0 H LYS A 32 -18.235 26.682 -3.002 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.399 25.632 -4.343 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -18.369 27.782 -4.888 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -19.463 27.337 -6.184 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -20.554 29.121 -5.111 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -21.375 27.700 -4.497 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -20.975 28.967 -2.556 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -19.684 27.782 -2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -18.654 29.881 -2.046 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -18.203 29.494 -3.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -18.995 31.836 -3.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -19.724 31.040 -4.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -20.558 31.193 -3.083 1.00 0.00 H new ATOM 482 N THR A 33 -17.537 24.881 -5.794 1.00 0.00 N ATOM 483 CA THR A 33 -16.919 24.011 -6.787 1.00 0.00 C ATOM 484 C THR A 33 -17.321 22.557 -6.571 1.00 0.00 C ATOM 485 O THR A 33 -17.350 22.072 -5.440 1.00 0.00 O ATOM 486 CB THR A 33 -15.383 24.118 -6.748 1.00 0.00 C ATOM 487 OG1 THR A 33 -14.992 25.474 -6.504 1.00 0.00 O ATOM 488 CG2 THR A 33 -14.774 23.638 -8.057 1.00 0.00 C ATOM 0 H THR A 33 -16.875 25.410 -5.226 1.00 0.00 H new ATOM 0 HA THR A 33 -17.275 24.342 -7.763 1.00 0.00 H new ATOM 0 HB THR A 33 -15.017 23.484 -5.940 1.00 0.00 H new ATOM 0 HG1 THR A 33 -14.014 25.533 -6.479 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.689 23.723 -8.006 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.049 22.597 -8.226 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.148 24.250 -8.878 1.00 0.00 H new ATOM 496 N SER A 34 -17.631 21.865 -7.663 1.00 0.00 N ATOM 497 CA SER A 34 -18.035 20.466 -7.593 1.00 0.00 C ATOM 498 C SER A 34 -16.838 19.569 -7.292 1.00 0.00 C ATOM 499 O SER A 34 -15.709 20.044 -7.163 1.00 0.00 O ATOM 500 CB SER A 34 -18.692 20.036 -8.906 1.00 0.00 C ATOM 501 OG SER A 34 -19.348 18.788 -8.763 1.00 0.00 O ATOM 0 H SER A 34 -17.610 22.251 -8.607 1.00 0.00 H new ATOM 0 HA SER A 34 -18.757 20.362 -6.783 1.00 0.00 H new ATOM 0 HB2 SER A 34 -19.409 20.793 -9.223 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.936 19.966 -9.688 1.00 0.00 H new ATOM 0 HG SER A 34 -19.761 18.536 -9.615 1.00 0.00 H new ATOM 507 N LEU A 35 -17.093 18.270 -7.183 1.00 0.00 N ATOM 508 CA LEU A 35 -16.037 17.305 -6.899 1.00 0.00 C ATOM 509 C LEU A 35 -15.043 17.228 -8.053 1.00 0.00 C ATOM 510 O LEU A 35 -13.863 17.535 -7.889 1.00 0.00 O ATOM 511 CB LEU A 35 -16.639 15.923 -6.637 1.00 0.00 C ATOM 512 CG LEU A 35 -15.816 14.990 -5.748 1.00 0.00 C ATOM 513 CD1 LEU A 35 -14.600 14.472 -6.500 1.00 0.00 C ATOM 514 CD2 LEU A 35 -15.392 15.704 -4.473 1.00 0.00 C ATOM 0 H LEU A 35 -18.022 17.861 -7.287 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.505 17.639 -6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.619 16.057 -6.180 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -16.799 15.431 -7.596 1.00 0.00 H new ATOM 0 HG LEU A 35 -16.439 14.138 -5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.026 13.810 -5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.925 13.923 -7.383 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -13.976 15.312 -6.805 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -14.807 15.025 -3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -14.787 16.574 -4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.277 16.025 -3.924 1.00 0.00 H new ATOM 526 N GLU A 36 -15.530 16.820 -9.221 1.00 0.00 N ATOM 527 CA GLU A 36 -14.684 16.705 -10.402 1.00 0.00 C ATOM 528 C GLU A 36 -14.052 18.050 -10.752 1.00 0.00 C ATOM 529 O GLU A 36 -12.866 18.126 -11.072 1.00 0.00 O ATOM 530 CB GLU A 36 -15.496 16.186 -11.590 1.00 0.00 C ATOM 531 CG GLU A 36 -16.610 17.125 -12.023 1.00 0.00 C ATOM 532 CD GLU A 36 -17.651 16.438 -12.885 1.00 0.00 C ATOM 533 OE1 GLU A 36 -18.177 15.390 -12.455 1.00 0.00 O ATOM 534 OE2 GLU A 36 -17.939 16.947 -13.988 1.00 0.00 O ATOM 0 H GLU A 36 -16.505 16.564 -9.374 1.00 0.00 H new ATOM 0 HA GLU A 36 -13.887 15.996 -10.179 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.825 16.019 -12.433 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.928 15.219 -11.330 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -17.093 17.541 -11.139 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -16.181 17.961 -12.575 1.00 0.00 H new ATOM 541 N ASP A 37 -14.855 19.107 -10.690 1.00 0.00 N ATOM 542 CA ASP A 37 -14.376 20.449 -10.999 1.00 0.00 C ATOM 543 C ASP A 37 -13.197 20.825 -10.107 1.00 0.00 C ATOM 544 O ASP A 37 -12.228 21.431 -10.564 1.00 0.00 O ATOM 545 CB ASP A 37 -15.504 21.468 -10.830 1.00 0.00 C ATOM 546 CG ASP A 37 -16.628 21.258 -11.826 1.00 0.00 C ATOM 547 OD1 ASP A 37 -16.431 20.487 -12.789 1.00 0.00 O ATOM 548 OD2 ASP A 37 -17.704 21.864 -11.643 1.00 0.00 O ATOM 0 H ASP A 37 -15.840 19.060 -10.429 1.00 0.00 H new ATOM 0 HA ASP A 37 -14.041 20.458 -12.036 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.902 21.400 -9.818 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -15.101 22.474 -10.948 1.00 0.00 H new ATOM 553 N ALA A 38 -13.287 20.461 -8.832 1.00 0.00 N ATOM 554 CA ALA A 38 -12.227 20.759 -7.876 1.00 0.00 C ATOM 555 C ALA A 38 -10.920 20.085 -8.278 1.00 0.00 C ATOM 556 O ALA A 38 -9.882 20.737 -8.393 1.00 0.00 O ATOM 557 CB ALA A 38 -12.640 20.323 -6.478 1.00 0.00 C ATOM 0 H ALA A 38 -14.083 19.960 -8.437 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.064 21.837 -7.875 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.840 20.551 -5.774 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.545 20.855 -6.183 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.832 19.250 -6.473 1.00 0.00 H new ATOM 563 N THR A 39 -10.976 18.773 -8.489 1.00 0.00 N ATOM 564 CA THR A 39 -9.796 18.010 -8.876 1.00 0.00 C ATOM 565 C THR A 39 -9.259 18.475 -10.225 1.00 0.00 C ATOM 566 O THR A 39 -8.069 18.763 -10.365 1.00 0.00 O ATOM 567 CB THR A 39 -10.102 16.502 -8.950 1.00 0.00 C ATOM 568 OG1 THR A 39 -10.699 16.063 -7.725 1.00 0.00 O ATOM 569 CG2 THR A 39 -8.833 15.706 -9.217 1.00 0.00 C ATOM 0 H THR A 39 -11.826 18.217 -8.398 1.00 0.00 H new ATOM 0 HA THR A 39 -9.042 18.183 -8.109 1.00 0.00 H new ATOM 0 HB THR A 39 -10.797 16.334 -9.772 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.892 15.104 -7.781 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.073 14.644 -9.265 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.397 16.023 -10.165 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.118 15.880 -8.413 1.00 0.00 H new ATOM 577 N LEU A 40 -10.141 18.547 -11.215 1.00 0.00 N ATOM 578 CA LEU A 40 -9.755 18.978 -12.554 1.00 0.00 C ATOM 579 C LEU A 40 -8.671 20.049 -12.490 1.00 0.00 C ATOM 580 O LEU A 40 -7.798 20.113 -13.355 1.00 0.00 O ATOM 581 CB LEU A 40 -10.973 19.514 -13.310 1.00 0.00 C ATOM 582 CG LEU A 40 -11.764 18.487 -14.122 1.00 0.00 C ATOM 583 CD1 LEU A 40 -13.050 19.102 -14.651 1.00 0.00 C ATOM 584 CD2 LEU A 40 -10.919 17.946 -15.265 1.00 0.00 C ATOM 0 H LEU A 40 -11.129 18.312 -11.116 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.356 18.114 -13.086 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.648 19.976 -12.590 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.639 20.302 -13.985 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.026 17.657 -13.466 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.600 18.357 -15.226 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.663 19.440 -13.815 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -12.811 19.951 -15.292 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.498 17.217 -15.832 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.626 18.766 -15.921 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.026 17.467 -14.863 1.00 0.00 H new ATOM 596 N GLN A 41 -8.733 20.885 -11.459 1.00 0.00 N ATOM 597 CA GLN A 41 -7.755 21.952 -11.282 1.00 0.00 C ATOM 598 C GLN A 41 -6.517 21.440 -10.554 1.00 0.00 C ATOM 599 O GLN A 41 -5.388 21.726 -10.954 1.00 0.00 O ATOM 600 CB GLN A 41 -8.373 23.116 -10.505 1.00 0.00 C ATOM 601 CG GLN A 41 -9.220 24.040 -11.365 1.00 0.00 C ATOM 602 CD GLN A 41 -9.776 25.216 -10.586 1.00 0.00 C ATOM 603 OE1 GLN A 41 -9.061 26.173 -10.289 1.00 0.00 O ATOM 604 NE2 GLN A 41 -11.059 25.150 -10.249 1.00 0.00 N ATOM 0 H GLN A 41 -9.449 20.844 -10.734 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.455 22.303 -12.269 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.989 22.717 -9.699 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.576 23.696 -10.040 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.618 24.411 -12.195 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.044 23.473 -11.797 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.615 24.338 -10.516 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.488 25.912 -9.723 1.00 0.00 H new ATOM 613 N ILE A 42 -6.736 20.684 -9.484 1.00 0.00 N ATOM 614 CA ILE A 42 -5.638 20.131 -8.701 1.00 0.00 C ATOM 615 C ILE A 42 -4.721 19.275 -9.568 1.00 0.00 C ATOM 616 O ILE A 42 -3.503 19.454 -9.564 1.00 0.00 O ATOM 617 CB ILE A 42 -6.155 19.281 -7.526 1.00 0.00 C ATOM 618 CG1 ILE A 42 -6.993 20.140 -6.577 1.00 0.00 C ATOM 619 CG2 ILE A 42 -4.993 18.641 -6.782 1.00 0.00 C ATOM 620 CD1 ILE A 42 -7.859 19.332 -5.636 1.00 0.00 C ATOM 0 H ILE A 42 -7.664 20.440 -9.139 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.076 20.977 -8.306 1.00 0.00 H new ATOM 0 HB ILE A 42 -6.788 18.487 -7.923 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.328 20.774 -5.991 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.629 20.802 -7.165 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.376 18.044 -5.954 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.433 18.000 -7.463 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.336 19.420 -6.394 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.425 20.006 -4.993 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -8.549 18.717 -6.214 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.228 18.689 -5.022 1.00 0.00 H new ATOM 632 N GLU A 43 -5.315 18.347 -10.311 1.00 0.00 N ATOM 633 CA GLU A 43 -4.550 17.464 -11.184 1.00 0.00 C ATOM 634 C GLU A 43 -3.638 18.267 -12.106 1.00 0.00 C ATOM 635 O GLU A 43 -2.419 18.100 -12.088 1.00 0.00 O ATOM 636 CB GLU A 43 -5.493 16.591 -12.015 1.00 0.00 C ATOM 637 CG GLU A 43 -6.043 15.395 -11.257 1.00 0.00 C ATOM 638 CD GLU A 43 -5.132 14.186 -11.334 1.00 0.00 C ATOM 639 OE1 GLU A 43 -3.914 14.372 -11.539 1.00 0.00 O ATOM 640 OE2 GLU A 43 -5.637 13.053 -11.189 1.00 0.00 O ATOM 0 H GLU A 43 -6.322 18.187 -10.326 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.930 16.823 -10.557 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.325 17.202 -12.366 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.962 16.237 -12.899 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.190 15.668 -10.212 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -7.022 15.134 -11.659 1.00 0.00 H new ATOM 647 N GLU A 44 -4.237 19.138 -12.911 1.00 0.00 N ATOM 648 CA GLU A 44 -3.479 19.966 -13.841 1.00 0.00 C ATOM 649 C GLU A 44 -2.450 20.814 -13.099 1.00 0.00 C ATOM 650 O GLU A 44 -1.447 21.239 -13.675 1.00 0.00 O ATOM 651 CB GLU A 44 -4.420 20.870 -14.640 1.00 0.00 C ATOM 652 CG GLU A 44 -5.139 21.903 -13.789 1.00 0.00 C ATOM 653 CD GLU A 44 -5.823 22.970 -14.621 1.00 0.00 C ATOM 654 OE1 GLU A 44 -5.132 23.912 -15.064 1.00 0.00 O ATOM 655 OE2 GLU A 44 -7.050 22.863 -14.830 1.00 0.00 O ATOM 0 H GLU A 44 -5.245 19.289 -12.938 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.952 19.305 -14.529 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.848 21.383 -15.413 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.160 20.252 -15.148 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.880 21.403 -13.166 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.424 22.375 -13.116 1.00 0.00 H new ATOM 662 N LEU A 45 -2.706 21.059 -11.819 1.00 0.00 N ATOM 663 CA LEU A 45 -1.803 21.857 -10.997 1.00 0.00 C ATOM 664 C LEU A 45 -0.580 21.044 -10.585 1.00 0.00 C ATOM 665 O LEU A 45 0.494 21.598 -10.347 1.00 0.00 O ATOM 666 CB LEU A 45 -2.532 22.368 -9.753 1.00 0.00 C ATOM 667 CG LEU A 45 -1.666 22.594 -8.512 1.00 0.00 C ATOM 668 CD1 LEU A 45 -0.737 23.780 -8.718 1.00 0.00 C ATOM 669 CD2 LEU A 45 -2.539 22.804 -7.284 1.00 0.00 C ATOM 0 H LEU A 45 -3.532 20.717 -11.328 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.468 22.708 -11.590 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.023 23.308 -10.005 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.317 21.656 -9.499 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.056 21.705 -8.351 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.129 23.925 -7.825 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.087 23.589 -9.572 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.328 24.677 -8.905 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.906 22.963 -6.411 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.175 23.676 -7.435 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.162 21.923 -7.125 1.00 0.00 H new ATOM 681 N TRP A 46 -0.749 19.729 -10.505 1.00 0.00 N ATOM 682 CA TRP A 46 0.343 18.840 -10.124 1.00 0.00 C ATOM 683 C TRP A 46 1.234 18.529 -11.321 1.00 0.00 C ATOM 684 O TRP A 46 2.428 18.270 -11.168 1.00 0.00 O ATOM 685 CB TRP A 46 -0.212 17.542 -9.534 1.00 0.00 C ATOM 686 CG TRP A 46 0.730 16.383 -9.659 1.00 0.00 C ATOM 687 CD1 TRP A 46 0.808 15.498 -10.695 1.00 0.00 C ATOM 688 CD2 TRP A 46 1.728 15.984 -8.712 1.00 0.00 C ATOM 689 NE1 TRP A 46 1.793 14.572 -10.450 1.00 0.00 N ATOM 690 CE2 TRP A 46 2.373 14.849 -9.240 1.00 0.00 C ATOM 691 CE3 TRP A 46 2.140 16.476 -7.471 1.00 0.00 C ATOM 692 CZ2 TRP A 46 3.405 14.200 -8.568 1.00 0.00 C ATOM 693 CZ3 TRP A 46 3.164 15.831 -6.805 1.00 0.00 C ATOM 694 CH2 TRP A 46 3.788 14.703 -7.355 1.00 0.00 C ATOM 0 H TRP A 46 -1.631 19.255 -10.699 1.00 0.00 H new ATOM 0 HA TRP A 46 0.945 19.346 -9.369 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.445 17.700 -8.481 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.149 17.295 -10.034 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.187 15.522 -11.578 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.051 13.803 -11.069 1.00 0.00 H new ATOM 0 HE3 TRP A 46 1.666 17.345 -7.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 3.886 13.330 -8.990 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.489 16.202 -5.844 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.587 14.222 -6.810 1.00 0.00 H new ATOM 705 N LYS A 47 0.648 18.557 -12.513 1.00 0.00 N ATOM 706 CA LYS A 47 1.390 18.280 -13.737 1.00 0.00 C ATOM 707 C LYS A 47 2.226 19.486 -14.152 1.00 0.00 C ATOM 708 O LYS A 47 2.927 19.451 -15.164 1.00 0.00 O ATOM 709 CB LYS A 47 0.428 17.900 -14.866 1.00 0.00 C ATOM 710 CG LYS A 47 -0.327 16.607 -14.612 1.00 0.00 C ATOM 711 CD LYS A 47 -1.694 16.620 -15.276 1.00 0.00 C ATOM 712 CE LYS A 47 -1.578 16.680 -16.791 1.00 0.00 C ATOM 713 NZ LYS A 47 -2.740 17.375 -17.410 1.00 0.00 N ATOM 0 H LYS A 47 -0.339 18.769 -12.657 1.00 0.00 H new ATOM 0 HA LYS A 47 2.062 17.444 -13.543 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.290 18.708 -15.008 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.990 17.806 -15.795 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.254 15.765 -14.989 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.444 16.458 -13.539 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.248 15.727 -14.988 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.264 17.478 -14.920 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.658 17.197 -17.064 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.506 15.668 -17.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.623 17.395 -18.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.616 16.868 -17.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.795 18.349 -17.049 1.00 0.00 H new ATOM 727 N THR A 48 2.150 20.553 -13.362 1.00 0.00 N ATOM 728 CA THR A 48 2.900 21.769 -13.647 1.00 0.00 C ATOM 729 C THR A 48 3.758 22.178 -12.456 1.00 0.00 C ATOM 730 O THR A 48 4.433 23.208 -12.488 1.00 0.00 O ATOM 731 CB THR A 48 1.962 22.935 -14.014 1.00 0.00 C ATOM 732 OG1 THR A 48 2.730 24.073 -14.419 1.00 0.00 O ATOM 733 CG2 THR A 48 1.076 23.308 -12.835 1.00 0.00 C ATOM 0 H THR A 48 1.576 20.599 -12.520 1.00 0.00 H new ATOM 0 HA THR A 48 3.545 21.550 -14.498 1.00 0.00 H new ATOM 0 HB THR A 48 1.326 22.615 -14.839 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.562 24.107 -13.902 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.423 24.133 -13.118 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.471 22.448 -12.548 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.699 23.610 -11.993 1.00 0.00 H new ATOM 741 N LEU A 49 3.728 21.366 -11.405 1.00 0.00 N ATOM 742 CA LEU A 49 4.505 21.643 -10.201 1.00 0.00 C ATOM 743 C LEU A 49 5.996 21.704 -10.517 1.00 0.00 C ATOM 744 O LEU A 49 6.401 21.585 -11.674 1.00 0.00 O ATOM 745 CB LEU A 49 4.239 20.572 -9.142 1.00 0.00 C ATOM 746 CG LEU A 49 3.022 20.801 -8.245 1.00 0.00 C ATOM 747 CD1 LEU A 49 2.590 19.500 -7.588 1.00 0.00 C ATOM 748 CD2 LEU A 49 3.327 21.857 -7.192 1.00 0.00 C ATOM 0 H LEU A 49 3.174 20.511 -11.362 1.00 0.00 H new ATOM 0 HA LEU A 49 4.195 22.613 -9.813 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.118 19.613 -9.646 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.122 20.489 -8.508 1.00 0.00 H new ATOM 0 HG LEU A 49 2.201 21.161 -8.865 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.723 19.683 -6.954 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.330 18.773 -8.357 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.407 19.110 -6.981 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.450 22.007 -6.563 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.163 21.526 -6.576 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.587 22.795 -7.682 1.00 0.00 H new ATOM 760 N SER A 50 6.808 21.888 -9.481 1.00 0.00 N ATOM 761 CA SER A 50 8.254 21.967 -9.648 1.00 0.00 C ATOM 762 C SER A 50 8.892 20.587 -9.515 1.00 0.00 C ATOM 763 O SER A 50 8.368 19.715 -8.823 1.00 0.00 O ATOM 764 CB SER A 50 8.857 22.922 -8.617 1.00 0.00 C ATOM 765 OG SER A 50 8.899 24.248 -9.113 1.00 0.00 O ATOM 0 H SER A 50 6.489 21.985 -8.517 1.00 0.00 H new ATOM 0 HA SER A 50 8.459 22.348 -10.648 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.268 22.892 -7.701 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.864 22.595 -8.359 1.00 0.00 H new ATOM 0 HG SER A 50 9.287 24.839 -8.434 1.00 0.00 H new ATOM 771 N GLU A 51 10.026 20.399 -10.183 1.00 0.00 N ATOM 772 CA GLU A 51 10.735 19.126 -10.139 1.00 0.00 C ATOM 773 C GLU A 51 10.809 18.593 -8.711 1.00 0.00 C ATOM 774 O GLU A 51 10.171 17.596 -8.377 1.00 0.00 O ATOM 775 CB GLU A 51 12.146 19.282 -10.711 1.00 0.00 C ATOM 776 CG GLU A 51 12.221 19.067 -12.213 1.00 0.00 C ATOM 777 CD GLU A 51 13.404 19.775 -12.845 1.00 0.00 C ATOM 778 OE1 GLU A 51 13.367 21.020 -12.941 1.00 0.00 O ATOM 779 OE2 GLU A 51 14.365 19.085 -13.244 1.00 0.00 O ATOM 0 H GLU A 51 10.473 21.111 -10.760 1.00 0.00 H new ATOM 0 HA GLU A 51 10.182 18.410 -10.747 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.516 20.280 -10.476 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.810 18.572 -10.217 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.288 17.999 -12.421 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.300 19.424 -12.674 1.00 0.00 H new ATOM 786 N GLU A 52 11.594 19.265 -7.875 1.00 0.00 N ATOM 787 CA GLU A 52 11.753 18.858 -6.484 1.00 0.00 C ATOM 788 C GLU A 52 10.399 18.556 -5.847 1.00 0.00 C ATOM 789 O GLU A 52 10.188 17.475 -5.298 1.00 0.00 O ATOM 790 CB GLU A 52 12.470 19.951 -5.688 1.00 0.00 C ATOM 791 CG GLU A 52 13.056 19.462 -4.374 1.00 0.00 C ATOM 792 CD GLU A 52 14.480 18.961 -4.520 1.00 0.00 C ATOM 793 OE1 GLU A 52 14.662 17.817 -4.984 1.00 0.00 O ATOM 794 OE2 GLU A 52 15.412 19.715 -4.170 1.00 0.00 O ATOM 0 H GLU A 52 12.129 20.093 -8.136 1.00 0.00 H new ATOM 0 HA GLU A 52 12.355 17.950 -6.465 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.270 20.369 -6.300 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.768 20.760 -5.485 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.033 20.273 -3.646 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.432 18.661 -3.978 1.00 0.00 H new ATOM 801 N GLU A 53 9.487 19.520 -5.926 1.00 0.00 N ATOM 802 CA GLU A 53 8.154 19.357 -5.356 1.00 0.00 C ATOM 803 C GLU A 53 7.618 17.953 -5.620 1.00 0.00 C ATOM 804 O GLU A 53 7.202 17.251 -4.698 1.00 0.00 O ATOM 805 CB GLU A 53 7.196 20.399 -5.937 1.00 0.00 C ATOM 806 CG GLU A 53 5.993 20.680 -5.053 1.00 0.00 C ATOM 807 CD GLU A 53 6.385 21.073 -3.642 1.00 0.00 C ATOM 808 OE1 GLU A 53 6.570 22.283 -3.393 1.00 0.00 O ATOM 809 OE2 GLU A 53 6.507 20.171 -2.787 1.00 0.00 O ATOM 0 H GLU A 53 9.646 20.420 -6.378 1.00 0.00 H new ATOM 0 HA GLU A 53 8.227 19.503 -4.278 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.740 21.329 -6.101 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.848 20.057 -6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.399 21.479 -5.497 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.359 19.794 -5.017 1.00 0.00 H new ATOM 816 N LYS A 54 7.629 17.550 -6.886 1.00 0.00 N ATOM 817 CA LYS A 54 7.145 16.230 -7.273 1.00 0.00 C ATOM 818 C LYS A 54 7.988 15.132 -6.633 1.00 0.00 C ATOM 819 O LYS A 54 7.457 14.217 -6.001 1.00 0.00 O ATOM 820 CB LYS A 54 7.168 16.083 -8.796 1.00 0.00 C ATOM 821 CG LYS A 54 6.264 17.068 -9.516 1.00 0.00 C ATOM 822 CD LYS A 54 5.948 16.606 -10.929 1.00 0.00 C ATOM 823 CE LYS A 54 4.720 15.709 -10.961 1.00 0.00 C ATOM 824 NZ LYS A 54 4.417 15.232 -12.339 1.00 0.00 N ATOM 0 H LYS A 54 7.968 18.119 -7.662 1.00 0.00 H new ATOM 0 HA LYS A 54 6.119 16.128 -6.919 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.190 16.215 -9.150 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.868 15.069 -9.059 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.337 17.189 -8.956 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.745 18.046 -9.551 1.00 0.00 H new ATOM 0 HD2 LYS A 54 5.783 17.473 -11.568 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.804 16.068 -11.337 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.879 14.852 -10.307 1.00 0.00 H new ATOM 0 HE3 LYS A 54 3.862 16.254 -10.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.574 14.624 -12.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.240 16.049 -12.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.226 14.690 -12.704 1.00 0.00 H new ATOM 838 N LEU A 55 9.302 15.228 -6.799 1.00 0.00 N ATOM 839 CA LEU A 55 10.219 14.243 -6.236 1.00 0.00 C ATOM 840 C LEU A 55 9.797 13.851 -4.824 1.00 0.00 C ATOM 841 O LEU A 55 9.543 12.680 -4.542 1.00 0.00 O ATOM 842 CB LEU A 55 11.645 14.795 -6.219 1.00 0.00 C ATOM 843 CG LEU A 55 12.477 14.543 -7.477 1.00 0.00 C ATOM 844 CD1 LEU A 55 12.764 13.058 -7.639 1.00 0.00 C ATOM 845 CD2 LEU A 55 11.764 15.087 -8.706 1.00 0.00 C ATOM 0 H LEU A 55 9.757 15.978 -7.319 1.00 0.00 H new ATOM 0 HA LEU A 55 10.188 13.353 -6.865 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.595 15.871 -6.050 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.170 14.363 -5.367 1.00 0.00 H new ATOM 0 HG LEU A 55 13.427 15.066 -7.371 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.357 12.898 -8.540 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.317 12.698 -6.772 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.824 12.513 -7.722 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.371 14.899 -9.592 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.799 14.592 -8.815 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.611 16.160 -8.593 1.00 0.00 H new ATOM 857 N LYS A 56 9.721 14.840 -3.939 1.00 0.00 N ATOM 858 CA LYS A 56 9.326 14.601 -2.556 1.00 0.00 C ATOM 859 C LYS A 56 8.173 13.605 -2.483 1.00 0.00 C ATOM 860 O LYS A 56 8.195 12.672 -1.681 1.00 0.00 O ATOM 861 CB LYS A 56 8.922 15.915 -1.885 1.00 0.00 C ATOM 862 CG LYS A 56 10.093 16.680 -1.291 1.00 0.00 C ATOM 863 CD LYS A 56 9.627 17.906 -0.524 1.00 0.00 C ATOM 864 CE LYS A 56 8.987 17.525 0.802 1.00 0.00 C ATOM 865 NZ LYS A 56 9.980 16.950 1.751 1.00 0.00 N ATOM 0 H LYS A 56 9.928 15.815 -4.156 1.00 0.00 H new ATOM 0 HA LYS A 56 10.181 14.179 -2.028 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.419 16.547 -2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.200 15.704 -1.097 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.656 16.026 -0.625 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.772 16.984 -2.088 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.475 18.567 -0.343 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.911 18.464 -1.128 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.525 18.405 1.249 1.00 0.00 H new ATOM 0 HE3 LYS A 56 8.191 16.802 0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.598 16.986 2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.176 15.962 1.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 10.861 17.500 1.707 1.00 0.00 H new ATOM 879 N TYR A 57 7.168 13.810 -3.328 1.00 0.00 N ATOM 880 CA TYR A 57 6.005 12.931 -3.359 1.00 0.00 C ATOM 881 C TYR A 57 6.359 11.580 -3.974 1.00 0.00 C ATOM 882 O TYR A 57 6.110 10.532 -3.381 1.00 0.00 O ATOM 883 CB TYR A 57 4.868 13.581 -4.149 1.00 0.00 C ATOM 884 CG TYR A 57 3.948 14.428 -3.299 1.00 0.00 C ATOM 885 CD1 TYR A 57 2.851 13.868 -2.656 1.00 0.00 C ATOM 886 CD2 TYR A 57 4.176 15.790 -3.138 1.00 0.00 C ATOM 887 CE1 TYR A 57 2.007 14.638 -1.880 1.00 0.00 C ATOM 888 CE2 TYR A 57 3.338 16.567 -2.362 1.00 0.00 C ATOM 889 CZ TYR A 57 2.255 15.987 -1.736 1.00 0.00 C ATOM 890 OH TYR A 57 1.418 16.758 -0.962 1.00 0.00 O ATOM 0 H TYR A 57 7.136 14.577 -4.000 1.00 0.00 H new ATOM 0 HA TYR A 57 5.678 12.768 -2.332 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.293 14.201 -4.938 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.283 12.801 -4.637 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.655 12.812 -2.765 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.022 16.248 -3.628 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.158 14.186 -1.389 1.00 0.00 H new ATOM 0 HE2 TYR A 57 3.530 17.623 -2.246 1.00 0.00 H new ATOM 0 HH TYR A 57 1.733 17.686 -0.964 1.00 0.00 H new ATOM 900 N GLU A 58 6.942 11.616 -5.168 1.00 0.00 N ATOM 901 CA GLU A 58 7.330 10.396 -5.865 1.00 0.00 C ATOM 902 C GLU A 58 7.909 9.374 -4.891 1.00 0.00 C ATOM 903 O GLU A 58 7.550 8.198 -4.924 1.00 0.00 O ATOM 904 CB GLU A 58 8.353 10.710 -6.959 1.00 0.00 C ATOM 905 CG GLU A 58 7.788 11.539 -8.101 1.00 0.00 C ATOM 906 CD GLU A 58 7.183 10.685 -9.198 1.00 0.00 C ATOM 907 OE1 GLU A 58 7.923 10.300 -10.127 1.00 0.00 O ATOM 908 OE2 GLU A 58 5.969 10.401 -9.127 1.00 0.00 O ATOM 0 H GLU A 58 7.156 12.476 -5.672 1.00 0.00 H new ATOM 0 HA GLU A 58 6.437 9.971 -6.324 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.194 11.243 -6.516 1.00 0.00 H new ATOM 0 HB3 GLU A 58 8.743 9.774 -7.359 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.028 12.216 -7.712 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.580 12.158 -8.523 1.00 0.00 H new ATOM 915 N GLU A 59 8.808 9.833 -4.025 1.00 0.00 N ATOM 916 CA GLU A 59 9.437 8.959 -3.043 1.00 0.00 C ATOM 917 C GLU A 59 8.391 8.131 -2.302 1.00 0.00 C ATOM 918 O GLU A 59 8.567 6.930 -2.093 1.00 0.00 O ATOM 919 CB GLU A 59 10.254 9.782 -2.044 1.00 0.00 C ATOM 920 CG GLU A 59 11.698 9.994 -2.467 1.00 0.00 C ATOM 921 CD GLU A 59 12.510 10.732 -1.421 1.00 0.00 C ATOM 922 OE1 GLU A 59 12.206 11.916 -1.162 1.00 0.00 O ATOM 923 OE2 GLU A 59 13.448 10.128 -0.861 1.00 0.00 O ATOM 0 H GLU A 59 9.116 10.804 -3.984 1.00 0.00 H new ATOM 0 HA GLU A 59 10.104 8.279 -3.574 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.777 10.753 -1.910 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.238 9.283 -1.075 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.160 9.027 -2.665 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.720 10.555 -3.401 1.00 0.00 H new ATOM 930 N LYS A 60 7.303 8.782 -1.905 1.00 0.00 N ATOM 931 CA LYS A 60 6.227 8.108 -1.188 1.00 0.00 C ATOM 932 C LYS A 60 5.557 7.061 -2.071 1.00 0.00 C ATOM 933 O LYS A 60 5.409 5.904 -1.676 1.00 0.00 O ATOM 934 CB LYS A 60 5.190 9.126 -0.709 1.00 0.00 C ATOM 935 CG LYS A 60 5.582 9.836 0.575 1.00 0.00 C ATOM 936 CD LYS A 60 4.862 11.166 0.720 1.00 0.00 C ATOM 937 CE LYS A 60 3.406 10.972 1.113 1.00 0.00 C ATOM 938 NZ LYS A 60 2.786 12.239 1.591 1.00 0.00 N ATOM 0 H LYS A 60 7.143 9.776 -2.068 1.00 0.00 H new ATOM 0 HA LYS A 60 6.660 7.605 -0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.034 9.868 -1.492 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.238 8.618 -0.557 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.349 9.200 1.429 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.659 10.002 0.586 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.365 11.773 1.473 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.916 11.715 -0.220 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.846 10.594 0.257 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.339 10.217 1.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 1.794 12.064 1.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.304 12.587 2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.827 12.952 0.835 1.00 0.00 H new ATOM 952 N ALA A 61 5.153 7.473 -3.269 1.00 0.00 N ATOM 953 CA ALA A 61 4.502 6.569 -4.209 1.00 0.00 C ATOM 954 C ALA A 61 5.405 5.389 -4.550 1.00 0.00 C ATOM 955 O ALA A 61 5.067 4.236 -4.280 1.00 0.00 O ATOM 956 CB ALA A 61 4.107 7.318 -5.473 1.00 0.00 C ATOM 0 H ALA A 61 5.265 8.427 -3.611 1.00 0.00 H new ATOM 0 HA ALA A 61 3.601 6.178 -3.736 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.622 6.631 -6.166 1.00 0.00 H new ATOM 0 HB2 ALA A 61 3.418 8.123 -5.218 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.998 7.737 -5.941 1.00 0.00 H new ATOM 962 N THR A 62 6.556 5.683 -5.148 1.00 0.00 N ATOM 963 CA THR A 62 7.506 4.647 -5.529 1.00 0.00 C ATOM 964 C THR A 62 7.754 3.678 -4.378 1.00 0.00 C ATOM 965 O THR A 62 7.740 2.461 -4.563 1.00 0.00 O ATOM 966 CB THR A 62 8.851 5.253 -5.973 1.00 0.00 C ATOM 967 OG1 THR A 62 9.638 4.262 -6.642 1.00 0.00 O ATOM 968 CG2 THR A 62 9.620 5.798 -4.779 1.00 0.00 C ATOM 0 H THR A 62 6.852 6.632 -5.379 1.00 0.00 H new ATOM 0 HA THR A 62 7.065 4.107 -6.367 1.00 0.00 H new ATOM 0 HB THR A 62 8.645 6.075 -6.658 1.00 0.00 H new ATOM 0 HG1 THR A 62 10.491 4.656 -6.922 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.566 6.221 -5.118 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.031 6.573 -4.290 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.815 4.991 -4.073 1.00 0.00 H new ATOM 976 N LYS A 63 7.981 4.226 -3.189 1.00 0.00 N ATOM 977 CA LYS A 63 8.230 3.411 -2.005 1.00 0.00 C ATOM 978 C LYS A 63 7.258 2.237 -1.938 1.00 0.00 C ATOM 979 O LYS A 63 7.564 1.198 -1.355 1.00 0.00 O ATOM 980 CB LYS A 63 8.107 4.262 -0.739 1.00 0.00 C ATOM 981 CG LYS A 63 8.427 3.503 0.537 1.00 0.00 C ATOM 982 CD LYS A 63 8.058 4.308 1.772 1.00 0.00 C ATOM 983 CE LYS A 63 7.678 3.404 2.934 1.00 0.00 C ATOM 984 NZ LYS A 63 8.831 2.585 3.400 1.00 0.00 N ATOM 0 H LYS A 63 7.998 5.232 -3.019 1.00 0.00 H new ATOM 0 HA LYS A 63 9.244 3.017 -2.073 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.777 5.118 -0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.093 4.656 -0.673 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.887 2.556 0.544 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.490 3.263 0.562 1.00 0.00 H new ATOM 0 HD2 LYS A 63 8.899 4.939 2.061 1.00 0.00 H new ATOM 0 HD3 LYS A 63 7.226 4.972 1.539 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.306 4.011 3.760 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.864 2.746 2.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.535 1.995 4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.159 1.975 2.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.605 3.213 3.698 1.00 0.00 H new ATOM 998 N ASP A 64 6.086 2.411 -2.540 1.00 0.00 N ATOM 999 CA ASP A 64 5.070 1.365 -2.551 1.00 0.00 C ATOM 1000 C ASP A 64 5.121 0.571 -3.853 1.00 0.00 C ATOM 1001 O ASP A 64 4.845 -0.630 -3.871 1.00 0.00 O ATOM 1002 CB ASP A 64 3.679 1.973 -2.365 1.00 0.00 C ATOM 1003 CG ASP A 64 2.687 0.985 -1.785 1.00 0.00 C ATOM 1004 OD1 ASP A 64 2.852 -0.230 -2.023 1.00 0.00 O ATOM 1005 OD2 ASP A 64 1.747 1.426 -1.092 1.00 0.00 O ATOM 0 H ASP A 64 5.816 3.266 -3.026 1.00 0.00 H new ATOM 0 HA ASP A 64 5.275 0.686 -1.724 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.750 2.840 -1.708 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.311 2.331 -3.327 1.00 0.00 H new ATOM 1010 N LEU A 65 5.475 1.248 -4.939 1.00 0.00 N ATOM 1011 CA LEU A 65 5.561 0.606 -6.246 1.00 0.00 C ATOM 1012 C LEU A 65 6.427 -0.648 -6.181 1.00 0.00 C ATOM 1013 O LEU A 65 5.973 -1.744 -6.508 1.00 0.00 O ATOM 1014 CB LEU A 65 6.133 1.580 -7.278 1.00 0.00 C ATOM 1015 CG LEU A 65 6.442 0.994 -8.656 1.00 0.00 C ATOM 1016 CD1 LEU A 65 5.161 0.568 -9.355 1.00 0.00 C ATOM 1017 CD2 LEU A 65 7.205 2.000 -9.505 1.00 0.00 C ATOM 0 H LEU A 65 5.707 2.241 -4.941 1.00 0.00 H new ATOM 0 HA LEU A 65 4.554 0.316 -6.547 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.426 2.400 -7.404 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.050 2.009 -6.874 1.00 0.00 H new ATOM 0 HG LEU A 65 7.069 0.112 -8.522 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.401 0.154 -10.334 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.653 -0.188 -8.756 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.508 1.432 -9.477 1.00 0.00 H new ATOM 0 HD21 LEU A 65 7.416 1.566 -10.482 1.00 0.00 H new ATOM 0 HD22 LEU A 65 6.604 2.900 -9.631 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.143 2.256 -9.011 1.00 0.00 H new