USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 567 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 LYS NZ :NH3+ -136:sc= -2.96! (180deg=-6.1!) USER MOD Single : A 15 THR OG1 : rot 73:sc= -0.459! USER MOD Single : A 19 THR OG1 : rot 81:sc= -1.11 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -3.62! K(o=-3.6!,f=-1.9) USER MOD Single : A 28 GLN : amide:sc= -24.6! C(o=-25!,f=-24!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -153:sc= -0.0864 (180deg=-0.844) USER MOD Single : A 36 GLN : amide:sc= -0.2 X(o=-0.2,f=-0.22) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 86:sc= 0.336 USER MOD Single : A 88 SER OG : rot -38:sc= -0.556 USER MOD Single : A 90 THR OG1 : rot 81:sc= 0.631 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot -91:sc= -1.59 USER MOD Single : A 94 HIS : no HD1:sc= -0.0604 K(o=-0.06,f=-0.66) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 169:sc=-0.000579 (180deg=-0.163) USER MOD Single : A 99 THR OG1 : rot -24:sc= 0.343 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0.214 USER MOD Single : A 102 SER OG : rot 180:sc= -0.136 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 107 N PHE A 7 -11.044 -20.414 -4.828 1.00 0.00 N ATOM 108 CA PHE A 7 -10.295 -19.287 -4.292 1.00 0.00 C ATOM 109 C PHE A 7 -10.822 -17.995 -4.903 1.00 0.00 C ATOM 110 O PHE A 7 -10.992 -16.989 -4.214 1.00 0.00 O ATOM 111 CB PHE A 7 -8.801 -19.451 -4.601 1.00 0.00 C ATOM 112 CG PHE A 7 -7.982 -18.622 -3.634 1.00 0.00 C ATOM 113 CD1 PHE A 7 -7.982 -17.226 -3.731 1.00 0.00 C ATOM 114 CD2 PHE A 7 -7.229 -19.253 -2.634 1.00 0.00 C ATOM 115 CE1 PHE A 7 -7.226 -16.463 -2.831 1.00 0.00 C ATOM 116 CE2 PHE A 7 -6.475 -18.491 -1.736 1.00 0.00 C ATOM 117 CZ PHE A 7 -6.472 -17.095 -1.836 1.00 0.00 C ATOM 0 HA PHE A 7 -10.421 -19.250 -3.210 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -8.518 -20.501 -4.524 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -8.596 -19.139 -5.625 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -8.564 -16.737 -4.498 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -7.231 -20.330 -2.557 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.225 -15.386 -2.905 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -5.896 -18.979 -0.966 1.00 0.00 H new ATOM 0 HZ PHE A 7 -5.888 -16.505 -1.145 1.00 0.00 H new ATOM 127 N ALA A 8 -11.106 -18.044 -6.202 1.00 0.00 N ATOM 128 CA ALA A 8 -11.646 -16.889 -6.903 1.00 0.00 C ATOM 129 C ALA A 8 -12.972 -16.513 -6.272 1.00 0.00 C ATOM 130 O ALA A 8 -13.285 -15.342 -6.111 1.00 0.00 O ATOM 131 CB ALA A 8 -11.854 -17.218 -8.382 1.00 0.00 C ATOM 0 H ALA A 8 -10.971 -18.869 -6.786 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.946 -16.057 -6.828 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -12.258 -16.346 -8.895 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.900 -17.493 -8.831 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.552 -18.050 -8.475 1.00 0.00 H new ATOM 137 N ARG A 9 -13.746 -17.521 -5.905 1.00 0.00 N ATOM 138 CA ARG A 9 -15.038 -17.280 -5.282 1.00 0.00 C ATOM 139 C ARG A 9 -14.863 -16.553 -3.959 1.00 0.00 C ATOM 140 O ARG A 9 -15.639 -15.670 -3.631 1.00 0.00 O ATOM 141 CB ARG A 9 -15.756 -18.604 -5.015 1.00 0.00 C ATOM 142 CG ARG A 9 -16.184 -19.268 -6.342 1.00 0.00 C ATOM 143 CD ARG A 9 -17.586 -18.796 -6.754 1.00 0.00 C ATOM 144 NE ARG A 9 -17.553 -17.408 -7.195 1.00 0.00 N ATOM 145 CZ ARG A 9 -18.674 -16.713 -7.358 1.00 0.00 C ATOM 146 NH1 ARG A 9 -19.829 -17.276 -7.126 1.00 0.00 N ATOM 147 NH2 ARG A 9 -18.621 -15.471 -7.752 1.00 0.00 N1+ ATOM 0 H ARG A 9 -13.506 -18.505 -6.026 1.00 0.00 H new ATOM 0 HA ARG A 9 -15.629 -16.669 -5.964 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -15.099 -19.275 -4.462 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -16.632 -18.429 -4.390 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -15.467 -19.023 -7.126 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -16.177 -20.352 -6.231 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -17.967 -19.429 -7.556 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -18.272 -18.899 -5.913 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.655 -16.962 -7.382 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -19.870 -18.248 -6.820 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -20.690 -16.744 -7.251 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -17.719 -15.032 -7.935 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -19.482 -14.938 -7.877 1.00 0.00 H new ATOM 161 N LEU A 10 -13.854 -16.934 -3.192 1.00 0.00 N ATOM 162 CA LEU A 10 -13.628 -16.298 -1.902 1.00 0.00 C ATOM 163 C LEU A 10 -13.167 -14.860 -2.067 1.00 0.00 C ATOM 164 O LEU A 10 -13.628 -13.959 -1.368 1.00 0.00 O ATOM 165 CB LEU A 10 -12.559 -17.067 -1.135 1.00 0.00 C ATOM 166 CG LEU A 10 -13.095 -18.442 -0.673 1.00 0.00 C ATOM 167 CD1 LEU A 10 -11.934 -19.286 -0.118 1.00 0.00 C ATOM 168 CD2 LEU A 10 -14.175 -18.278 0.422 1.00 0.00 C ATOM 0 H LEU A 10 -13.188 -17.668 -3.433 1.00 0.00 H new ATOM 0 HA LEU A 10 -14.572 -16.304 -1.356 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.682 -17.207 -1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -12.239 -16.487 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 10 -13.544 -18.940 -1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.312 -20.255 0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -11.185 -19.431 -0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -11.481 -18.770 0.729 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -14.535 -19.260 0.728 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -13.746 -17.764 1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -15.007 -17.694 0.028 1.00 0.00 H new ATOM 180 N VAL A 11 -12.255 -14.660 -2.997 1.00 0.00 N ATOM 181 CA VAL A 11 -11.731 -13.330 -3.252 1.00 0.00 C ATOM 182 C VAL A 11 -12.847 -12.471 -3.807 1.00 0.00 C ATOM 183 O VAL A 11 -13.056 -11.336 -3.380 1.00 0.00 O ATOM 184 CB VAL A 11 -10.571 -13.390 -4.252 1.00 0.00 C ATOM 185 CG1 VAL A 11 -10.132 -11.972 -4.623 1.00 0.00 C ATOM 186 CG2 VAL A 11 -9.381 -14.136 -3.638 1.00 0.00 C ATOM 0 H VAL A 11 -11.863 -15.395 -3.586 1.00 0.00 H new ATOM 0 HA VAL A 11 -11.355 -12.903 -2.322 1.00 0.00 H new ATOM 0 HB VAL A 11 -10.908 -13.918 -5.144 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -9.307 -12.021 -5.334 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -10.969 -11.438 -5.074 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -9.807 -11.445 -3.726 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -8.563 -14.172 -4.358 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -9.050 -13.616 -2.739 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -9.682 -15.151 -3.380 1.00 0.00 H new ATOM 196 N LYS A 12 -13.577 -13.044 -4.753 1.00 0.00 N ATOM 197 CA LYS A 12 -14.695 -12.355 -5.358 1.00 0.00 C ATOM 198 C LYS A 12 -15.757 -12.081 -4.314 1.00 0.00 C ATOM 199 O LYS A 12 -16.386 -11.035 -4.332 1.00 0.00 O ATOM 200 CB LYS A 12 -15.289 -13.196 -6.490 1.00 0.00 C ATOM 201 CG LYS A 12 -14.335 -13.180 -7.689 1.00 0.00 C ATOM 202 CD LYS A 12 -14.778 -14.202 -8.746 1.00 0.00 C ATOM 203 CE LYS A 12 -16.050 -13.721 -9.454 1.00 0.00 C ATOM 204 NZ LYS A 12 -16.371 -14.649 -10.574 1.00 0.00 N1+ ATOM 0 H LYS A 12 -13.411 -13.983 -5.114 1.00 0.00 H new ATOM 0 HA LYS A 12 -14.341 -11.410 -5.770 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -15.449 -14.220 -6.152 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -16.262 -12.800 -6.780 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.310 -12.182 -8.128 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.322 -13.408 -7.358 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -13.981 -14.349 -9.475 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -14.960 -15.167 -8.274 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -16.880 -13.683 -8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.908 -12.709 -9.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.635 -14.099 -11.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -15.539 -15.234 -10.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -17.164 -15.263 -10.300 1.00 0.00 H new ATOM 218 N GLU A 13 -15.969 -13.031 -3.410 1.00 0.00 N ATOM 219 CA GLU A 13 -16.983 -12.845 -2.383 1.00 0.00 C ATOM 220 C GLU A 13 -16.637 -11.696 -1.438 1.00 0.00 C ATOM 221 O GLU A 13 -17.491 -10.866 -1.141 1.00 0.00 O ATOM 222 CB GLU A 13 -17.153 -14.154 -1.621 1.00 0.00 C ATOM 223 CG GLU A 13 -17.960 -15.148 -2.482 1.00 0.00 C ATOM 224 CD GLU A 13 -19.457 -15.052 -2.175 1.00 0.00 C ATOM 225 OE1 GLU A 13 -19.845 -14.129 -1.478 1.00 0.00 O ATOM 226 OE2 GLU A 13 -20.191 -15.904 -2.646 1.00 0.00 O1- ATOM 0 H GLU A 13 -15.465 -13.917 -3.367 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.924 -12.573 -2.862 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -16.178 -14.575 -1.378 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -17.667 -13.974 -0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -17.788 -14.942 -3.538 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -17.611 -16.163 -2.294 1.00 0.00 H new ATOM 233 N VAL A 14 -15.388 -11.625 -0.993 1.00 0.00 N ATOM 234 CA VAL A 14 -14.983 -10.534 -0.112 1.00 0.00 C ATOM 235 C VAL A 14 -15.103 -9.214 -0.848 1.00 0.00 C ATOM 236 O VAL A 14 -15.631 -8.223 -0.328 1.00 0.00 O ATOM 237 CB VAL A 14 -13.533 -10.731 0.348 1.00 0.00 C ATOM 238 CG1 VAL A 14 -13.030 -9.471 1.061 1.00 0.00 C ATOM 239 CG2 VAL A 14 -13.479 -11.896 1.327 1.00 0.00 C ATOM 0 H VAL A 14 -14.652 -12.293 -1.221 1.00 0.00 H new ATOM 0 HA VAL A 14 -15.635 -10.528 0.762 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.907 -10.931 -0.522 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.000 -9.622 1.383 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.076 -8.623 0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -13.656 -9.270 1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.452 -12.044 1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -14.111 -11.678 2.187 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.835 -12.801 0.835 1.00 0.00 H new ATOM 249 N THR A 15 -14.592 -9.212 -2.065 1.00 0.00 N ATOM 250 CA THR A 15 -14.612 -8.026 -2.878 1.00 0.00 C ATOM 251 C THR A 15 -16.050 -7.628 -3.184 1.00 0.00 C ATOM 252 O THR A 15 -16.370 -6.450 -3.207 1.00 0.00 O ATOM 253 CB THR A 15 -13.851 -8.275 -4.183 1.00 0.00 C ATOM 254 OG1 THR A 15 -12.532 -8.709 -3.882 1.00 0.00 O ATOM 255 CG2 THR A 15 -13.767 -6.977 -4.989 1.00 0.00 C ATOM 0 H THR A 15 -14.159 -10.023 -2.506 1.00 0.00 H new ATOM 0 HA THR A 15 -14.128 -7.215 -2.333 1.00 0.00 H new ATOM 0 HB THR A 15 -14.375 -9.035 -4.762 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.559 -9.630 -3.547 1.00 0.00 H new ATOM 0 HG21 THR A 15 -13.225 -7.159 -5.917 1.00 0.00 H new ATOM 0 HG22 THR A 15 -14.773 -6.626 -5.220 1.00 0.00 H new ATOM 0 HG23 THR A 15 -13.244 -6.220 -4.405 1.00 0.00 H new ATOM 263 N ASP A 16 -16.909 -8.617 -3.431 1.00 0.00 N ATOM 264 CA ASP A 16 -18.306 -8.343 -3.745 1.00 0.00 C ATOM 265 C ASP A 16 -18.992 -7.621 -2.588 1.00 0.00 C ATOM 266 O ASP A 16 -19.796 -6.714 -2.802 1.00 0.00 O ATOM 267 CB ASP A 16 -19.052 -9.640 -4.055 1.00 0.00 C ATOM 268 CG ASP A 16 -18.604 -10.194 -5.404 1.00 0.00 C ATOM 269 OD1 ASP A 16 -17.954 -9.467 -6.136 1.00 0.00 O ATOM 270 OD2 ASP A 16 -18.919 -11.339 -5.686 1.00 0.00 O1- ATOM 0 H ASP A 16 -16.662 -9.607 -3.419 1.00 0.00 H new ATOM 0 HA ASP A 16 -18.330 -7.699 -4.624 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -18.863 -10.373 -3.271 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -20.126 -9.456 -4.067 1.00 0.00 H new ATOM 275 N GLU A 17 -18.664 -8.018 -1.362 1.00 0.00 N ATOM 276 CA GLU A 17 -19.244 -7.392 -0.190 1.00 0.00 C ATOM 277 C GLU A 17 -18.877 -5.926 -0.193 1.00 0.00 C ATOM 278 O GLU A 17 -19.699 -5.062 0.108 1.00 0.00 O ATOM 279 CB GLU A 17 -18.692 -8.066 1.063 1.00 0.00 C ATOM 280 CG GLU A 17 -19.233 -9.494 1.141 1.00 0.00 C ATOM 281 CD GLU A 17 -20.689 -9.484 1.597 1.00 0.00 C ATOM 282 OE1 GLU A 17 -21.168 -8.424 1.965 1.00 0.00 O ATOM 283 OE2 GLU A 17 -21.303 -10.537 1.571 1.00 0.00 O1- ATOM 0 H GLU A 17 -18.002 -8.767 -1.160 1.00 0.00 H new ATOM 0 HA GLU A 17 -20.329 -7.496 -0.202 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.602 -8.077 1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -18.982 -7.505 1.951 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -19.153 -9.974 0.166 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -18.631 -10.081 1.835 1.00 0.00 H new ATOM 290 N PHE A 18 -17.640 -5.649 -0.572 1.00 0.00 N ATOM 291 CA PHE A 18 -17.191 -4.274 -0.654 1.00 0.00 C ATOM 292 C PHE A 18 -17.857 -3.617 -1.858 1.00 0.00 C ATOM 293 O PHE A 18 -18.307 -2.473 -1.798 1.00 0.00 O ATOM 294 CB PHE A 18 -15.678 -4.221 -0.834 1.00 0.00 C ATOM 295 CG PHE A 18 -14.933 -5.063 0.167 1.00 0.00 C ATOM 296 CD1 PHE A 18 -15.527 -5.552 1.348 1.00 0.00 C ATOM 297 CD2 PHE A 18 -13.598 -5.355 -0.113 1.00 0.00 C ATOM 298 CE1 PHE A 18 -14.771 -6.322 2.226 1.00 0.00 C ATOM 299 CE2 PHE A 18 -12.854 -6.121 0.767 1.00 0.00 C ATOM 300 CZ PHE A 18 -13.438 -6.601 1.933 1.00 0.00 C ATOM 0 H PHE A 18 -16.941 -6.347 -0.824 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.456 -3.752 0.265 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.426 -4.556 -1.840 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.344 -3.187 -0.749 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.561 -5.331 1.569 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -13.144 -4.982 -1.019 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.217 -6.703 3.133 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -11.821 -6.346 0.548 1.00 0.00 H new ATOM 0 HZ PHE A 18 -12.853 -7.196 2.619 1.00 0.00 H new ATOM 310 N THR A 19 -17.916 -4.375 -2.952 1.00 0.00 N ATOM 311 CA THR A 19 -18.525 -3.914 -4.190 1.00 0.00 C ATOM 312 C THR A 19 -20.024 -4.098 -4.123 1.00 0.00 C ATOM 313 O THR A 19 -20.720 -3.980 -5.132 1.00 0.00 O ATOM 314 CB THR A 19 -17.956 -4.668 -5.405 1.00 0.00 C ATOM 315 OG1 THR A 19 -16.581 -4.940 -5.193 1.00 0.00 O ATOM 316 CG2 THR A 19 -18.116 -3.812 -6.669 1.00 0.00 C ATOM 0 H THR A 19 -17.543 -5.323 -3.001 1.00 0.00 H new ATOM 0 HA THR A 19 -18.293 -2.856 -4.311 1.00 0.00 H new ATOM 0 HB THR A 19 -18.499 -5.605 -5.531 1.00 0.00 H new ATOM 0 HG1 THR A 19 -16.488 -5.732 -4.623 1.00 0.00 H new ATOM 0 HG21 THR A 19 -17.712 -4.350 -7.526 1.00 0.00 H new ATOM 0 HG22 THR A 19 -19.173 -3.604 -6.836 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.577 -2.873 -6.543 1.00 0.00 H new ATOM 324 N THR A 20 -20.527 -4.381 -2.923 1.00 0.00 N ATOM 325 CA THR A 20 -21.961 -4.561 -2.732 1.00 0.00 C ATOM 326 C THR A 20 -22.712 -3.455 -3.467 1.00 0.00 C ATOM 327 O THR A 20 -23.910 -3.559 -3.730 1.00 0.00 O ATOM 328 CB THR A 20 -22.308 -4.544 -1.242 1.00 0.00 C ATOM 329 OG1 THR A 20 -23.719 -4.630 -1.086 1.00 0.00 O ATOM 330 CG2 THR A 20 -21.799 -3.247 -0.609 1.00 0.00 C ATOM 0 H THR A 20 -19.968 -4.489 -2.077 1.00 0.00 H new ATOM 0 HA THR A 20 -22.259 -5.528 -3.138 1.00 0.00 H new ATOM 0 HB THR A 20 -21.835 -5.393 -0.749 1.00 0.00 H new ATOM 0 HG1 THR A 20 -23.944 -4.621 -0.132 1.00 0.00 H new ATOM 0 HG21 THR A 20 -22.048 -3.238 0.452 1.00 0.00 H new ATOM 0 HG22 THR A 20 -20.717 -3.184 -0.729 1.00 0.00 H new ATOM 0 HG23 THR A 20 -22.269 -2.394 -1.099 1.00 0.00 H new ATOM 338 N LYS A 21 -21.964 -2.420 -3.846 1.00 0.00 N ATOM 339 CA LYS A 21 -22.501 -1.312 -4.607 1.00 0.00 C ATOM 340 C LYS A 21 -22.861 -1.786 -6.010 1.00 0.00 C ATOM 341 O LYS A 21 -22.901 -0.989 -6.947 1.00 0.00 O ATOM 342 CB LYS A 21 -21.462 -0.199 -4.710 1.00 0.00 C ATOM 343 CG LYS A 21 -21.298 0.463 -3.346 1.00 0.00 C ATOM 344 CD LYS A 21 -20.264 1.583 -3.444 1.00 0.00 C ATOM 345 CE LYS A 21 -20.113 2.256 -2.081 1.00 0.00 C ATOM 346 NZ LYS A 21 -19.097 3.343 -2.172 1.00 0.00 N1+ ATOM 0 H LYS A 21 -20.971 -2.333 -3.631 1.00 0.00 H new ATOM 0 HA LYS A 21 -23.390 -0.933 -4.103 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -20.508 -0.606 -5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -21.774 0.538 -5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -22.253 0.864 -3.008 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -20.982 -0.274 -2.608 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -19.305 1.180 -3.771 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.574 2.314 -4.191 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -21.070 2.665 -1.758 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -19.811 1.523 -1.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.994 3.801 -1.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -18.183 2.941 -2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -19.404 4.047 -2.873 1.00 0.00 H new ATOM 360 N ASP A 22 -23.118 -3.089 -6.149 1.00 0.00 N ATOM 361 CA ASP A 22 -23.477 -3.651 -7.441 1.00 0.00 C ATOM 362 C ASP A 22 -24.876 -3.192 -7.806 1.00 0.00 C ATOM 363 O ASP A 22 -25.711 -3.966 -8.271 1.00 0.00 O ATOM 364 CB ASP A 22 -23.434 -5.179 -7.381 1.00 0.00 C ATOM 365 CG ASP A 22 -23.566 -5.758 -8.786 1.00 0.00 C ATOM 366 OD1 ASP A 22 -23.912 -5.009 -9.685 1.00 0.00 O ATOM 367 OD2 ASP A 22 -23.319 -6.942 -8.942 1.00 0.00 O1- ATOM 0 H ASP A 22 -23.083 -3.765 -5.386 1.00 0.00 H new ATOM 0 HA ASP A 22 -22.767 -3.311 -8.195 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -22.498 -5.508 -6.929 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -24.241 -5.550 -6.748 1.00 0.00 H new ATOM 372 N GLN A 23 -25.109 -1.910 -7.572 1.00 0.00 N ATOM 373 CA GLN A 23 -26.391 -1.293 -7.849 1.00 0.00 C ATOM 374 C GLN A 23 -26.774 -1.472 -9.309 1.00 0.00 C ATOM 375 O GLN A 23 -27.951 -1.410 -9.661 1.00 0.00 O ATOM 376 CB GLN A 23 -26.311 0.200 -7.492 1.00 0.00 C ATOM 377 CG GLN A 23 -25.147 0.890 -8.267 1.00 0.00 C ATOM 378 CD GLN A 23 -24.212 1.640 -7.310 1.00 0.00 C ATOM 379 OE1 GLN A 23 -24.666 2.463 -6.516 1.00 0.00 O ATOM 380 NE2 GLN A 23 -22.920 1.399 -7.340 1.00 0.00 N ATOM 0 H GLN A 23 -24.414 -1.271 -7.185 1.00 0.00 H new ATOM 0 HA GLN A 23 -27.161 -1.774 -7.245 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -27.255 0.688 -7.734 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -26.158 0.315 -6.419 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -24.581 0.141 -8.820 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -25.556 1.586 -9.000 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -22.544 0.717 -7.998 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -22.294 1.894 -6.705 1.00 0.00 H new ATOM 389 N ASP A 24 -25.777 -1.703 -10.148 1.00 0.00 N ATOM 390 CA ASP A 24 -26.012 -1.900 -11.566 1.00 0.00 C ATOM 391 C ASP A 24 -24.728 -2.363 -12.242 1.00 0.00 C ATOM 392 O ASP A 24 -24.711 -2.631 -13.442 1.00 0.00 O ATOM 393 CB ASP A 24 -26.497 -0.582 -12.197 1.00 0.00 C ATOM 394 CG ASP A 24 -28.020 -0.437 -12.095 1.00 0.00 C ATOM 395 OD1 ASP A 24 -28.688 -1.435 -11.884 1.00 0.00 O ATOM 396 OD2 ASP A 24 -28.493 0.678 -12.232 1.00 0.00 O1- ATOM 0 H ASP A 24 -24.797 -1.758 -9.870 1.00 0.00 H new ATOM 0 HA ASP A 24 -26.778 -2.663 -11.703 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -26.016 0.260 -11.699 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -26.196 -0.546 -13.244 1.00 0.00 H new ATOM 401 N LEU A 25 -23.662 -2.448 -11.462 1.00 0.00 N ATOM 402 CA LEU A 25 -22.370 -2.870 -12.004 1.00 0.00 C ATOM 403 C LEU A 25 -22.445 -4.272 -12.573 1.00 0.00 C ATOM 404 O LEU A 25 -23.400 -5.015 -12.348 1.00 0.00 O ATOM 405 CB LEU A 25 -21.269 -2.811 -10.942 1.00 0.00 C ATOM 406 CG LEU A 25 -20.685 -1.399 -10.837 1.00 0.00 C ATOM 407 CD1 LEU A 25 -21.792 -0.407 -10.475 1.00 0.00 C ATOM 408 CD2 LEU A 25 -19.604 -1.374 -9.749 1.00 0.00 C ATOM 0 H LEU A 25 -23.659 -2.235 -10.465 1.00 0.00 H new ATOM 0 HA LEU A 25 -22.122 -2.174 -12.805 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -21.673 -3.114 -9.976 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -20.478 -3.518 -11.193 1.00 0.00 H new ATOM 0 HG LEU A 25 -20.248 -1.118 -11.795 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -21.372 0.596 -10.401 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -22.561 -0.422 -11.247 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -22.233 -0.687 -9.518 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -19.187 -0.370 -9.673 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -20.044 -1.658 -8.793 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -18.812 -2.077 -10.007 1.00 0.00 H new ATOM 420 N ARG A 26 -21.410 -4.602 -13.325 1.00 0.00 N ATOM 421 CA ARG A 26 -21.301 -5.904 -13.970 1.00 0.00 C ATOM 422 C ARG A 26 -19.872 -6.426 -13.894 1.00 0.00 C ATOM 423 O ARG A 26 -18.917 -5.702 -14.155 1.00 0.00 O ATOM 424 CB ARG A 26 -21.729 -5.783 -15.426 1.00 0.00 C ATOM 425 CG ARG A 26 -21.757 -7.169 -16.064 1.00 0.00 C ATOM 426 CD ARG A 26 -22.176 -7.047 -17.523 1.00 0.00 C ATOM 427 NE ARG A 26 -23.521 -6.488 -17.619 1.00 0.00 N ATOM 428 CZ ARG A 26 -24.597 -7.256 -17.479 1.00 0.00 C ATOM 429 NH1 ARG A 26 -24.462 -8.534 -17.251 1.00 0.00 N ATOM 430 NH2 ARG A 26 -25.788 -6.732 -17.570 1.00 0.00 N1+ ATOM 0 H ARG A 26 -20.623 -3.980 -13.507 1.00 0.00 H new ATOM 0 HA ARG A 26 -21.952 -6.608 -13.452 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -22.714 -5.322 -15.489 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -21.039 -5.136 -15.967 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -20.773 -7.633 -15.995 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -22.453 -7.814 -15.527 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -21.471 -6.411 -18.059 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -22.147 -8.027 -18.000 1.00 0.00 H new ATOM 0 HE ARG A 26 -23.637 -5.490 -17.797 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -23.531 -8.944 -17.180 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -25.288 -9.123 -17.144 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -25.893 -5.733 -17.749 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -26.614 -7.321 -17.463 1.00 0.00 H new ATOM 444 N TRP A 27 -19.737 -7.696 -13.535 1.00 0.00 N ATOM 445 CA TRP A 27 -18.418 -8.326 -13.429 1.00 0.00 C ATOM 446 C TRP A 27 -18.118 -9.178 -14.655 1.00 0.00 C ATOM 447 O TRP A 27 -18.741 -10.219 -14.865 1.00 0.00 O ATOM 448 CB TRP A 27 -18.356 -9.235 -12.195 1.00 0.00 C ATOM 449 CG TRP A 27 -18.134 -8.441 -10.956 1.00 0.00 C ATOM 450 CD1 TRP A 27 -18.924 -7.444 -10.507 1.00 0.00 C ATOM 451 CD2 TRP A 27 -17.064 -8.583 -9.994 1.00 0.00 C ATOM 452 NE1 TRP A 27 -18.415 -6.983 -9.304 1.00 0.00 N ATOM 453 CE2 TRP A 27 -17.263 -7.656 -8.950 1.00 0.00 C ATOM 454 CE3 TRP A 27 -15.953 -9.433 -9.932 1.00 0.00 C ATOM 455 CZ2 TRP A 27 -16.385 -7.576 -7.871 1.00 0.00 C ATOM 456 CZ3 TRP A 27 -15.063 -9.355 -8.853 1.00 0.00 C ATOM 457 CH2 TRP A 27 -15.280 -8.431 -7.825 1.00 0.00 C ATOM 0 H TRP A 27 -20.519 -8.312 -13.312 1.00 0.00 H new ATOM 0 HA TRP A 27 -17.683 -7.525 -13.348 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -19.285 -9.799 -12.108 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -17.552 -9.961 -12.314 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -19.807 -7.068 -11.003 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -18.839 -6.239 -8.749 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -15.781 -10.152 -10.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -16.556 -6.862 -7.079 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -14.206 -10.011 -8.814 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -14.592 -8.378 -6.994 1.00 0.00 H new ATOM 468 N GLN A 28 -17.137 -8.758 -15.441 1.00 0.00 N ATOM 469 CA GLN A 28 -16.738 -9.528 -16.618 1.00 0.00 C ATOM 470 C GLN A 28 -15.638 -10.507 -16.214 1.00 0.00 C ATOM 471 O GLN A 28 -15.140 -10.455 -15.090 1.00 0.00 O ATOM 472 CB GLN A 28 -16.232 -8.589 -17.726 1.00 0.00 C ATOM 473 CG GLN A 28 -16.963 -7.250 -17.612 1.00 0.00 C ATOM 474 CD GLN A 28 -16.312 -6.409 -16.560 1.00 0.00 C ATOM 475 OE1 GLN A 28 -15.182 -5.992 -16.745 1.00 0.00 O ATOM 476 NE2 GLN A 28 -16.954 -6.127 -15.474 1.00 0.00 N ATOM 0 H GLN A 28 -16.606 -7.900 -15.291 1.00 0.00 H new ATOM 0 HA GLN A 28 -17.597 -10.077 -17.004 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -15.156 -8.440 -17.632 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.408 -9.033 -18.706 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -16.943 -6.731 -18.570 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -18.011 -7.417 -17.361 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -17.899 -6.483 -15.333 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -16.515 -5.548 -14.758 1.00 0.00 H new ATOM 485 N SER A 29 -15.258 -11.388 -17.122 1.00 0.00 N ATOM 486 CA SER A 29 -14.212 -12.356 -16.825 1.00 0.00 C ATOM 487 C SER A 29 -12.903 -11.637 -16.513 1.00 0.00 C ATOM 488 O SER A 29 -12.059 -12.155 -15.784 1.00 0.00 O ATOM 489 CB SER A 29 -14.013 -13.298 -18.012 1.00 0.00 C ATOM 490 OG SER A 29 -15.186 -14.083 -18.189 1.00 0.00 O ATOM 0 H SER A 29 -15.651 -11.455 -18.061 1.00 0.00 H new ATOM 0 HA SER A 29 -14.514 -12.939 -15.955 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.805 -12.725 -18.915 1.00 0.00 H new ATOM 0 HB3 SER A 29 -13.152 -13.943 -17.839 1.00 0.00 H new ATOM 0 HG SER A 29 -15.063 -14.687 -18.951 1.00 0.00 H new ATOM 496 N MET A 30 -12.737 -10.441 -17.073 1.00 0.00 N ATOM 497 CA MET A 30 -11.519 -9.668 -16.842 1.00 0.00 C ATOM 498 C MET A 30 -11.433 -9.274 -15.373 1.00 0.00 C ATOM 499 O MET A 30 -10.373 -9.317 -14.764 1.00 0.00 O ATOM 500 CB MET A 30 -11.507 -8.401 -17.706 1.00 0.00 C ATOM 501 CG MET A 30 -11.532 -8.783 -19.184 1.00 0.00 C ATOM 502 SD MET A 30 -10.013 -9.670 -19.617 1.00 0.00 S ATOM 503 CE MET A 30 -10.439 -10.021 -21.340 1.00 0.00 C ATOM 0 H MET A 30 -13.420 -9.991 -17.682 1.00 0.00 H new ATOM 0 HA MET A 30 -10.663 -10.286 -17.112 1.00 0.00 H new ATOM 0 HB2 MET A 30 -12.369 -7.779 -17.467 1.00 0.00 H new ATOM 0 HB3 MET A 30 -10.617 -7.810 -17.489 1.00 0.00 H new ATOM 0 HG2 MET A 30 -12.400 -9.408 -19.392 1.00 0.00 H new ATOM 0 HG3 MET A 30 -11.629 -7.888 -19.798 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.626 -10.574 -21.811 1.00 0.00 H new ATOM 0 HE2 MET A 30 -11.351 -10.617 -21.375 1.00 0.00 H new ATOM 0 HE3 MET A 30 -10.597 -9.084 -21.874 1.00 0.00 H new ATOM 513 N ALA A 31 -12.570 -8.911 -14.801 1.00 0.00 N ATOM 514 CA ALA A 31 -12.610 -8.520 -13.399 1.00 0.00 C ATOM 515 C ALA A 31 -11.897 -9.582 -12.561 1.00 0.00 C ATOM 516 O ALA A 31 -11.144 -9.272 -11.636 1.00 0.00 O ATOM 517 CB ALA A 31 -14.067 -8.410 -12.959 1.00 0.00 C ATOM 0 H ALA A 31 -13.470 -8.879 -15.280 1.00 0.00 H new ATOM 0 HA ALA A 31 -12.113 -7.560 -13.263 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -14.109 -8.118 -11.910 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -14.575 -7.660 -13.565 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -14.559 -9.374 -13.087 1.00 0.00 H new ATOM 523 N ILE A 32 -12.145 -10.834 -12.918 1.00 0.00 N ATOM 524 CA ILE A 32 -11.547 -11.973 -12.242 1.00 0.00 C ATOM 525 C ILE A 32 -10.057 -12.050 -12.556 1.00 0.00 C ATOM 526 O ILE A 32 -9.240 -12.348 -11.690 1.00 0.00 O ATOM 527 CB ILE A 32 -12.250 -13.237 -12.704 1.00 0.00 C ATOM 528 CG1 ILE A 32 -13.742 -13.082 -12.397 1.00 0.00 C ATOM 529 CG2 ILE A 32 -11.686 -14.449 -11.956 1.00 0.00 C ATOM 530 CD1 ILE A 32 -14.531 -14.296 -12.895 1.00 0.00 C ATOM 0 H ILE A 32 -12.767 -11.087 -13.685 1.00 0.00 H new ATOM 0 HA ILE A 32 -11.661 -11.863 -11.164 1.00 0.00 H new ATOM 0 HB ILE A 32 -12.096 -13.390 -13.772 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -13.886 -12.965 -11.323 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -14.123 -12.177 -12.870 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -12.194 -15.353 -12.292 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -10.618 -14.537 -12.158 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -11.843 -14.321 -10.885 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -15.588 -14.162 -12.665 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -14.404 -14.395 -13.973 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.164 -15.196 -12.402 1.00 0.00 H new ATOM 542 N MET A 33 -9.712 -11.761 -13.801 1.00 0.00 N ATOM 543 CA MET A 33 -8.315 -11.780 -14.212 1.00 0.00 C ATOM 544 C MET A 33 -7.575 -10.762 -13.365 1.00 0.00 C ATOM 545 O MET A 33 -6.437 -10.975 -12.949 1.00 0.00 O ATOM 546 CB MET A 33 -8.190 -11.416 -15.695 1.00 0.00 C ATOM 547 CG MET A 33 -8.790 -12.529 -16.561 1.00 0.00 C ATOM 548 SD MET A 33 -7.820 -14.050 -16.373 1.00 0.00 S ATOM 549 CE MET A 33 -6.330 -13.509 -17.250 1.00 0.00 C ATOM 0 H MET A 33 -10.372 -11.513 -14.538 1.00 0.00 H new ATOM 0 HA MET A 33 -7.894 -12.776 -14.074 1.00 0.00 H new ATOM 0 HB2 MET A 33 -8.703 -10.475 -15.891 1.00 0.00 H new ATOM 0 HB3 MET A 33 -7.142 -11.267 -15.954 1.00 0.00 H new ATOM 0 HG2 MET A 33 -9.825 -12.709 -16.271 1.00 0.00 H new ATOM 0 HG3 MET A 33 -8.801 -12.222 -17.607 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.819 -14.376 -17.668 1.00 0.00 H new ATOM 0 HE2 MET A 33 -6.608 -12.829 -18.055 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.665 -12.996 -16.555 1.00 0.00 H new ATOM 559 N ALA A 34 -8.260 -9.663 -13.096 1.00 0.00 N ATOM 560 CA ALA A 34 -7.711 -8.605 -12.274 1.00 0.00 C ATOM 561 C ALA A 34 -7.398 -9.153 -10.892 1.00 0.00 C ATOM 562 O ALA A 34 -6.387 -8.797 -10.297 1.00 0.00 O ATOM 563 CB ALA A 34 -8.718 -7.441 -12.185 1.00 0.00 C ATOM 0 H ALA A 34 -9.203 -9.483 -13.439 1.00 0.00 H new ATOM 0 HA ALA A 34 -6.790 -8.230 -12.720 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.302 -6.646 -11.566 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.917 -7.055 -13.185 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.648 -7.797 -11.742 1.00 0.00 H new ATOM 569 N LEU A 35 -8.261 -10.028 -10.387 1.00 0.00 N ATOM 570 CA LEU A 35 -8.018 -10.605 -9.078 1.00 0.00 C ATOM 571 C LEU A 35 -6.759 -11.455 -9.119 1.00 0.00 C ATOM 572 O LEU A 35 -5.967 -11.456 -8.176 1.00 0.00 O ATOM 573 CB LEU A 35 -9.200 -11.461 -8.623 1.00 0.00 C ATOM 574 CG LEU A 35 -10.422 -10.573 -8.321 1.00 0.00 C ATOM 575 CD1 LEU A 35 -11.627 -11.465 -7.993 1.00 0.00 C ATOM 576 CD2 LEU A 35 -10.134 -9.622 -7.135 1.00 0.00 C ATOM 0 H LEU A 35 -9.112 -10.344 -10.852 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.891 -9.790 -8.365 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.452 -12.186 -9.397 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.926 -12.028 -7.733 1.00 0.00 H new ATOM 0 HG LEU A 35 -10.639 -9.965 -9.199 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -12.494 -10.841 -7.779 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -11.845 -12.109 -8.845 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -11.398 -12.080 -7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -11.012 -9.006 -6.941 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -9.900 -10.209 -6.247 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -9.287 -8.981 -7.380 1.00 0.00 H new ATOM 588 N GLN A 36 -6.579 -12.175 -10.219 1.00 0.00 N ATOM 589 CA GLN A 36 -5.414 -13.020 -10.371 1.00 0.00 C ATOM 590 C GLN A 36 -4.169 -12.153 -10.413 1.00 0.00 C ATOM 591 O GLN A 36 -3.149 -12.472 -9.801 1.00 0.00 O ATOM 592 CB GLN A 36 -5.546 -13.815 -11.663 1.00 0.00 C ATOM 593 CG GLN A 36 -6.727 -14.766 -11.533 1.00 0.00 C ATOM 594 CD GLN A 36 -6.397 -15.872 -10.540 1.00 0.00 C ATOM 595 OE1 GLN A 36 -5.441 -16.622 -10.734 1.00 0.00 O ATOM 596 NE2 GLN A 36 -7.137 -16.015 -9.479 1.00 0.00 N ATOM 0 H GLN A 36 -7.222 -12.188 -11.010 1.00 0.00 H new ATOM 0 HA GLN A 36 -5.336 -13.710 -9.531 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -5.694 -13.142 -12.507 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -4.631 -14.374 -11.858 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -7.610 -14.220 -11.201 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.966 -15.198 -12.505 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.929 -15.391 -9.322 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -6.925 -16.751 -8.805 1.00 0.00 H new ATOM 605 N GLU A 37 -4.276 -11.036 -11.120 1.00 0.00 N ATOM 606 CA GLU A 37 -3.178 -10.095 -11.219 1.00 0.00 C ATOM 607 C GLU A 37 -2.925 -9.469 -9.859 1.00 0.00 C ATOM 608 O GLU A 37 -1.792 -9.189 -9.490 1.00 0.00 O ATOM 609 CB GLU A 37 -3.517 -8.997 -12.224 1.00 0.00 C ATOM 610 CG GLU A 37 -3.591 -9.592 -13.631 1.00 0.00 C ATOM 611 CD GLU A 37 -2.200 -10.019 -14.090 1.00 0.00 C ATOM 612 OE1 GLU A 37 -1.238 -9.557 -13.503 1.00 0.00 O ATOM 613 OE2 GLU A 37 -2.121 -10.801 -15.023 1.00 0.00 O1- ATOM 0 H GLU A 37 -5.115 -10.763 -11.632 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.286 -10.624 -11.554 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -4.469 -8.534 -11.964 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.761 -8.213 -12.190 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.264 -10.449 -13.637 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.002 -8.858 -14.324 1.00 0.00 H new ATOM 620 N ALA A 38 -4.004 -9.224 -9.133 1.00 0.00 N ATOM 621 CA ALA A 38 -3.903 -8.603 -7.820 1.00 0.00 C ATOM 622 C ALA A 38 -3.118 -9.465 -6.845 1.00 0.00 C ATOM 623 O ALA A 38 -2.252 -8.970 -6.125 1.00 0.00 O ATOM 624 CB ALA A 38 -5.307 -8.357 -7.262 1.00 0.00 C ATOM 0 H ALA A 38 -4.955 -9.444 -9.428 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.370 -7.659 -7.938 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.232 -7.892 -6.279 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -5.855 -7.697 -7.934 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.835 -9.306 -7.175 1.00 0.00 H new ATOM 630 N SER A 39 -3.430 -10.750 -6.809 1.00 0.00 N ATOM 631 CA SER A 39 -2.747 -11.651 -5.898 1.00 0.00 C ATOM 632 C SER A 39 -1.284 -11.847 -6.284 1.00 0.00 C ATOM 633 O SER A 39 -0.398 -11.812 -5.429 1.00 0.00 O ATOM 634 CB SER A 39 -3.457 -13.003 -5.864 1.00 0.00 C ATOM 635 OG SER A 39 -2.772 -13.872 -4.971 1.00 0.00 O ATOM 0 H SER A 39 -4.143 -11.188 -7.392 1.00 0.00 H new ATOM 0 HA SER A 39 -2.774 -11.197 -4.907 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.491 -12.876 -5.544 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.484 -13.438 -6.863 1.00 0.00 H new ATOM 0 HG SER A 39 -3.226 -14.740 -4.946 1.00 0.00 H new ATOM 641 N GLU A 40 -1.039 -12.075 -7.569 1.00 0.00 N ATOM 642 CA GLU A 40 0.321 -12.302 -8.036 1.00 0.00 C ATOM 643 C GLU A 40 1.134 -11.008 -8.001 1.00 0.00 C ATOM 644 O GLU A 40 2.336 -11.027 -7.754 1.00 0.00 O ATOM 645 CB GLU A 40 0.289 -12.884 -9.465 1.00 0.00 C ATOM 646 CG GLU A 40 0.156 -11.767 -10.517 1.00 0.00 C ATOM 647 CD GLU A 40 1.528 -11.186 -10.864 1.00 0.00 C ATOM 648 OE1 GLU A 40 2.501 -11.919 -10.795 1.00 0.00 O ATOM 649 OE2 GLU A 40 1.583 -10.013 -11.196 1.00 0.00 O1- ATOM 0 H GLU A 40 -1.754 -12.107 -8.296 1.00 0.00 H new ATOM 0 HA GLU A 40 0.805 -13.017 -7.370 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.200 -13.454 -9.649 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.546 -13.578 -9.560 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -0.315 -12.162 -11.417 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.493 -10.978 -10.137 1.00 0.00 H new ATOM 656 N ALA A 41 0.467 -9.891 -8.252 1.00 0.00 N ATOM 657 CA ALA A 41 1.137 -8.602 -8.254 1.00 0.00 C ATOM 658 C ALA A 41 1.586 -8.244 -6.855 1.00 0.00 C ATOM 659 O ALA A 41 2.684 -7.728 -6.648 1.00 0.00 O ATOM 660 CB ALA A 41 0.204 -7.515 -8.792 1.00 0.00 C ATOM 0 H ALA A 41 -0.532 -9.852 -8.456 1.00 0.00 H new ATOM 0 HA ALA A 41 2.010 -8.669 -8.903 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.722 -6.556 -8.787 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.092 -7.762 -9.812 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.683 -7.452 -8.162 1.00 0.00 H new ATOM 1214 N ALA A 75 -5.817 -7.775 5.143 1.00 0.00 N ATOM 1215 CA ALA A 75 -6.358 -6.458 5.426 1.00 0.00 C ATOM 1216 C ALA A 75 -5.812 -5.448 4.435 1.00 0.00 C ATOM 1217 O ALA A 75 -6.485 -4.499 4.037 1.00 0.00 O ATOM 1218 CB ALA A 75 -6.024 -6.020 6.850 1.00 0.00 C ATOM 0 HA ALA A 75 -7.443 -6.510 5.330 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.442 -5.030 7.034 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.450 -6.731 7.559 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.942 -5.986 6.976 1.00 0.00 H new ATOM 1224 N VAL A 76 -4.576 -5.666 4.044 1.00 0.00 N ATOM 1225 CA VAL A 76 -3.916 -4.809 3.100 1.00 0.00 C ATOM 1226 C VAL A 76 -4.544 -5.000 1.732 1.00 0.00 C ATOM 1227 O VAL A 76 -4.765 -4.036 0.999 1.00 0.00 O ATOM 1228 CB VAL A 76 -2.424 -5.134 3.109 1.00 0.00 C ATOM 1229 CG1 VAL A 76 -1.732 -4.456 1.938 1.00 0.00 C ATOM 1230 CG2 VAL A 76 -1.808 -4.626 4.431 1.00 0.00 C ATOM 0 H VAL A 76 -4.005 -6.444 4.375 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.032 -3.759 3.367 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.290 -6.212 3.022 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.669 -4.695 1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.168 -4.809 1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.862 -3.376 2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.742 -4.854 4.447 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.950 -3.548 4.508 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.296 -5.117 5.272 1.00 0.00 H new ATOM 1240 N LEU A 77 -4.874 -6.247 1.410 1.00 0.00 N ATOM 1241 CA LEU A 77 -5.527 -6.523 0.137 1.00 0.00 C ATOM 1242 C LEU A 77 -6.917 -5.931 0.154 1.00 0.00 C ATOM 1243 O LEU A 77 -7.387 -5.385 -0.833 1.00 0.00 O ATOM 1244 CB LEU A 77 -5.608 -8.014 -0.142 1.00 0.00 C ATOM 1245 CG LEU A 77 -4.213 -8.551 -0.496 1.00 0.00 C ATOM 1246 CD1 LEU A 77 -4.280 -10.075 -0.580 1.00 0.00 C ATOM 1247 CD2 LEU A 77 -3.738 -7.985 -1.856 1.00 0.00 C ATOM 0 H LEU A 77 -4.705 -7.064 1.997 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.933 -6.070 -0.657 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -5.999 -8.536 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -6.300 -8.203 -0.963 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.506 -8.242 0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.295 -10.469 -0.831 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.598 -10.479 0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.994 -10.366 -1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.748 -8.378 -2.088 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.438 -8.281 -2.638 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.693 -6.897 -1.802 1.00 0.00 H new ATOM 1259 N LYS A 78 -7.551 -6.029 1.306 1.00 0.00 N ATOM 1260 CA LYS A 78 -8.866 -5.487 1.495 1.00 0.00 C ATOM 1261 C LYS A 78 -8.838 -4.001 1.194 1.00 0.00 C ATOM 1262 O LYS A 78 -9.710 -3.481 0.509 1.00 0.00 O ATOM 1263 CB LYS A 78 -9.277 -5.763 2.934 1.00 0.00 C ATOM 1264 CG LYS A 78 -10.519 -4.985 3.285 1.00 0.00 C ATOM 1265 CD LYS A 78 -11.077 -5.493 4.613 1.00 0.00 C ATOM 1266 CE LYS A 78 -12.244 -4.609 5.024 1.00 0.00 C ATOM 1267 NZ LYS A 78 -12.821 -5.102 6.307 1.00 0.00 N1+ ATOM 0 H LYS A 78 -7.163 -6.487 2.131 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.591 -5.946 0.824 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -9.458 -6.829 3.069 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.466 -5.490 3.609 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -10.287 -3.922 3.358 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.265 -5.095 2.498 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.404 -6.528 4.514 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.302 -5.476 5.379 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.909 -3.578 5.137 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.007 -4.613 4.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -13.619 -4.495 6.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.156 -6.079 6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -12.092 -5.076 7.048 1.00 0.00 H new ATOM 1281 N SER A 79 -7.807 -3.333 1.676 1.00 0.00 N ATOM 1282 CA SER A 79 -7.655 -1.916 1.409 1.00 0.00 C ATOM 1283 C SER A 79 -7.531 -1.693 -0.091 1.00 0.00 C ATOM 1284 O SER A 79 -8.174 -0.807 -0.656 1.00 0.00 O ATOM 1285 CB SER A 79 -6.423 -1.387 2.134 1.00 0.00 C ATOM 1286 OG SER A 79 -6.179 -0.044 1.737 1.00 0.00 O ATOM 0 H SER A 79 -7.070 -3.744 2.249 1.00 0.00 H new ATOM 0 HA SER A 79 -8.530 -1.377 1.772 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.573 -1.437 3.212 1.00 0.00 H new ATOM 0 HB3 SER A 79 -5.558 -2.008 1.904 1.00 0.00 H new ATOM 0 HG SER A 79 -5.388 0.297 2.204 1.00 0.00 H new ATOM 1292 N PHE A 80 -6.718 -2.524 -0.736 1.00 0.00 N ATOM 1293 CA PHE A 80 -6.538 -2.435 -2.173 1.00 0.00 C ATOM 1294 C PHE A 80 -7.867 -2.672 -2.884 1.00 0.00 C ATOM 1295 O PHE A 80 -8.280 -1.875 -3.714 1.00 0.00 O ATOM 1296 CB PHE A 80 -5.493 -3.476 -2.618 1.00 0.00 C ATOM 1297 CG PHE A 80 -5.621 -3.738 -4.101 1.00 0.00 C ATOM 1298 CD1 PHE A 80 -5.277 -2.742 -5.014 1.00 0.00 C ATOM 1299 CD2 PHE A 80 -6.118 -4.969 -4.555 1.00 0.00 C ATOM 1300 CE1 PHE A 80 -5.432 -2.965 -6.383 1.00 0.00 C ATOM 1301 CE2 PHE A 80 -6.268 -5.198 -5.926 1.00 0.00 C ATOM 1302 CZ PHE A 80 -5.929 -4.194 -6.843 1.00 0.00 C ATOM 0 H PHE A 80 -6.177 -3.262 -0.285 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.184 -1.438 -2.436 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.490 -3.116 -2.389 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.633 -4.404 -2.063 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -4.890 -1.797 -4.662 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.384 -5.739 -3.846 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -5.169 -2.191 -7.089 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -6.645 -6.147 -6.278 1.00 0.00 H new ATOM 0 HZ PHE A 80 -6.050 -4.366 -7.902 1.00 0.00 H new ATOM 1312 N LEU A 81 -8.532 -3.771 -2.552 1.00 0.00 N ATOM 1313 CA LEU A 81 -9.804 -4.086 -3.185 1.00 0.00 C ATOM 1314 C LEU A 81 -10.818 -2.975 -2.925 1.00 0.00 C ATOM 1315 O LEU A 81 -11.487 -2.519 -3.839 1.00 0.00 O ATOM 1316 CB LEU A 81 -10.368 -5.389 -2.613 1.00 0.00 C ATOM 1317 CG LEU A 81 -9.522 -6.595 -3.052 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -10.006 -7.835 -2.289 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -9.649 -6.832 -4.573 1.00 0.00 C ATOM 0 H LEU A 81 -8.217 -4.450 -1.859 1.00 0.00 H new ATOM 0 HA LEU A 81 -9.630 -4.188 -4.256 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.390 -5.333 -1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.397 -5.521 -2.947 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.473 -6.399 -2.829 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.415 -8.700 -2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.891 -7.671 -1.218 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -11.056 -8.016 -2.517 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.041 -7.690 -4.859 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.692 -7.025 -4.825 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.304 -5.948 -5.109 1.00 0.00 H new ATOM 1331 N GLU A 82 -10.920 -2.540 -1.676 1.00 0.00 N ATOM 1332 CA GLU A 82 -11.862 -1.486 -1.314 1.00 0.00 C ATOM 1333 C GLU A 82 -11.580 -0.216 -2.097 1.00 0.00 C ATOM 1334 O GLU A 82 -12.481 0.384 -2.683 1.00 0.00 O ATOM 1335 CB GLU A 82 -11.712 -1.197 0.177 1.00 0.00 C ATOM 1336 CG GLU A 82 -12.275 -2.367 0.992 1.00 0.00 C ATOM 1337 CD GLU A 82 -13.792 -2.249 1.115 1.00 0.00 C ATOM 1338 OE1 GLU A 82 -14.343 -1.322 0.546 1.00 0.00 O ATOM 1339 OE2 GLU A 82 -14.377 -3.085 1.784 1.00 0.00 O1- ATOM 0 H GLU A 82 -10.365 -2.898 -0.899 1.00 0.00 H new ATOM 0 HA GLU A 82 -12.874 -1.817 -1.546 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -10.661 -1.043 0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -12.238 -0.277 0.433 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -12.015 -3.311 0.513 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.823 -2.378 1.984 1.00 0.00 H new ATOM 1346 N SER A 83 -10.321 0.172 -2.116 1.00 0.00 N ATOM 1347 CA SER A 83 -9.904 1.354 -2.839 1.00 0.00 C ATOM 1348 C SER A 83 -10.132 1.192 -4.331 1.00 0.00 C ATOM 1349 O SER A 83 -10.494 2.140 -5.024 1.00 0.00 O ATOM 1350 CB SER A 83 -8.428 1.606 -2.571 1.00 0.00 C ATOM 1351 OG SER A 83 -8.255 2.052 -1.234 1.00 0.00 O ATOM 0 H SER A 83 -9.566 -0.318 -1.636 1.00 0.00 H new ATOM 0 HA SER A 83 -10.498 2.201 -2.496 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.857 0.692 -2.737 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.044 2.352 -3.266 1.00 0.00 H new ATOM 0 HG SER A 83 -8.178 1.278 -0.638 1.00 0.00 H new ATOM 1357 N VAL A 84 -9.896 -0.010 -4.813 1.00 0.00 N ATOM 1358 CA VAL A 84 -10.053 -0.297 -6.223 1.00 0.00 C ATOM 1359 C VAL A 84 -11.481 -0.031 -6.657 1.00 0.00 C ATOM 1360 O VAL A 84 -11.719 0.542 -7.710 1.00 0.00 O ATOM 1361 CB VAL A 84 -9.679 -1.757 -6.513 1.00 0.00 C ATOM 1362 CG1 VAL A 84 -10.103 -2.132 -7.942 1.00 0.00 C ATOM 1363 CG2 VAL A 84 -8.149 -1.951 -6.357 1.00 0.00 C ATOM 0 H VAL A 84 -9.595 -0.804 -4.249 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.386 0.356 -6.787 1.00 0.00 H new ATOM 0 HB VAL A 84 -10.197 -2.402 -5.804 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.834 -3.170 -8.141 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -11.181 -2.010 -8.045 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -9.594 -1.483 -8.655 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -7.891 -2.990 -6.564 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -7.626 -1.300 -7.058 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -7.852 -1.700 -5.339 1.00 0.00 H new ATOM 1373 N ILE A 85 -12.419 -0.460 -5.836 1.00 0.00 N ATOM 1374 CA ILE A 85 -13.823 -0.273 -6.127 1.00 0.00 C ATOM 1375 C ILE A 85 -14.131 1.201 -6.167 1.00 0.00 C ATOM 1376 O ILE A 85 -14.832 1.679 -7.050 1.00 0.00 O ATOM 1377 CB ILE A 85 -14.642 -0.937 -5.041 1.00 0.00 C ATOM 1378 CG1 ILE A 85 -14.357 -2.434 -5.104 1.00 0.00 C ATOM 1379 CG2 ILE A 85 -16.143 -0.668 -5.261 1.00 0.00 C ATOM 1380 CD1 ILE A 85 -14.980 -3.152 -3.910 1.00 0.00 C ATOM 0 H ILE A 85 -12.231 -0.943 -4.958 1.00 0.00 H new ATOM 0 HA ILE A 85 -14.067 -0.717 -7.092 1.00 0.00 H new ATOM 0 HB ILE A 85 -14.375 -0.537 -4.063 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -14.755 -2.846 -6.031 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -13.280 -2.604 -5.116 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -16.719 -1.152 -4.472 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -16.327 0.406 -5.238 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -16.446 -1.068 -6.229 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -14.765 -4.219 -3.974 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -14.562 -2.752 -2.986 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -16.059 -2.998 -3.916 1.00 0.00 H new ATOM 1392 N ARG A 86 -13.594 1.920 -5.197 1.00 0.00 N ATOM 1393 CA ARG A 86 -13.810 3.338 -5.137 1.00 0.00 C ATOM 1394 C ARG A 86 -13.245 3.988 -6.389 1.00 0.00 C ATOM 1395 O ARG A 86 -13.833 4.914 -6.940 1.00 0.00 O ATOM 1396 CB ARG A 86 -13.132 3.891 -3.885 1.00 0.00 C ATOM 1397 CG ARG A 86 -13.890 3.392 -2.653 1.00 0.00 C ATOM 1398 CD ARG A 86 -13.319 4.049 -1.394 1.00 0.00 C ATOM 1399 NE ARG A 86 -14.020 3.564 -0.210 1.00 0.00 N ATOM 1400 CZ ARG A 86 -13.736 4.035 0.999 1.00 0.00 C ATOM 1401 NH1 ARG A 86 -12.816 4.949 1.144 1.00 0.00 N ATOM 1402 NH2 ARG A 86 -14.378 3.585 2.041 1.00 0.00 N1+ ATOM 0 H ARG A 86 -13.011 1.541 -4.450 1.00 0.00 H new ATOM 0 HA ARG A 86 -14.877 3.557 -5.086 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -12.092 3.568 -3.845 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -13.126 4.981 -3.909 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -14.951 3.625 -2.747 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.808 2.308 -2.578 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -12.255 3.829 -1.311 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.416 5.132 -1.465 1.00 0.00 H new ATOM 0 HE ARG A 86 -14.741 2.850 -0.313 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -12.315 5.302 0.329 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -12.598 5.311 2.073 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -15.098 2.871 1.927 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.160 3.946 2.970 1.00 0.00 H new ATOM 1416 N ASP A 87 -12.105 3.481 -6.836 1.00 0.00 N ATOM 1417 CA ASP A 87 -11.458 4.003 -8.028 1.00 0.00 C ATOM 1418 C ASP A 87 -12.125 3.507 -9.303 1.00 0.00 C ATOM 1419 O ASP A 87 -12.045 4.144 -10.348 1.00 0.00 O ATOM 1420 CB ASP A 87 -9.997 3.564 -8.029 1.00 0.00 C ATOM 1421 CG ASP A 87 -9.211 4.333 -6.972 1.00 0.00 C ATOM 1422 OD1 ASP A 87 -9.738 5.309 -6.464 1.00 0.00 O ATOM 1423 OD2 ASP A 87 -8.094 3.934 -6.686 1.00 0.00 O1- ATOM 0 H ASP A 87 -11.610 2.709 -6.390 1.00 0.00 H new ATOM 0 HA ASP A 87 -11.541 5.090 -8.008 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -9.932 2.494 -7.833 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -9.560 3.735 -9.013 1.00 0.00 H new ATOM 1428 N SER A 88 -12.750 2.356 -9.207 1.00 0.00 N ATOM 1429 CA SER A 88 -13.397 1.738 -10.364 1.00 0.00 C ATOM 1430 C SER A 88 -14.769 2.326 -10.572 1.00 0.00 C ATOM 1431 O SER A 88 -15.177 2.606 -11.692 1.00 0.00 O ATOM 1432 CB SER A 88 -13.526 0.229 -10.168 1.00 0.00 C ATOM 1433 OG SER A 88 -14.545 -0.032 -9.217 1.00 0.00 O ATOM 0 H SER A 88 -12.830 1.820 -8.343 1.00 0.00 H new ATOM 0 HA SER A 88 -12.778 1.935 -11.239 1.00 0.00 H new ATOM 0 HB2 SER A 88 -13.764 -0.254 -11.116 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.578 -0.188 -9.827 1.00 0.00 H new ATOM 0 HG SER A 88 -14.511 0.643 -8.507 1.00 0.00 H new ATOM 1439 N VAL A 89 -15.458 2.546 -9.476 1.00 0.00 N ATOM 1440 CA VAL A 89 -16.762 3.144 -9.529 1.00 0.00 C ATOM 1441 C VAL A 89 -16.572 4.556 -10.034 1.00 0.00 C ATOM 1442 O VAL A 89 -17.361 5.072 -10.809 1.00 0.00 O ATOM 1443 CB VAL A 89 -17.405 3.125 -8.135 1.00 0.00 C ATOM 1444 CG1 VAL A 89 -18.702 3.926 -8.158 1.00 0.00 C ATOM 1445 CG2 VAL A 89 -17.710 1.678 -7.730 1.00 0.00 C ATOM 0 H VAL A 89 -15.132 2.317 -8.537 1.00 0.00 H new ATOM 0 HA VAL A 89 -17.430 2.595 -10.193 1.00 0.00 H new ATOM 0 HB VAL A 89 -16.716 3.568 -7.416 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -19.157 3.911 -7.167 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -18.489 4.956 -8.444 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -19.390 3.484 -8.879 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -18.166 1.666 -6.740 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -18.396 1.235 -8.452 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -16.784 1.103 -7.710 1.00 0.00 H new ATOM 1455 N THR A 90 -15.484 5.158 -9.583 1.00 0.00 N ATOM 1456 CA THR A 90 -15.137 6.508 -9.968 1.00 0.00 C ATOM 1457 C THR A 90 -14.883 6.634 -11.471 1.00 0.00 C ATOM 1458 O THR A 90 -15.447 7.508 -12.124 1.00 0.00 O ATOM 1459 CB THR A 90 -13.893 6.928 -9.183 1.00 0.00 C ATOM 1460 OG1 THR A 90 -14.225 7.037 -7.806 1.00 0.00 O ATOM 1461 CG2 THR A 90 -13.363 8.269 -9.697 1.00 0.00 C ATOM 0 H THR A 90 -14.821 4.723 -8.942 1.00 0.00 H new ATOM 0 HA THR A 90 -15.977 7.163 -9.737 1.00 0.00 H new ATOM 0 HB THR A 90 -13.116 6.176 -9.317 1.00 0.00 H new ATOM 0 HG1 THR A 90 -14.225 6.146 -7.398 1.00 0.00 H new ATOM 0 HG21 THR A 90 -12.478 8.553 -9.128 1.00 0.00 H new ATOM 0 HG22 THR A 90 -13.102 8.177 -10.751 1.00 0.00 H new ATOM 0 HG23 THR A 90 -14.131 9.033 -9.579 1.00 0.00 H new ATOM 1469 N TYR A 91 -14.046 5.756 -12.012 1.00 0.00 N ATOM 1470 CA TYR A 91 -13.744 5.786 -13.439 1.00 0.00 C ATOM 1471 C TYR A 91 -14.936 5.298 -14.233 1.00 0.00 C ATOM 1472 O TYR A 91 -15.219 5.798 -15.320 1.00 0.00 O ATOM 1473 CB TYR A 91 -12.509 4.925 -13.765 1.00 0.00 C ATOM 1474 CG TYR A 91 -11.226 5.706 -13.514 1.00 0.00 C ATOM 1475 CD1 TYR A 91 -10.972 6.880 -14.242 1.00 0.00 C ATOM 1476 CD2 TYR A 91 -10.292 5.264 -12.562 1.00 0.00 C ATOM 1477 CE1 TYR A 91 -9.796 7.604 -14.017 1.00 0.00 C ATOM 1478 CE2 TYR A 91 -9.118 5.992 -12.341 1.00 0.00 C ATOM 1479 CZ TYR A 91 -8.870 7.161 -13.067 1.00 0.00 C ATOM 1480 OH TYR A 91 -7.710 7.879 -12.846 1.00 0.00 O ATOM 0 H TYR A 91 -13.568 5.021 -11.490 1.00 0.00 H new ATOM 0 HA TYR A 91 -13.523 6.817 -13.715 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -12.517 4.023 -13.153 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -12.548 4.605 -14.806 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.685 7.224 -14.976 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.481 4.361 -12.000 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -9.603 8.507 -14.578 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -8.402 5.650 -11.608 1.00 0.00 H new ATOM 0 HH TYR A 91 -7.177 7.435 -12.154 1.00 0.00 H new ATOM 1490 N THR A 92 -15.643 4.319 -13.691 1.00 0.00 N ATOM 1491 CA THR A 92 -16.803 3.810 -14.392 1.00 0.00 C ATOM 1492 C THR A 92 -17.858 4.889 -14.401 1.00 0.00 C ATOM 1493 O THR A 92 -18.402 5.229 -15.445 1.00 0.00 O ATOM 1494 CB THR A 92 -17.336 2.551 -13.711 1.00 0.00 C ATOM 1495 OG1 THR A 92 -17.533 2.825 -12.348 1.00 0.00 O ATOM 1496 CG2 THR A 92 -16.349 1.388 -13.877 1.00 0.00 C ATOM 0 H THR A 92 -15.441 3.874 -12.796 1.00 0.00 H new ATOM 0 HA THR A 92 -16.530 3.542 -15.413 1.00 0.00 H new ATOM 0 HB THR A 92 -18.280 2.261 -14.173 1.00 0.00 H new ATOM 0 HG1 THR A 92 -16.720 2.601 -11.848 1.00 0.00 H new ATOM 0 HG21 THR A 92 -16.747 0.500 -13.385 1.00 0.00 H new ATOM 0 HG22 THR A 92 -16.205 1.181 -14.938 1.00 0.00 H new ATOM 0 HG23 THR A 92 -15.393 1.655 -13.426 1.00 0.00 H new ATOM 1504 N GLU A 93 -18.095 5.481 -13.242 1.00 0.00 N ATOM 1505 CA GLU A 93 -19.043 6.570 -13.171 1.00 0.00 C ATOM 1506 C GLU A 93 -18.558 7.718 -14.040 1.00 0.00 C ATOM 1507 O GLU A 93 -19.358 8.419 -14.662 1.00 0.00 O ATOM 1508 CB GLU A 93 -19.224 7.044 -11.736 1.00 0.00 C ATOM 1509 CG GLU A 93 -20.065 6.028 -10.963 1.00 0.00 C ATOM 1510 CD GLU A 93 -20.140 6.425 -9.493 1.00 0.00 C ATOM 1511 OE1 GLU A 93 -19.388 7.301 -9.097 1.00 0.00 O ATOM 1512 OE2 GLU A 93 -20.944 5.843 -8.783 1.00 0.00 O1- ATOM 0 H GLU A 93 -17.653 5.230 -12.358 1.00 0.00 H new ATOM 0 HA GLU A 93 -20.008 6.216 -13.534 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -18.252 7.166 -11.257 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -19.711 8.019 -11.723 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -21.068 5.977 -11.386 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -19.628 5.034 -11.058 1.00 0.00 H new ATOM 1519 N HIS A 94 -17.242 7.898 -14.096 1.00 0.00 N ATOM 1520 CA HIS A 94 -16.683 8.961 -14.922 1.00 0.00 C ATOM 1521 C HIS A 94 -17.128 8.736 -16.347 1.00 0.00 C ATOM 1522 O HIS A 94 -17.445 9.671 -17.082 1.00 0.00 O ATOM 1523 CB HIS A 94 -15.156 8.964 -14.850 1.00 0.00 C ATOM 1524 CG HIS A 94 -14.624 10.193 -15.535 1.00 0.00 C ATOM 1525 ND1 HIS A 94 -14.453 10.258 -16.908 1.00 0.00 N ATOM 1526 CD2 HIS A 94 -14.220 11.412 -15.049 1.00 0.00 C ATOM 1527 CE1 HIS A 94 -13.965 11.476 -17.199 1.00 0.00 C ATOM 1528 NE2 HIS A 94 -13.804 12.221 -16.101 1.00 0.00 N ATOM 0 H HIS A 94 -16.557 7.336 -13.592 1.00 0.00 H new ATOM 0 HA HIS A 94 -17.036 9.926 -14.558 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -14.830 8.945 -13.810 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -14.757 8.068 -15.326 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -14.225 11.699 -14.008 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -13.731 11.812 -18.198 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -13.452 13.177 -16.046 1.00 0.00 H new ATOM 1536 N ALA A 95 -17.173 7.467 -16.706 1.00 0.00 N ATOM 1537 CA ALA A 95 -17.611 7.047 -18.031 1.00 0.00 C ATOM 1538 C ALA A 95 -19.037 6.528 -17.931 1.00 0.00 C ATOM 1539 O ALA A 95 -19.489 5.751 -18.761 1.00 0.00 O ATOM 1540 CB ALA A 95 -16.692 5.946 -18.562 1.00 0.00 C ATOM 0 H ALA A 95 -16.908 6.697 -16.092 1.00 0.00 H new ATOM 0 HA ALA A 95 -17.571 7.893 -18.718 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -17.027 5.639 -19.553 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -15.671 6.323 -18.625 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -16.722 5.090 -17.887 1.00 0.00 H new ATOM 1546 N LYS A 96 -19.733 6.980 -16.887 1.00 0.00 N ATOM 1547 CA LYS A 96 -21.115 6.579 -16.621 1.00 0.00 C ATOM 1548 C LYS A 96 -21.321 5.100 -16.925 1.00 0.00 C ATOM 1549 O LYS A 96 -22.401 4.674 -17.337 1.00 0.00 O ATOM 1550 CB LYS A 96 -22.145 7.444 -17.392 1.00 0.00 C ATOM 1551 CG LYS A 96 -21.623 7.899 -18.770 1.00 0.00 C ATOM 1552 CD LYS A 96 -21.691 6.741 -19.807 1.00 0.00 C ATOM 1553 CE LYS A 96 -22.939 6.881 -20.690 1.00 0.00 C ATOM 1554 NZ LYS A 96 -22.919 5.832 -21.747 1.00 0.00 N1+ ATOM 0 H LYS A 96 -19.355 7.634 -16.202 1.00 0.00 H new ATOM 0 HA LYS A 96 -21.290 6.747 -15.558 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -23.065 6.874 -17.526 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -22.397 8.321 -16.795 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -22.213 8.744 -19.125 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -20.594 8.246 -18.676 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -20.796 6.749 -20.429 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -21.711 5.782 -19.289 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -23.839 6.784 -20.084 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -22.966 7.871 -21.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -23.764 5.926 -22.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -22.066 5.945 -22.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -22.912 4.892 -21.303 1.00 0.00 H new ATOM 1568 N ARG A 97 -20.283 4.323 -16.695 1.00 0.00 N ATOM 1569 CA ARG A 97 -20.341 2.880 -16.917 1.00 0.00 C ATOM 1570 C ARG A 97 -20.687 2.166 -15.622 1.00 0.00 C ATOM 1571 O ARG A 97 -20.516 2.699 -14.528 1.00 0.00 O ATOM 1572 CB ARG A 97 -18.995 2.327 -17.441 1.00 0.00 C ATOM 1573 CG ARG A 97 -18.843 2.562 -18.953 1.00 0.00 C ATOM 1574 CD ARG A 97 -17.445 2.125 -19.411 1.00 0.00 C ATOM 1575 NE ARG A 97 -17.346 2.208 -20.864 1.00 0.00 N ATOM 1576 CZ ARG A 97 -16.194 1.982 -21.486 1.00 0.00 C ATOM 1577 NH1 ARG A 97 -15.126 1.680 -20.797 1.00 0.00 N ATOM 1578 NH2 ARG A 97 -16.127 2.063 -22.787 1.00 0.00 N1+ ATOM 0 H ARG A 97 -19.383 4.661 -16.353 1.00 0.00 H new ATOM 0 HA ARG A 97 -21.110 2.700 -17.668 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -18.172 2.807 -16.912 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -18.931 1.260 -17.229 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -19.605 2.002 -19.495 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -18.998 3.616 -19.184 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -16.688 2.759 -18.950 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -17.249 1.104 -19.083 1.00 0.00 H new ATOM 0 HE ARG A 97 -18.174 2.443 -21.411 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -15.176 1.617 -19.780 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -14.242 1.507 -21.276 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -16.959 2.300 -23.327 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -15.242 1.889 -23.264 1.00 0.00 H new ATOM 1592 N LYS A 98 -21.148 0.939 -15.777 1.00 0.00 N ATOM 1593 CA LYS A 98 -21.492 0.088 -14.651 1.00 0.00 C ATOM 1594 C LYS A 98 -20.942 -1.305 -14.961 1.00 0.00 C ATOM 1595 O LYS A 98 -21.661 -2.196 -15.410 1.00 0.00 O ATOM 1596 CB LYS A 98 -23.020 0.054 -14.410 1.00 0.00 C ATOM 1597 CG LYS A 98 -23.829 0.363 -15.696 1.00 0.00 C ATOM 1598 CD LYS A 98 -24.060 -0.912 -16.524 1.00 0.00 C ATOM 1599 CE LYS A 98 -25.057 -0.614 -17.644 1.00 0.00 C ATOM 1600 NZ LYS A 98 -24.446 0.337 -18.613 1.00 0.00 N1+ ATOM 0 H LYS A 98 -21.295 0.503 -16.687 1.00 0.00 H new ATOM 0 HA LYS A 98 -21.054 0.476 -13.731 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -23.304 -0.929 -14.033 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -23.279 0.779 -13.638 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -24.789 0.805 -15.428 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -23.295 1.099 -16.297 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -23.117 -1.262 -16.944 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -24.440 -1.710 -15.886 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -25.337 -1.537 -18.151 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -25.971 -0.189 -17.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -25.041 0.396 -19.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -24.372 1.278 -18.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -23.497 0.002 -18.877 1.00 0.00 H new ATOM 1614 N THR A 99 -19.635 -1.443 -14.766 1.00 0.00 N ATOM 1615 CA THR A 99 -18.929 -2.681 -15.074 1.00 0.00 C ATOM 1616 C THR A 99 -17.526 -2.652 -14.452 1.00 0.00 C ATOM 1617 O THR A 99 -16.889 -1.599 -14.416 1.00 0.00 O ATOM 1618 CB THR A 99 -18.836 -2.790 -16.599 1.00 0.00 C ATOM 1619 OG1 THR A 99 -20.144 -2.800 -17.151 1.00 0.00 O ATOM 1620 CG2 THR A 99 -18.112 -4.065 -16.989 1.00 0.00 C ATOM 0 H THR A 99 -19.038 -0.705 -14.392 1.00 0.00 H new ATOM 0 HA THR A 99 -19.459 -3.541 -14.665 1.00 0.00 H new ATOM 0 HB THR A 99 -18.280 -1.935 -16.984 1.00 0.00 H new ATOM 0 HG1 THR A 99 -20.782 -3.112 -16.475 1.00 0.00 H new ATOM 0 HG21 THR A 99 -18.052 -4.132 -18.075 1.00 0.00 H new ATOM 0 HG22 THR A 99 -17.106 -4.055 -16.570 1.00 0.00 H new ATOM 0 HG23 THR A 99 -18.657 -4.926 -16.602 1.00 0.00 H new ATOM 1628 N VAL A 100 -17.037 -3.801 -13.974 1.00 0.00 N ATOM 1629 CA VAL A 100 -15.694 -3.865 -13.372 1.00 0.00 C ATOM 1630 C VAL A 100 -14.736 -4.557 -14.327 1.00 0.00 C ATOM 1631 O VAL A 100 -14.821 -5.761 -14.520 1.00 0.00 O ATOM 1632 CB VAL A 100 -15.743 -4.666 -12.074 1.00 0.00 C ATOM 1633 CG1 VAL A 100 -14.362 -4.657 -11.417 1.00 0.00 C ATOM 1634 CG2 VAL A 100 -16.765 -4.033 -11.126 1.00 0.00 C ATOM 0 H VAL A 100 -17.539 -4.689 -13.990 1.00 0.00 H new ATOM 0 HA VAL A 100 -15.354 -2.849 -13.170 1.00 0.00 H new ATOM 0 HB VAL A 100 -16.034 -5.694 -12.290 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -14.396 -5.229 -10.490 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -13.634 -5.106 -12.093 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -14.069 -3.630 -11.199 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -16.802 -4.603 -10.198 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -16.473 -3.006 -10.909 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -17.749 -4.039 -11.595 1.00 0.00 H new ATOM 1644 N THR A 101 -13.816 -3.798 -14.918 1.00 0.00 N ATOM 1645 CA THR A 101 -12.858 -4.371 -15.866 1.00 0.00 C ATOM 1646 C THR A 101 -11.461 -4.406 -15.275 1.00 0.00 C ATOM 1647 O THR A 101 -11.093 -3.555 -14.466 1.00 0.00 O ATOM 1648 CB THR A 101 -12.825 -3.512 -17.135 1.00 0.00 C ATOM 1649 OG1 THR A 101 -12.345 -2.215 -16.810 1.00 0.00 O ATOM 1650 CG2 THR A 101 -14.233 -3.394 -17.728 1.00 0.00 C ATOM 0 H THR A 101 -13.712 -2.796 -14.761 1.00 0.00 H new ATOM 0 HA THR A 101 -13.174 -5.389 -16.095 1.00 0.00 H new ATOM 0 HB THR A 101 -12.167 -3.981 -17.866 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.321 -1.663 -17.619 1.00 0.00 H new ATOM 0 HG21 THR A 101 -14.198 -2.782 -18.629 1.00 0.00 H new ATOM 0 HG22 THR A 101 -14.607 -4.387 -17.978 1.00 0.00 H new ATOM 0 HG23 THR A 101 -14.897 -2.929 -16.999 1.00 0.00 H new ATOM 1658 N SER A 102 -10.680 -5.384 -15.710 1.00 0.00 N ATOM 1659 CA SER A 102 -9.311 -5.506 -15.243 1.00 0.00 C ATOM 1660 C SER A 102 -8.541 -4.273 -15.652 1.00 0.00 C ATOM 1661 O SER A 102 -7.481 -3.960 -15.117 1.00 0.00 O ATOM 1662 CB SER A 102 -8.632 -6.729 -15.858 1.00 0.00 C ATOM 1663 OG SER A 102 -8.528 -6.546 -17.263 1.00 0.00 O ATOM 0 H SER A 102 -10.969 -6.097 -16.379 1.00 0.00 H new ATOM 0 HA SER A 102 -9.323 -5.615 -14.159 1.00 0.00 H new ATOM 0 HB2 SER A 102 -7.642 -6.868 -15.423 1.00 0.00 H new ATOM 0 HB3 SER A 102 -9.207 -7.629 -15.638 1.00 0.00 H new ATOM 0 HG SER A 102 -8.091 -7.327 -17.663 1.00 0.00 H new ATOM 1669 N LEU A 103 -9.088 -3.590 -16.628 1.00 0.00 N ATOM 1670 CA LEU A 103 -8.465 -2.390 -17.142 1.00 0.00 C ATOM 1671 C LEU A 103 -8.541 -1.279 -16.098 1.00 0.00 C ATOM 1672 O LEU A 103 -7.545 -0.635 -15.781 1.00 0.00 O ATOM 1673 CB LEU A 103 -9.186 -1.978 -18.431 1.00 0.00 C ATOM 1674 CG LEU A 103 -8.259 -1.170 -19.354 1.00 0.00 C ATOM 1675 CD1 LEU A 103 -7.656 0.013 -18.590 1.00 0.00 C ATOM 1676 CD2 LEU A 103 -7.130 -2.063 -19.916 1.00 0.00 C ATOM 0 H LEU A 103 -9.964 -3.843 -17.084 1.00 0.00 H new ATOM 0 HA LEU A 103 -7.413 -2.575 -17.362 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -9.538 -2.867 -18.954 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -10.066 -1.384 -18.184 1.00 0.00 H new ATOM 0 HG LEU A 103 -8.851 -0.794 -20.189 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -7.001 0.578 -19.253 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -8.456 0.660 -18.231 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -7.081 -0.357 -17.741 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -6.487 -1.470 -20.566 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.541 -2.466 -19.092 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.565 -2.884 -20.487 1.00 0.00 H new ATOM 1688 N ASP A 104 -9.725 -1.066 -15.556 1.00 0.00 N ATOM 1689 CA ASP A 104 -9.896 -0.045 -14.548 1.00 0.00 C ATOM 1690 C ASP A 104 -9.034 -0.400 -13.348 1.00 0.00 C ATOM 1691 O ASP A 104 -8.473 0.472 -12.685 1.00 0.00 O ATOM 1692 CB ASP A 104 -11.372 0.037 -14.155 1.00 0.00 C ATOM 1693 CG ASP A 104 -11.678 1.378 -13.507 1.00 0.00 C ATOM 1694 OD1 ASP A 104 -10.763 1.980 -12.970 1.00 0.00 O ATOM 1695 OD2 ASP A 104 -12.825 1.785 -13.566 1.00 0.00 O1- ATOM 0 H ASP A 104 -10.572 -1.581 -15.795 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.589 0.928 -14.931 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -11.997 -0.098 -15.038 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -11.616 -0.771 -13.465 1.00 0.00 H new ATOM 1700 N VAL A 105 -8.911 -1.697 -13.105 1.00 0.00 N ATOM 1701 CA VAL A 105 -8.084 -2.187 -12.013 1.00 0.00 C ATOM 1702 C VAL A 105 -6.643 -1.791 -12.277 1.00 0.00 C ATOM 1703 O VAL A 105 -5.937 -1.338 -11.383 1.00 0.00 O ATOM 1704 CB VAL A 105 -8.196 -3.704 -11.923 1.00 0.00 C ATOM 1705 CG1 VAL A 105 -7.159 -4.246 -10.923 1.00 0.00 C ATOM 1706 CG2 VAL A 105 -9.611 -4.086 -11.464 1.00 0.00 C ATOM 0 H VAL A 105 -9.372 -2.427 -13.648 1.00 0.00 H new ATOM 0 HA VAL A 105 -8.419 -1.754 -11.071 1.00 0.00 H new ATOM 0 HB VAL A 105 -8.004 -4.139 -12.904 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -7.244 -5.331 -10.863 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.157 -3.978 -11.257 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -7.341 -3.813 -9.939 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.692 -5.171 -11.399 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -9.806 -3.649 -10.485 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -10.340 -3.710 -12.182 1.00 0.00 H new ATOM 1716 N VAL A 106 -6.230 -1.946 -13.527 1.00 0.00 N ATOM 1717 CA VAL A 106 -4.884 -1.581 -13.926 1.00 0.00 C ATOM 1718 C VAL A 106 -4.653 -0.093 -13.689 1.00 0.00 C ATOM 1719 O VAL A 106 -3.602 0.308 -13.194 1.00 0.00 O ATOM 1720 CB VAL A 106 -4.662 -1.960 -15.399 1.00 0.00 C ATOM 1721 CG1 VAL A 106 -3.451 -1.219 -15.954 1.00 0.00 C ATOM 1722 CG2 VAL A 106 -4.403 -3.468 -15.492 1.00 0.00 C ATOM 0 H VAL A 106 -6.808 -2.321 -14.279 1.00 0.00 H new ATOM 0 HA VAL A 106 -4.160 -2.128 -13.322 1.00 0.00 H new ATOM 0 HB VAL A 106 -5.547 -1.689 -15.975 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -3.303 -1.495 -16.998 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -3.618 -0.144 -15.883 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.565 -1.487 -15.379 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.244 -3.746 -16.534 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.517 -3.722 -14.910 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -5.263 -4.010 -15.099 1.00 0.00 H new ATOM 1732 N TYR A 107 -5.645 0.717 -14.021 1.00 0.00 N ATOM 1733 CA TYR A 107 -5.537 2.148 -13.812 1.00 0.00 C ATOM 1734 C TYR A 107 -5.370 2.402 -12.325 1.00 0.00 C ATOM 1735 O TYR A 107 -4.546 3.210 -11.896 1.00 0.00 O ATOM 1736 CB TYR A 107 -6.821 2.825 -14.297 1.00 0.00 C ATOM 1737 CG TYR A 107 -6.776 3.097 -15.782 1.00 0.00 C ATOM 1738 CD1 TYR A 107 -6.002 2.312 -16.656 1.00 0.00 C ATOM 1739 CD2 TYR A 107 -7.525 4.159 -16.280 1.00 0.00 C ATOM 1740 CE1 TYR A 107 -5.990 2.606 -18.026 1.00 0.00 C ATOM 1741 CE2 TYR A 107 -7.516 4.451 -17.647 1.00 0.00 C ATOM 1742 CZ TYR A 107 -6.747 3.674 -18.521 1.00 0.00 C ATOM 1743 OH TYR A 107 -6.733 3.962 -19.870 1.00 0.00 O ATOM 0 H TYR A 107 -6.526 0.410 -14.433 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.685 2.548 -14.362 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.677 2.190 -14.068 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -6.966 3.762 -13.759 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -5.420 1.487 -16.273 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -8.117 4.761 -15.606 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -5.396 2.008 -18.701 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -8.101 5.275 -18.028 1.00 0.00 H new ATOM 0 HH TYR A 107 -7.313 4.732 -20.046 1.00 0.00 H new ATOM 1753 N ALA A 108 -6.173 1.688 -11.554 1.00 0.00 N ATOM 1754 CA ALA A 108 -6.140 1.806 -10.113 1.00 0.00 C ATOM 1755 C ALA A 108 -4.778 1.387 -9.581 1.00 0.00 C ATOM 1756 O ALA A 108 -4.241 2.009 -8.671 1.00 0.00 O ATOM 1757 CB ALA A 108 -7.237 0.945 -9.488 1.00 0.00 C ATOM 0 H ALA A 108 -6.857 1.019 -11.907 1.00 0.00 H new ATOM 0 HA ALA A 108 -6.315 2.848 -9.844 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -7.202 1.042 -8.403 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.210 1.276 -9.851 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -7.082 -0.098 -9.764 1.00 0.00 H new ATOM 1763 N LEU A 109 -4.222 0.328 -10.158 1.00 0.00 N ATOM 1764 CA LEU A 109 -2.916 -0.151 -9.734 1.00 0.00 C ATOM 1765 C LEU A 109 -1.837 0.855 -10.122 1.00 0.00 C ATOM 1766 O LEU A 109 -0.853 1.034 -9.407 1.00 0.00 O ATOM 1767 CB LEU A 109 -2.623 -1.539 -10.362 1.00 0.00 C ATOM 1768 CG LEU A 109 -3.046 -2.682 -9.422 1.00 0.00 C ATOM 1769 CD1 LEU A 109 -3.140 -3.999 -10.211 1.00 0.00 C ATOM 1770 CD2 LEU A 109 -2.007 -2.859 -8.295 1.00 0.00 C ATOM 0 H LEU A 109 -4.651 -0.209 -10.912 1.00 0.00 H new ATOM 0 HA LEU A 109 -2.914 -0.258 -8.649 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.153 -1.630 -11.310 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -1.559 -1.623 -10.583 1.00 0.00 H new ATOM 0 HG LEU A 109 -4.016 -2.432 -8.992 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.440 -4.804 -9.540 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -3.878 -3.895 -11.006 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.168 -4.232 -10.647 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.318 -3.671 -7.637 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -1.036 -3.096 -8.729 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.932 -1.935 -7.721 1.00 0.00 H new