USER MOD reduce.3.24.130724 H: found=0, std=0, add=449, rem=0, adj=12 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 Set 1.1: A 22 HIS : no HE2:sc= -5.25! K(o=-5.1!,f=-3.5) USER MOD Set 1.2: A 57 TYR OH : rot -113:sc= 0.155 USER MOD Set 2.1: A 12 MET CE :methyl 166:sc= -1.74 (180deg=-1.24) USER MOD Set 2.2: A 20 GLN : amide:sc= -0.0947 K(o=-1.8,f=-1.2) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -7.28! C(o=-7.3!,f=-7.3!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.08 USER MOD Single : A 39 THR OG1 : rot 75:sc= 0.697 USER MOD Single : A 41 GLN : amide:sc= -0.554 X(o=-0.55,f=-0.57) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -47:sc= 0.41 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 160:sc= -0.0357 (180deg=-0.302) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 129 N PRO A 11 -0.817 0.141 -6.799 1.00 0.00 N ATOM 130 CA PRO A 11 -0.802 1.353 -5.973 1.00 0.00 C ATOM 131 C PRO A 11 -1.120 2.607 -6.779 1.00 0.00 C ATOM 132 O PRO A 11 -1.606 2.526 -7.907 1.00 0.00 O ATOM 133 CB PRO A 11 0.634 1.405 -5.446 1.00 0.00 C ATOM 134 CG PRO A 11 1.435 0.655 -6.455 1.00 0.00 C ATOM 135 CD PRO A 11 0.530 -0.423 -6.984 1.00 0.00 C ATOM 0 HA PRO A 11 -1.557 1.321 -5.188 1.00 0.00 H new ATOM 0 HB2 PRO A 11 0.983 2.433 -5.348 1.00 0.00 H new ATOM 0 HB3 PRO A 11 0.711 0.947 -4.460 1.00 0.00 H new ATOM 0 HG2 PRO A 11 1.768 1.314 -7.257 1.00 0.00 H new ATOM 0 HG3 PRO A 11 2.330 0.227 -6.003 1.00 0.00 H new ATOM 0 HD2 PRO A 11 0.734 -0.640 -8.032 1.00 0.00 H new ATOM 0 HD3 PRO A 11 0.654 -1.357 -6.435 1.00 0.00 H new ATOM 143 N MET A 12 -0.842 3.768 -6.193 1.00 0.00 N ATOM 144 CA MET A 12 -1.097 5.040 -6.859 1.00 0.00 C ATOM 145 C MET A 12 0.202 5.810 -7.076 1.00 0.00 C ATOM 146 O MET A 12 1.158 5.661 -6.315 1.00 0.00 O ATOM 147 CB MET A 12 -2.072 5.884 -6.036 1.00 0.00 C ATOM 148 CG MET A 12 -3.443 5.247 -5.877 1.00 0.00 C ATOM 149 SD MET A 12 -4.752 6.464 -5.643 1.00 0.00 S ATOM 150 CE MET A 12 -4.169 7.311 -4.177 1.00 0.00 C ATOM 0 H MET A 12 -0.441 3.854 -5.259 1.00 0.00 H new ATOM 0 HA MET A 12 -1.541 4.830 -7.832 1.00 0.00 H new ATOM 0 HB2 MET A 12 -1.645 6.058 -5.049 1.00 0.00 H new ATOM 0 HB3 MET A 12 -2.186 6.859 -6.511 1.00 0.00 H new ATOM 0 HG2 MET A 12 -3.665 4.646 -6.759 1.00 0.00 H new ATOM 0 HG3 MET A 12 -3.427 4.568 -5.024 1.00 0.00 H new ATOM 0 HE1 MET A 12 -4.726 8.239 -4.047 1.00 0.00 H new ATOM 0 HE2 MET A 12 -4.317 6.674 -3.305 1.00 0.00 H new ATOM 0 HE3 MET A 12 -3.108 7.537 -4.285 1.00 0.00 H new ATOM 160 N SER A 13 0.229 6.632 -8.120 1.00 0.00 N ATOM 161 CA SER A 13 1.413 7.422 -8.440 1.00 0.00 C ATOM 162 C SER A 13 1.314 8.818 -7.834 1.00 0.00 C ATOM 163 O SER A 13 0.219 9.339 -7.622 1.00 0.00 O ATOM 164 CB SER A 13 1.590 7.523 -9.956 1.00 0.00 C ATOM 165 OG SER A 13 1.805 6.246 -10.531 1.00 0.00 O ATOM 0 H SER A 13 -0.555 6.769 -8.758 1.00 0.00 H new ATOM 0 HA SER A 13 2.281 6.920 -8.013 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.705 7.980 -10.399 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.434 8.175 -10.184 1.00 0.00 H new ATOM 0 HG SER A 13 1.913 6.338 -11.501 1.00 0.00 H new ATOM 171 N ALA A 14 2.466 9.419 -7.556 1.00 0.00 N ATOM 172 CA ALA A 14 2.511 10.756 -6.976 1.00 0.00 C ATOM 173 C ALA A 14 1.428 11.649 -7.572 1.00 0.00 C ATOM 174 O ALA A 14 0.869 12.505 -6.886 1.00 0.00 O ATOM 175 CB ALA A 14 3.884 11.377 -7.186 1.00 0.00 C ATOM 0 H ALA A 14 3.381 9.001 -7.723 1.00 0.00 H new ATOM 0 HA ALA A 14 2.325 10.667 -5.906 1.00 0.00 H new ATOM 0 HB1 ALA A 14 3.903 12.375 -6.748 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.641 10.756 -6.707 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.093 11.445 -8.254 1.00 0.00 H new ATOM 181 N SER A 15 1.137 11.445 -8.853 1.00 0.00 N ATOM 182 CA SER A 15 0.124 12.235 -9.542 1.00 0.00 C ATOM 183 C SER A 15 -1.217 12.148 -8.820 1.00 0.00 C ATOM 184 O SER A 15 -1.886 13.159 -8.605 1.00 0.00 O ATOM 185 CB SER A 15 -0.030 11.757 -10.987 1.00 0.00 C ATOM 186 OG SER A 15 1.141 12.024 -11.740 1.00 0.00 O ATOM 0 H SER A 15 1.589 10.739 -9.434 1.00 0.00 H new ATOM 0 HA SER A 15 0.449 13.275 -9.544 1.00 0.00 H new ATOM 0 HB2 SER A 15 -0.238 10.687 -10.999 1.00 0.00 H new ATOM 0 HB3 SER A 15 -0.884 12.253 -11.448 1.00 0.00 H new ATOM 0 HG SER A 15 1.018 11.708 -12.659 1.00 0.00 H new ATOM 192 N ALA A 16 -1.604 10.932 -8.448 1.00 0.00 N ATOM 193 CA ALA A 16 -2.863 10.712 -7.748 1.00 0.00 C ATOM 194 C ALA A 16 -2.760 11.131 -6.286 1.00 0.00 C ATOM 195 O ALA A 16 -3.657 11.785 -5.751 1.00 0.00 O ATOM 196 CB ALA A 16 -3.277 9.252 -7.853 1.00 0.00 C ATOM 0 H ALA A 16 -1.063 10.084 -8.620 1.00 0.00 H new ATOM 0 HA ALA A 16 -3.626 11.330 -8.222 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.219 9.102 -7.326 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -3.402 8.984 -8.902 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.507 8.623 -7.407 1.00 0.00 H new ATOM 202 N LEU A 17 -1.661 10.751 -5.643 1.00 0.00 N ATOM 203 CA LEU A 17 -1.440 11.087 -4.241 1.00 0.00 C ATOM 204 C LEU A 17 -1.710 12.567 -3.986 1.00 0.00 C ATOM 205 O LEU A 17 -2.668 12.926 -3.302 1.00 0.00 O ATOM 206 CB LEU A 17 -0.007 10.741 -3.832 1.00 0.00 C ATOM 207 CG LEU A 17 0.361 9.257 -3.870 1.00 0.00 C ATOM 208 CD1 LEU A 17 1.772 9.044 -3.343 1.00 0.00 C ATOM 209 CD2 LEU A 17 -0.639 8.439 -3.068 1.00 0.00 C ATOM 0 H LEU A 17 -0.909 10.210 -6.070 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.135 10.501 -3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.677 11.282 -4.486 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.160 11.111 -2.820 1.00 0.00 H new ATOM 0 HG LEU A 17 0.327 8.920 -4.906 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.017 7.982 -3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.478 9.600 -3.960 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.833 9.397 -2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.361 7.386 -3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.638 8.777 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.636 8.567 -3.490 1.00 0.00 H new ATOM 221 N PHE A 18 -0.859 13.423 -4.544 1.00 0.00 N ATOM 222 CA PHE A 18 -1.006 14.864 -4.379 1.00 0.00 C ATOM 223 C PHE A 18 -2.478 15.266 -4.395 1.00 0.00 C ATOM 224 O PHE A 18 -2.929 16.050 -3.560 1.00 0.00 O ATOM 225 CB PHE A 18 -0.251 15.605 -5.484 1.00 0.00 C ATOM 226 CG PHE A 18 -0.456 17.093 -5.457 1.00 0.00 C ATOM 227 CD1 PHE A 18 0.370 17.906 -4.697 1.00 0.00 C ATOM 228 CD2 PHE A 18 -1.475 17.678 -6.191 1.00 0.00 C ATOM 229 CE1 PHE A 18 0.182 19.275 -4.670 1.00 0.00 C ATOM 230 CE2 PHE A 18 -1.667 19.047 -6.168 1.00 0.00 C ATOM 231 CZ PHE A 18 -0.837 19.846 -5.407 1.00 0.00 C ATOM 0 H PHE A 18 -0.061 13.143 -5.114 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.583 15.139 -3.413 1.00 0.00 H new ATOM 0 HB2 PHE A 18 0.814 15.391 -5.392 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -0.570 15.220 -6.452 1.00 0.00 H new ATOM 0 HD1 PHE A 18 1.169 17.465 -4.120 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.127 17.058 -6.788 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.832 19.898 -4.073 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.465 19.491 -6.745 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.984 20.916 -5.388 1.00 0.00 H new ATOM 241 N VAL A 19 -3.223 14.723 -5.353 1.00 0.00 N ATOM 242 CA VAL A 19 -4.644 15.024 -5.479 1.00 0.00 C ATOM 243 C VAL A 19 -5.409 14.598 -4.231 1.00 0.00 C ATOM 244 O VAL A 19 -6.141 15.392 -3.640 1.00 0.00 O ATOM 245 CB VAL A 19 -5.258 14.326 -6.707 1.00 0.00 C ATOM 246 CG1 VAL A 19 -6.736 14.663 -6.830 1.00 0.00 C ATOM 247 CG2 VAL A 19 -4.508 14.715 -7.972 1.00 0.00 C ATOM 0 H VAL A 19 -2.866 14.073 -6.053 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.729 16.104 -5.603 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.165 13.248 -6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -7.152 14.161 -7.703 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.261 14.329 -5.935 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -6.855 15.741 -6.940 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.956 14.212 -8.829 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.567 15.794 -8.113 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.463 14.417 -7.882 1.00 0.00 H new ATOM 257 N GLN A 20 -5.233 13.342 -3.836 1.00 0.00 N ATOM 258 CA GLN A 20 -5.908 12.811 -2.657 1.00 0.00 C ATOM 259 C GLN A 20 -5.544 13.616 -1.413 1.00 0.00 C ATOM 260 O GLN A 20 -6.342 13.733 -0.483 1.00 0.00 O ATOM 261 CB GLN A 20 -5.541 11.340 -2.452 1.00 0.00 C ATOM 262 CG GLN A 20 -6.252 10.694 -1.275 1.00 0.00 C ATOM 263 CD GLN A 20 -6.367 9.189 -1.417 1.00 0.00 C ATOM 264 OE1 GLN A 20 -7.467 8.644 -1.508 1.00 0.00 O ATOM 265 NE2 GLN A 20 -5.227 8.507 -1.436 1.00 0.00 N ATOM 0 H GLN A 20 -4.629 12.673 -4.314 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.983 12.891 -2.818 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.780 10.785 -3.359 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.464 11.260 -2.304 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.713 10.928 -0.357 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -7.249 11.123 -1.178 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.337 8.999 -1.358 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.242 7.491 -1.529 1.00 0.00 H new ATOM 274 N ASP A 21 -4.336 14.167 -1.404 1.00 0.00 N ATOM 275 CA ASP A 21 -3.867 14.962 -0.275 1.00 0.00 C ATOM 276 C ASP A 21 -4.529 16.336 -0.265 1.00 0.00 C ATOM 277 O ASP A 21 -5.211 16.701 0.693 1.00 0.00 O ATOM 278 CB ASP A 21 -2.346 15.115 -0.328 1.00 0.00 C ATOM 279 CG ASP A 21 -1.621 13.853 0.098 1.00 0.00 C ATOM 280 OD1 ASP A 21 -2.093 13.190 1.045 1.00 0.00 O ATOM 281 OD2 ASP A 21 -0.583 13.529 -0.516 1.00 0.00 O ATOM 0 H ASP A 21 -3.663 14.078 -2.166 1.00 0.00 H new ATOM 0 HA ASP A 21 -4.140 14.441 0.643 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -2.046 15.378 -1.342 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -2.044 15.939 0.318 1.00 0.00 H new ATOM 286 N HIS A 22 -4.322 17.095 -1.337 1.00 0.00 N ATOM 287 CA HIS A 22 -4.899 18.429 -1.452 1.00 0.00 C ATOM 288 C HIS A 22 -6.304 18.365 -2.042 1.00 0.00 C ATOM 289 O HIS A 22 -6.863 19.384 -2.450 1.00 0.00 O ATOM 290 CB HIS A 22 -4.008 19.320 -2.319 1.00 0.00 C ATOM 291 CG HIS A 22 -2.561 19.277 -1.933 1.00 0.00 C ATOM 292 ND1 HIS A 22 -2.025 20.063 -0.935 1.00 0.00 N ATOM 293 CD2 HIS A 22 -1.538 18.535 -2.416 1.00 0.00 C ATOM 294 CE1 HIS A 22 -0.734 19.808 -0.822 1.00 0.00 C ATOM 295 NE2 HIS A 22 -0.413 18.884 -1.710 1.00 0.00 N ATOM 0 H HIS A 22 -3.759 16.809 -2.138 1.00 0.00 H new ATOM 0 HA HIS A 22 -4.964 18.857 -0.452 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.107 19.015 -3.361 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.363 20.349 -2.253 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -2.544 20.736 -0.372 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -1.595 17.804 -3.209 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.056 20.275 -0.123 1.00 0.00 H new ATOM 304 N ARG A 23 -6.868 17.163 -2.087 1.00 0.00 N ATOM 305 CA ARG A 23 -8.206 16.966 -2.630 1.00 0.00 C ATOM 306 C ARG A 23 -9.227 17.819 -1.883 1.00 0.00 C ATOM 307 O ARG A 23 -9.911 18.663 -2.462 1.00 0.00 O ATOM 308 CB ARG A 23 -8.601 15.491 -2.548 1.00 0.00 C ATOM 309 CG ARG A 23 -10.090 15.270 -2.337 1.00 0.00 C ATOM 310 CD ARG A 23 -10.453 13.795 -2.426 1.00 0.00 C ATOM 311 NE ARG A 23 -10.264 13.107 -1.152 1.00 0.00 N ATOM 312 CZ ARG A 23 -10.475 11.807 -0.981 1.00 0.00 C ATOM 313 NH1 ARG A 23 -10.878 11.058 -1.997 1.00 0.00 N ATOM 314 NH2 ARG A 23 -10.282 11.254 0.210 1.00 0.00 N ATOM 0 H ARG A 23 -6.419 16.310 -1.754 1.00 0.00 H new ATOM 0 HA ARG A 23 -8.195 17.275 -3.675 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.294 14.990 -3.466 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -8.053 15.022 -1.731 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -10.382 15.659 -1.362 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -10.652 15.830 -3.085 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.492 13.696 -2.741 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.841 13.317 -3.191 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.953 13.655 -0.350 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.027 11.480 -2.914 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.039 10.060 -1.862 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.972 11.827 0.994 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.444 10.256 0.341 1.00 0.00 H new ATOM 328 N PRO A 24 -9.333 17.596 -0.564 1.00 0.00 N ATOM 329 CA PRO A 24 -10.267 18.334 0.291 1.00 0.00 C ATOM 330 C PRO A 24 -9.860 19.792 0.471 1.00 0.00 C ATOM 331 O PRO A 24 -10.668 20.700 0.276 1.00 0.00 O ATOM 332 CB PRO A 24 -10.191 17.589 1.626 1.00 0.00 C ATOM 333 CG PRO A 24 -8.845 16.950 1.627 1.00 0.00 C ATOM 334 CD PRO A 24 -8.549 16.606 0.193 1.00 0.00 C ATOM 0 HA PRO A 24 -11.269 18.370 -0.136 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.306 18.272 2.468 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.983 16.845 1.710 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.092 17.627 2.029 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.837 16.057 2.252 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.484 16.683 -0.027 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.851 15.586 -0.046 1.00 0.00 H new ATOM 342 N GLN A 25 -8.603 20.009 0.844 1.00 0.00 N ATOM 343 CA GLN A 25 -8.089 21.358 1.051 1.00 0.00 C ATOM 344 C GLN A 25 -8.632 22.315 -0.005 1.00 0.00 C ATOM 345 O GLN A 25 -8.894 23.484 0.278 1.00 0.00 O ATOM 346 CB GLN A 25 -6.560 21.355 1.016 1.00 0.00 C ATOM 347 CG GLN A 25 -5.920 21.138 2.378 1.00 0.00 C ATOM 348 CD GLN A 25 -5.757 22.427 3.158 1.00 0.00 C ATOM 349 OE1 GLN A 25 -4.787 23.161 2.971 1.00 0.00 O ATOM 350 NE2 GLN A 25 -6.708 22.709 4.041 1.00 0.00 N ATOM 0 H GLN A 25 -7.922 19.268 1.009 1.00 0.00 H new ATOM 0 HA GLN A 25 -8.422 21.700 2.031 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.222 20.573 0.336 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.212 22.304 0.608 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.530 20.443 2.955 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.944 20.672 2.246 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -7.495 22.072 4.164 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -6.651 23.563 4.596 1.00 0.00 H new ATOM 359 N PHE A 26 -8.798 21.811 -1.224 1.00 0.00 N ATOM 360 CA PHE A 26 -9.309 22.621 -2.323 1.00 0.00 C ATOM 361 C PHE A 26 -10.735 23.083 -2.042 1.00 0.00 C ATOM 362 O PHE A 26 -11.040 24.275 -2.110 1.00 0.00 O ATOM 363 CB PHE A 26 -9.266 21.829 -3.632 1.00 0.00 C ATOM 364 CG PHE A 26 -9.532 22.668 -4.849 1.00 0.00 C ATOM 365 CD1 PHE A 26 -10.827 23.012 -5.200 1.00 0.00 C ATOM 366 CD2 PHE A 26 -8.486 23.113 -5.642 1.00 0.00 C ATOM 367 CE1 PHE A 26 -11.075 23.782 -6.320 1.00 0.00 C ATOM 368 CE2 PHE A 26 -8.728 23.884 -6.763 1.00 0.00 C ATOM 369 CZ PHE A 26 -10.024 24.220 -7.102 1.00 0.00 C ATOM 0 H PHE A 26 -8.586 20.845 -1.475 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.673 23.501 -2.418 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.287 21.359 -3.731 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -10.002 21.026 -3.586 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -11.653 22.674 -4.591 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -7.470 22.854 -5.381 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -12.090 24.041 -6.584 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -7.904 24.224 -7.374 1.00 0.00 H new ATOM 0 HZ PHE A 26 -10.215 24.824 -7.977 1.00 0.00 H new ATOM 379 N LEU A 27 -11.607 22.132 -1.725 1.00 0.00 N ATOM 380 CA LEU A 27 -13.003 22.439 -1.434 1.00 0.00 C ATOM 381 C LEU A 27 -13.117 23.351 -0.216 1.00 0.00 C ATOM 382 O LEU A 27 -13.695 24.435 -0.292 1.00 0.00 O ATOM 383 CB LEU A 27 -13.790 21.150 -1.195 1.00 0.00 C ATOM 384 CG LEU A 27 -14.289 20.426 -2.447 1.00 0.00 C ATOM 385 CD1 LEU A 27 -13.235 19.456 -2.957 1.00 0.00 C ATOM 386 CD2 LEU A 27 -15.593 19.697 -2.158 1.00 0.00 C ATOM 0 H LEU A 27 -11.372 21.141 -1.663 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.422 22.959 -2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.161 20.463 -0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.650 21.384 -0.568 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.476 21.168 -3.223 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.607 18.950 -3.848 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.326 20.004 -3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.016 18.718 -2.185 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.933 19.188 -3.060 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.433 18.965 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.349 20.415 -1.840 1.00 0.00 H new ATOM 398 N ILE A 28 -12.560 22.904 0.905 1.00 0.00 N ATOM 399 CA ILE A 28 -12.596 23.681 2.138 1.00 0.00 C ATOM 400 C ILE A 28 -12.372 25.164 1.860 1.00 0.00 C ATOM 401 O ILE A 28 -13.044 26.021 2.432 1.00 0.00 O ATOM 402 CB ILE A 28 -11.536 23.193 3.143 1.00 0.00 C ATOM 403 CG1 ILE A 28 -11.970 21.866 3.770 1.00 0.00 C ATOM 404 CG2 ILE A 28 -11.303 24.243 4.218 1.00 0.00 C ATOM 405 CD1 ILE A 28 -11.613 20.657 2.935 1.00 0.00 C ATOM 0 H ILE A 28 -12.079 22.008 0.985 1.00 0.00 H new ATOM 0 HA ILE A 28 -13.587 23.540 2.571 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.598 23.032 2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -11.507 21.769 4.752 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -13.049 21.883 3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -10.551 23.884 4.921 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -10.955 25.166 3.755 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -12.236 24.433 4.750 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -11.951 19.753 3.441 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -12.098 20.731 1.962 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -10.532 20.615 2.799 1.00 0.00 H new ATOM 417 N GLU A 29 -11.424 25.458 0.975 1.00 0.00 N ATOM 418 CA GLU A 29 -11.112 26.837 0.621 1.00 0.00 C ATOM 419 C GLU A 29 -12.156 27.402 -0.338 1.00 0.00 C ATOM 420 O GLU A 29 -12.554 28.561 -0.227 1.00 0.00 O ATOM 421 CB GLU A 29 -9.722 26.923 -0.014 1.00 0.00 C ATOM 422 CG GLU A 29 -8.593 26.993 1.001 1.00 0.00 C ATOM 423 CD GLU A 29 -7.351 27.662 0.446 1.00 0.00 C ATOM 424 OE1 GLU A 29 -7.309 28.911 0.427 1.00 0.00 O ATOM 425 OE2 GLU A 29 -6.422 26.939 0.030 1.00 0.00 O ATOM 0 H GLU A 29 -10.860 24.760 0.491 1.00 0.00 H new ATOM 0 HA GLU A 29 -11.123 27.431 1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.570 26.054 -0.655 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.678 27.804 -0.655 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.933 27.540 1.880 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.342 25.985 1.330 1.00 0.00 H new ATOM 432 N ASN A 30 -12.596 26.573 -1.279 1.00 0.00 N ATOM 433 CA ASN A 30 -13.593 26.990 -2.259 1.00 0.00 C ATOM 434 C ASN A 30 -14.825 26.092 -2.196 1.00 0.00 C ATOM 435 O ASN A 30 -14.976 25.147 -2.971 1.00 0.00 O ATOM 436 CB ASN A 30 -12.998 26.959 -3.668 1.00 0.00 C ATOM 437 CG ASN A 30 -12.101 25.758 -3.891 1.00 0.00 C ATOM 438 OD1 ASN A 30 -12.575 24.628 -4.010 1.00 0.00 O ATOM 439 ND2 ASN A 30 -10.796 25.996 -3.948 1.00 0.00 N ATOM 0 H ASN A 30 -12.278 25.609 -1.384 1.00 0.00 H new ATOM 0 HA ASN A 30 -13.895 28.010 -2.022 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -13.805 26.947 -4.400 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.427 27.872 -3.838 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.143 25.226 -4.096 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.446 26.949 -3.844 1.00 0.00 H new ATOM 446 N PRO A 31 -15.729 26.393 -1.251 1.00 0.00 N ATOM 447 CA PRO A 31 -16.965 25.626 -1.065 1.00 0.00 C ATOM 448 C PRO A 31 -17.950 25.828 -2.211 1.00 0.00 C ATOM 449 O PRO A 31 -19.062 25.298 -2.188 1.00 0.00 O ATOM 450 CB PRO A 31 -17.537 26.188 0.239 1.00 0.00 C ATOM 451 CG PRO A 31 -16.980 27.566 0.335 1.00 0.00 C ATOM 452 CD PRO A 31 -15.614 27.505 -0.293 1.00 0.00 C ATOM 0 HA PRO A 31 -16.779 24.552 -1.037 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -18.627 26.202 0.219 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -17.241 25.581 1.095 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -17.617 28.282 -0.185 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -16.918 27.890 1.374 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -15.359 28.440 -0.791 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -14.838 27.317 0.449 1.00 0.00 H new ATOM 460 N LYS A 32 -17.537 26.596 -3.212 1.00 0.00 N ATOM 461 CA LYS A 32 -18.382 26.867 -4.369 1.00 0.00 C ATOM 462 C LYS A 32 -17.912 26.074 -5.584 1.00 0.00 C ATOM 463 O LYS A 32 -17.976 26.555 -6.716 1.00 0.00 O ATOM 464 CB LYS A 32 -18.378 28.363 -4.691 1.00 0.00 C ATOM 465 CG LYS A 32 -19.355 29.168 -3.851 1.00 0.00 C ATOM 466 CD LYS A 32 -20.795 28.883 -4.245 1.00 0.00 C ATOM 467 CE LYS A 32 -21.231 29.741 -5.423 1.00 0.00 C ATOM 468 NZ LYS A 32 -22.696 30.007 -5.403 1.00 0.00 N ATOM 0 H LYS A 32 -16.621 27.043 -3.246 1.00 0.00 H new ATOM 0 HA LYS A 32 -19.398 26.557 -4.125 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -17.373 28.756 -4.540 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -18.619 28.500 -5.745 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -19.211 28.931 -2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -19.148 30.232 -3.970 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -20.901 27.829 -4.502 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -21.450 29.071 -3.394 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -20.690 30.687 -5.403 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -20.965 29.241 -6.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -22.953 30.595 -6.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -23.213 29.106 -5.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -22.946 30.507 -4.526 1.00 0.00 H new ATOM 482 N THR A 33 -17.439 24.855 -5.343 1.00 0.00 N ATOM 483 CA THR A 33 -16.959 23.995 -6.418 1.00 0.00 C ATOM 484 C THR A 33 -17.422 22.557 -6.219 1.00 0.00 C ATOM 485 O THR A 33 -17.531 22.079 -5.090 1.00 0.00 O ATOM 486 CB THR A 33 -15.422 24.019 -6.511 1.00 0.00 C ATOM 487 OG1 THR A 33 -14.965 25.359 -6.731 1.00 0.00 O ATOM 488 CG2 THR A 33 -14.934 23.121 -7.638 1.00 0.00 C ATOM 0 H THR A 33 -17.378 24.441 -4.413 1.00 0.00 H new ATOM 0 HA THR A 33 -17.378 24.384 -7.346 1.00 0.00 H new ATOM 0 HB THR A 33 -15.017 23.647 -5.570 1.00 0.00 H new ATOM 0 HG1 THR A 33 -13.987 25.366 -6.787 1.00 0.00 H new ATOM 0 HG21 THR A 33 -13.845 23.154 -7.684 1.00 0.00 H new ATOM 0 HG22 THR A 33 -15.258 22.097 -7.454 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.348 23.468 -8.585 1.00 0.00 H new ATOM 496 N SER A 34 -17.693 21.869 -7.324 1.00 0.00 N ATOM 497 CA SER A 34 -18.148 20.485 -7.271 1.00 0.00 C ATOM 498 C SER A 34 -16.968 19.532 -7.106 1.00 0.00 C ATOM 499 O SER A 34 -15.809 19.936 -7.210 1.00 0.00 O ATOM 500 CB SER A 34 -18.929 20.134 -8.539 1.00 0.00 C ATOM 501 OG SER A 34 -19.578 18.881 -8.407 1.00 0.00 O ATOM 0 H SER A 34 -17.605 22.248 -8.267 1.00 0.00 H new ATOM 0 HA SER A 34 -18.804 20.376 -6.407 1.00 0.00 H new ATOM 0 HB2 SER A 34 -19.667 20.910 -8.742 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.251 20.108 -9.392 1.00 0.00 H new ATOM 0 HG SER A 34 -20.072 18.680 -9.229 1.00 0.00 H new ATOM 507 N LEU A 35 -17.272 18.264 -6.849 1.00 0.00 N ATOM 508 CA LEU A 35 -16.237 17.251 -6.669 1.00 0.00 C ATOM 509 C LEU A 35 -15.324 17.183 -7.890 1.00 0.00 C ATOM 510 O LEU A 35 -14.102 17.257 -7.766 1.00 0.00 O ATOM 511 CB LEU A 35 -16.874 15.883 -6.418 1.00 0.00 C ATOM 512 CG LEU A 35 -17.148 15.530 -4.955 1.00 0.00 C ATOM 513 CD1 LEU A 35 -15.845 15.421 -4.179 1.00 0.00 C ATOM 514 CD2 LEU A 35 -18.065 16.565 -4.320 1.00 0.00 C ATOM 0 H LEU A 35 -18.226 17.913 -6.761 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.636 17.530 -5.804 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -17.816 15.837 -6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -16.222 15.118 -6.840 1.00 0.00 H new ATOM 0 HG LEU A 35 -17.648 14.562 -4.922 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -16.060 15.169 -3.140 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -15.223 14.642 -4.620 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -15.317 16.373 -4.220 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -18.249 16.298 -3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -17.592 17.546 -4.365 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -19.011 16.593 -4.860 1.00 0.00 H new ATOM 526 N GLU A 36 -15.927 17.044 -9.066 1.00 0.00 N ATOM 527 CA GLU A 36 -15.167 16.967 -10.308 1.00 0.00 C ATOM 528 C GLU A 36 -14.345 18.235 -10.522 1.00 0.00 C ATOM 529 O GLU A 36 -13.114 18.193 -10.544 1.00 0.00 O ATOM 530 CB GLU A 36 -16.108 16.750 -11.495 1.00 0.00 C ATOM 531 CG GLU A 36 -16.684 15.346 -11.566 1.00 0.00 C ATOM 532 CD GLU A 36 -15.782 14.383 -12.314 1.00 0.00 C ATOM 533 OE1 GLU A 36 -14.566 14.371 -12.033 1.00 0.00 O ATOM 534 OE2 GLU A 36 -16.293 13.641 -13.179 1.00 0.00 O ATOM 0 H GLU A 36 -16.938 16.982 -9.185 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.485 16.120 -10.235 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -16.927 17.467 -11.435 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -15.568 16.959 -12.419 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -16.849 14.973 -10.555 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -17.657 15.381 -12.055 1.00 0.00 H new ATOM 541 N ASP A 37 -15.033 19.360 -10.681 1.00 0.00 N ATOM 542 CA ASP A 37 -14.368 20.640 -10.893 1.00 0.00 C ATOM 543 C ASP A 37 -13.157 20.782 -9.975 1.00 0.00 C ATOM 544 O ASP A 37 -12.036 20.988 -10.439 1.00 0.00 O ATOM 545 CB ASP A 37 -15.345 21.792 -10.651 1.00 0.00 C ATOM 546 CG ASP A 37 -16.651 21.611 -11.399 1.00 0.00 C ATOM 547 OD1 ASP A 37 -16.657 20.882 -12.412 1.00 0.00 O ATOM 548 OD2 ASP A 37 -17.666 22.199 -10.971 1.00 0.00 O ATOM 0 H ASP A 37 -16.052 19.411 -10.667 1.00 0.00 H new ATOM 0 HA ASP A 37 -14.024 20.676 -11.927 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -15.549 21.873 -9.583 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -14.881 22.729 -10.958 1.00 0.00 H new ATOM 553 N ALA A 38 -13.393 20.671 -8.672 1.00 0.00 N ATOM 554 CA ALA A 38 -12.322 20.786 -7.690 1.00 0.00 C ATOM 555 C ALA A 38 -11.087 20.006 -8.130 1.00 0.00 C ATOM 556 O ALA A 38 -9.963 20.501 -8.042 1.00 0.00 O ATOM 557 CB ALA A 38 -12.799 20.299 -6.330 1.00 0.00 C ATOM 0 H ALA A 38 -14.316 20.502 -8.272 1.00 0.00 H new ATOM 0 HA ALA A 38 -12.046 21.838 -7.611 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -11.989 20.390 -5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -13.647 20.902 -6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -13.104 19.255 -6.404 1.00 0.00 H new ATOM 563 N THR A 39 -11.303 18.783 -8.604 1.00 0.00 N ATOM 564 CA THR A 39 -10.209 17.934 -9.056 1.00 0.00 C ATOM 565 C THR A 39 -9.618 18.448 -10.364 1.00 0.00 C ATOM 566 O THR A 39 -8.421 18.722 -10.452 1.00 0.00 O ATOM 567 CB THR A 39 -10.671 16.478 -9.252 1.00 0.00 C ATOM 568 OG1 THR A 39 -11.553 16.097 -8.190 1.00 0.00 O ATOM 569 CG2 THR A 39 -9.479 15.533 -9.291 1.00 0.00 C ATOM 0 H THR A 39 -12.227 18.358 -8.685 1.00 0.00 H new ATOM 0 HA THR A 39 -9.445 17.963 -8.279 1.00 0.00 H new ATOM 0 HB THR A 39 -11.199 16.412 -10.204 1.00 0.00 H new ATOM 0 HG1 THR A 39 -12.430 16.511 -8.329 1.00 0.00 H new ATOM 0 HG21 THR A 39 -9.830 14.510 -9.430 1.00 0.00 H new ATOM 0 HG22 THR A 39 -8.824 15.808 -10.118 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.928 15.603 -8.353 1.00 0.00 H new ATOM 577 N LEU A 40 -10.465 18.578 -11.379 1.00 0.00 N ATOM 578 CA LEU A 40 -10.028 19.060 -12.684 1.00 0.00 C ATOM 579 C LEU A 40 -9.025 20.200 -12.535 1.00 0.00 C ATOM 580 O LEU A 40 -8.204 20.437 -13.421 1.00 0.00 O ATOM 581 CB LEU A 40 -11.230 19.527 -13.507 1.00 0.00 C ATOM 582 CG LEU A 40 -12.073 18.424 -14.149 1.00 0.00 C ATOM 583 CD1 LEU A 40 -13.379 18.993 -14.681 1.00 0.00 C ATOM 584 CD2 LEU A 40 -11.294 17.738 -15.262 1.00 0.00 C ATOM 0 H LEU A 40 -11.459 18.356 -11.323 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.539 18.236 -13.203 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.877 20.123 -12.863 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.870 20.188 -14.296 1.00 0.00 H new ATOM 0 HG LEU A 40 -12.308 17.681 -13.387 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -13.966 18.194 -15.134 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -13.943 19.437 -13.861 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -13.165 19.756 -15.430 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -11.909 16.956 -15.708 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.028 18.470 -16.025 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.386 17.296 -14.852 1.00 0.00 H new ATOM 596 N GLN A 41 -9.098 20.902 -11.409 1.00 0.00 N ATOM 597 CA GLN A 41 -8.196 22.016 -11.144 1.00 0.00 C ATOM 598 C GLN A 41 -6.956 21.545 -10.391 1.00 0.00 C ATOM 599 O GLN A 41 -5.844 22.000 -10.662 1.00 0.00 O ATOM 600 CB GLN A 41 -8.914 23.101 -10.338 1.00 0.00 C ATOM 601 CG GLN A 41 -9.877 23.937 -11.167 1.00 0.00 C ATOM 602 CD GLN A 41 -10.427 25.123 -10.401 1.00 0.00 C ATOM 603 OE1 GLN A 41 -9.700 26.066 -10.088 1.00 0.00 O ATOM 604 NE2 GLN A 41 -11.719 25.083 -10.095 1.00 0.00 N ATOM 0 H GLN A 41 -9.772 20.719 -10.666 1.00 0.00 H new ATOM 0 HA GLN A 41 -7.882 22.432 -12.101 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.463 22.632 -9.521 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.171 23.758 -9.886 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.366 24.292 -12.062 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.704 23.309 -11.500 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.285 24.281 -10.374 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.145 25.854 -9.581 1.00 0.00 H new ATOM 613 N ILE A 42 -7.154 20.633 -9.446 1.00 0.00 N ATOM 614 CA ILE A 42 -6.051 20.100 -8.656 1.00 0.00 C ATOM 615 C ILE A 42 -5.064 19.339 -9.533 1.00 0.00 C ATOM 616 O ILE A 42 -3.851 19.510 -9.412 1.00 0.00 O ATOM 617 CB ILE A 42 -6.557 19.165 -7.541 1.00 0.00 C ATOM 618 CG1 ILE A 42 -7.341 19.961 -6.495 1.00 0.00 C ATOM 619 CG2 ILE A 42 -5.392 18.433 -6.894 1.00 0.00 C ATOM 620 CD1 ILE A 42 -8.276 19.109 -5.665 1.00 0.00 C ATOM 0 H ILE A 42 -8.068 20.247 -9.208 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.547 20.953 -8.202 1.00 0.00 H new ATOM 0 HB ILE A 42 -7.225 18.425 -7.983 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -6.638 20.466 -5.833 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -7.919 20.736 -6.998 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -5.766 17.776 -6.108 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -4.872 17.839 -7.646 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -4.701 19.158 -6.463 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -8.799 19.738 -4.945 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -9.002 18.624 -6.317 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -7.702 18.350 -5.134 1.00 0.00 H new ATOM 632 N GLU A 43 -5.592 18.499 -10.418 1.00 0.00 N ATOM 633 CA GLU A 43 -4.755 17.712 -11.316 1.00 0.00 C ATOM 634 C GLU A 43 -3.798 18.610 -12.094 1.00 0.00 C ATOM 635 O GLU A 43 -2.581 18.444 -12.025 1.00 0.00 O ATOM 636 CB GLU A 43 -5.625 16.912 -12.288 1.00 0.00 C ATOM 637 CG GLU A 43 -6.095 15.579 -11.729 1.00 0.00 C ATOM 638 CD GLU A 43 -5.043 14.493 -11.849 1.00 0.00 C ATOM 639 OE1 GLU A 43 -3.895 14.728 -11.416 1.00 0.00 O ATOM 640 OE2 GLU A 43 -5.368 13.409 -12.375 1.00 0.00 O ATOM 0 H GLU A 43 -6.594 18.346 -10.532 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.167 17.021 -10.712 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.495 17.510 -12.560 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -5.062 16.734 -13.204 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.365 15.704 -10.680 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.997 15.266 -12.255 1.00 0.00 H new ATOM 647 N GLU A 44 -4.358 19.561 -12.836 1.00 0.00 N ATOM 648 CA GLU A 44 -3.554 20.484 -13.628 1.00 0.00 C ATOM 649 C GLU A 44 -2.584 21.260 -12.741 1.00 0.00 C ATOM 650 O GLU A 44 -1.511 21.670 -13.186 1.00 0.00 O ATOM 651 CB GLU A 44 -4.457 21.458 -14.389 1.00 0.00 C ATOM 652 CG GLU A 44 -5.293 22.346 -13.484 1.00 0.00 C ATOM 653 CD GLU A 44 -5.900 23.524 -14.221 1.00 0.00 C ATOM 654 OE1 GLU A 44 -5.439 23.823 -15.343 1.00 0.00 O ATOM 655 OE2 GLU A 44 -6.835 24.147 -13.676 1.00 0.00 O ATOM 0 H GLU A 44 -5.364 19.712 -12.905 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.976 19.900 -14.344 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.840 22.086 -15.031 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.121 20.891 -15.041 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.090 21.753 -13.035 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.671 22.714 -12.668 1.00 0.00 H new ATOM 662 N LEU A 45 -2.969 21.458 -11.485 1.00 0.00 N ATOM 663 CA LEU A 45 -2.135 22.185 -10.535 1.00 0.00 C ATOM 664 C LEU A 45 -0.899 21.373 -10.163 1.00 0.00 C ATOM 665 O LEU A 45 0.112 21.926 -9.730 1.00 0.00 O ATOM 666 CB LEU A 45 -2.936 22.520 -9.276 1.00 0.00 C ATOM 667 CG LEU A 45 -2.124 22.711 -7.994 1.00 0.00 C ATOM 668 CD1 LEU A 45 -1.332 24.008 -8.053 1.00 0.00 C ATOM 669 CD2 LEU A 45 -3.037 22.696 -6.777 1.00 0.00 C ATOM 0 H LEU A 45 -3.853 21.125 -11.101 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.810 23.111 -11.009 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.503 23.432 -9.462 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.661 21.723 -9.108 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.421 21.883 -7.905 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.760 24.127 -7.133 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.650 23.979 -8.903 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.017 24.848 -8.166 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.442 22.833 -5.874 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.765 23.503 -6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.559 21.741 -6.726 1.00 0.00 H new ATOM 681 N TRP A 46 -0.986 20.059 -10.338 1.00 0.00 N ATOM 682 CA TRP A 46 0.127 19.171 -10.023 1.00 0.00 C ATOM 683 C TRP A 46 1.136 19.136 -11.166 1.00 0.00 C ATOM 684 O TRP A 46 2.311 18.831 -10.961 1.00 0.00 O ATOM 685 CB TRP A 46 -0.386 17.759 -9.735 1.00 0.00 C ATOM 686 CG TRP A 46 0.679 16.709 -9.830 1.00 0.00 C ATOM 687 CD1 TRP A 46 0.900 15.858 -10.875 1.00 0.00 C ATOM 688 CD2 TRP A 46 1.667 16.398 -8.841 1.00 0.00 C ATOM 689 NE1 TRP A 46 1.966 15.036 -10.595 1.00 0.00 N ATOM 690 CE2 TRP A 46 2.454 15.349 -9.354 1.00 0.00 C ATOM 691 CE3 TRP A 46 1.965 16.906 -7.574 1.00 0.00 C ATOM 692 CZ2 TRP A 46 3.517 14.799 -8.642 1.00 0.00 C ATOM 693 CZ3 TRP A 46 3.019 16.359 -6.868 1.00 0.00 C ATOM 694 CH2 TRP A 46 3.786 15.315 -7.403 1.00 0.00 C ATOM 0 H TRP A 46 -1.815 19.585 -10.696 1.00 0.00 H new ATOM 0 HA TRP A 46 0.627 19.556 -9.134 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.821 17.735 -8.736 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -1.185 17.520 -10.437 1.00 0.00 H new ATOM 0 HD1 TRP A 46 0.322 15.834 -11.787 1.00 0.00 H new ATOM 0 HE1 TRP A 46 2.334 14.311 -11.211 1.00 0.00 H new ATOM 0 HE3 TRP A 46 1.382 17.712 -7.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 4.108 13.994 -9.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 3.256 16.743 -5.887 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.605 14.910 -6.827 1.00 0.00 H new ATOM 705 N LYS A 47 0.670 19.449 -12.370 1.00 0.00 N ATOM 706 CA LYS A 47 1.532 19.455 -13.546 1.00 0.00 C ATOM 707 C LYS A 47 2.332 20.751 -13.628 1.00 0.00 C ATOM 708 O LYS A 47 3.421 20.785 -14.203 1.00 0.00 O ATOM 709 CB LYS A 47 0.696 19.278 -14.816 1.00 0.00 C ATOM 710 CG LYS A 47 0.124 17.881 -14.978 1.00 0.00 C ATOM 711 CD LYS A 47 -0.666 17.748 -16.269 1.00 0.00 C ATOM 712 CE LYS A 47 -1.764 16.703 -16.146 1.00 0.00 C ATOM 713 NZ LYS A 47 -1.248 15.326 -16.378 1.00 0.00 N ATOM 0 H LYS A 47 -0.300 19.702 -12.557 1.00 0.00 H new ATOM 0 HA LYS A 47 2.231 18.623 -13.458 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.123 19.998 -14.805 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.314 19.511 -15.683 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.934 17.152 -14.969 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.521 17.650 -14.130 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.106 18.711 -16.528 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.007 17.476 -17.082 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.211 16.761 -15.153 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.554 16.920 -16.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.027 14.643 -16.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.844 15.263 -17.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.512 15.108 -15.677 1.00 0.00 H new ATOM 727 N THR A 48 1.787 21.815 -13.047 1.00 0.00 N ATOM 728 CA THR A 48 2.451 23.113 -13.054 1.00 0.00 C ATOM 729 C THR A 48 3.605 23.146 -12.058 1.00 0.00 C ATOM 730 O THR A 48 4.564 23.900 -12.228 1.00 0.00 O ATOM 731 CB THR A 48 1.466 24.249 -12.719 1.00 0.00 C ATOM 732 OG1 THR A 48 1.039 24.142 -11.357 1.00 0.00 O ATOM 733 CG2 THR A 48 0.256 24.206 -13.640 1.00 0.00 C ATOM 0 H THR A 48 0.888 21.804 -12.566 1.00 0.00 H new ATOM 0 HA THR A 48 2.840 23.264 -14.061 1.00 0.00 H new ATOM 0 HB THR A 48 1.980 25.199 -12.864 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.779 23.216 -11.167 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.425 25.018 -13.384 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.582 24.318 -14.674 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.257 23.251 -13.523 1.00 0.00 H new ATOM 741 N LEU A 49 3.507 22.324 -11.019 1.00 0.00 N ATOM 742 CA LEU A 49 4.544 22.258 -9.995 1.00 0.00 C ATOM 743 C LEU A 49 5.918 22.054 -10.624 1.00 0.00 C ATOM 744 O LEU A 49 6.032 21.805 -11.825 1.00 0.00 O ATOM 745 CB LEU A 49 4.247 21.123 -9.013 1.00 0.00 C ATOM 746 CG LEU A 49 3.097 21.367 -8.034 1.00 0.00 C ATOM 747 CD1 LEU A 49 2.794 20.104 -7.242 1.00 0.00 C ATOM 748 CD2 LEU A 49 3.429 22.519 -7.098 1.00 0.00 C ATOM 0 H LEU A 49 2.720 21.694 -10.863 1.00 0.00 H new ATOM 0 HA LEU A 49 4.548 23.205 -9.456 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.025 20.222 -9.586 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.151 20.921 -8.438 1.00 0.00 H new ATOM 0 HG LEU A 49 2.209 21.635 -8.606 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.973 20.296 -6.551 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.512 19.304 -7.927 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.679 19.806 -6.680 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.600 22.678 -6.409 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.330 22.281 -6.533 1.00 0.00 H new ATOM 0 HD23 LEU A 49 3.595 23.425 -7.681 1.00 0.00 H new ATOM 760 N SER A 50 6.960 22.159 -9.805 1.00 0.00 N ATOM 761 CA SER A 50 8.327 21.988 -10.282 1.00 0.00 C ATOM 762 C SER A 50 8.845 20.590 -9.957 1.00 0.00 C ATOM 763 O SER A 50 8.225 19.850 -9.194 1.00 0.00 O ATOM 764 CB SER A 50 9.243 23.042 -9.656 1.00 0.00 C ATOM 765 OG SER A 50 10.349 23.320 -10.498 1.00 0.00 O ATOM 0 H SER A 50 6.883 22.362 -8.808 1.00 0.00 H new ATOM 0 HA SER A 50 8.327 22.114 -11.365 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.680 23.958 -9.476 1.00 0.00 H new ATOM 0 HB3 SER A 50 9.598 22.691 -8.687 1.00 0.00 H new ATOM 0 HG SER A 50 10.918 23.997 -10.077 1.00 0.00 H new ATOM 771 N GLU A 51 9.985 20.237 -10.542 1.00 0.00 N ATOM 772 CA GLU A 51 10.585 18.928 -10.316 1.00 0.00 C ATOM 773 C GLU A 51 10.657 18.613 -8.825 1.00 0.00 C ATOM 774 O GLU A 51 9.908 17.777 -8.320 1.00 0.00 O ATOM 775 CB GLU A 51 11.987 18.872 -10.928 1.00 0.00 C ATOM 776 CG GLU A 51 12.001 18.403 -12.373 1.00 0.00 C ATOM 777 CD GLU A 51 13.298 18.740 -13.083 1.00 0.00 C ATOM 778 OE1 GLU A 51 13.478 19.918 -13.460 1.00 0.00 O ATOM 779 OE2 GLU A 51 14.132 17.828 -13.263 1.00 0.00 O ATOM 0 H GLU A 51 10.511 20.839 -11.176 1.00 0.00 H new ATOM 0 HA GLU A 51 9.955 18.180 -10.798 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.439 19.862 -10.872 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.608 18.204 -10.332 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.844 17.325 -12.403 1.00 0.00 H new ATOM 0 HG3 GLU A 51 11.169 18.861 -12.908 1.00 0.00 H new ATOM 786 N GLU A 52 11.565 19.288 -8.126 1.00 0.00 N ATOM 787 CA GLU A 52 11.736 19.079 -6.693 1.00 0.00 C ATOM 788 C GLU A 52 10.384 18.922 -6.001 1.00 0.00 C ATOM 789 O GLU A 52 10.163 17.965 -5.261 1.00 0.00 O ATOM 790 CB GLU A 52 12.506 20.246 -6.073 1.00 0.00 C ATOM 791 CG GLU A 52 11.803 21.585 -6.218 1.00 0.00 C ATOM 792 CD GLU A 52 12.652 22.745 -5.736 1.00 0.00 C ATOM 793 OE1 GLU A 52 13.211 22.650 -4.623 1.00 0.00 O ATOM 794 OE2 GLU A 52 12.756 23.749 -6.471 1.00 0.00 O ATOM 0 H GLU A 52 12.193 19.984 -8.529 1.00 0.00 H new ATOM 0 HA GLU A 52 12.306 18.161 -6.551 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.667 20.042 -5.014 1.00 0.00 H new ATOM 0 HB3 GLU A 52 13.490 20.309 -6.538 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.541 21.742 -7.264 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.870 21.564 -5.655 1.00 0.00 H new ATOM 801 N GLU A 53 9.486 19.870 -6.249 1.00 0.00 N ATOM 802 CA GLU A 53 8.157 19.838 -5.649 1.00 0.00 C ATOM 803 C GLU A 53 7.539 18.448 -5.769 1.00 0.00 C ATOM 804 O GLU A 53 6.962 17.928 -4.814 1.00 0.00 O ATOM 805 CB GLU A 53 7.247 20.872 -6.315 1.00 0.00 C ATOM 806 CG GLU A 53 5.972 21.151 -5.538 1.00 0.00 C ATOM 807 CD GLU A 53 6.213 21.278 -4.047 1.00 0.00 C ATOM 808 OE1 GLU A 53 6.344 20.233 -3.376 1.00 0.00 O ATOM 809 OE2 GLU A 53 6.270 22.423 -3.550 1.00 0.00 O ATOM 0 H GLU A 53 9.654 20.669 -6.861 1.00 0.00 H new ATOM 0 HA GLU A 53 8.258 20.082 -4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.799 21.804 -6.438 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.985 20.523 -7.314 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.519 22.071 -5.909 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.257 20.348 -5.720 1.00 0.00 H new ATOM 816 N LYS A 54 7.664 17.852 -6.950 1.00 0.00 N ATOM 817 CA LYS A 54 7.120 16.522 -7.198 1.00 0.00 C ATOM 818 C LYS A 54 7.976 15.451 -6.531 1.00 0.00 C ATOM 819 O LYS A 54 7.467 14.604 -5.795 1.00 0.00 O ATOM 820 CB LYS A 54 7.032 16.257 -8.702 1.00 0.00 C ATOM 821 CG LYS A 54 6.069 17.180 -9.428 1.00 0.00 C ATOM 822 CD LYS A 54 6.314 17.175 -10.927 1.00 0.00 C ATOM 823 CE LYS A 54 5.091 17.653 -11.694 1.00 0.00 C ATOM 824 NZ LYS A 54 5.359 17.763 -13.155 1.00 0.00 N ATOM 0 H LYS A 54 8.138 18.269 -7.751 1.00 0.00 H new ATOM 0 HA LYS A 54 6.119 16.480 -6.769 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.024 16.364 -9.140 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.723 15.224 -8.863 1.00 0.00 H new ATOM 0 HG2 LYS A 54 5.044 16.870 -9.225 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.177 18.194 -9.044 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.164 17.816 -11.160 1.00 0.00 H new ATOM 0 HD3 LYS A 54 6.577 16.168 -11.250 1.00 0.00 H new ATOM 0 HE2 LYS A 54 4.265 16.961 -11.528 1.00 0.00 H new ATOM 0 HE3 LYS A 54 4.777 18.623 -11.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 4.501 18.092 -13.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 6.130 18.442 -13.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.634 16.832 -13.529 1.00 0.00 H new ATOM 838 N LEU A 55 9.278 15.493 -6.791 1.00 0.00 N ATOM 839 CA LEU A 55 10.206 14.527 -6.214 1.00 0.00 C ATOM 840 C LEU A 55 9.780 14.139 -4.802 1.00 0.00 C ATOM 841 O LEU A 55 9.426 12.988 -4.543 1.00 0.00 O ATOM 842 CB LEU A 55 11.623 15.101 -6.192 1.00 0.00 C ATOM 843 CG LEU A 55 12.476 14.834 -7.433 1.00 0.00 C ATOM 844 CD1 LEU A 55 12.688 13.340 -7.623 1.00 0.00 C ATOM 845 CD2 LEU A 55 11.827 15.444 -8.667 1.00 0.00 C ATOM 0 H LEU A 55 9.715 16.186 -7.398 1.00 0.00 H new ATOM 0 HA LEU A 55 10.193 13.632 -6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.554 16.179 -6.048 1.00 0.00 H new ATOM 0 HB3 LEU A 55 12.144 14.696 -5.324 1.00 0.00 H new ATOM 0 HG LEU A 55 13.449 15.303 -7.290 1.00 0.00 H new ATOM 0 HD11 LEU A 55 13.297 13.169 -8.511 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.196 12.931 -6.750 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.723 12.848 -7.745 1.00 0.00 H new ATOM 0 HD21 LEU A 55 12.447 15.244 -9.541 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.841 15.004 -8.814 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.728 16.521 -8.531 1.00 0.00 H new ATOM 857 N LYS A 56 9.814 15.106 -3.892 1.00 0.00 N ATOM 858 CA LYS A 56 9.428 14.868 -2.507 1.00 0.00 C ATOM 859 C LYS A 56 8.297 13.849 -2.424 1.00 0.00 C ATOM 860 O LYS A 56 8.297 12.975 -1.557 1.00 0.00 O ATOM 861 CB LYS A 56 8.998 16.178 -1.843 1.00 0.00 C ATOM 862 CG LYS A 56 10.098 17.225 -1.793 1.00 0.00 C ATOM 863 CD LYS A 56 9.527 18.632 -1.750 1.00 0.00 C ATOM 864 CE LYS A 56 10.622 19.673 -1.578 1.00 0.00 C ATOM 865 NZ LYS A 56 10.194 21.015 -2.062 1.00 0.00 N ATOM 0 H LYS A 56 10.105 16.063 -4.089 1.00 0.00 H new ATOM 0 HA LYS A 56 10.294 14.467 -1.979 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.144 16.586 -2.383 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.662 15.968 -0.828 1.00 0.00 H new ATOM 0 HG2 LYS A 56 10.721 17.057 -0.915 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.742 17.119 -2.666 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.976 18.830 -2.669 1.00 0.00 H new ATOM 0 HD3 LYS A 56 8.815 18.712 -0.928 1.00 0.00 H new ATOM 0 HE2 LYS A 56 10.899 19.738 -0.526 1.00 0.00 H new ATOM 0 HE3 LYS A 56 11.512 19.357 -2.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 10.968 21.696 -1.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.954 20.959 -3.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 9.360 21.328 -1.525 1.00 0.00 H new ATOM 879 N TYR A 57 7.334 13.966 -3.332 1.00 0.00 N ATOM 880 CA TYR A 57 6.196 13.055 -3.361 1.00 0.00 C ATOM 881 C TYR A 57 6.555 11.757 -4.079 1.00 0.00 C ATOM 882 O TYR A 57 6.198 10.668 -3.631 1.00 0.00 O ATOM 883 CB TYR A 57 5.002 13.718 -4.050 1.00 0.00 C ATOM 884 CG TYR A 57 4.111 14.492 -3.105 1.00 0.00 C ATOM 885 CD1 TYR A 57 3.104 13.856 -2.391 1.00 0.00 C ATOM 886 CD2 TYR A 57 4.278 15.860 -2.926 1.00 0.00 C ATOM 887 CE1 TYR A 57 2.287 14.559 -1.527 1.00 0.00 C ATOM 888 CE2 TYR A 57 3.467 16.571 -2.063 1.00 0.00 C ATOM 889 CZ TYR A 57 2.472 15.916 -1.366 1.00 0.00 C ATOM 890 OH TYR A 57 1.662 16.620 -0.505 1.00 0.00 O ATOM 0 H TYR A 57 7.319 14.683 -4.058 1.00 0.00 H new ATOM 0 HA TYR A 57 5.927 12.818 -2.332 1.00 0.00 H new ATOM 0 HB2 TYR A 57 5.368 14.392 -4.824 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.409 12.951 -4.549 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.957 12.793 -2.513 1.00 0.00 H new ATOM 0 HD2 TYR A 57 5.055 16.376 -3.471 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.508 14.049 -0.981 1.00 0.00 H new ATOM 0 HE2 TYR A 57 3.611 17.634 -1.934 1.00 0.00 H new ATOM 0 HH TYR A 57 1.099 17.237 -1.017 1.00 0.00 H new ATOM 900 N GLU A 58 7.265 11.883 -5.196 1.00 0.00 N ATOM 901 CA GLU A 58 7.672 10.721 -5.977 1.00 0.00 C ATOM 902 C GLU A 58 8.064 9.563 -5.064 1.00 0.00 C ATOM 903 O GLU A 58 7.683 8.417 -5.301 1.00 0.00 O ATOM 904 CB GLU A 58 8.843 11.080 -6.894 1.00 0.00 C ATOM 905 CG GLU A 58 8.417 11.732 -8.199 1.00 0.00 C ATOM 906 CD GLU A 58 9.596 12.162 -9.049 1.00 0.00 C ATOM 907 OE1 GLU A 58 10.576 11.391 -9.136 1.00 0.00 O ATOM 908 OE2 GLU A 58 9.541 13.267 -9.627 1.00 0.00 O ATOM 0 H GLU A 58 7.570 12.777 -5.580 1.00 0.00 H new ATOM 0 HA GLU A 58 6.824 10.410 -6.587 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.515 11.754 -6.363 1.00 0.00 H new ATOM 0 HB3 GLU A 58 9.409 10.176 -7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.801 11.033 -8.766 1.00 0.00 H new ATOM 0 HG3 GLU A 58 7.795 12.600 -7.981 1.00 0.00 H new ATOM 915 N GLU A 59 8.828 9.871 -4.020 1.00 0.00 N ATOM 916 CA GLU A 59 9.272 8.856 -3.073 1.00 0.00 C ATOM 917 C GLU A 59 8.080 8.184 -2.396 1.00 0.00 C ATOM 918 O GLU A 59 8.076 6.972 -2.180 1.00 0.00 O ATOM 919 CB GLU A 59 10.188 9.478 -2.017 1.00 0.00 C ATOM 920 CG GLU A 59 11.508 9.982 -2.576 1.00 0.00 C ATOM 921 CD GLU A 59 11.433 11.424 -3.038 1.00 0.00 C ATOM 922 OE1 GLU A 59 10.760 12.230 -2.362 1.00 0.00 O ATOM 923 OE2 GLU A 59 12.049 11.747 -4.076 1.00 0.00 O ATOM 0 H GLU A 59 9.152 10.815 -3.809 1.00 0.00 H new ATOM 0 HA GLU A 59 9.828 8.099 -3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.666 10.306 -1.538 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.390 8.738 -1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 59 12.281 9.889 -1.813 1.00 0.00 H new ATOM 0 HG3 GLU A 59 11.808 9.351 -3.413 1.00 0.00 H new ATOM 930 N LYS A 60 7.070 8.981 -2.064 1.00 0.00 N ATOM 931 CA LYS A 60 5.871 8.466 -1.413 1.00 0.00 C ATOM 932 C LYS A 60 5.149 7.469 -2.313 1.00 0.00 C ATOM 933 O LYS A 60 4.207 6.802 -1.885 1.00 0.00 O ATOM 934 CB LYS A 60 4.930 9.616 -1.049 1.00 0.00 C ATOM 935 CG LYS A 60 5.506 10.571 -0.017 1.00 0.00 C ATOM 936 CD LYS A 60 4.647 11.816 0.131 1.00 0.00 C ATOM 937 CE LYS A 60 3.422 11.548 0.992 1.00 0.00 C ATOM 938 NZ LYS A 60 3.786 11.300 2.414 1.00 0.00 N ATOM 0 H LYS A 60 7.058 9.986 -2.235 1.00 0.00 H new ATOM 0 HA LYS A 60 6.175 7.951 -0.502 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.686 10.175 -1.953 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.996 9.203 -0.668 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.584 10.065 0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.516 10.857 -0.309 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.238 12.616 0.576 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.333 12.162 -0.854 1.00 0.00 H new ATOM 0 HE2 LYS A 60 2.744 12.400 0.934 1.00 0.00 H new ATOM 0 HE3 LYS A 60 2.884 10.685 0.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 2.954 11.457 3.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.112 10.319 2.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.546 11.951 2.696 1.00 0.00 H new ATOM 952 N ALA A 61 5.597 7.372 -3.560 1.00 0.00 N ATOM 953 CA ALA A 61 4.995 6.453 -4.519 1.00 0.00 C ATOM 954 C ALA A 61 5.813 5.172 -4.640 1.00 0.00 C ATOM 955 O ALA A 61 5.275 4.068 -4.550 1.00 0.00 O ATOM 956 CB ALA A 61 4.857 7.124 -5.877 1.00 0.00 C ATOM 0 H ALA A 61 6.375 7.918 -3.930 1.00 0.00 H new ATOM 0 HA ALA A 61 4.003 6.186 -4.155 1.00 0.00 H new ATOM 0 HB1 ALA A 61 4.406 6.427 -6.583 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.224 8.006 -5.784 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.842 7.420 -6.238 1.00 0.00 H new ATOM 962 N THR A 62 7.118 5.326 -4.846 1.00 0.00 N ATOM 963 CA THR A 62 8.010 4.182 -4.982 1.00 0.00 C ATOM 964 C THR A 62 8.134 3.422 -3.666 1.00 0.00 C ATOM 965 O THR A 62 8.500 2.247 -3.648 1.00 0.00 O ATOM 966 CB THR A 62 9.414 4.616 -5.445 1.00 0.00 C ATOM 967 OG1 THR A 62 10.227 3.463 -5.691 1.00 0.00 O ATOM 968 CG2 THR A 62 10.079 5.498 -4.400 1.00 0.00 C ATOM 0 H THR A 62 7.580 6.232 -4.922 1.00 0.00 H new ATOM 0 HA THR A 62 7.573 3.528 -5.736 1.00 0.00 H new ATOM 0 HB THR A 62 9.308 5.188 -6.367 1.00 0.00 H new ATOM 0 HG1 THR A 62 11.117 3.747 -5.986 1.00 0.00 H new ATOM 0 HG21 THR A 62 11.069 5.792 -4.749 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.472 6.389 -4.236 1.00 0.00 H new ATOM 0 HG23 THR A 62 10.173 4.946 -3.465 1.00 0.00 H new ATOM 976 N LYS A 63 7.825 4.099 -2.566 1.00 0.00 N ATOM 977 CA LYS A 63 7.899 3.488 -1.244 1.00 0.00 C ATOM 978 C LYS A 63 6.819 2.424 -1.075 1.00 0.00 C ATOM 979 O LYS A 63 7.006 1.447 -0.350 1.00 0.00 O ATOM 980 CB LYS A 63 7.753 4.555 -0.157 1.00 0.00 C ATOM 981 CG LYS A 63 7.728 3.989 1.252 1.00 0.00 C ATOM 982 CD LYS A 63 9.125 3.901 1.843 1.00 0.00 C ATOM 983 CE LYS A 63 9.777 2.561 1.536 1.00 0.00 C ATOM 984 NZ LYS A 63 11.258 2.675 1.436 1.00 0.00 N ATOM 0 H LYS A 63 7.520 5.072 -2.564 1.00 0.00 H new ATOM 0 HA LYS A 63 8.874 3.010 -1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.578 5.262 -0.241 1.00 0.00 H new ATOM 0 HB3 LYS A 63 6.834 5.115 -0.331 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.103 4.617 1.886 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.275 2.998 1.239 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.741 4.707 1.444 1.00 0.00 H new ATOM 0 HD3 LYS A 63 9.074 4.043 2.922 1.00 0.00 H new ATOM 0 HE2 LYS A 63 9.520 1.845 2.316 1.00 0.00 H new ATOM 0 HE3 LYS A 63 9.379 2.169 0.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 11.665 1.741 1.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.504 3.339 0.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 11.641 3.024 2.338 1.00 0.00 H new ATOM 998 N ASP A 64 5.692 2.620 -1.750 1.00 0.00 N ATOM 999 CA ASP A 64 4.583 1.676 -1.676 1.00 0.00 C ATOM 1000 C ASP A 64 4.584 0.742 -2.883 1.00 0.00 C ATOM 1001 O ASP A 64 3.934 -0.304 -2.872 1.00 0.00 O ATOM 1002 CB ASP A 64 3.252 2.425 -1.596 1.00 0.00 C ATOM 1003 CG ASP A 64 2.110 1.531 -1.153 1.00 0.00 C ATOM 1004 OD1 ASP A 64 2.284 0.294 -1.169 1.00 0.00 O ATOM 1005 OD2 ASP A 64 1.043 2.068 -0.790 1.00 0.00 O ATOM 0 H ASP A 64 5.522 3.424 -2.355 1.00 0.00 H new ATOM 0 HA ASP A 64 4.708 1.076 -0.774 1.00 0.00 H new ATOM 0 HB2 ASP A 64 3.349 3.258 -0.900 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.019 2.851 -2.572 1.00 0.00 H new ATOM 1010 N LEU A 65 5.316 1.127 -3.922 1.00 0.00 N ATOM 1011 CA LEU A 65 5.401 0.324 -5.137 1.00 0.00 C ATOM 1012 C LEU A 65 6.062 -1.021 -4.856 1.00 0.00 C ATOM 1013 O LEU A 65 5.808 -2.005 -5.551 1.00 0.00 O ATOM 1014 CB LEU A 65 6.186 1.076 -6.214 1.00 0.00 C ATOM 1015 CG LEU A 65 6.733 0.226 -7.361 1.00 0.00 C ATOM 1016 CD1 LEU A 65 5.621 -0.141 -8.332 1.00 0.00 C ATOM 1017 CD2 LEU A 65 7.852 0.963 -8.084 1.00 0.00 C ATOM 0 H LEU A 65 5.859 1.990 -3.948 1.00 0.00 H new ATOM 0 HA LEU A 65 4.388 0.142 -5.494 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.540 1.846 -6.635 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.022 1.587 -5.736 1.00 0.00 H new ATOM 0 HG LEU A 65 7.141 -0.694 -6.943 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.030 -0.746 -9.141 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.852 -0.709 -7.807 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.183 0.768 -8.744 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.230 0.343 -8.897 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.469 1.899 -8.489 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.660 1.175 -7.384 1.00 0.00 H new