USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 539 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 16 LYS NZ :NH3+ -173:sc= 0.991 (180deg=0.547) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.505 X(o=-0.5,f=-0.034) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -26:sc= -2.56! USER MOD Single : A 37 GLN : amide:sc= -0.144 K(o=-0.14,f=-2.1!) USER MOD Single : A 38 GLN :FLIP amide:sc= -0.936 F(o=-2.1!,f=-0.94) USER MOD Single : A 43 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.00992) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot -33:sc= -1.02! USER MOD Single : A 63 GLN : amide:sc= -1.25 K(o=-1.2,f=-4.3!) USER MOD Single : A 65 MET CE :methyl -151:sc= -1.52 (180deg=-1.64) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.508 USER MOD Single : A 67 GLN : amide:sc= -3.09! C(o=-3.1!,f=-5.6!) USER MOD Single : A 71 GLN :FLIP amide:sc= -1.36 F(o=-6.3!,f=-1.4) USER MOD Single : A 72 LYS NZ :NH3+ -166:sc= -0.0503 (180deg=-0.281) USER MOD Single : A 73 CYS SG : rot 70:sc= -5.7! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.106 K(o=-0.11,f=-1.1) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 167 N GLY A 15 -3.608 7.816 -5.904 1.00 0.00 N ATOM 168 CA GLY A 15 -3.529 8.014 -4.468 1.00 0.00 C ATOM 169 C GLY A 15 -3.676 6.719 -3.695 1.00 0.00 C ATOM 170 O GLY A 15 -4.418 6.653 -2.714 1.00 0.00 O ATOM 0 HA2 GLY A 15 -2.573 8.475 -4.220 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.308 8.710 -4.157 1.00 0.00 H new ATOM 174 N LYS A 16 -2.969 5.684 -4.137 1.00 0.00 N ATOM 175 CA LYS A 16 -3.024 4.383 -3.480 1.00 0.00 C ATOM 176 C LYS A 16 -1.647 3.975 -2.966 1.00 0.00 C ATOM 177 O LYS A 16 -0.705 3.815 -3.742 1.00 0.00 O ATOM 178 CB LYS A 16 -3.554 3.323 -4.448 1.00 0.00 C ATOM 179 CG LYS A 16 -4.611 3.846 -5.405 1.00 0.00 C ATOM 180 CD LYS A 16 -4.575 3.109 -6.733 1.00 0.00 C ATOM 181 CE LYS A 16 -5.364 3.848 -7.802 1.00 0.00 C ATOM 182 NZ LYS A 16 -4.794 3.631 -9.161 1.00 0.00 N ATOM 0 H LYS A 16 -2.351 5.721 -4.948 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.701 4.461 -2.629 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.721 2.921 -5.025 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.973 2.496 -3.874 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.597 3.737 -4.954 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.454 4.911 -5.575 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.541 2.993 -7.058 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.984 2.107 -6.605 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.401 3.513 -7.785 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.370 4.914 -7.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.284 4.242 -9.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.780 3.863 -9.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.919 2.636 -9.435 1.00 0.00 H new ATOM 196 N THR A 17 -1.538 3.807 -1.651 1.00 0.00 N ATOM 197 CA THR A 17 -0.277 3.417 -1.034 1.00 0.00 C ATOM 198 C THR A 17 -0.502 2.409 0.087 1.00 0.00 C ATOM 199 O THR A 17 -1.619 2.256 0.584 1.00 0.00 O ATOM 200 CB THR A 17 0.473 4.638 -0.467 1.00 0.00 C ATOM 201 OG1 THR A 17 0.908 5.484 -1.537 1.00 0.00 O ATOM 202 CG2 THR A 17 1.671 4.201 0.361 1.00 0.00 C ATOM 0 H THR A 17 -2.308 3.935 -0.994 1.00 0.00 H new ATOM 0 HA THR A 17 0.328 2.959 -1.816 1.00 0.00 H new ATOM 0 HB THR A 17 -0.211 5.190 0.178 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.382 6.259 -1.169 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.184 5.080 0.750 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.333 3.581 1.191 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.356 3.628 -0.264 1.00 0.00 H new ATOM 210 N VAL A 18 0.565 1.722 0.483 1.00 0.00 N ATOM 211 CA VAL A 18 0.483 0.729 1.547 1.00 0.00 C ATOM 212 C VAL A 18 1.843 0.510 2.200 1.00 0.00 C ATOM 213 O VAL A 18 2.841 0.272 1.519 1.00 0.00 O ATOM 214 CB VAL A 18 -0.042 -0.619 1.018 1.00 0.00 C ATOM 215 CG1 VAL A 18 -1.326 -0.419 0.228 1.00 0.00 C ATOM 216 CG2 VAL A 18 1.016 -1.306 0.168 1.00 0.00 C ATOM 0 H VAL A 18 1.496 1.835 0.083 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.215 1.117 2.288 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.265 -1.262 1.869 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.682 -1.382 -0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.084 0.027 0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.134 0.242 -0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.628 -2.257 -0.197 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.272 -0.669 -0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.907 -1.485 0.770 1.00 0.00 H new ATOM 226 N PHE A 19 1.877 0.593 3.526 1.00 0.00 N ATOM 227 CA PHE A 19 3.116 0.405 4.273 1.00 0.00 C ATOM 228 C PHE A 19 2.991 -0.763 5.247 1.00 0.00 C ATOM 229 O PHE A 19 2.145 -0.751 6.142 1.00 0.00 O ATOM 230 CB PHE A 19 3.476 1.683 5.034 1.00 0.00 C ATOM 231 CG PHE A 19 4.679 1.533 5.921 1.00 0.00 C ATOM 232 CD1 PHE A 19 5.934 1.312 5.377 1.00 0.00 C ATOM 233 CD2 PHE A 19 4.555 1.613 7.298 1.00 0.00 C ATOM 234 CE1 PHE A 19 7.043 1.174 6.190 1.00 0.00 C ATOM 235 CE2 PHE A 19 5.660 1.476 8.116 1.00 0.00 C ATOM 236 CZ PHE A 19 6.906 1.255 7.561 1.00 0.00 C ATOM 0 H PHE A 19 1.061 0.789 4.106 1.00 0.00 H new ATOM 0 HA PHE A 19 3.910 0.178 3.562 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.660 2.483 4.317 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.623 1.988 5.640 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.047 1.247 4.305 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.583 1.784 7.737 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.016 1.003 5.753 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.550 1.542 9.188 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.771 1.146 8.199 1.00 0.00 H new ATOM 246 N ILE A 20 3.840 -1.769 5.066 1.00 0.00 N ATOM 247 CA ILE A 20 3.826 -2.944 5.928 1.00 0.00 C ATOM 248 C ILE A 20 4.876 -2.831 7.028 1.00 0.00 C ATOM 249 O ILE A 20 6.029 -2.489 6.766 1.00 0.00 O ATOM 250 CB ILE A 20 4.076 -4.235 5.125 1.00 0.00 C ATOM 251 CG1 ILE A 20 3.356 -4.170 3.777 1.00 0.00 C ATOM 252 CG2 ILE A 20 3.618 -5.449 5.919 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.183 -3.537 2.680 1.00 0.00 C ATOM 0 H ILE A 20 4.546 -1.794 4.330 1.00 0.00 H new ATOM 0 HA ILE A 20 2.835 -2.993 6.379 1.00 0.00 H new ATOM 0 HB ILE A 20 5.146 -4.329 4.940 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.077 -5.179 3.474 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.431 -3.606 3.895 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.801 -6.353 5.339 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.172 -5.501 6.856 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.552 -5.364 6.132 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.610 -3.525 1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.440 -2.516 2.961 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.096 -4.114 2.534 1.00 0.00 H new ATOM 265 N ARG A 21 4.469 -3.123 8.259 1.00 0.00 N ATOM 266 CA ARG A 21 5.374 -3.055 9.400 1.00 0.00 C ATOM 267 C ARG A 21 5.627 -4.444 9.977 1.00 0.00 C ATOM 268 O ARG A 21 5.011 -5.423 9.557 1.00 0.00 O ATOM 269 CB ARG A 21 4.799 -2.138 10.481 1.00 0.00 C ATOM 270 CG ARG A 21 5.842 -1.261 11.154 1.00 0.00 C ATOM 271 CD ARG A 21 5.197 -0.117 11.921 1.00 0.00 C ATOM 272 NE ARG A 21 6.180 0.666 12.665 1.00 0.00 N ATOM 273 CZ ARG A 21 5.858 1.656 13.490 1.00 0.00 C ATOM 274 NH1 ARG A 21 4.587 1.983 13.675 1.00 0.00 N ATOM 275 NH2 ARG A 21 6.810 2.323 14.131 1.00 0.00 N ATOM 0 H ARG A 21 3.518 -3.409 8.492 1.00 0.00 H new ATOM 0 HA ARG A 21 6.323 -2.646 9.054 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.034 -1.502 10.036 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.306 -2.748 11.238 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.442 -1.865 11.835 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.521 -0.859 10.402 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.668 0.533 11.225 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.454 -0.517 12.611 1.00 0.00 H new ATOM 0 HE ARG A 21 7.167 0.440 12.545 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.853 1.474 13.183 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.343 2.744 14.309 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.789 2.075 13.990 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.562 3.083 14.764 1.00 0.00 H new ATOM 289 N ASN A 22 6.538 -4.522 10.942 1.00 0.00 N ATOM 290 CA ASN A 22 6.873 -5.792 11.576 1.00 0.00 C ATOM 291 C ASN A 22 7.129 -6.872 10.529 1.00 0.00 C ATOM 292 O ASN A 22 6.506 -7.934 10.553 1.00 0.00 O ATOM 293 CB ASN A 22 5.746 -6.231 12.513 1.00 0.00 C ATOM 294 CG ASN A 22 6.187 -7.311 13.482 1.00 0.00 C ATOM 295 OD1 ASN A 22 6.886 -7.037 14.458 1.00 0.00 O ATOM 296 ND2 ASN A 22 5.781 -8.547 13.215 1.00 0.00 N ATOM 0 H ASN A 22 7.057 -3.721 11.302 1.00 0.00 H new ATOM 0 HA ASN A 22 7.785 -5.650 12.156 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.387 -5.368 13.074 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.907 -6.598 11.921 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.048 -9.316 13.830 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.203 -8.728 12.395 1.00 0.00 H new ATOM 303 N LEU A 23 8.049 -6.593 9.612 1.00 0.00 N ATOM 304 CA LEU A 23 8.388 -7.541 8.556 1.00 0.00 C ATOM 305 C LEU A 23 9.453 -8.525 9.029 1.00 0.00 C ATOM 306 O LEU A 23 10.364 -8.159 9.772 1.00 0.00 O ATOM 307 CB LEU A 23 8.881 -6.796 7.314 1.00 0.00 C ATOM 308 CG LEU A 23 7.819 -6.029 6.527 1.00 0.00 C ATOM 309 CD1 LEU A 23 8.373 -5.574 5.186 1.00 0.00 C ATOM 310 CD2 LEU A 23 6.577 -6.886 6.329 1.00 0.00 C ATOM 0 H LEU A 23 8.573 -5.719 9.578 1.00 0.00 H new ATOM 0 HA LEU A 23 7.488 -8.102 8.303 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.656 -6.093 7.620 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.351 -7.517 6.645 1.00 0.00 H new ATOM 0 HG LEU A 23 7.538 -5.146 7.100 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.603 -5.030 4.640 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.231 -4.922 5.349 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.683 -6.444 4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.832 -6.323 5.767 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.842 -7.788 5.778 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.166 -7.161 7.300 1.00 0.00 H new ATOM 322 N SER A 24 9.334 -9.774 8.592 1.00 0.00 N ATOM 323 CA SER A 24 10.286 -10.811 8.972 1.00 0.00 C ATOM 324 C SER A 24 11.573 -10.690 8.163 1.00 0.00 C ATOM 325 O SER A 24 11.545 -10.372 6.974 1.00 0.00 O ATOM 326 CB SER A 24 9.671 -12.197 8.768 1.00 0.00 C ATOM 327 OG SER A 24 10.390 -13.185 9.486 1.00 0.00 O ATOM 0 H SER A 24 8.588 -10.093 7.974 1.00 0.00 H new ATOM 0 HA SER A 24 10.527 -10.679 10.027 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.632 -12.189 9.096 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.668 -12.444 7.706 1.00 0.00 H new ATOM 0 HG SER A 24 9.976 -14.061 9.340 1.00 0.00 H new ATOM 333 N PHE A 25 12.702 -10.945 8.817 1.00 0.00 N ATOM 334 CA PHE A 25 14.001 -10.864 8.159 1.00 0.00 C ATOM 335 C PHE A 25 14.100 -11.877 7.022 1.00 0.00 C ATOM 336 O PHE A 25 14.965 -11.768 6.153 1.00 0.00 O ATOM 337 CB PHE A 25 15.124 -11.105 9.171 1.00 0.00 C ATOM 338 CG PHE A 25 15.553 -9.863 9.898 1.00 0.00 C ATOM 339 CD1 PHE A 25 15.842 -8.701 9.200 1.00 0.00 C ATOM 340 CD2 PHE A 25 15.665 -9.856 11.278 1.00 0.00 C ATOM 341 CE1 PHE A 25 16.238 -7.557 9.866 1.00 0.00 C ATOM 342 CE2 PHE A 25 16.060 -8.714 11.950 1.00 0.00 C ATOM 343 CZ PHE A 25 16.346 -7.563 11.243 1.00 0.00 C ATOM 0 H PHE A 25 12.743 -11.209 9.801 1.00 0.00 H new ATOM 0 HA PHE A 25 14.106 -9.863 7.740 1.00 0.00 H new ATOM 0 HB2 PHE A 25 14.794 -11.846 9.899 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.984 -11.528 8.653 1.00 0.00 H new ATOM 0 HD1 PHE A 25 15.757 -8.690 8.123 1.00 0.00 H new ATOM 0 HD2 PHE A 25 15.441 -10.753 11.836 1.00 0.00 H new ATOM 0 HE1 PHE A 25 16.463 -6.659 9.310 1.00 0.00 H new ATOM 0 HE2 PHE A 25 16.145 -8.722 13.027 1.00 0.00 H new ATOM 0 HZ PHE A 25 16.654 -6.669 11.766 1.00 0.00 H new ATOM 353 N ASP A 26 13.208 -12.861 7.036 1.00 0.00 N ATOM 354 CA ASP A 26 13.193 -13.894 6.006 1.00 0.00 C ATOM 355 C ASP A 26 12.282 -13.494 4.849 1.00 0.00 C ATOM 356 O ASP A 26 12.343 -14.079 3.768 1.00 0.00 O ATOM 357 CB ASP A 26 12.732 -15.227 6.597 1.00 0.00 C ATOM 358 CG ASP A 26 12.825 -16.365 5.601 1.00 0.00 C ATOM 359 OD1 ASP A 26 13.928 -16.593 5.060 1.00 0.00 O ATOM 360 OD2 ASP A 26 11.795 -17.029 5.361 1.00 0.00 O ATOM 0 H ASP A 26 12.486 -12.966 7.749 1.00 0.00 H new ATOM 0 HA ASP A 26 14.208 -14.007 5.624 1.00 0.00 H new ATOM 0 HB2 ASP A 26 13.339 -15.463 7.471 1.00 0.00 H new ATOM 0 HB3 ASP A 26 11.702 -15.132 6.940 1.00 0.00 H new ATOM 365 N SER A 27 11.437 -12.496 5.086 1.00 0.00 N ATOM 366 CA SER A 27 10.509 -12.022 4.065 1.00 0.00 C ATOM 367 C SER A 27 11.264 -11.447 2.870 1.00 0.00 C ATOM 368 O SER A 27 12.406 -11.006 2.998 1.00 0.00 O ATOM 369 CB SER A 27 9.573 -10.963 4.650 1.00 0.00 C ATOM 370 OG SER A 27 8.912 -11.448 5.805 1.00 0.00 O ATOM 0 H SER A 27 11.375 -12.000 5.975 1.00 0.00 H new ATOM 0 HA SER A 27 9.917 -12.871 3.724 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.143 -10.069 4.902 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.836 -10.671 3.901 1.00 0.00 H new ATOM 0 HG SER A 27 8.851 -12.425 5.761 1.00 0.00 H new ATOM 376 N GLU A 28 10.616 -11.455 1.710 1.00 0.00 N ATOM 377 CA GLU A 28 11.226 -10.935 0.492 1.00 0.00 C ATOM 378 C GLU A 28 10.257 -10.023 -0.256 1.00 0.00 C ATOM 379 O GLU A 28 9.074 -9.953 0.076 1.00 0.00 O ATOM 380 CB GLU A 28 11.664 -12.085 -0.417 1.00 0.00 C ATOM 381 CG GLU A 28 12.520 -13.125 0.286 1.00 0.00 C ATOM 382 CD GLU A 28 13.404 -13.899 -0.672 1.00 0.00 C ATOM 383 OE1 GLU A 28 12.866 -14.728 -1.436 1.00 0.00 O ATOM 384 OE2 GLU A 28 14.632 -13.675 -0.659 1.00 0.00 O ATOM 0 H GLU A 28 9.670 -11.815 1.588 1.00 0.00 H new ATOM 0 HA GLU A 28 12.102 -10.352 0.776 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.778 -12.572 -0.825 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.221 -11.678 -1.261 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.144 -12.632 1.032 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.873 -13.821 0.820 1.00 0.00 H new ATOM 391 N GLU A 29 10.769 -9.325 -1.265 1.00 0.00 N ATOM 392 CA GLU A 29 9.950 -8.416 -2.058 1.00 0.00 C ATOM 393 C GLU A 29 8.928 -9.188 -2.888 1.00 0.00 C ATOM 394 O GLU A 29 7.804 -8.731 -3.089 1.00 0.00 O ATOM 395 CB GLU A 29 10.832 -7.567 -2.975 1.00 0.00 C ATOM 396 CG GLU A 29 10.235 -6.211 -3.310 1.00 0.00 C ATOM 397 CD GLU A 29 11.232 -5.283 -3.976 1.00 0.00 C ATOM 398 OE1 GLU A 29 12.194 -4.861 -3.300 1.00 0.00 O ATOM 399 OE2 GLU A 29 11.049 -4.978 -5.173 1.00 0.00 O ATOM 0 H GLU A 29 11.747 -9.372 -1.552 1.00 0.00 H new ATOM 0 HA GLU A 29 9.414 -7.759 -1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.801 -7.420 -2.498 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.012 -8.114 -3.901 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.377 -6.349 -3.968 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.865 -5.745 -2.397 1.00 0.00 H new ATOM 406 N GLU A 30 9.330 -10.361 -3.368 1.00 0.00 N ATOM 407 CA GLU A 30 8.450 -11.196 -4.177 1.00 0.00 C ATOM 408 C GLU A 30 7.308 -11.759 -3.336 1.00 0.00 C ATOM 409 O GLU A 30 6.151 -11.750 -3.755 1.00 0.00 O ATOM 410 CB GLU A 30 9.240 -12.341 -4.814 1.00 0.00 C ATOM 411 CG GLU A 30 8.371 -13.498 -5.276 1.00 0.00 C ATOM 412 CD GLU A 30 9.080 -14.402 -6.265 1.00 0.00 C ATOM 413 OE1 GLU A 30 9.011 -14.123 -7.480 1.00 0.00 O ATOM 414 OE2 GLU A 30 9.705 -15.390 -5.823 1.00 0.00 O ATOM 0 H GLU A 30 10.258 -10.754 -3.211 1.00 0.00 H new ATOM 0 HA GLU A 30 8.026 -10.574 -4.965 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.799 -11.955 -5.666 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.971 -12.711 -4.095 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.063 -14.084 -4.410 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.463 -13.105 -5.735 1.00 0.00 H new ATOM 421 N ALA A 31 7.642 -12.248 -2.146 1.00 0.00 N ATOM 422 CA ALA A 31 6.646 -12.813 -1.245 1.00 0.00 C ATOM 423 C ALA A 31 5.700 -11.735 -0.727 1.00 0.00 C ATOM 424 O ALA A 31 4.481 -11.914 -0.725 1.00 0.00 O ATOM 425 CB ALA A 31 7.327 -13.522 -0.084 1.00 0.00 C ATOM 0 H ALA A 31 8.595 -12.264 -1.784 1.00 0.00 H new ATOM 0 HA ALA A 31 6.056 -13.539 -1.804 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.571 -13.939 0.581 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.957 -14.325 -0.467 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.942 -12.810 0.467 1.00 0.00 H new ATOM 431 N LEU A 32 6.267 -10.617 -0.288 1.00 0.00 N ATOM 432 CA LEU A 32 5.473 -9.510 0.233 1.00 0.00 C ATOM 433 C LEU A 32 4.356 -9.138 -0.736 1.00 0.00 C ATOM 434 O LEU A 32 3.186 -9.082 -0.359 1.00 0.00 O ATOM 435 CB LEU A 32 6.365 -8.295 0.492 1.00 0.00 C ATOM 436 CG LEU A 32 5.691 -7.097 1.162 1.00 0.00 C ATOM 437 CD1 LEU A 32 6.727 -6.064 1.576 1.00 0.00 C ATOM 438 CD2 LEU A 32 4.658 -6.477 0.232 1.00 0.00 C ATOM 0 H LEU A 32 7.274 -10.453 -0.282 1.00 0.00 H new ATOM 0 HA LEU A 32 5.022 -9.829 1.173 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.202 -8.610 1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.782 -7.966 -0.460 1.00 0.00 H new ATOM 0 HG LEU A 32 5.179 -7.447 2.059 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.229 -5.219 2.051 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.428 -6.514 2.279 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.268 -5.718 0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.189 -5.626 0.725 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.147 -6.142 -0.683 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.898 -7.219 -0.014 1.00 0.00 H new ATOM 450 N GLY A 33 4.725 -8.885 -1.988 1.00 0.00 N ATOM 451 CA GLY A 33 3.741 -8.524 -2.993 1.00 0.00 C ATOM 452 C GLY A 33 2.716 -9.616 -3.220 1.00 0.00 C ATOM 453 O GLY A 33 1.513 -9.359 -3.208 1.00 0.00 O ATOM 0 H GLY A 33 5.687 -8.923 -2.325 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.232 -7.610 -2.687 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.249 -8.306 -3.932 1.00 0.00 H new ATOM 457 N GLU A 34 3.193 -10.839 -3.429 1.00 0.00 N ATOM 458 CA GLU A 34 2.308 -11.974 -3.663 1.00 0.00 C ATOM 459 C GLU A 34 1.221 -12.046 -2.595 1.00 0.00 C ATOM 460 O GLU A 34 0.177 -12.667 -2.795 1.00 0.00 O ATOM 461 CB GLU A 34 3.108 -13.279 -3.680 1.00 0.00 C ATOM 462 CG GLU A 34 3.689 -13.618 -5.043 1.00 0.00 C ATOM 463 CD GLU A 34 4.554 -14.863 -5.014 1.00 0.00 C ATOM 464 OE1 GLU A 34 4.931 -15.299 -3.906 1.00 0.00 O ATOM 465 OE2 GLU A 34 4.854 -15.402 -6.100 1.00 0.00 O ATOM 0 H GLU A 34 4.187 -11.069 -3.441 1.00 0.00 H new ATOM 0 HA GLU A 34 1.832 -11.835 -4.634 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.920 -13.208 -2.956 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.463 -14.095 -3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.876 -13.761 -5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.282 -12.776 -5.401 1.00 0.00 H new ATOM 472 N VAL A 35 1.475 -11.406 -1.457 1.00 0.00 N ATOM 473 CA VAL A 35 0.519 -11.396 -0.356 1.00 0.00 C ATOM 474 C VAL A 35 -0.495 -10.268 -0.519 1.00 0.00 C ATOM 475 O VAL A 35 -1.674 -10.428 -0.200 1.00 0.00 O ATOM 476 CB VAL A 35 1.228 -11.241 1.002 1.00 0.00 C ATOM 477 CG1 VAL A 35 0.221 -10.934 2.099 1.00 0.00 C ATOM 478 CG2 VAL A 35 2.024 -12.495 1.332 1.00 0.00 C ATOM 0 H VAL A 35 2.334 -10.888 -1.274 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.000 -12.354 -0.379 1.00 0.00 H new ATOM 0 HB VAL A 35 1.923 -10.404 0.937 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.741 -10.828 3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.300 -10.006 1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.501 -11.748 2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.519 -12.369 2.295 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.351 -13.351 1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.773 -12.665 0.559 1.00 0.00 H new ATOM 488 N LEU A 36 -0.028 -9.129 -1.017 1.00 0.00 N ATOM 489 CA LEU A 36 -0.894 -7.973 -1.223 1.00 0.00 C ATOM 490 C LEU A 36 -1.511 -7.997 -2.618 1.00 0.00 C ATOM 491 O LEU A 36 -2.293 -7.115 -2.976 1.00 0.00 O ATOM 492 CB LEU A 36 -0.105 -6.678 -1.025 1.00 0.00 C ATOM 493 CG LEU A 36 0.719 -6.584 0.260 1.00 0.00 C ATOM 494 CD1 LEU A 36 1.532 -5.299 0.281 1.00 0.00 C ATOM 495 CD2 LEU A 36 -0.186 -6.665 1.481 1.00 0.00 C ATOM 0 H LEU A 36 0.945 -8.981 -1.286 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.698 -8.017 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.567 -6.552 -1.874 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.805 -5.843 -1.046 1.00 0.00 H new ATOM 0 HG LEU A 36 1.410 -7.427 0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.112 -5.250 1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.208 -5.282 -0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.860 -4.442 0.229 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.417 -6.597 2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.902 -5.843 1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.723 -7.614 1.474 1.00 0.00 H new ATOM 507 N GLN A 37 -1.157 -9.012 -3.399 1.00 0.00 N ATOM 508 CA GLN A 37 -1.678 -9.150 -4.754 1.00 0.00 C ATOM 509 C GLN A 37 -3.071 -9.771 -4.740 1.00 0.00 C ATOM 510 O GLN A 37 -3.944 -9.375 -5.512 1.00 0.00 O ATOM 511 CB GLN A 37 -0.734 -10.005 -5.601 1.00 0.00 C ATOM 512 CG GLN A 37 0.341 -9.201 -6.313 1.00 0.00 C ATOM 513 CD GLN A 37 0.878 -9.905 -7.544 1.00 0.00 C ATOM 514 OE1 GLN A 37 0.353 -10.938 -7.961 1.00 0.00 O ATOM 515 NE2 GLN A 37 1.930 -9.349 -8.133 1.00 0.00 N ATOM 0 H GLN A 37 -0.512 -9.750 -3.117 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.748 -8.155 -5.193 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.257 -10.747 -4.961 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.318 -10.551 -6.342 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.067 -8.232 -6.602 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.162 -9.008 -5.623 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.333 -8.492 -7.754 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.335 -9.778 -8.965 1.00 0.00 H new ATOM 524 N GLN A 38 -3.271 -10.746 -3.859 1.00 0.00 N ATOM 525 CA GLN A 38 -4.558 -11.422 -3.747 1.00 0.00 C ATOM 526 C GLN A 38 -5.707 -10.424 -3.847 1.00 0.00 C ATOM 527 O GLN A 38 -6.682 -10.654 -4.562 1.00 0.00 O ATOM 528 CB GLN A 38 -4.643 -12.185 -2.424 1.00 0.00 C ATOM 529 CG GLN A 38 -4.607 -11.286 -1.199 1.00 0.00 C ATOM 530 CD GLN A 38 -4.146 -12.016 0.047 1.00 0.00 C ATOM 531 OE1 GLN A 38 -2.955 -12.600 -0.016 1.00 0.00 O flip ATOM 532 NE2 GLN A 38 -4.852 -12.055 1.055 1.00 0.00 N flip ATOM 0 H GLN A 38 -2.559 -11.085 -3.213 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.642 -12.129 -4.572 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.564 -12.768 -2.409 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.816 -12.893 -2.369 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.941 -10.445 -1.390 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.601 -10.873 -1.027 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.761 -11.592 1.059 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.528 -12.550 1.886 1.00 0.00 H new ATOM 541 N PHE A 39 -5.586 -9.315 -3.124 1.00 0.00 N ATOM 542 CA PHE A 39 -6.615 -8.283 -3.130 1.00 0.00 C ATOM 543 C PHE A 39 -6.756 -7.663 -4.518 1.00 0.00 C ATOM 544 O PHE A 39 -7.830 -7.689 -5.116 1.00 0.00 O ATOM 545 CB PHE A 39 -6.284 -7.196 -2.105 1.00 0.00 C ATOM 546 CG PHE A 39 -5.952 -7.738 -0.744 1.00 0.00 C ATOM 547 CD1 PHE A 39 -4.651 -8.087 -0.421 1.00 0.00 C ATOM 548 CD2 PHE A 39 -6.942 -7.897 0.213 1.00 0.00 C ATOM 549 CE1 PHE A 39 -4.344 -8.586 0.831 1.00 0.00 C ATOM 550 CE2 PHE A 39 -6.640 -8.395 1.466 1.00 0.00 C ATOM 551 CZ PHE A 39 -5.339 -8.739 1.776 1.00 0.00 C ATOM 0 H PHE A 39 -4.785 -9.109 -2.527 1.00 0.00 H new ATOM 0 HA PHE A 39 -7.563 -8.749 -2.861 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.441 -6.609 -2.469 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.133 -6.517 -2.020 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.868 -7.968 -1.155 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.961 -7.629 -0.023 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.326 -8.856 1.070 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.421 -8.515 2.202 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.100 -9.127 2.755 1.00 0.00 H new ATOM 561 N GLY A 40 -5.660 -7.103 -5.023 1.00 0.00 N ATOM 562 CA GLY A 40 -5.682 -6.484 -6.335 1.00 0.00 C ATOM 563 C GLY A 40 -4.332 -6.535 -7.022 1.00 0.00 C ATOM 564 O GLY A 40 -3.436 -7.263 -6.594 1.00 0.00 O ATOM 0 H GLY A 40 -4.759 -7.067 -4.547 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.422 -6.986 -6.958 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.998 -5.445 -6.238 1.00 0.00 H new ATOM 568 N ASP A 41 -4.185 -5.761 -8.092 1.00 0.00 N ATOM 569 CA ASP A 41 -2.934 -5.721 -8.841 1.00 0.00 C ATOM 570 C ASP A 41 -1.955 -4.734 -8.212 1.00 0.00 C ATOM 571 O ASP A 41 -2.236 -3.539 -8.120 1.00 0.00 O ATOM 572 CB ASP A 41 -3.199 -5.338 -10.298 1.00 0.00 C ATOM 573 CG ASP A 41 -4.062 -6.356 -11.017 1.00 0.00 C ATOM 574 OD1 ASP A 41 -3.700 -7.551 -11.008 1.00 0.00 O ATOM 575 OD2 ASP A 41 -5.098 -5.958 -11.589 1.00 0.00 O ATOM 0 H ASP A 41 -4.916 -5.153 -8.460 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.489 -6.716 -8.810 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.687 -4.364 -10.331 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.249 -5.237 -10.822 1.00 0.00 H new ATOM 580 N LEU A 42 -0.806 -5.243 -7.780 1.00 0.00 N ATOM 581 CA LEU A 42 0.214 -4.406 -7.159 1.00 0.00 C ATOM 582 C LEU A 42 1.059 -3.702 -8.216 1.00 0.00 C ATOM 583 O LEU A 42 1.614 -4.341 -9.110 1.00 0.00 O ATOM 584 CB LEU A 42 1.111 -5.251 -6.253 1.00 0.00 C ATOM 585 CG LEU A 42 0.600 -5.483 -4.830 1.00 0.00 C ATOM 586 CD1 LEU A 42 1.366 -6.617 -4.166 1.00 0.00 C ATOM 587 CD2 LEU A 42 0.713 -4.208 -4.008 1.00 0.00 C ATOM 0 H LEU A 42 -0.558 -6.230 -7.848 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.289 -3.648 -6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.261 -6.221 -6.727 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.088 -4.771 -6.193 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.452 -5.765 -4.884 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.989 -6.768 -3.155 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.233 -7.532 -4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.426 -6.365 -4.124 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.345 -4.392 -2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.756 -3.896 -3.962 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.119 -3.421 -4.473 1.00 0.00 H new ATOM 599 N LYS A 43 1.155 -2.381 -8.106 1.00 0.00 N ATOM 600 CA LYS A 43 1.934 -1.589 -9.049 1.00 0.00 C ATOM 601 C LYS A 43 3.429 -1.812 -8.842 1.00 0.00 C ATOM 602 O LYS A 43 4.136 -2.235 -9.756 1.00 0.00 O ATOM 603 CB LYS A 43 1.603 -0.103 -8.895 1.00 0.00 C ATOM 604 CG LYS A 43 2.556 0.814 -9.643 1.00 0.00 C ATOM 605 CD LYS A 43 2.337 0.739 -11.145 1.00 0.00 C ATOM 606 CE LYS A 43 3.488 1.376 -11.908 1.00 0.00 C ATOM 607 NZ LYS A 43 4.682 0.487 -11.955 1.00 0.00 N ATOM 0 H LYS A 43 0.702 -1.836 -7.372 1.00 0.00 H new ATOM 0 HA LYS A 43 1.673 -1.910 -10.057 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.588 0.073 -9.251 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.619 0.156 -7.836 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.416 1.841 -9.305 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.585 0.539 -9.410 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.231 -0.303 -11.447 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.405 1.242 -11.404 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.167 1.607 -12.924 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.757 2.321 -11.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.407 0.912 -12.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.065 0.369 -10.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.409 -0.442 -12.335 1.00 0.00 H new ATOM 621 N TYR A 44 3.903 -1.525 -7.634 1.00 0.00 N ATOM 622 CA TYR A 44 5.314 -1.694 -7.307 1.00 0.00 C ATOM 623 C TYR A 44 5.493 -2.063 -5.838 1.00 0.00 C ATOM 624 O TYR A 44 4.945 -1.409 -4.950 1.00 0.00 O ATOM 625 CB TYR A 44 6.088 -0.412 -7.620 1.00 0.00 C ATOM 626 CG TYR A 44 6.165 0.549 -6.456 1.00 0.00 C ATOM 627 CD1 TYR A 44 7.098 0.370 -5.442 1.00 0.00 C ATOM 628 CD2 TYR A 44 5.303 1.635 -6.368 1.00 0.00 C ATOM 629 CE1 TYR A 44 7.171 1.245 -4.375 1.00 0.00 C ATOM 630 CE2 TYR A 44 5.370 2.516 -5.306 1.00 0.00 C ATOM 631 CZ TYR A 44 6.305 2.317 -4.312 1.00 0.00 C ATOM 632 OH TYR A 44 6.374 3.191 -3.252 1.00 0.00 O ATOM 0 H TYR A 44 3.331 -1.174 -6.866 1.00 0.00 H new ATOM 0 HA TYR A 44 5.707 -2.507 -7.917 1.00 0.00 H new ATOM 0 HB2 TYR A 44 7.099 -0.675 -7.930 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.616 0.090 -8.464 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.778 -0.468 -5.489 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.568 1.793 -7.143 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.902 1.091 -3.595 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.694 3.356 -5.254 1.00 0.00 H new ATOM 0 HH TYR A 44 5.696 3.890 -3.360 1.00 0.00 H new ATOM 642 N VAL A 45 6.264 -3.116 -5.589 1.00 0.00 N ATOM 643 CA VAL A 45 6.518 -3.573 -4.228 1.00 0.00 C ATOM 644 C VAL A 45 7.995 -3.452 -3.874 1.00 0.00 C ATOM 645 O VAL A 45 8.839 -4.149 -4.438 1.00 0.00 O ATOM 646 CB VAL A 45 6.074 -5.036 -4.035 1.00 0.00 C ATOM 647 CG1 VAL A 45 6.430 -5.868 -5.257 1.00 0.00 C ATOM 648 CG2 VAL A 45 6.701 -5.621 -2.779 1.00 0.00 C ATOM 0 H VAL A 45 6.724 -3.669 -6.312 1.00 0.00 H new ATOM 0 HA VAL A 45 5.935 -2.933 -3.566 1.00 0.00 H new ATOM 0 HB VAL A 45 4.991 -5.056 -3.916 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.109 -6.898 -5.102 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.928 -5.459 -6.134 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.509 -5.844 -5.412 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.377 -6.655 -2.658 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.787 -5.589 -2.866 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.389 -5.039 -1.912 1.00 0.00 H new ATOM 658 N ARG A 46 8.302 -2.562 -2.935 1.00 0.00 N ATOM 659 CA ARG A 46 9.679 -2.349 -2.505 1.00 0.00 C ATOM 660 C ARG A 46 9.795 -2.441 -0.987 1.00 0.00 C ATOM 661 O ARG A 46 8.943 -1.936 -0.256 1.00 0.00 O ATOM 662 CB ARG A 46 10.178 -0.984 -2.983 1.00 0.00 C ATOM 663 CG ARG A 46 11.674 -0.942 -3.249 1.00 0.00 C ATOM 664 CD ARG A 46 11.996 -1.320 -4.687 1.00 0.00 C ATOM 665 NE ARG A 46 12.007 -0.156 -5.569 1.00 0.00 N ATOM 666 CZ ARG A 46 12.949 0.781 -5.537 1.00 0.00 C ATOM 667 NH1 ARG A 46 13.950 0.691 -4.673 1.00 0.00 N ATOM 668 NH2 ARG A 46 12.890 1.810 -6.372 1.00 0.00 N ATOM 0 H ARG A 46 7.616 -1.977 -2.458 1.00 0.00 H new ATOM 0 HA ARG A 46 10.297 -3.131 -2.947 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.647 -0.712 -3.895 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.929 -0.233 -2.233 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.054 0.058 -3.041 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.185 -1.624 -2.569 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.968 -1.812 -4.724 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.261 -2.040 -5.046 1.00 0.00 H new ATOM 0 HE ARG A 46 11.251 -0.057 -6.246 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.999 -0.099 -4.030 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.671 1.412 -4.651 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.122 1.882 -7.039 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.613 2.529 -6.347 1.00 0.00 H new ATOM 682 N VAL A 47 10.856 -3.091 -0.518 1.00 0.00 N ATOM 683 CA VAL A 47 11.084 -3.250 0.913 1.00 0.00 C ATOM 684 C VAL A 47 12.357 -2.533 1.349 1.00 0.00 C ATOM 685 O VAL A 47 13.458 -2.889 0.930 1.00 0.00 O ATOM 686 CB VAL A 47 11.186 -4.736 1.303 1.00 0.00 C ATOM 687 CG1 VAL A 47 12.289 -5.422 0.512 1.00 0.00 C ATOM 688 CG2 VAL A 47 11.425 -4.879 2.799 1.00 0.00 C ATOM 0 H VAL A 47 11.571 -3.516 -1.109 1.00 0.00 H new ATOM 0 HA VAL A 47 10.228 -2.807 1.422 1.00 0.00 H new ATOM 0 HB VAL A 47 10.241 -5.222 1.060 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.346 -6.471 0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 47 12.071 -5.351 -0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 47 13.242 -4.936 0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.494 -5.936 3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.355 -4.378 3.068 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.597 -4.426 3.345 1.00 0.00 H new ATOM 698 N VAL A 48 12.198 -1.519 2.195 1.00 0.00 N ATOM 699 CA VAL A 48 13.334 -0.752 2.690 1.00 0.00 C ATOM 700 C VAL A 48 14.280 -1.631 3.502 1.00 0.00 C ATOM 701 O VAL A 48 13.842 -2.481 4.278 1.00 0.00 O ATOM 702 CB VAL A 48 12.875 0.431 3.563 1.00 0.00 C ATOM 703 CG1 VAL A 48 11.998 -0.057 4.706 1.00 0.00 C ATOM 704 CG2 VAL A 48 14.076 1.200 4.093 1.00 0.00 C ATOM 0 H VAL A 48 11.293 -1.210 2.551 1.00 0.00 H new ATOM 0 HA VAL A 48 13.860 -0.367 1.816 1.00 0.00 H new ATOM 0 HB VAL A 48 12.283 1.107 2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.683 0.793 5.312 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.119 -0.559 4.302 1.00 0.00 H new ATOM 0 HG13 VAL A 48 12.562 -0.755 5.325 1.00 0.00 H new ATOM 0 HG21 VAL A 48 13.733 2.032 4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 48 14.696 0.536 4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 48 14.660 1.583 3.257 1.00 0.00 H new ATOM 857 N GLY A 58 12.323 -4.192 9.094 1.00 0.00 N ATOM 858 CA GLY A 58 11.056 -4.752 9.527 1.00 0.00 C ATOM 859 C GLY A 58 9.867 -3.997 8.967 1.00 0.00 C ATOM 860 O GLY A 58 8.802 -3.957 9.584 1.00 0.00 O ATOM 0 HA2 GLY A 58 10.999 -5.795 9.217 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.010 -4.740 10.616 1.00 0.00 H new ATOM 864 N CYS A 59 10.049 -3.396 7.796 1.00 0.00 N ATOM 865 CA CYS A 59 8.982 -2.635 7.154 1.00 0.00 C ATOM 866 C CYS A 59 9.209 -2.546 5.648 1.00 0.00 C ATOM 867 O CYS A 59 10.333 -2.693 5.170 1.00 0.00 O ATOM 868 CB CYS A 59 8.896 -1.231 7.753 1.00 0.00 C ATOM 869 SG CYS A 59 9.387 -1.139 9.491 1.00 0.00 S ATOM 0 H CYS A 59 10.924 -3.421 7.272 1.00 0.00 H new ATOM 0 HA CYS A 59 8.041 -3.155 7.332 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.529 -0.560 7.172 1.00 0.00 H new ATOM 0 HB3 CYS A 59 7.873 -0.868 7.656 1.00 0.00 H new ATOM 0 HG CYS A 59 9.062 -2.244 10.093 1.00 0.00 H new ATOM 875 N ALA A 60 8.133 -2.305 4.906 1.00 0.00 N ATOM 876 CA ALA A 60 8.215 -2.196 3.455 1.00 0.00 C ATOM 877 C ALA A 60 7.098 -1.314 2.907 1.00 0.00 C ATOM 878 O ALA A 60 6.107 -1.055 3.590 1.00 0.00 O ATOM 879 CB ALA A 60 8.161 -3.576 2.818 1.00 0.00 C ATOM 0 H ALA A 60 7.195 -2.182 5.286 1.00 0.00 H new ATOM 0 HA ALA A 60 9.167 -1.729 3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.223 -3.479 1.734 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.997 -4.176 3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.224 -4.064 3.085 1.00 0.00 H new ATOM 885 N PHE A 61 7.265 -0.855 1.671 1.00 0.00 N ATOM 886 CA PHE A 61 6.272 0.000 1.032 1.00 0.00 C ATOM 887 C PHE A 61 5.781 -0.618 -0.273 1.00 0.00 C ATOM 888 O PHE A 61 6.554 -1.224 -1.015 1.00 0.00 O ATOM 889 CB PHE A 61 6.858 1.388 0.764 1.00 0.00 C ATOM 890 CG PHE A 61 7.284 2.110 2.010 1.00 0.00 C ATOM 891 CD1 PHE A 61 8.511 1.844 2.596 1.00 0.00 C ATOM 892 CD2 PHE A 61 6.457 3.055 2.596 1.00 0.00 C ATOM 893 CE1 PHE A 61 8.904 2.506 3.743 1.00 0.00 C ATOM 894 CE2 PHE A 61 6.845 3.721 3.743 1.00 0.00 C ATOM 895 CZ PHE A 61 8.071 3.447 4.317 1.00 0.00 C ATOM 0 H PHE A 61 8.079 -1.061 1.092 1.00 0.00 H new ATOM 0 HA PHE A 61 5.424 0.097 1.709 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.716 1.289 0.100 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.117 1.991 0.240 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.168 1.111 2.151 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.498 3.274 2.151 1.00 0.00 H new ATOM 0 HE1 PHE A 61 9.862 2.288 4.191 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.191 4.455 4.190 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.378 3.967 5.212 1.00 0.00 H new ATOM 905 N ALA A 62 4.490 -0.461 -0.547 1.00 0.00 N ATOM 906 CA ALA A 62 3.896 -1.002 -1.763 1.00 0.00 C ATOM 907 C ALA A 62 2.853 -0.049 -2.336 1.00 0.00 C ATOM 908 O ALA A 62 2.487 0.939 -1.700 1.00 0.00 O ATOM 909 CB ALA A 62 3.274 -2.363 -1.487 1.00 0.00 C ATOM 0 H ALA A 62 3.836 0.036 0.057 1.00 0.00 H new ATOM 0 HA ALA A 62 4.688 -1.120 -2.503 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.834 -2.755 -2.404 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.043 -3.049 -1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.499 -2.261 -0.728 1.00 0.00 H new ATOM 915 N GLN A 63 2.379 -0.351 -3.541 1.00 0.00 N ATOM 916 CA GLN A 63 1.379 0.481 -4.199 1.00 0.00 C ATOM 917 C GLN A 63 0.375 -0.376 -4.962 1.00 0.00 C ATOM 918 O GLN A 63 0.753 -1.296 -5.687 1.00 0.00 O ATOM 919 CB GLN A 63 2.054 1.469 -5.152 1.00 0.00 C ATOM 920 CG GLN A 63 1.241 2.729 -5.400 1.00 0.00 C ATOM 921 CD GLN A 63 1.738 3.520 -6.593 1.00 0.00 C ATOM 922 OE1 GLN A 63 2.466 2.998 -7.439 1.00 0.00 O ATOM 923 NE2 GLN A 63 1.347 4.787 -6.669 1.00 0.00 N ATOM 0 H GLN A 63 2.672 -1.165 -4.081 1.00 0.00 H new ATOM 0 HA GLN A 63 0.843 1.038 -3.430 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.025 1.748 -4.744 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.239 0.973 -6.105 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.197 2.458 -5.558 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.275 3.359 -4.511 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.744 5.179 -5.946 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.650 5.368 -7.450 1.00 0.00 H new ATOM 932 N PHE A 64 -0.907 -0.067 -4.794 1.00 0.00 N ATOM 933 CA PHE A 64 -1.966 -0.810 -5.466 1.00 0.00 C ATOM 934 C PHE A 64 -2.406 -0.097 -6.742 1.00 0.00 C ATOM 935 O PHE A 64 -2.102 1.078 -6.944 1.00 0.00 O ATOM 936 CB PHE A 64 -3.164 -0.991 -4.531 1.00 0.00 C ATOM 937 CG PHE A 64 -3.093 -2.241 -3.701 1.00 0.00 C ATOM 938 CD1 PHE A 64 -3.382 -3.476 -4.258 1.00 0.00 C ATOM 939 CD2 PHE A 64 -2.737 -2.180 -2.363 1.00 0.00 C ATOM 940 CE1 PHE A 64 -3.317 -4.628 -3.497 1.00 0.00 C ATOM 941 CE2 PHE A 64 -2.670 -3.328 -1.597 1.00 0.00 C ATOM 942 CZ PHE A 64 -2.961 -4.554 -2.164 1.00 0.00 C ATOM 0 H PHE A 64 -1.237 0.693 -4.198 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.573 -1.790 -5.735 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.231 -0.128 -3.869 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.078 -1.010 -5.124 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.661 -3.539 -5.299 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.509 -1.224 -1.914 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.544 -5.585 -3.944 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.390 -3.267 -0.556 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.910 -5.452 -1.567 1.00 0.00 H new ATOM 952 N MET A 65 -3.123 -0.817 -7.598 1.00 0.00 N ATOM 953 CA MET A 65 -3.605 -0.254 -8.854 1.00 0.00 C ATOM 954 C MET A 65 -4.951 0.436 -8.659 1.00 0.00 C ATOM 955 O MET A 65 -5.384 1.227 -9.498 1.00 0.00 O ATOM 956 CB MET A 65 -3.728 -1.349 -9.915 1.00 0.00 C ATOM 957 CG MET A 65 -2.457 -1.558 -10.722 1.00 0.00 C ATOM 958 SD MET A 65 -2.392 -0.523 -12.197 1.00 0.00 S ATOM 959 CE MET A 65 -1.086 0.618 -11.752 1.00 0.00 C ATOM 0 H MET A 65 -3.383 -1.791 -7.445 1.00 0.00 H new ATOM 0 HA MET A 65 -2.882 0.488 -9.192 1.00 0.00 H new ATOM 0 HB2 MET A 65 -3.998 -2.286 -9.429 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.542 -1.096 -10.594 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.593 -1.343 -10.094 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.385 -2.606 -11.015 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.250 1.572 -12.252 1.00 0.00 H new ATOM 0 HE2 MET A 65 -1.087 0.769 -10.673 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.124 0.208 -12.060 1.00 0.00 H new ATOM 969 N THR A 66 -5.612 0.131 -7.546 1.00 0.00 N ATOM 970 CA THR A 66 -6.910 0.719 -7.242 1.00 0.00 C ATOM 971 C THR A 66 -7.005 1.110 -5.771 1.00 0.00 C ATOM 972 O THR A 66 -6.463 0.428 -4.903 1.00 0.00 O ATOM 973 CB THR A 66 -8.059 -0.249 -7.579 1.00 0.00 C ATOM 974 OG1 THR A 66 -7.794 -1.539 -7.018 1.00 0.00 O ATOM 975 CG2 THR A 66 -8.238 -0.372 -9.085 1.00 0.00 C ATOM 0 H THR A 66 -5.269 -0.520 -6.840 1.00 0.00 H new ATOM 0 HA THR A 66 -7.005 1.612 -7.860 1.00 0.00 H new ATOM 0 HB THR A 66 -8.978 0.150 -7.151 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.530 -2.148 -7.236 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.055 -1.061 -9.299 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.469 0.607 -9.505 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.318 -0.750 -9.531 1.00 0.00 H new ATOM 983 N GLN A 67 -7.699 2.211 -5.500 1.00 0.00 N ATOM 984 CA GLN A 67 -7.865 2.692 -4.134 1.00 0.00 C ATOM 985 C GLN A 67 -8.579 1.653 -3.274 1.00 0.00 C ATOM 986 O GLN A 67 -8.185 1.400 -2.136 1.00 0.00 O ATOM 987 CB GLN A 67 -8.648 4.005 -4.124 1.00 0.00 C ATOM 988 CG GLN A 67 -7.766 5.240 -4.209 1.00 0.00 C ATOM 989 CD GLN A 67 -7.047 5.534 -2.907 1.00 0.00 C ATOM 990 OE1 GLN A 67 -6.664 4.620 -2.176 1.00 0.00 O ATOM 991 NE2 GLN A 67 -6.858 6.814 -2.611 1.00 0.00 N ATOM 0 H GLN A 67 -8.155 2.786 -6.208 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.874 2.866 -3.714 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.346 4.009 -4.961 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.244 4.056 -3.213 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.031 5.103 -5.003 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -8.377 6.100 -4.485 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.192 7.539 -3.246 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -6.379 7.073 -1.749 1.00 0.00 H new ATOM 1000 N GLU A 68 -9.631 1.057 -3.827 1.00 0.00 N ATOM 1001 CA GLU A 68 -10.400 0.047 -3.110 1.00 0.00 C ATOM 1002 C GLU A 68 -9.508 -1.114 -2.682 1.00 0.00 C ATOM 1003 O GLU A 68 -9.756 -1.759 -1.664 1.00 0.00 O ATOM 1004 CB GLU A 68 -11.545 -0.469 -3.983 1.00 0.00 C ATOM 1005 CG GLU A 68 -12.764 -0.910 -3.191 1.00 0.00 C ATOM 1006 CD GLU A 68 -13.985 -1.117 -4.066 1.00 0.00 C ATOM 1007 OE1 GLU A 68 -14.697 -0.128 -4.337 1.00 0.00 O ATOM 1008 OE2 GLU A 68 -14.229 -2.270 -4.480 1.00 0.00 O ATOM 0 H GLU A 68 -9.970 1.256 -4.768 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.816 0.511 -2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.840 0.315 -4.681 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.186 -1.308 -4.579 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.536 -1.838 -2.667 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.989 -0.162 -2.431 1.00 0.00 H new ATOM 1015 N ALA A 69 -8.469 -1.375 -3.469 1.00 0.00 N ATOM 1016 CA ALA A 69 -7.539 -2.458 -3.172 1.00 0.00 C ATOM 1017 C ALA A 69 -6.824 -2.219 -1.846 1.00 0.00 C ATOM 1018 O ALA A 69 -6.998 -2.975 -0.891 1.00 0.00 O ATOM 1019 CB ALA A 69 -6.528 -2.609 -4.299 1.00 0.00 C ATOM 0 H ALA A 69 -8.250 -0.852 -4.317 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.111 -3.382 -3.085 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.840 -3.421 -4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.051 -2.834 -5.229 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.968 -1.681 -4.413 1.00 0.00 H new ATOM 1025 N ALA A 70 -6.018 -1.163 -1.795 1.00 0.00 N ATOM 1026 CA ALA A 70 -5.278 -0.825 -0.586 1.00 0.00 C ATOM 1027 C ALA A 70 -6.167 -0.928 0.649 1.00 0.00 C ATOM 1028 O ALA A 70 -5.781 -1.524 1.654 1.00 0.00 O ATOM 1029 CB ALA A 70 -4.691 0.574 -0.701 1.00 0.00 C ATOM 0 H ALA A 70 -5.861 -0.527 -2.577 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.464 -1.541 -0.476 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.141 0.814 0.209 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.015 0.616 -1.555 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.496 1.296 -0.839 1.00 0.00 H new ATOM 1035 N GLN A 71 -7.358 -0.343 0.565 1.00 0.00 N ATOM 1036 CA GLN A 71 -8.300 -0.368 1.678 1.00 0.00 C ATOM 1037 C GLN A 71 -8.680 -1.801 2.037 1.00 0.00 C ATOM 1038 O GLN A 71 -8.837 -2.138 3.210 1.00 0.00 O ATOM 1039 CB GLN A 71 -9.556 0.433 1.328 1.00 0.00 C ATOM 1040 CG GLN A 71 -9.267 1.866 0.914 1.00 0.00 C ATOM 1041 CD GLN A 71 -8.119 2.479 1.691 1.00 0.00 C ATOM 1042 OE1 GLN A 71 -6.895 2.131 1.311 1.00 0.00 O flip ATOM 1043 NE2 GLN A 71 -8.329 3.256 2.623 1.00 0.00 N flip ATOM 0 H GLN A 71 -7.693 0.153 -0.261 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.816 0.087 2.542 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.084 -0.071 0.519 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.224 0.440 2.189 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.035 1.893 -0.151 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.163 2.470 1.060 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.286 3.496 2.881 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.546 3.660 3.137 1.00 0.00 H new ATOM 1052 N LYS A 72 -8.827 -2.642 1.018 1.00 0.00 N ATOM 1053 CA LYS A 72 -9.188 -4.039 1.225 1.00 0.00 C ATOM 1054 C LYS A 72 -8.086 -4.780 1.975 1.00 0.00 C ATOM 1055 O LYS A 72 -8.353 -5.734 2.707 1.00 0.00 O ATOM 1056 CB LYS A 72 -9.454 -4.723 -0.118 1.00 0.00 C ATOM 1057 CG LYS A 72 -10.843 -4.456 -0.671 1.00 0.00 C ATOM 1058 CD LYS A 72 -11.065 -5.175 -1.992 1.00 0.00 C ATOM 1059 CE LYS A 72 -12.459 -4.915 -2.540 1.00 0.00 C ATOM 1060 NZ LYS A 72 -13.519 -5.391 -1.609 1.00 0.00 N ATOM 0 H LYS A 72 -8.701 -2.380 0.040 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.096 -4.068 1.827 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.713 -4.385 -0.842 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.319 -5.798 -0.002 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.592 -4.781 0.051 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.980 -3.384 -0.812 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.321 -4.845 -2.717 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.921 -6.247 -1.853 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.586 -3.847 -2.719 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.570 -5.415 -3.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.432 -5.417 -2.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.282 -6.346 -1.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.585 -4.744 -0.798 1.00 0.00 H new ATOM 1074 N CYS A 73 -6.848 -4.335 1.789 1.00 0.00 N ATOM 1075 CA CYS A 73 -5.705 -4.956 2.450 1.00 0.00 C ATOM 1076 C CYS A 73 -5.639 -4.551 3.918 1.00 0.00 C ATOM 1077 O CYS A 73 -5.362 -5.377 4.790 1.00 0.00 O ATOM 1078 CB CYS A 73 -4.407 -4.566 1.742 1.00 0.00 C ATOM 1079 SG CYS A 73 -2.912 -5.197 2.540 1.00 0.00 S ATOM 0 H CYS A 73 -6.610 -3.547 1.186 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.829 -6.038 2.396 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.441 -4.933 0.716 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.347 -3.479 1.690 1.00 0.00 H new ATOM 0 HG CYS A 73 -2.851 -6.487 2.389 1.00 0.00 H new ATOM 1085 N LEU A 74 -5.894 -3.275 4.187 1.00 0.00 N ATOM 1086 CA LEU A 74 -5.862 -2.759 5.551 1.00 0.00 C ATOM 1087 C LEU A 74 -6.829 -3.527 6.446 1.00 0.00 C ATOM 1088 O LEU A 74 -6.421 -4.156 7.422 1.00 0.00 O ATOM 1089 CB LEU A 74 -6.212 -1.270 5.562 1.00 0.00 C ATOM 1090 CG LEU A 74 -5.278 -0.355 4.768 1.00 0.00 C ATOM 1091 CD1 LEU A 74 -5.832 1.060 4.720 1.00 0.00 C ATOM 1092 CD2 LEU A 74 -3.882 -0.364 5.373 1.00 0.00 C ATOM 0 H LEU A 74 -6.125 -2.579 3.478 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.852 -2.891 5.940 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.223 -1.152 5.171 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.229 -0.929 6.597 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.212 -0.732 3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.155 1.697 4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.811 1.051 4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.929 1.448 5.734 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.231 0.292 4.795 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.930 -0.012 6.404 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.484 -1.378 5.354 1.00 0.00 H new ATOM 1104 N ALA A 75 -8.113 -3.472 6.106 1.00 0.00 N ATOM 1105 CA ALA A 75 -9.137 -4.165 6.876 1.00 0.00 C ATOM 1106 C ALA A 75 -8.764 -5.628 7.095 1.00 0.00 C ATOM 1107 O ALA A 75 -9.136 -6.229 8.102 1.00 0.00 O ATOM 1108 CB ALA A 75 -10.485 -4.061 6.177 1.00 0.00 C ATOM 0 H ALA A 75 -8.468 -2.954 5.302 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.208 -3.685 7.852 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.240 -4.583 6.764 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.764 -3.012 6.078 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.418 -4.513 5.187 1.00 0.00 H new ATOM 1114 N ALA A 76 -8.028 -6.194 6.145 1.00 0.00 N ATOM 1115 CA ALA A 76 -7.604 -7.586 6.234 1.00 0.00 C ATOM 1116 C ALA A 76 -6.319 -7.717 7.045 1.00 0.00 C ATOM 1117 O ALA A 76 -6.066 -8.751 7.663 1.00 0.00 O ATOM 1118 CB ALA A 76 -7.413 -8.170 4.843 1.00 0.00 C ATOM 0 H ALA A 76 -7.713 -5.710 5.304 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.386 -8.146 6.747 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.096 -9.210 4.925 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.354 -8.119 4.295 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.652 -7.600 4.310 1.00 0.00 H new ATOM 1124 N ALA A 77 -5.510 -6.662 7.038 1.00 0.00 N ATOM 1125 CA ALA A 77 -4.252 -6.659 7.775 1.00 0.00 C ATOM 1126 C ALA A 77 -4.491 -6.474 9.269 1.00 0.00 C ATOM 1127 O ALA A 77 -3.730 -6.976 10.096 1.00 0.00 O ATOM 1128 CB ALA A 77 -3.334 -5.568 7.246 1.00 0.00 C ATOM 0 H ALA A 77 -5.703 -5.799 6.530 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.771 -7.626 7.628 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.398 -5.577 7.805 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.128 -5.746 6.191 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.817 -4.598 7.363 1.00 0.00 H new ATOM 1134 N SER A 78 -5.552 -5.750 9.609 1.00 0.00 N ATOM 1135 CA SER A 78 -5.889 -5.495 11.005 1.00 0.00 C ATOM 1136 C SER A 78 -6.730 -6.631 11.577 1.00 0.00 C ATOM 1137 O SER A 78 -7.820 -6.922 11.084 1.00 0.00 O ATOM 1138 CB SER A 78 -6.644 -4.171 11.136 1.00 0.00 C ATOM 1139 OG SER A 78 -6.468 -3.608 12.424 1.00 0.00 O ATOM 0 H SER A 78 -6.194 -5.329 8.937 1.00 0.00 H new ATOM 0 HA SER A 78 -4.960 -5.433 11.572 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.291 -3.471 10.379 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.705 -4.334 10.949 1.00 0.00 H new ATOM 0 HG SER A 78 -6.959 -2.762 12.481 1.00 0.00 H new ATOM 1225 N LEU A 86 -3.516 -10.370 8.696 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.546 -11.040 7.837 1.00 0.00 C ATOM 1227 C LEU A 86 -1.254 -11.326 8.595 1.00 0.00 C ATOM 1228 O LEU A 86 -0.810 -10.521 9.414 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.249 -10.184 6.605 1.00 0.00 C ATOM 1230 CG LEU A 86 -3.159 -10.409 5.396 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -4.574 -9.942 5.699 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -2.608 -9.689 4.174 1.00 0.00 C ATOM 0 HA LEU A 86 -2.976 -11.989 7.517 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.313 -9.135 6.892 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.219 -10.368 6.299 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.189 -11.477 5.181 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.207 -10.110 4.828 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.968 -10.502 6.547 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.563 -8.879 5.940 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.267 -9.860 3.323 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.548 -8.620 4.378 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.613 -10.071 3.944 1.00 0.00 H new ATOM 1244 N LYS A 87 -0.652 -12.477 8.315 1.00 0.00 N ATOM 1245 CA LYS A 87 0.592 -12.869 8.967 1.00 0.00 C ATOM 1246 C LYS A 87 1.544 -13.526 7.972 1.00 0.00 C ATOM 1247 O LYS A 87 1.174 -14.471 7.274 1.00 0.00 O ATOM 1248 CB LYS A 87 0.305 -13.827 10.124 1.00 0.00 C ATOM 1249 CG LYS A 87 -0.420 -13.175 11.289 1.00 0.00 C ATOM 1250 CD LYS A 87 -0.065 -13.838 12.609 1.00 0.00 C ATOM 1251 CE LYS A 87 -1.048 -13.459 13.705 1.00 0.00 C ATOM 1252 NZ LYS A 87 -0.611 -13.957 15.039 1.00 0.00 N ATOM 0 H LYS A 87 -1.006 -13.155 7.640 1.00 0.00 H new ATOM 0 HA LYS A 87 1.068 -11.970 9.358 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.294 -14.660 9.755 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.246 -14.245 10.481 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.163 -12.117 11.332 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.496 -13.236 11.128 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.058 -14.921 12.483 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.942 -13.545 12.905 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -1.154 -12.375 13.739 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.030 -13.868 13.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.308 -13.678 15.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.535 -14.994 15.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.315 -13.547 15.276 1.00 0.00 H new ATOM 1266 N LEU A 88 2.772 -13.022 7.913 1.00 0.00 N ATOM 1267 CA LEU A 88 3.778 -13.561 7.005 1.00 0.00 C ATOM 1268 C LEU A 88 4.830 -14.358 7.770 1.00 0.00 C ATOM 1269 O LEU A 88 5.762 -13.790 8.337 1.00 0.00 O ATOM 1270 CB LEU A 88 4.447 -12.430 6.224 1.00 0.00 C ATOM 1271 CG LEU A 88 5.055 -12.814 4.874 1.00 0.00 C ATOM 1272 CD1 LEU A 88 3.976 -12.898 3.807 1.00 0.00 C ATOM 1273 CD2 LEU A 88 6.131 -11.816 4.470 1.00 0.00 C ATOM 0 H LEU A 88 3.095 -12.241 8.484 1.00 0.00 H new ATOM 0 HA LEU A 88 3.279 -14.231 6.305 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.710 -11.645 6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.234 -12.002 6.846 1.00 0.00 H new ATOM 0 HG LEU A 88 5.517 -13.796 4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.428 -13.172 2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.242 -13.652 4.091 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.484 -11.930 3.710 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.552 -12.105 3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.693 -10.821 4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.919 -11.806 5.223 1.00 0.00 H new ATOM 1285 N ASP A 89 4.674 -15.678 7.778 1.00 0.00 N ATOM 1286 CA ASP A 89 5.613 -16.554 8.470 1.00 0.00 C ATOM 1287 C ASP A 89 5.466 -16.421 9.982 1.00 0.00 C ATOM 1288 O ASP A 89 6.453 -16.442 10.716 1.00 0.00 O ATOM 1289 CB ASP A 89 7.048 -16.229 8.053 1.00 0.00 C ATOM 1290 CG ASP A 89 7.985 -17.407 8.237 1.00 0.00 C ATOM 1291 OD1 ASP A 89 7.755 -18.454 7.597 1.00 0.00 O ATOM 1292 OD2 ASP A 89 8.948 -17.281 9.021 1.00 0.00 O ATOM 0 H ASP A 89 3.907 -16.164 7.314 1.00 0.00 H new ATOM 0 HA ASP A 89 5.386 -17.583 8.191 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.058 -15.920 7.008 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.411 -15.385 8.639 1.00 0.00 H new ATOM 1297 N GLY A 90 4.226 -16.283 10.442 1.00 0.00 N ATOM 1298 CA GLY A 90 3.973 -16.148 11.864 1.00 0.00 C ATOM 1299 C GLY A 90 4.245 -14.745 12.371 1.00 0.00 C ATOM 1300 O GLY A 90 4.249 -14.503 13.578 1.00 0.00 O ATOM 0 H GLY A 90 3.392 -16.262 9.855 1.00 0.00 H new ATOM 0 HA2 GLY A 90 2.936 -16.411 12.072 1.00 0.00 H new ATOM 0 HA3 GLY A 90 4.597 -16.856 12.410 1.00 0.00 H new ATOM 1304 N ARG A 91 4.474 -13.818 11.446 1.00 0.00 N ATOM 1305 CA ARG A 91 4.751 -12.432 11.806 1.00 0.00 C ATOM 1306 C ARG A 91 3.594 -11.524 11.399 1.00 0.00 C ATOM 1307 O ARG A 91 3.270 -11.408 10.218 1.00 0.00 O ATOM 1308 CB ARG A 91 6.044 -11.959 11.139 1.00 0.00 C ATOM 1309 CG ARG A 91 7.303 -12.436 11.845 1.00 0.00 C ATOM 1310 CD ARG A 91 7.746 -11.453 12.918 1.00 0.00 C ATOM 1311 NE ARG A 91 8.603 -12.084 13.918 1.00 0.00 N ATOM 1312 CZ ARG A 91 8.186 -13.029 14.753 1.00 0.00 C ATOM 1313 NH1 ARG A 91 6.929 -13.450 14.709 1.00 0.00 N ATOM 1314 NH2 ARG A 91 9.026 -13.555 15.635 1.00 0.00 N ATOM 0 H ARG A 91 4.473 -14.001 10.443 1.00 0.00 H new ATOM 0 HA ARG A 91 4.868 -12.379 12.888 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.061 -12.311 10.107 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.048 -10.870 11.104 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.121 -13.411 12.296 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.103 -12.566 11.116 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.281 -10.625 12.453 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.868 -11.031 13.407 1.00 0.00 H new ATOM 0 HE ARG A 91 9.575 -11.782 13.979 1.00 0.00 H new ATOM 0 HH11 ARG A 91 6.280 -13.048 14.033 1.00 0.00 H new ATOM 0 HH12 ARG A 91 6.611 -14.176 15.351 1.00 0.00 H new ATOM 0 HH21 ARG A 91 9.993 -13.234 15.672 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.704 -14.281 16.276 1.00 0.00 H new ATOM 1328 N GLN A 92 2.977 -10.883 12.386 1.00 0.00 N ATOM 1329 CA GLN A 92 1.856 -9.986 12.131 1.00 0.00 C ATOM 1330 C GLN A 92 2.284 -8.818 11.248 1.00 0.00 C ATOM 1331 O GLN A 92 3.214 -8.082 11.581 1.00 0.00 O ATOM 1332 CB GLN A 92 1.284 -9.461 13.449 1.00 0.00 C ATOM 1333 CG GLN A 92 -0.206 -9.170 13.393 1.00 0.00 C ATOM 1334 CD GLN A 92 -0.529 -7.934 12.576 1.00 0.00 C ATOM 1335 OE1 GLN A 92 0.175 -6.926 12.649 1.00 0.00 O ATOM 1336 NE2 GLN A 92 -1.598 -8.004 11.792 1.00 0.00 N ATOM 0 H GLN A 92 3.234 -10.968 13.369 1.00 0.00 H new ATOM 0 HA GLN A 92 1.084 -10.550 11.608 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.473 -10.193 14.234 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.813 -8.550 13.728 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.724 -10.029 12.966 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.585 -9.040 14.407 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.153 -8.859 11.762 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.864 -7.203 11.220 1.00 0.00 H new ATOM 1345 N LEU A 93 1.600 -8.653 10.121 1.00 0.00 N ATOM 1346 CA LEU A 93 1.909 -7.575 9.189 1.00 0.00 C ATOM 1347 C LEU A 93 0.986 -6.381 9.413 1.00 0.00 C ATOM 1348 O LEU A 93 -0.236 -6.527 9.461 1.00 0.00 O ATOM 1349 CB LEU A 93 1.782 -8.068 7.747 1.00 0.00 C ATOM 1350 CG LEU A 93 2.451 -9.408 7.435 1.00 0.00 C ATOM 1351 CD1 LEU A 93 2.148 -9.836 6.007 1.00 0.00 C ATOM 1352 CD2 LEU A 93 3.953 -9.319 7.660 1.00 0.00 C ATOM 0 H LEU A 93 0.827 -9.252 9.831 1.00 0.00 H new ATOM 0 HA LEU A 93 2.936 -7.257 9.368 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.723 -8.148 7.503 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.205 -7.311 7.087 1.00 0.00 H new ATOM 0 HG LEU A 93 2.047 -10.161 8.112 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.632 -10.791 5.803 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.071 -9.941 5.879 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.524 -9.083 5.314 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.413 -10.281 7.433 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.374 -8.553 7.008 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.150 -9.059 8.700 1.00 0.00 H new ATOM 1364 N LYS A 94 1.578 -5.199 9.547 1.00 0.00 N ATOM 1365 CA LYS A 94 0.810 -3.978 9.762 1.00 0.00 C ATOM 1366 C LYS A 94 0.780 -3.125 8.498 1.00 0.00 C ATOM 1367 O LYS A 94 1.749 -2.437 8.177 1.00 0.00 O ATOM 1368 CB LYS A 94 1.406 -3.173 10.919 1.00 0.00 C ATOM 1369 CG LYS A 94 0.852 -3.561 12.279 1.00 0.00 C ATOM 1370 CD LYS A 94 1.225 -2.543 13.344 1.00 0.00 C ATOM 1371 CE LYS A 94 0.990 -3.090 14.743 1.00 0.00 C ATOM 1372 NZ LYS A 94 -0.422 -2.911 15.180 1.00 0.00 N ATOM 0 H LYS A 94 2.588 -5.061 9.510 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.212 -4.261 10.013 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.488 -3.307 10.925 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.217 -2.113 10.748 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.233 -3.646 12.220 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.234 -4.542 12.562 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.273 -2.265 13.232 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.638 -1.636 13.203 1.00 0.00 H new ATOM 0 HE2 LYS A 94 1.245 -4.149 14.766 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.654 -2.587 15.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.540 -3.297 16.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -0.659 -1.898 15.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -1.055 -3.413 14.524 1.00 0.00 H new ATOM 1386 N VAL A 95 -0.340 -3.173 7.783 1.00 0.00 N ATOM 1387 CA VAL A 95 -0.498 -2.403 6.555 1.00 0.00 C ATOM 1388 C VAL A 95 -1.233 -1.093 6.819 1.00 0.00 C ATOM 1389 O VAL A 95 -2.320 -1.085 7.396 1.00 0.00 O ATOM 1390 CB VAL A 95 -1.264 -3.203 5.485 1.00 0.00 C ATOM 1391 CG1 VAL A 95 -1.280 -2.449 4.164 1.00 0.00 C ATOM 1392 CG2 VAL A 95 -0.651 -4.584 5.313 1.00 0.00 C ATOM 0 H VAL A 95 -1.152 -3.738 8.034 1.00 0.00 H new ATOM 0 HA VAL A 95 0.504 -2.186 6.186 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.295 -3.327 5.817 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.826 -3.030 3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.769 -1.485 4.301 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.257 -2.292 3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.205 -5.136 4.553 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.389 -4.484 5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.698 -5.123 6.259 1.00 0.00 H new ATOM 1402 N ASP A 96 -0.632 0.012 6.392 1.00 0.00 N ATOM 1403 CA ASP A 96 -1.231 1.328 6.580 1.00 0.00 C ATOM 1404 C ASP A 96 -1.005 2.208 5.354 1.00 0.00 C ATOM 1405 O ASP A 96 0.060 2.168 4.735 1.00 0.00 O ATOM 1406 CB ASP A 96 -0.648 2.004 7.822 1.00 0.00 C ATOM 1407 CG ASP A 96 -0.892 3.501 7.835 1.00 0.00 C ATOM 1408 OD1 ASP A 96 -2.017 3.915 8.183 1.00 0.00 O ATOM 1409 OD2 ASP A 96 0.043 4.257 7.498 1.00 0.00 O ATOM 0 H ASP A 96 0.269 0.023 5.914 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.304 1.195 6.717 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -1.088 1.559 8.715 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.424 1.813 7.866 1.00 0.00 H new ATOM 1414 N LEU A 97 -2.013 3.000 5.007 1.00 0.00 N ATOM 1415 CA LEU A 97 -1.926 3.889 3.854 1.00 0.00 C ATOM 1416 C LEU A 97 -0.816 4.919 4.042 1.00 0.00 C ATOM 1417 O LEU A 97 -0.997 5.922 4.732 1.00 0.00 O ATOM 1418 CB LEU A 97 -3.262 4.599 3.629 1.00 0.00 C ATOM 1419 CG LEU A 97 -3.434 5.296 2.279 1.00 0.00 C ATOM 1420 CD1 LEU A 97 -2.103 5.847 1.790 1.00 0.00 C ATOM 1421 CD2 LEU A 97 -4.025 4.338 1.255 1.00 0.00 C ATOM 0 H LEU A 97 -2.901 3.045 5.508 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.691 3.284 2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.062 3.868 3.742 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.394 5.340 4.417 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.124 6.130 2.407 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.244 6.340 0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.719 6.567 2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.390 5.030 1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.140 4.851 0.300 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.360 3.484 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -4.999 3.992 1.601 1.00 0.00 H new ATOM 1433 N ALA A 98 0.332 4.664 3.424 1.00 0.00 N ATOM 1434 CA ALA A 98 1.470 5.570 3.520 1.00 0.00 C ATOM 1435 C ALA A 98 1.296 6.770 2.595 1.00 0.00 C ATOM 1436 O ALA A 98 0.657 6.671 1.548 1.00 0.00 O ATOM 1437 CB ALA A 98 2.761 4.833 3.195 1.00 0.00 C ATOM 0 H ALA A 98 0.499 3.837 2.851 1.00 0.00 H new ATOM 0 HA ALA A 98 1.524 5.939 4.544 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.602 5.522 3.271 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.899 4.013 3.900 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.708 4.435 2.182 1.00 0.00 H new ATOM 1443 N VAL A 99 1.867 7.903 2.990 1.00 0.00 N ATOM 1444 CA VAL A 99 1.776 9.123 2.196 1.00 0.00 C ATOM 1445 C VAL A 99 3.050 9.352 1.391 1.00 0.00 C ATOM 1446 O VAL A 99 3.961 8.523 1.400 1.00 0.00 O ATOM 1447 CB VAL A 99 1.514 10.353 3.084 1.00 0.00 C ATOM 1448 CG1 VAL A 99 0.265 10.147 3.928 1.00 0.00 C ATOM 1449 CG2 VAL A 99 2.721 10.639 3.965 1.00 0.00 C ATOM 0 H VAL A 99 2.398 8.002 3.855 1.00 0.00 H new ATOM 0 HA VAL A 99 0.937 8.993 1.512 1.00 0.00 H new ATOM 0 HB VAL A 99 1.349 11.217 2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.096 11.027 4.549 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -0.594 9.993 3.275 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.397 9.273 4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.519 11.511 4.586 1.00 0.00 H new ATOM 0 HG22 VAL A 99 2.918 9.777 4.603 1.00 0.00 H new ATOM 0 HG23 VAL A 99 3.591 10.833 3.338 1.00 0.00 H new