USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 652 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 594 HIS : no HD1:sc= -0.0279 X(o=-0.028,f=0) USER MOD Single : A 596 THR OG1 : rot 180:sc= -0.0579 USER MOD Single : A 597 GLN : amide:sc= 0.561 K(o=0.56,f=-9.3!) USER MOD Single : A 601 SER OG : rot -3:sc= -0.179 USER MOD Single : A 602 HIS : no HD1:sc= -0.0419 X(o=-0.042,f=0) USER MOD Single : A 605 HIS :FLIP no HE2:sc= 0.527 F(o=-1.7!,f=0.53) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 609 GLN :FLIP amide:sc= 0 F(o=-0.61,f=0) USER MOD Single : A 614 THR OG1 : rot 50:sc= 0.193 USER MOD Single : A 621 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 625 MET CE :methyl 162:sc= -0.543 (180deg=-0.991) USER MOD Single : A 627 ASN : amide:sc= -1.15 X(o=-1.1,f=-0.89) USER MOD Single : A 631 TYR OH : rot 180:sc= 0 USER MOD Single : A 633 LYS NZ :NH3+ 165:sc= -0.0565 (180deg=-0.35) USER MOD Single : A 634 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0604) USER MOD Single : A 639 MET CE :methyl 148:sc= -1.69 (180deg=-4.47!) USER MOD Single : A 640 TYR OH : rot 180:sc= 0 USER MOD Single : A 642 SER OG : rot -24:sc= 0.681 USER MOD Single : A 644 ASN :FLIP amide:sc= -0.0657 F(o=-1.3!,f=-0.066) USER MOD Single : A 645 SER OG : rot 180:sc= 0 USER MOD Single : A 649 TYR OH : rot 30:sc=-0.00196 USER MOD Single : A 650 TYR OH : rot 180:sc= -0.539 USER MOD Single : A 651 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 656 LYS NZ :NH3+ 177:sc= 1.31 (180deg=1.18) USER MOD Single : A 658 TYR OH : rot 180:sc= 0 USER MOD Single : A 659 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00487) USER MOD Single : A 661 GLN : amide:sc= -0.783 K(o=-0.78,f=-1.8!) USER MOD Single : A 662 LYS NZ :NH3+ -164:sc= -1.25 (180deg=-2.08!) USER MOD Single : B 847 SER OG : rot 180:sc= 0 USER MOD Single : B 850 MET CE :methyl 158:sc= -1.52 (180deg=-2.01!) USER MOD ----------------------------------------------------------------- ATOM 134 N HIS A 594 21.000 -0.685 -2.979 1.00 0.00 N ATOM 135 CA HIS A 594 20.566 -0.826 -4.372 1.00 0.00 C ATOM 136 C HIS A 594 19.061 -0.596 -4.538 1.00 0.00 C ATOM 137 O HIS A 594 18.441 -1.130 -5.454 1.00 0.00 O ATOM 138 CB HIS A 594 20.967 -2.203 -4.932 1.00 0.00 C ATOM 139 CG HIS A 594 20.550 -3.366 -4.078 1.00 0.00 C ATOM 140 ND1 HIS A 594 21.449 -4.147 -3.381 1.00 0.00 N ATOM 141 CD2 HIS A 594 19.325 -3.881 -3.811 1.00 0.00 C ATOM 142 CE1 HIS A 594 20.796 -5.088 -2.726 1.00 0.00 C ATOM 143 NE2 HIS A 594 19.508 -4.948 -2.969 1.00 0.00 N ATOM 0 HA HIS A 594 21.076 -0.051 -4.944 1.00 0.00 H new ATOM 0 HB2 HIS A 594 20.529 -2.320 -5.923 1.00 0.00 H new ATOM 0 HB3 HIS A 594 22.049 -2.230 -5.057 1.00 0.00 H new ATOM 0 HD2 HIS A 594 18.381 -3.519 -4.190 1.00 0.00 H new ATOM 0 HE1 HIS A 594 21.241 -5.845 -2.097 1.00 0.00 H new ATOM 0 HE2 HIS A 594 18.767 -5.538 -2.592 1.00 0.00 H new ATOM 152 N VAL A 595 18.481 0.181 -3.637 1.00 0.00 N ATOM 153 CA VAL A 595 17.105 0.629 -3.768 1.00 0.00 C ATOM 154 C VAL A 595 17.055 2.140 -3.585 1.00 0.00 C ATOM 155 O VAL A 595 17.668 2.674 -2.657 1.00 0.00 O ATOM 156 CB VAL A 595 16.181 -0.026 -2.718 1.00 0.00 C ATOM 157 CG1 VAL A 595 14.769 0.553 -2.785 1.00 0.00 C ATOM 158 CG2 VAL A 595 16.144 -1.537 -2.877 1.00 0.00 C ATOM 0 H VAL A 595 18.950 0.518 -2.796 1.00 0.00 H new ATOM 0 HA VAL A 595 16.754 0.340 -4.758 1.00 0.00 H new ATOM 0 HB VAL A 595 16.596 0.201 -1.736 1.00 0.00 H new ATOM 0 HG11 VAL A 595 14.142 0.072 -2.034 1.00 0.00 H new ATOM 0 HG12 VAL A 595 14.806 1.625 -2.594 1.00 0.00 H new ATOM 0 HG13 VAL A 595 14.350 0.375 -3.775 1.00 0.00 H new ATOM 0 HG21 VAL A 595 15.485 -1.966 -2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 595 15.772 -1.789 -3.870 1.00 0.00 H new ATOM 0 HG23 VAL A 595 17.149 -1.941 -2.753 1.00 0.00 H new ATOM 168 N THR A 596 16.360 2.834 -4.468 1.00 0.00 N ATOM 169 CA THR A 596 16.193 4.268 -4.327 1.00 0.00 C ATOM 170 C THR A 596 14.902 4.601 -3.584 1.00 0.00 C ATOM 171 O THR A 596 13.974 3.787 -3.537 1.00 0.00 O ATOM 172 CB THR A 596 16.225 4.971 -5.706 1.00 0.00 C ATOM 173 OG1 THR A 596 15.868 6.353 -5.583 1.00 0.00 O ATOM 174 CG2 THR A 596 15.296 4.283 -6.694 1.00 0.00 C ATOM 0 H THR A 596 15.904 2.430 -5.286 1.00 0.00 H new ATOM 0 HA THR A 596 17.030 4.641 -3.736 1.00 0.00 H new ATOM 0 HB THR A 596 17.245 4.904 -6.085 1.00 0.00 H new ATOM 0 HG1 THR A 596 15.896 6.778 -6.466 1.00 0.00 H new ATOM 0 HG21 THR A 596 15.339 4.798 -7.653 1.00 0.00 H new ATOM 0 HG22 THR A 596 15.607 3.246 -6.825 1.00 0.00 H new ATOM 0 HG23 THR A 596 14.275 4.310 -6.313 1.00 0.00 H new ATOM 182 N GLN A 597 14.852 5.792 -3.001 1.00 0.00 N ATOM 183 CA GLN A 597 13.677 6.249 -2.272 1.00 0.00 C ATOM 184 C GLN A 597 12.488 6.318 -3.220 1.00 0.00 C ATOM 185 O GLN A 597 11.368 5.948 -2.866 1.00 0.00 O ATOM 186 CB GLN A 597 13.937 7.627 -1.658 1.00 0.00 C ATOM 187 CG GLN A 597 12.817 8.127 -0.758 1.00 0.00 C ATOM 188 CD GLN A 597 12.801 7.457 0.604 1.00 0.00 C ATOM 189 OE1 GLN A 597 13.209 6.305 0.757 1.00 0.00 O ATOM 190 NE2 GLN A 597 12.330 8.181 1.607 1.00 0.00 N ATOM 0 H GLN A 597 15.619 6.464 -3.020 1.00 0.00 H new ATOM 0 HA GLN A 597 13.459 5.546 -1.468 1.00 0.00 H new ATOM 0 HB2 GLN A 597 14.861 7.588 -1.082 1.00 0.00 H new ATOM 0 HB3 GLN A 597 14.092 8.347 -2.461 1.00 0.00 H new ATOM 0 HG2 GLN A 597 12.920 9.204 -0.625 1.00 0.00 H new ATOM 0 HG3 GLN A 597 11.860 7.957 -1.251 1.00 0.00 H new ATOM 0 HE21 GLN A 597 12.001 9.132 1.439 1.00 0.00 H new ATOM 0 HE22 GLN A 597 12.296 7.788 2.548 1.00 0.00 H new ATOM 199 N ASP A 598 12.765 6.778 -4.436 1.00 0.00 N ATOM 200 CA ASP A 598 11.747 6.924 -5.470 1.00 0.00 C ATOM 201 C ASP A 598 11.039 5.597 -5.729 1.00 0.00 C ATOM 202 O ASP A 598 9.821 5.563 -5.928 1.00 0.00 O ATOM 203 CB ASP A 598 12.367 7.452 -6.767 1.00 0.00 C ATOM 204 CG ASP A 598 11.334 7.693 -7.847 1.00 0.00 C ATOM 205 OD1 ASP A 598 10.745 8.796 -7.876 1.00 0.00 O ATOM 206 OD2 ASP A 598 11.100 6.785 -8.668 1.00 0.00 O ATOM 0 H ASP A 598 13.700 7.060 -4.732 1.00 0.00 H new ATOM 0 HA ASP A 598 11.010 7.645 -5.115 1.00 0.00 H new ATOM 0 HB2 ASP A 598 12.896 8.382 -6.561 1.00 0.00 H new ATOM 0 HB3 ASP A 598 13.107 6.738 -7.129 1.00 0.00 H new ATOM 211 N LEU A 599 11.807 4.508 -5.731 1.00 0.00 N ATOM 212 CA LEU A 599 11.255 3.177 -5.924 1.00 0.00 C ATOM 213 C LEU A 599 10.199 2.869 -4.869 1.00 0.00 C ATOM 214 O LEU A 599 9.078 2.478 -5.196 1.00 0.00 O ATOM 215 CB LEU A 599 12.369 2.119 -5.860 1.00 0.00 C ATOM 216 CG LEU A 599 11.970 0.752 -6.405 1.00 0.00 C ATOM 217 CD1 LEU A 599 11.689 0.855 -7.890 1.00 0.00 C ATOM 218 CD2 LEU A 599 13.054 -0.276 -6.134 1.00 0.00 C ATOM 0 H LEU A 599 12.818 4.527 -5.600 1.00 0.00 H new ATOM 0 HA LEU A 599 10.788 3.148 -6.908 1.00 0.00 H new ATOM 0 HB2 LEU A 599 13.231 2.482 -6.419 1.00 0.00 H new ATOM 0 HB3 LEU A 599 12.686 2.005 -4.823 1.00 0.00 H new ATOM 0 HG LEU A 599 11.064 0.423 -5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 599 11.404 -0.124 -8.275 1.00 0.00 H new ATOM 0 HD12 LEU A 599 10.876 1.562 -8.058 1.00 0.00 H new ATOM 0 HD13 LEU A 599 12.584 1.202 -8.406 1.00 0.00 H new ATOM 0 HD21 LEU A 599 12.746 -1.243 -6.532 1.00 0.00 H new ATOM 0 HD22 LEU A 599 13.980 0.037 -6.616 1.00 0.00 H new ATOM 0 HD23 LEU A 599 13.215 -0.361 -5.059 1.00 0.00 H new ATOM 230 N ARG A 600 10.554 3.075 -3.608 1.00 0.00 N ATOM 231 CA ARG A 600 9.651 2.778 -2.504 1.00 0.00 C ATOM 232 C ARG A 600 8.431 3.689 -2.517 1.00 0.00 C ATOM 233 O ARG A 600 7.300 3.223 -2.374 1.00 0.00 O ATOM 234 CB ARG A 600 10.370 2.886 -1.160 1.00 0.00 C ATOM 235 CG ARG A 600 11.505 1.888 -0.996 1.00 0.00 C ATOM 236 CD ARG A 600 11.901 1.731 0.462 1.00 0.00 C ATOM 237 NE ARG A 600 12.323 2.996 1.060 1.00 0.00 N ATOM 238 CZ ARG A 600 12.045 3.362 2.311 1.00 0.00 C ATOM 239 NH1 ARG A 600 11.345 2.563 3.108 1.00 0.00 N ATOM 240 NH2 ARG A 600 12.461 4.535 2.762 1.00 0.00 N ATOM 0 H ARG A 600 11.461 3.446 -3.324 1.00 0.00 H new ATOM 0 HA ARG A 600 9.311 1.751 -2.637 1.00 0.00 H new ATOM 0 HB2 ARG A 600 10.766 3.895 -1.049 1.00 0.00 H new ATOM 0 HB3 ARG A 600 9.647 2.737 -0.358 1.00 0.00 H new ATOM 0 HG2 ARG A 600 11.202 0.921 -1.398 1.00 0.00 H new ATOM 0 HG3 ARG A 600 12.368 2.218 -1.575 1.00 0.00 H new ATOM 0 HD2 ARG A 600 11.058 1.329 1.024 1.00 0.00 H new ATOM 0 HD3 ARG A 600 12.711 1.006 0.540 1.00 0.00 H new ATOM 0 HE ARG A 600 12.865 3.640 0.483 1.00 0.00 H new ATOM 0 HH11 ARG A 600 11.015 1.661 2.764 1.00 0.00 H new ATOM 0 HH12 ARG A 600 11.137 2.851 4.064 1.00 0.00 H new ATOM 0 HH21 ARG A 600 12.993 5.156 2.152 1.00 0.00 H new ATOM 0 HH22 ARG A 600 12.250 4.818 3.719 1.00 0.00 H new ATOM 254 N SER A 601 8.658 4.981 -2.719 1.00 0.00 N ATOM 255 CA SER A 601 7.581 5.956 -2.673 1.00 0.00 C ATOM 256 C SER A 601 6.568 5.705 -3.789 1.00 0.00 C ATOM 257 O SER A 601 5.359 5.825 -3.576 1.00 0.00 O ATOM 258 CB SER A 601 8.140 7.382 -2.739 1.00 0.00 C ATOM 259 OG SER A 601 9.001 7.555 -3.852 1.00 0.00 O ATOM 0 H SER A 601 9.578 5.375 -2.916 1.00 0.00 H new ATOM 0 HA SER A 601 7.059 5.844 -1.723 1.00 0.00 H new ATOM 0 HB2 SER A 601 7.317 8.093 -2.801 1.00 0.00 H new ATOM 0 HB3 SER A 601 8.683 7.603 -1.820 1.00 0.00 H new ATOM 0 HG SER A 601 9.097 6.703 -4.327 1.00 0.00 H new ATOM 265 N HIS A 602 7.068 5.352 -4.974 1.00 0.00 N ATOM 266 CA HIS A 602 6.203 5.021 -6.110 1.00 0.00 C ATOM 267 C HIS A 602 5.266 3.873 -5.740 1.00 0.00 C ATOM 268 O HIS A 602 4.071 3.906 -6.035 1.00 0.00 O ATOM 269 CB HIS A 602 7.035 4.627 -7.341 1.00 0.00 C ATOM 270 CG HIS A 602 6.256 4.621 -8.625 1.00 0.00 C ATOM 271 ND1 HIS A 602 6.455 5.543 -9.629 1.00 0.00 N ATOM 272 CD2 HIS A 602 5.282 3.790 -9.072 1.00 0.00 C ATOM 273 CE1 HIS A 602 5.640 5.282 -10.632 1.00 0.00 C ATOM 274 NE2 HIS A 602 4.918 4.225 -10.320 1.00 0.00 N ATOM 0 H HIS A 602 8.066 5.288 -5.173 1.00 0.00 H new ATOM 0 HA HIS A 602 5.617 5.907 -6.355 1.00 0.00 H new ATOM 0 HB2 HIS A 602 7.872 5.319 -7.438 1.00 0.00 H new ATOM 0 HB3 HIS A 602 7.458 3.636 -7.179 1.00 0.00 H new ATOM 0 HD2 HIS A 602 4.870 2.943 -8.543 1.00 0.00 H new ATOM 0 HE1 HIS A 602 5.575 5.841 -11.554 1.00 0.00 H new ATOM 0 HE2 HIS A 602 4.204 3.799 -10.911 1.00 0.00 H new ATOM 283 N LEU A 603 5.828 2.869 -5.079 1.00 0.00 N ATOM 284 CA LEU A 603 5.086 1.679 -4.672 1.00 0.00 C ATOM 285 C LEU A 603 3.988 2.020 -3.670 1.00 0.00 C ATOM 286 O LEU A 603 2.914 1.419 -3.686 1.00 0.00 O ATOM 287 CB LEU A 603 6.036 0.628 -4.101 1.00 0.00 C ATOM 288 CG LEU A 603 7.131 0.171 -5.072 1.00 0.00 C ATOM 289 CD1 LEU A 603 8.161 -0.687 -4.362 1.00 0.00 C ATOM 290 CD2 LEU A 603 6.524 -0.590 -6.242 1.00 0.00 C ATOM 0 H LEU A 603 6.812 2.855 -4.809 1.00 0.00 H new ATOM 0 HA LEU A 603 4.603 1.266 -5.558 1.00 0.00 H new ATOM 0 HB2 LEU A 603 6.507 1.030 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 603 5.454 -0.241 -3.793 1.00 0.00 H new ATOM 0 HG LEU A 603 7.633 1.059 -5.457 1.00 0.00 H new ATOM 0 HD11 LEU A 603 8.927 -0.999 -5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 603 8.623 -0.112 -3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 603 7.674 -1.568 -3.943 1.00 0.00 H new ATOM 0 HD21 LEU A 603 7.316 -0.906 -6.921 1.00 0.00 H new ATOM 0 HD22 LEU A 603 5.993 -1.466 -5.870 1.00 0.00 H new ATOM 0 HD23 LEU A 603 5.827 0.057 -6.775 1.00 0.00 H new ATOM 302 N VAL A 604 4.266 2.975 -2.793 1.00 0.00 N ATOM 303 CA VAL A 604 3.297 3.396 -1.788 1.00 0.00 C ATOM 304 C VAL A 604 2.036 3.935 -2.462 1.00 0.00 C ATOM 305 O VAL A 604 0.918 3.605 -2.069 1.00 0.00 O ATOM 306 CB VAL A 604 3.885 4.475 -0.856 1.00 0.00 C ATOM 307 CG1 VAL A 604 2.832 5.009 0.101 1.00 0.00 C ATOM 308 CG2 VAL A 604 5.064 3.918 -0.078 1.00 0.00 C ATOM 0 H VAL A 604 5.155 3.474 -2.756 1.00 0.00 H new ATOM 0 HA VAL A 604 3.045 2.523 -1.186 1.00 0.00 H new ATOM 0 HB VAL A 604 4.229 5.302 -1.478 1.00 0.00 H new ATOM 0 HG11 VAL A 604 3.277 5.768 0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 604 2.014 5.450 -0.468 1.00 0.00 H new ATOM 0 HG13 VAL A 604 2.449 4.192 0.713 1.00 0.00 H new ATOM 0 HG21 VAL A 604 5.467 4.692 0.575 1.00 0.00 H new ATOM 0 HG22 VAL A 604 4.735 3.071 0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 604 5.837 3.591 -0.773 1.00 0.00 H new ATOM 318 N HIS A 605 2.233 4.749 -3.497 1.00 0.00 N ATOM 319 CA HIS A 605 1.114 5.294 -4.270 1.00 0.00 C ATOM 320 C HIS A 605 0.296 4.171 -4.889 1.00 0.00 C ATOM 321 O HIS A 605 -0.923 4.266 -4.975 1.00 0.00 O ATOM 322 CB HIS A 605 1.580 6.266 -5.361 1.00 0.00 C ATOM 323 CG HIS A 605 2.095 7.570 -4.830 1.00 0.00 C ATOM 324 ND1 HIS A 605 3.283 7.893 -4.271 1.00 0.00 N flip ATOM 325 CD2 HIS A 605 1.359 8.733 -4.847 1.00 0.00 C flip ATOM 326 CE1 HIS A 605 3.242 9.229 -3.964 1.00 0.00 C flip ATOM 327 NE2 HIS A 605 2.070 9.710 -4.322 1.00 0.00 N flip ATOM 0 H HIS A 605 3.153 5.046 -3.821 1.00 0.00 H new ATOM 0 HA HIS A 605 0.490 5.855 -3.574 1.00 0.00 H new ATOM 0 HB2 HIS A 605 2.364 5.789 -5.949 1.00 0.00 H new ATOM 0 HB3 HIS A 605 0.749 6.463 -6.038 1.00 0.00 H new ATOM 0 HD1 HIS A 605 4.066 7.260 -4.108 1.00 0.00 H new ATOM 0 HD2 HIS A 605 0.354 8.830 -5.231 1.00 0.00 H new ATOM 0 HE1 HIS A 605 4.040 9.793 -3.504 1.00 0.00 H new ATOM 336 N LYS A 606 0.978 3.119 -5.339 1.00 0.00 N ATOM 337 CA LYS A 606 0.310 1.949 -5.899 1.00 0.00 C ATOM 338 C LYS A 606 -0.700 1.381 -4.904 1.00 0.00 C ATOM 339 O LYS A 606 -1.851 1.121 -5.253 1.00 0.00 O ATOM 340 CB LYS A 606 1.336 0.868 -6.255 1.00 0.00 C ATOM 341 CG LYS A 606 2.380 1.313 -7.269 1.00 0.00 C ATOM 342 CD LYS A 606 1.780 1.504 -8.652 1.00 0.00 C ATOM 343 CE LYS A 606 1.336 0.181 -9.259 1.00 0.00 C ATOM 344 NZ LYS A 606 0.788 0.355 -10.627 1.00 0.00 N ATOM 0 H LYS A 606 1.996 3.055 -5.326 1.00 0.00 H new ATOM 0 HA LYS A 606 -0.215 2.259 -6.803 1.00 0.00 H new ATOM 0 HB2 LYS A 606 1.843 0.549 -5.344 1.00 0.00 H new ATOM 0 HB3 LYS A 606 0.810 -0.002 -6.649 1.00 0.00 H new ATOM 0 HG2 LYS A 606 2.833 2.247 -6.938 1.00 0.00 H new ATOM 0 HG3 LYS A 606 3.178 0.572 -7.318 1.00 0.00 H new ATOM 0 HD2 LYS A 606 0.927 2.180 -8.589 1.00 0.00 H new ATOM 0 HD3 LYS A 606 2.514 1.976 -9.305 1.00 0.00 H new ATOM 0 HE2 LYS A 606 2.182 -0.505 -9.292 1.00 0.00 H new ATOM 0 HE3 LYS A 606 0.580 -0.276 -8.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 0.497 -0.569 -11.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 -0.035 0.990 -10.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 1.517 0.767 -11.243 1.00 0.00 H new ATOM 358 N LEU A 607 -0.259 1.203 -3.662 1.00 0.00 N ATOM 359 CA LEU A 607 -1.112 0.661 -2.613 1.00 0.00 C ATOM 360 C LEU A 607 -2.264 1.622 -2.312 1.00 0.00 C ATOM 361 O LEU A 607 -3.408 1.197 -2.138 1.00 0.00 O ATOM 362 CB LEU A 607 -0.279 0.375 -1.356 1.00 0.00 C ATOM 363 CG LEU A 607 -0.917 -0.581 -0.339 1.00 0.00 C ATOM 364 CD1 LEU A 607 0.154 -1.222 0.526 1.00 0.00 C ATOM 365 CD2 LEU A 607 -1.919 0.147 0.541 1.00 0.00 C ATOM 0 H LEU A 607 0.688 1.428 -3.358 1.00 0.00 H new ATOM 0 HA LEU A 607 -1.546 -0.279 -2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 607 0.681 -0.040 -1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 607 -0.071 1.321 -0.857 1.00 0.00 H new ATOM 0 HG LEU A 607 -1.444 -1.357 -0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 607 -0.313 -1.897 1.243 1.00 0.00 H new ATOM 0 HD12 LEU A 607 0.844 -1.783 -0.105 1.00 0.00 H new ATOM 0 HD13 LEU A 607 0.701 -0.446 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 607 -2.356 -0.554 1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 607 -1.414 0.946 1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 607 -2.707 0.572 -0.080 1.00 0.00 H new ATOM 377 N VAL A 608 -1.962 2.918 -2.267 1.00 0.00 N ATOM 378 CA VAL A 608 -2.990 3.939 -2.073 1.00 0.00 C ATOM 379 C VAL A 608 -4.011 3.889 -3.209 1.00 0.00 C ATOM 380 O VAL A 608 -5.218 3.883 -2.974 1.00 0.00 O ATOM 381 CB VAL A 608 -2.370 5.352 -2.002 1.00 0.00 C ATOM 382 CG1 VAL A 608 -3.449 6.422 -1.895 1.00 0.00 C ATOM 383 CG2 VAL A 608 -1.408 5.450 -0.830 1.00 0.00 C ATOM 0 H VAL A 608 -1.015 3.286 -2.362 1.00 0.00 H new ATOM 0 HA VAL A 608 -3.488 3.730 -1.126 1.00 0.00 H new ATOM 0 HB VAL A 608 -1.817 5.524 -2.925 1.00 0.00 H new ATOM 0 HG11 VAL A 608 -2.982 7.406 -1.847 1.00 0.00 H new ATOM 0 HG12 VAL A 608 -4.099 6.371 -2.768 1.00 0.00 H new ATOM 0 HG13 VAL A 608 -4.038 6.255 -0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 608 -0.980 6.452 -0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 608 -1.944 5.251 0.098 1.00 0.00 H new ATOM 0 HG23 VAL A 608 -0.610 4.718 -0.952 1.00 0.00 H new ATOM 393 N GLN A 609 -3.508 3.833 -4.439 1.00 0.00 N ATOM 394 CA GLN A 609 -4.350 3.734 -5.627 1.00 0.00 C ATOM 395 C GLN A 609 -5.233 2.493 -5.555 1.00 0.00 C ATOM 396 O GLN A 609 -6.391 2.514 -5.971 1.00 0.00 O ATOM 397 CB GLN A 609 -3.490 3.687 -6.895 1.00 0.00 C ATOM 398 CG GLN A 609 -4.300 3.653 -8.183 1.00 0.00 C ATOM 399 CD GLN A 609 -3.443 3.413 -9.412 1.00 0.00 C ATOM 400 OE1 GLN A 609 -2.198 3.858 -9.369 1.00 0.00 O flip ATOM 401 NE2 GLN A 609 -3.898 2.826 -10.395 1.00 0.00 N flip ATOM 0 H GLN A 609 -2.508 3.855 -4.640 1.00 0.00 H new ATOM 0 HA GLN A 609 -4.986 4.618 -5.666 1.00 0.00 H new ATOM 0 HB2 GLN A 609 -2.835 4.558 -6.911 1.00 0.00 H new ATOM 0 HB3 GLN A 609 -2.849 2.806 -6.856 1.00 0.00 H new ATOM 0 HG2 GLN A 609 -5.053 2.868 -8.112 1.00 0.00 H new ATOM 0 HG3 GLN A 609 -4.833 4.597 -8.296 1.00 0.00 H new ATOM 0 HE21 GLN A 609 -4.864 2.497 -10.391 1.00 0.00 H new ATOM 0 HE22 GLN A 609 -3.309 2.669 -11.213 1.00 0.00 H new ATOM 410 N ALA A 610 -4.666 1.410 -5.037 1.00 0.00 N ATOM 411 CA ALA A 610 -5.384 0.151 -4.898 1.00 0.00 C ATOM 412 C ALA A 610 -6.620 0.320 -4.021 1.00 0.00 C ATOM 413 O ALA A 610 -7.676 -0.244 -4.314 1.00 0.00 O ATOM 414 CB ALA A 610 -4.470 -0.922 -4.327 1.00 0.00 C ATOM 0 H ALA A 610 -3.702 1.380 -4.704 1.00 0.00 H new ATOM 0 HA ALA A 610 -5.713 -0.162 -5.889 1.00 0.00 H new ATOM 0 HB1 ALA A 610 -5.023 -1.857 -4.230 1.00 0.00 H new ATOM 0 HB2 ALA A 610 -3.621 -1.070 -4.995 1.00 0.00 H new ATOM 0 HB3 ALA A 610 -4.110 -0.609 -3.347 1.00 0.00 H new ATOM 420 N ILE A 611 -6.492 1.103 -2.953 1.00 0.00 N ATOM 421 CA ILE A 611 -7.609 1.325 -2.044 1.00 0.00 C ATOM 422 C ILE A 611 -8.512 2.441 -2.576 1.00 0.00 C ATOM 423 O ILE A 611 -9.729 2.385 -2.416 1.00 0.00 O ATOM 424 CB ILE A 611 -7.126 1.697 -0.586 1.00 0.00 C ATOM 425 CG1 ILE A 611 -6.266 0.583 0.053 1.00 0.00 C ATOM 426 CG2 ILE A 611 -8.298 2.043 0.338 1.00 0.00 C ATOM 427 CD1 ILE A 611 -5.321 1.097 1.119 1.00 0.00 C ATOM 0 H ILE A 611 -5.633 1.590 -2.698 1.00 0.00 H new ATOM 0 HA ILE A 611 -8.165 0.389 -1.988 1.00 0.00 H new ATOM 0 HB ILE A 611 -6.502 2.583 -0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 611 -6.923 -0.168 0.491 1.00 0.00 H new ATOM 0 HG13 ILE A 611 -5.688 0.086 -0.727 1.00 0.00 H new ATOM 0 HG21 ILE A 611 -7.919 2.292 1.329 1.00 0.00 H new ATOM 0 HG22 ILE A 611 -8.841 2.896 -0.068 1.00 0.00 H new ATOM 0 HG23 ILE A 611 -8.969 1.187 0.411 1.00 0.00 H new ATOM 0 HD11 ILE A 611 -4.747 0.266 1.528 1.00 0.00 H new ATOM 0 HD12 ILE A 611 -4.641 1.827 0.681 1.00 0.00 H new ATOM 0 HD13 ILE A 611 -5.895 1.569 1.917 1.00 0.00 H new ATOM 439 N PHE A 612 -7.926 3.432 -3.240 1.00 0.00 N ATOM 440 CA PHE A 612 -8.673 4.605 -3.661 1.00 0.00 C ATOM 441 C PHE A 612 -7.972 5.284 -4.835 1.00 0.00 C ATOM 442 O PHE A 612 -7.071 6.099 -4.639 1.00 0.00 O ATOM 443 CB PHE A 612 -8.808 5.569 -2.479 1.00 0.00 C ATOM 444 CG PHE A 612 -9.820 6.661 -2.673 1.00 0.00 C ATOM 445 CD1 PHE A 612 -11.117 6.365 -3.057 1.00 0.00 C ATOM 446 CD2 PHE A 612 -9.476 7.981 -2.456 1.00 0.00 C ATOM 447 CE1 PHE A 612 -12.049 7.369 -3.222 1.00 0.00 C ATOM 448 CE2 PHE A 612 -10.403 8.990 -2.618 1.00 0.00 C ATOM 449 CZ PHE A 612 -11.692 8.684 -3.002 1.00 0.00 C ATOM 0 H PHE A 612 -6.939 3.444 -3.496 1.00 0.00 H new ATOM 0 HA PHE A 612 -9.668 4.305 -3.990 1.00 0.00 H new ATOM 0 HB2 PHE A 612 -9.076 4.998 -1.590 1.00 0.00 H new ATOM 0 HB3 PHE A 612 -7.836 6.023 -2.285 1.00 0.00 H new ATOM 0 HD1 PHE A 612 -11.402 5.338 -3.229 1.00 0.00 H new ATOM 0 HD2 PHE A 612 -8.468 8.227 -2.156 1.00 0.00 H new ATOM 0 HE1 PHE A 612 -13.057 7.126 -3.523 1.00 0.00 H new ATOM 0 HE2 PHE A 612 -10.120 10.018 -2.444 1.00 0.00 H new ATOM 0 HZ PHE A 612 -12.420 9.471 -3.130 1.00 0.00 H new ATOM 459 N PRO A 613 -8.358 4.948 -6.076 1.00 0.00 N ATOM 460 CA PRO A 613 -7.686 5.478 -7.266 1.00 0.00 C ATOM 461 C PRO A 613 -8.132 6.898 -7.610 1.00 0.00 C ATOM 462 O PRO A 613 -7.323 7.717 -8.044 1.00 0.00 O ATOM 463 CB PRO A 613 -8.092 4.493 -8.371 1.00 0.00 C ATOM 464 CG PRO A 613 -9.405 3.919 -7.926 1.00 0.00 C ATOM 465 CD PRO A 613 -9.461 4.016 -6.415 1.00 0.00 C ATOM 0 HA PRO A 613 -6.608 5.556 -7.124 1.00 0.00 H new ATOM 0 HB2 PRO A 613 -8.189 4.998 -9.332 1.00 0.00 H new ATOM 0 HB3 PRO A 613 -7.343 3.711 -8.496 1.00 0.00 H new ATOM 0 HG2 PRO A 613 -10.234 4.466 -8.375 1.00 0.00 H new ATOM 0 HG3 PRO A 613 -9.497 2.881 -8.246 1.00 0.00 H new ATOM 0 HD2 PRO A 613 -10.424 4.396 -6.075 1.00 0.00 H new ATOM 0 HD3 PRO A 613 -9.319 3.042 -5.947 1.00 0.00 H new ATOM 473 N THR A 614 -9.414 7.187 -7.408 1.00 0.00 N ATOM 474 CA THR A 614 -9.981 8.486 -7.760 1.00 0.00 C ATOM 475 C THR A 614 -9.425 9.617 -6.892 1.00 0.00 C ATOM 476 O THR A 614 -9.618 9.622 -5.675 1.00 0.00 O ATOM 477 CB THR A 614 -11.513 8.455 -7.622 1.00 0.00 C ATOM 478 OG1 THR A 614 -11.863 7.883 -6.355 1.00 0.00 O ATOM 479 CG2 THR A 614 -12.134 7.637 -8.742 1.00 0.00 C ATOM 0 H THR A 614 -10.084 6.535 -7.000 1.00 0.00 H new ATOM 0 HA THR A 614 -9.700 8.682 -8.795 1.00 0.00 H new ATOM 0 HB THR A 614 -11.894 9.474 -7.685 1.00 0.00 H new ATOM 0 HG1 THR A 614 -11.357 8.329 -5.644 1.00 0.00 H new ATOM 0 HG21 THR A 614 -13.218 7.627 -8.627 1.00 0.00 H new ATOM 0 HG22 THR A 614 -11.875 8.081 -9.703 1.00 0.00 H new ATOM 0 HG23 THR A 614 -11.755 6.616 -8.700 1.00 0.00 H new ATOM 487 N PRO A 615 -8.727 10.590 -7.502 1.00 0.00 N ATOM 488 CA PRO A 615 -8.191 11.757 -6.794 1.00 0.00 C ATOM 489 C PRO A 615 -9.256 12.831 -6.583 1.00 0.00 C ATOM 490 O PRO A 615 -9.130 13.953 -7.080 1.00 0.00 O ATOM 491 CB PRO A 615 -7.087 12.281 -7.733 1.00 0.00 C ATOM 492 CG PRO A 615 -7.035 11.313 -8.886 1.00 0.00 C ATOM 493 CD PRO A 615 -8.385 10.650 -8.929 1.00 0.00 C ATOM 0 HA PRO A 615 -7.829 11.499 -5.799 1.00 0.00 H new ATOM 0 HB2 PRO A 615 -7.314 13.289 -8.079 1.00 0.00 H new ATOM 0 HB3 PRO A 615 -6.127 12.329 -7.219 1.00 0.00 H new ATOM 0 HG2 PRO A 615 -6.824 11.831 -9.822 1.00 0.00 H new ATOM 0 HG3 PRO A 615 -6.243 10.578 -8.743 1.00 0.00 H new ATOM 0 HD2 PRO A 615 -9.109 11.231 -9.500 1.00 0.00 H new ATOM 0 HD3 PRO A 615 -8.341 9.660 -9.382 1.00 0.00 H new ATOM 501 N ASP A 616 -10.300 12.478 -5.848 1.00 0.00 N ATOM 502 CA ASP A 616 -11.395 13.405 -5.557 1.00 0.00 C ATOM 503 C ASP A 616 -10.883 14.580 -4.725 1.00 0.00 C ATOM 504 O ASP A 616 -10.254 14.380 -3.688 1.00 0.00 O ATOM 505 CB ASP A 616 -12.519 12.689 -4.793 1.00 0.00 C ATOM 506 CG ASP A 616 -13.673 13.616 -4.475 1.00 0.00 C ATOM 507 OD1 ASP A 616 -14.580 13.756 -5.321 1.00 0.00 O ATOM 508 OD2 ASP A 616 -13.679 14.209 -3.376 1.00 0.00 O ATOM 0 H ASP A 616 -10.416 11.551 -5.438 1.00 0.00 H new ATOM 0 HA ASP A 616 -11.789 13.776 -6.503 1.00 0.00 H new ATOM 0 HB2 ASP A 616 -12.882 11.850 -5.386 1.00 0.00 H new ATOM 0 HB3 ASP A 616 -12.121 12.276 -3.866 1.00 0.00 H new ATOM 513 N PRO A 617 -11.154 15.825 -5.175 1.00 0.00 N ATOM 514 CA PRO A 617 -10.640 17.046 -4.532 1.00 0.00 C ATOM 515 C PRO A 617 -11.047 17.179 -3.066 1.00 0.00 C ATOM 516 O PRO A 617 -10.338 17.799 -2.276 1.00 0.00 O ATOM 517 CB PRO A 617 -11.265 18.192 -5.354 1.00 0.00 C ATOM 518 CG PRO A 617 -12.399 17.566 -6.088 1.00 0.00 C ATOM 519 CD PRO A 617 -11.977 16.150 -6.356 1.00 0.00 C ATOM 0 HA PRO A 617 -9.550 17.045 -4.522 1.00 0.00 H new ATOM 0 HB2 PRO A 617 -11.611 18.999 -4.707 1.00 0.00 H new ATOM 0 HB3 PRO A 617 -10.540 18.625 -6.043 1.00 0.00 H new ATOM 0 HG2 PRO A 617 -13.313 17.597 -5.496 1.00 0.00 H new ATOM 0 HG3 PRO A 617 -12.604 18.096 -7.018 1.00 0.00 H new ATOM 0 HD2 PRO A 617 -12.834 15.483 -6.448 1.00 0.00 H new ATOM 0 HD3 PRO A 617 -11.407 16.066 -7.282 1.00 0.00 H new ATOM 527 N ALA A 618 -12.187 16.606 -2.705 1.00 0.00 N ATOM 528 CA ALA A 618 -12.674 16.692 -1.338 1.00 0.00 C ATOM 529 C ALA A 618 -12.109 15.557 -0.494 1.00 0.00 C ATOM 530 O ALA A 618 -11.589 15.782 0.599 1.00 0.00 O ATOM 531 CB ALA A 618 -14.193 16.676 -1.309 1.00 0.00 C ATOM 0 H ALA A 618 -12.789 16.079 -3.338 1.00 0.00 H new ATOM 0 HA ALA A 618 -12.334 17.636 -0.913 1.00 0.00 H new ATOM 0 HB1 ALA A 618 -14.538 16.741 -0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 618 -14.577 17.525 -1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 618 -14.556 15.750 -1.755 1.00 0.00 H new ATOM 537 N ALA A 619 -12.226 14.336 -1.005 1.00 0.00 N ATOM 538 CA ALA A 619 -11.679 13.159 -0.335 1.00 0.00 C ATOM 539 C ALA A 619 -10.168 13.269 -0.151 1.00 0.00 C ATOM 540 O ALA A 619 -9.608 12.706 0.784 1.00 0.00 O ATOM 541 CB ALA A 619 -12.027 11.899 -1.112 1.00 0.00 C ATOM 0 H ALA A 619 -12.698 14.134 -1.887 1.00 0.00 H new ATOM 0 HA ALA A 619 -12.130 13.101 0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 619 -11.613 11.030 -0.601 1.00 0.00 H new ATOM 0 HB2 ALA A 619 -13.110 11.799 -1.177 1.00 0.00 H new ATOM 0 HB3 ALA A 619 -11.608 11.963 -2.116 1.00 0.00 H new ATOM 547 N LEU A 620 -9.515 14.001 -1.044 1.00 0.00 N ATOM 548 CA LEU A 620 -8.071 14.198 -0.967 1.00 0.00 C ATOM 549 C LEU A 620 -7.723 14.982 0.301 1.00 0.00 C ATOM 550 O LEU A 620 -6.677 14.773 0.915 1.00 0.00 O ATOM 551 CB LEU A 620 -7.570 14.949 -2.209 1.00 0.00 C ATOM 552 CG LEU A 620 -6.260 14.438 -2.833 1.00 0.00 C ATOM 553 CD1 LEU A 620 -5.103 14.525 -1.846 1.00 0.00 C ATOM 554 CD2 LEU A 620 -6.423 13.011 -3.339 1.00 0.00 C ATOM 0 H LEU A 620 -9.962 14.470 -1.832 1.00 0.00 H new ATOM 0 HA LEU A 620 -7.581 13.225 -0.930 1.00 0.00 H new ATOM 0 HB2 LEU A 620 -8.349 14.910 -2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 620 -7.436 15.998 -1.944 1.00 0.00 H new ATOM 0 HG LEU A 620 -6.026 15.082 -3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 620 -4.193 14.156 -2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 620 -4.960 15.562 -1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 620 -5.327 13.919 -0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 620 -5.484 12.671 -3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 620 -6.694 12.359 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 620 -7.207 12.980 -4.095 1.00 0.00 H new ATOM 566 N LYS A 621 -8.629 15.868 0.699 1.00 0.00 N ATOM 567 CA LYS A 621 -8.412 16.716 1.865 1.00 0.00 C ATOM 568 C LYS A 621 -9.018 16.087 3.116 1.00 0.00 C ATOM 569 O LYS A 621 -9.122 16.733 4.160 1.00 0.00 O ATOM 570 CB LYS A 621 -9.023 18.104 1.630 1.00 0.00 C ATOM 571 CG LYS A 621 -8.468 18.825 0.408 1.00 0.00 C ATOM 572 CD LYS A 621 -6.974 19.096 0.528 1.00 0.00 C ATOM 573 CE LYS A 621 -6.663 20.027 1.690 1.00 0.00 C ATOM 574 NZ LYS A 621 -5.225 20.393 1.735 1.00 0.00 N ATOM 0 H LYS A 621 -9.522 16.018 0.230 1.00 0.00 H new ATOM 0 HA LYS A 621 -7.337 16.818 2.016 1.00 0.00 H new ATOM 0 HB2 LYS A 621 -10.102 18.001 1.519 1.00 0.00 H new ATOM 0 HB3 LYS A 621 -8.850 18.720 2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 621 -8.656 18.225 -0.482 1.00 0.00 H new ATOM 0 HG3 LYS A 621 -8.997 19.769 0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 621 -6.443 18.154 0.664 1.00 0.00 H new ATOM 0 HD3 LYS A 621 -6.608 19.537 -0.399 1.00 0.00 H new ATOM 0 HE2 LYS A 621 -7.265 20.931 1.602 1.00 0.00 H new ATOM 0 HE3 LYS A 621 -6.945 19.546 2.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 621 -5.053 21.028 2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 621 -4.651 19.533 1.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 621 -4.962 20.875 0.852 1.00 0.00 H new ATOM 588 N ASP A 622 -9.406 14.824 3.008 1.00 0.00 N ATOM 589 CA ASP A 622 -10.023 14.117 4.128 1.00 0.00 C ATOM 590 C ASP A 622 -8.956 13.432 4.971 1.00 0.00 C ATOM 591 O ASP A 622 -8.072 12.753 4.448 1.00 0.00 O ATOM 592 CB ASP A 622 -11.032 13.076 3.632 1.00 0.00 C ATOM 593 CG ASP A 622 -11.875 12.515 4.759 1.00 0.00 C ATOM 594 OD1 ASP A 622 -11.383 11.649 5.505 1.00 0.00 O ATOM 595 OD2 ASP A 622 -13.039 12.942 4.901 1.00 0.00 O ATOM 0 H ASP A 622 -9.306 14.267 2.160 1.00 0.00 H new ATOM 0 HA ASP A 622 -10.551 14.850 4.738 1.00 0.00 H new ATOM 0 HB2 ASP A 622 -11.683 13.530 2.885 1.00 0.00 H new ATOM 0 HB3 ASP A 622 -10.500 12.263 3.139 1.00 0.00 H new ATOM 600 N ARG A 623 -9.049 13.628 6.282 1.00 0.00 N ATOM 601 CA ARG A 623 -8.096 13.071 7.234 1.00 0.00 C ATOM 602 C ARG A 623 -8.071 11.543 7.203 1.00 0.00 C ATOM 603 O ARG A 623 -7.012 10.939 7.360 1.00 0.00 O ATOM 604 CB ARG A 623 -8.403 13.572 8.648 1.00 0.00 C ATOM 605 CG ARG A 623 -8.208 15.074 8.831 1.00 0.00 C ATOM 606 CD ARG A 623 -6.793 15.498 8.478 1.00 0.00 C ATOM 607 NE ARG A 623 -6.602 16.938 8.600 1.00 0.00 N ATOM 608 CZ ARG A 623 -5.525 17.586 8.165 1.00 0.00 C ATOM 609 NH1 ARG A 623 -4.547 16.924 7.557 1.00 0.00 N ATOM 610 NH2 ARG A 623 -5.435 18.899 8.327 1.00 0.00 N ATOM 0 H ARG A 623 -9.790 14.179 6.715 1.00 0.00 H new ATOM 0 HA ARG A 623 -7.105 13.414 6.938 1.00 0.00 H new ATOM 0 HB2 ARG A 623 -9.433 13.317 8.897 1.00 0.00 H new ATOM 0 HB3 ARG A 623 -7.764 13.044 9.356 1.00 0.00 H new ATOM 0 HG2 ARG A 623 -8.918 15.613 8.204 1.00 0.00 H new ATOM 0 HG3 ARG A 623 -8.424 15.347 9.864 1.00 0.00 H new ATOM 0 HD2 ARG A 623 -6.088 14.983 9.131 1.00 0.00 H new ATOM 0 HD3 ARG A 623 -6.567 15.189 7.458 1.00 0.00 H new ATOM 0 HE ARG A 623 -7.340 17.482 9.047 1.00 0.00 H new ATOM 0 HH11 ARG A 623 -4.621 15.916 7.422 1.00 0.00 H new ATOM 0 HH12 ARG A 623 -3.722 17.424 7.225 1.00 0.00 H new ATOM 0 HH21 ARG A 623 -6.191 19.409 8.784 1.00 0.00 H new ATOM 0 HH22 ARG A 623 -4.610 19.399 7.994 1.00 0.00 H new ATOM 624 N ARG A 624 -9.234 10.919 7.025 1.00 0.00 N ATOM 625 CA ARG A 624 -9.318 9.464 6.993 1.00 0.00 C ATOM 626 C ARG A 624 -8.556 8.932 5.782 1.00 0.00 C ATOM 627 O ARG A 624 -7.902 7.889 5.853 1.00 0.00 O ATOM 628 CB ARG A 624 -10.777 8.991 6.971 1.00 0.00 C ATOM 629 CG ARG A 624 -10.929 7.483 7.125 1.00 0.00 C ATOM 630 CD ARG A 624 -12.386 7.069 7.279 1.00 0.00 C ATOM 631 NE ARG A 624 -13.015 7.695 8.441 1.00 0.00 N ATOM 632 CZ ARG A 624 -13.945 7.112 9.198 1.00 0.00 C ATOM 633 NH1 ARG A 624 -14.365 5.883 8.923 1.00 0.00 N ATOM 634 NH2 ARG A 624 -14.452 7.765 10.235 1.00 0.00 N ATOM 0 H ARG A 624 -10.126 11.398 6.901 1.00 0.00 H new ATOM 0 HA ARG A 624 -8.862 9.070 7.901 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -11.324 9.487 7.773 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -11.237 9.301 6.033 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -10.501 6.985 6.255 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -10.363 7.149 7.995 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -12.937 7.341 6.379 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -12.446 5.985 7.375 1.00 0.00 H new ATOM 0 HE ARG A 624 -12.723 8.640 8.689 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -13.976 5.377 8.127 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -15.077 5.445 9.507 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -14.130 8.709 10.450 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -15.164 7.324 10.817 1.00 0.00 H new ATOM 648 N MET A 625 -8.656 9.655 4.666 1.00 0.00 N ATOM 649 CA MET A 625 -7.892 9.319 3.458 1.00 0.00 C ATOM 650 C MET A 625 -6.400 9.262 3.781 1.00 0.00 C ATOM 651 O MET A 625 -5.699 8.336 3.374 1.00 0.00 O ATOM 652 CB MET A 625 -8.180 10.332 2.324 1.00 0.00 C ATOM 653 CG MET A 625 -6.946 11.039 1.740 1.00 0.00 C ATOM 654 SD MET A 625 -5.924 9.979 0.692 1.00 0.00 S ATOM 655 CE MET A 625 -7.043 9.650 -0.664 1.00 0.00 C ATOM 0 H MET A 625 -9.256 10.475 4.571 1.00 0.00 H new ATOM 0 HA MET A 625 -8.206 8.336 3.108 1.00 0.00 H new ATOM 0 HB2 MET A 625 -8.695 9.811 1.517 1.00 0.00 H new ATOM 0 HB3 MET A 625 -8.866 11.090 2.703 1.00 0.00 H new ATOM 0 HG2 MET A 625 -7.274 11.901 1.159 1.00 0.00 H new ATOM 0 HG3 MET A 625 -6.336 11.420 2.559 1.00 0.00 H new ATOM 0 HE1 MET A 625 -6.477 9.291 -1.524 1.00 0.00 H new ATOM 0 HE2 MET A 625 -7.766 8.892 -0.363 1.00 0.00 H new ATOM 0 HE3 MET A 625 -7.568 10.567 -0.933 1.00 0.00 H new ATOM 665 N GLU A 626 -5.934 10.241 4.546 1.00 0.00 N ATOM 666 CA GLU A 626 -4.535 10.306 4.949 1.00 0.00 C ATOM 667 C GLU A 626 -4.134 9.054 5.722 1.00 0.00 C ATOM 668 O GLU A 626 -3.018 8.559 5.577 1.00 0.00 O ATOM 669 CB GLU A 626 -4.265 11.549 5.792 1.00 0.00 C ATOM 670 CG GLU A 626 -4.651 12.848 5.107 1.00 0.00 C ATOM 671 CD GLU A 626 -4.128 14.062 5.842 1.00 0.00 C ATOM 672 OE1 GLU A 626 -4.428 14.217 7.044 1.00 0.00 O ATOM 673 OE2 GLU A 626 -3.406 14.869 5.221 1.00 0.00 O ATOM 0 H GLU A 626 -6.508 11.005 4.902 1.00 0.00 H new ATOM 0 HA GLU A 626 -3.933 10.365 4.042 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -4.813 11.467 6.730 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -3.205 11.583 6.044 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -4.263 12.848 4.088 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -5.737 12.909 5.035 1.00 0.00 H new ATOM 680 N ASN A 627 -5.047 8.560 6.554 1.00 0.00 N ATOM 681 CA ASN A 627 -4.792 7.371 7.369 1.00 0.00 C ATOM 682 C ASN A 627 -4.494 6.163 6.494 1.00 0.00 C ATOM 683 O ASN A 627 -3.610 5.367 6.809 1.00 0.00 O ATOM 684 CB ASN A 627 -5.987 7.050 8.277 1.00 0.00 C ATOM 685 CG ASN A 627 -6.297 8.162 9.279 1.00 0.00 C ATOM 686 OD1 ASN A 627 -7.443 8.324 9.695 1.00 0.00 O ATOM 687 ND2 ASN A 627 -5.289 8.943 9.667 1.00 0.00 N ATOM 0 H ASN A 627 -5.974 8.965 6.683 1.00 0.00 H new ATOM 0 HA ASN A 627 -3.923 7.590 7.989 1.00 0.00 H new ATOM 0 HB2 ASN A 627 -6.867 6.871 7.659 1.00 0.00 H new ATOM 0 HB3 ASN A 627 -5.785 6.127 8.820 1.00 0.00 H new ATOM 0 HD21 ASN A 627 -5.457 9.702 10.328 1.00 0.00 H new ATOM 0 HD22 ASN A 627 -4.350 8.782 9.303 1.00 0.00 H new ATOM 694 N LEU A 628 -5.231 6.021 5.396 1.00 0.00 N ATOM 695 CA LEU A 628 -5.011 4.901 4.484 1.00 0.00 C ATOM 696 C LEU A 628 -3.641 5.047 3.825 1.00 0.00 C ATOM 697 O LEU A 628 -2.928 4.063 3.630 1.00 0.00 O ATOM 698 CB LEU A 628 -6.163 4.764 3.447 1.00 0.00 C ATOM 699 CG LEU A 628 -6.049 5.565 2.140 1.00 0.00 C ATOM 700 CD1 LEU A 628 -5.182 4.838 1.120 1.00 0.00 C ATOM 701 CD2 LEU A 628 -7.431 5.810 1.558 1.00 0.00 C ATOM 0 H LEU A 628 -5.977 6.658 5.118 1.00 0.00 H new ATOM 0 HA LEU A 628 -5.018 3.971 5.053 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -6.256 3.710 3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -7.092 5.054 3.938 1.00 0.00 H new ATOM 0 HG LEU A 628 -5.576 6.520 2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -5.121 5.430 0.207 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -4.181 4.696 1.528 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -5.623 3.867 0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -7.340 6.378 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -7.914 4.855 1.352 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -8.032 6.373 2.272 1.00 0.00 H new ATOM 713 N VAL A 629 -3.272 6.285 3.496 1.00 0.00 N ATOM 714 CA VAL A 629 -1.959 6.561 2.922 1.00 0.00 C ATOM 715 C VAL A 629 -0.876 6.236 3.945 1.00 0.00 C ATOM 716 O VAL A 629 0.148 5.632 3.621 1.00 0.00 O ATOM 717 CB VAL A 629 -1.824 8.036 2.481 1.00 0.00 C ATOM 718 CG1 VAL A 629 -0.447 8.302 1.891 1.00 0.00 C ATOM 719 CG2 VAL A 629 -2.912 8.395 1.482 1.00 0.00 C ATOM 0 H VAL A 629 -3.862 7.108 3.617 1.00 0.00 H new ATOM 0 HA VAL A 629 -1.843 5.934 2.038 1.00 0.00 H new ATOM 0 HB VAL A 629 -1.942 8.666 3.362 1.00 0.00 H new ATOM 0 HG11 VAL A 629 -0.377 9.347 1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 629 0.317 8.089 2.639 1.00 0.00 H new ATOM 0 HG13 VAL A 629 -0.293 7.661 1.023 1.00 0.00 H new ATOM 0 HG21 VAL A 629 -2.801 9.437 1.182 1.00 0.00 H new ATOM 0 HG22 VAL A 629 -2.826 7.754 0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 629 -3.890 8.251 1.942 1.00 0.00 H new ATOM 729 N ALA A 630 -1.125 6.638 5.186 1.00 0.00 N ATOM 730 CA ALA A 630 -0.235 6.332 6.295 1.00 0.00 C ATOM 731 C ALA A 630 -0.099 4.821 6.475 1.00 0.00 C ATOM 732 O ALA A 630 0.980 4.328 6.798 1.00 0.00 O ATOM 733 CB ALA A 630 -0.715 7.000 7.578 1.00 0.00 C ATOM 0 H ALA A 630 -1.946 7.183 5.449 1.00 0.00 H new ATOM 0 HA ALA A 630 0.752 6.733 6.063 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -0.033 6.756 8.392 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -0.741 8.081 7.438 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -1.715 6.642 7.823 1.00 0.00 H new ATOM 739 N TYR A 631 -1.198 4.094 6.282 1.00 0.00 N ATOM 740 CA TYR A 631 -1.174 2.634 6.353 1.00 0.00 C ATOM 741 C TYR A 631 -0.231 2.065 5.293 1.00 0.00 C ATOM 742 O TYR A 631 0.503 1.109 5.556 1.00 0.00 O ATOM 743 CB TYR A 631 -2.580 2.039 6.175 1.00 0.00 C ATOM 744 CG TYR A 631 -2.641 0.552 6.440 1.00 0.00 C ATOM 745 CD1 TYR A 631 -2.353 0.050 7.700 1.00 0.00 C ATOM 746 CD2 TYR A 631 -2.994 -0.346 5.440 1.00 0.00 C ATOM 747 CE1 TYR A 631 -2.414 -1.303 7.959 1.00 0.00 C ATOM 748 CE2 TYR A 631 -3.055 -1.703 5.693 1.00 0.00 C ATOM 749 CZ TYR A 631 -2.763 -2.176 6.954 1.00 0.00 C ATOM 750 OH TYR A 631 -2.831 -3.527 7.216 1.00 0.00 O ATOM 0 H TYR A 631 -2.115 4.491 6.076 1.00 0.00 H new ATOM 0 HA TYR A 631 -0.811 2.358 7.343 1.00 0.00 H new ATOM 0 HB2 TYR A 631 -3.270 2.549 6.847 1.00 0.00 H new ATOM 0 HB3 TYR A 631 -2.923 2.234 5.159 1.00 0.00 H new ATOM 0 HD1 TYR A 631 -2.076 0.730 8.492 1.00 0.00 H new ATOM 0 HD2 TYR A 631 -3.224 0.022 4.451 1.00 0.00 H new ATOM 0 HE1 TYR A 631 -2.189 -1.676 8.947 1.00 0.00 H new ATOM 0 HE2 TYR A 631 -3.330 -2.390 4.906 1.00 0.00 H new ATOM 0 HH TYR A 631 -3.092 -4.005 6.402 1.00 0.00 H new ATOM 760 N ALA A 632 -0.251 2.656 4.098 1.00 0.00 N ATOM 761 CA ALA A 632 0.651 2.248 3.026 1.00 0.00 C ATOM 762 C ALA A 632 2.101 2.481 3.444 1.00 0.00 C ATOM 763 O ALA A 632 2.967 1.638 3.215 1.00 0.00 O ATOM 764 CB ALA A 632 0.331 2.995 1.735 1.00 0.00 C ATOM 0 H ALA A 632 -0.882 3.418 3.850 1.00 0.00 H new ATOM 0 HA ALA A 632 0.510 1.183 2.839 1.00 0.00 H new ATOM 0 HB1 ALA A 632 1.016 2.675 0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 632 -0.694 2.778 1.433 1.00 0.00 H new ATOM 0 HB3 ALA A 632 0.442 4.067 1.898 1.00 0.00 H new ATOM 770 N LYS A 633 2.356 3.638 4.052 1.00 0.00 N ATOM 771 CA LYS A 633 3.646 3.943 4.657 1.00 0.00 C ATOM 772 C LYS A 633 4.067 2.879 5.664 1.00 0.00 C ATOM 773 O LYS A 633 5.197 2.395 5.640 1.00 0.00 O ATOM 774 CB LYS A 633 3.532 5.265 5.397 1.00 0.00 C ATOM 775 CG LYS A 633 3.184 6.464 4.527 1.00 0.00 C ATOM 776 CD LYS A 633 4.074 6.568 3.303 1.00 0.00 C ATOM 777 CE LYS A 633 3.743 7.807 2.480 1.00 0.00 C ATOM 778 NZ LYS A 633 3.898 9.064 3.265 1.00 0.00 N ATOM 0 H LYS A 633 1.672 4.390 4.138 1.00 0.00 H new ATOM 0 HA LYS A 633 4.389 3.983 3.861 1.00 0.00 H new ATOM 0 HB2 LYS A 633 2.772 5.165 6.172 1.00 0.00 H new ATOM 0 HB3 LYS A 633 4.478 5.464 5.901 1.00 0.00 H new ATOM 0 HG2 LYS A 633 2.143 6.390 4.211 1.00 0.00 H new ATOM 0 HG3 LYS A 633 3.274 7.376 5.117 1.00 0.00 H new ATOM 0 HD2 LYS A 633 5.119 6.603 3.612 1.00 0.00 H new ATOM 0 HD3 LYS A 633 3.954 5.677 2.687 1.00 0.00 H new ATOM 0 HE2 LYS A 633 4.393 7.844 1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 633 2.719 7.734 2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 633 3.914 9.878 2.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 633 3.100 9.162 3.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 633 4.788 9.031 3.801 1.00 0.00 H new ATOM 792 N LYS A 634 3.159 2.557 6.568 1.00 0.00 N ATOM 793 CA LYS A 634 3.391 1.506 7.559 1.00 0.00 C ATOM 794 C LYS A 634 3.752 0.192 6.872 1.00 0.00 C ATOM 795 O LYS A 634 4.679 -0.506 7.292 1.00 0.00 O ATOM 796 CB LYS A 634 2.159 1.322 8.447 1.00 0.00 C ATOM 797 CG LYS A 634 1.785 2.571 9.228 1.00 0.00 C ATOM 798 CD LYS A 634 0.528 2.363 10.056 1.00 0.00 C ATOM 799 CE LYS A 634 0.081 3.656 10.722 1.00 0.00 C ATOM 800 NZ LYS A 634 1.092 4.173 11.681 1.00 0.00 N ATOM 0 H LYS A 634 2.247 3.008 6.641 1.00 0.00 H new ATOM 0 HA LYS A 634 4.228 1.809 8.188 1.00 0.00 H new ATOM 0 HB2 LYS A 634 1.314 1.024 7.826 1.00 0.00 H new ATOM 0 HB3 LYS A 634 2.343 0.507 9.147 1.00 0.00 H new ATOM 0 HG2 LYS A 634 2.610 2.851 9.883 1.00 0.00 H new ATOM 0 HG3 LYS A 634 1.632 3.400 8.537 1.00 0.00 H new ATOM 0 HD2 LYS A 634 -0.271 1.985 9.418 1.00 0.00 H new ATOM 0 HD3 LYS A 634 0.713 1.605 10.817 1.00 0.00 H new ATOM 0 HE2 LYS A 634 -0.110 4.409 9.958 1.00 0.00 H new ATOM 0 HE3 LYS A 634 -0.860 3.487 11.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 634 0.698 4.986 12.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 634 1.344 3.424 12.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 634 1.942 4.472 11.162 1.00 0.00 H new ATOM 814 N VAL A 635 3.008 -0.134 5.820 1.00 0.00 N ATOM 815 CA VAL A 635 3.337 -1.268 4.964 1.00 0.00 C ATOM 816 C VAL A 635 4.768 -1.153 4.436 1.00 0.00 C ATOM 817 O VAL A 635 5.537 -2.109 4.513 1.00 0.00 O ATOM 818 CB VAL A 635 2.345 -1.383 3.780 1.00 0.00 C ATOM 819 CG1 VAL A 635 2.937 -2.191 2.638 1.00 0.00 C ATOM 820 CG2 VAL A 635 1.042 -2.017 4.238 1.00 0.00 C ATOM 0 H VAL A 635 2.169 0.374 5.539 1.00 0.00 H new ATOM 0 HA VAL A 635 3.256 -2.171 5.570 1.00 0.00 H new ATOM 0 HB VAL A 635 2.146 -0.374 3.418 1.00 0.00 H new ATOM 0 HG11 VAL A 635 2.215 -2.253 1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 635 3.846 -1.706 2.282 1.00 0.00 H new ATOM 0 HG13 VAL A 635 3.175 -3.195 2.988 1.00 0.00 H new ATOM 0 HG21 VAL A 635 0.356 -2.090 3.394 1.00 0.00 H new ATOM 0 HG22 VAL A 635 1.241 -3.014 4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 635 0.593 -1.402 5.018 1.00 0.00 H new ATOM 830 N GLU A 636 5.124 0.027 3.940 1.00 0.00 N ATOM 831 CA GLU A 636 6.457 0.289 3.418 1.00 0.00 C ATOM 832 C GLU A 636 7.522 -0.029 4.467 1.00 0.00 C ATOM 833 O GLU A 636 8.561 -0.615 4.155 1.00 0.00 O ATOM 834 CB GLU A 636 6.535 1.762 2.979 1.00 0.00 C ATOM 835 CG GLU A 636 7.933 2.356 2.992 1.00 0.00 C ATOM 836 CD GLU A 636 7.939 3.848 2.713 1.00 0.00 C ATOM 837 OE1 GLU A 636 7.968 4.244 1.531 1.00 0.00 O ATOM 838 OE2 GLU A 636 7.929 4.638 3.684 1.00 0.00 O ATOM 0 H GLU A 636 4.495 0.828 3.889 1.00 0.00 H new ATOM 0 HA GLU A 636 6.647 -0.354 2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 636 6.128 1.849 1.972 1.00 0.00 H new ATOM 0 HB3 GLU A 636 5.897 2.356 3.633 1.00 0.00 H new ATOM 0 HG2 GLU A 636 8.393 2.170 3.963 1.00 0.00 H new ATOM 0 HG3 GLU A 636 8.546 1.849 2.247 1.00 0.00 H new ATOM 845 N GLY A 637 7.249 0.349 5.711 1.00 0.00 N ATOM 846 CA GLY A 637 8.164 0.046 6.799 1.00 0.00 C ATOM 847 C GLY A 637 8.306 -1.445 7.043 1.00 0.00 C ATOM 848 O GLY A 637 9.422 -1.952 7.162 1.00 0.00 O ATOM 0 H GLY A 637 6.410 0.860 5.987 1.00 0.00 H new ATOM 0 HA2 GLY A 637 9.143 0.469 6.574 1.00 0.00 H new ATOM 0 HA3 GLY A 637 7.811 0.528 7.711 1.00 0.00 H new ATOM 852 N ASP A 638 7.179 -2.150 7.119 1.00 0.00 N ATOM 853 CA ASP A 638 7.189 -3.598 7.343 1.00 0.00 C ATOM 854 C ASP A 638 7.860 -4.325 6.181 1.00 0.00 C ATOM 855 O ASP A 638 8.645 -5.255 6.382 1.00 0.00 O ATOM 856 CB ASP A 638 5.763 -4.126 7.532 1.00 0.00 C ATOM 857 CG ASP A 638 5.719 -5.633 7.719 1.00 0.00 C ATOM 858 OD1 ASP A 638 5.880 -6.101 8.866 1.00 0.00 O ATOM 859 OD2 ASP A 638 5.523 -6.357 6.721 1.00 0.00 O ATOM 0 H ASP A 638 6.247 -1.745 7.029 1.00 0.00 H new ATOM 0 HA ASP A 638 7.760 -3.790 8.251 1.00 0.00 H new ATOM 0 HB2 ASP A 638 5.312 -3.643 8.399 1.00 0.00 H new ATOM 0 HB3 ASP A 638 5.160 -3.853 6.666 1.00 0.00 H new ATOM 864 N MET A 639 7.548 -3.888 4.967 1.00 0.00 N ATOM 865 CA MET A 639 8.147 -4.463 3.763 1.00 0.00 C ATOM 866 C MET A 639 9.651 -4.260 3.772 1.00 0.00 C ATOM 867 O MET A 639 10.389 -5.126 3.337 1.00 0.00 O ATOM 868 CB MET A 639 7.563 -3.860 2.471 1.00 0.00 C ATOM 869 CG MET A 639 6.053 -4.008 2.328 1.00 0.00 C ATOM 870 SD MET A 639 5.535 -5.727 2.212 1.00 0.00 S ATOM 871 CE MET A 639 3.779 -5.522 1.947 1.00 0.00 C ATOM 0 H MET A 639 6.883 -3.136 4.787 1.00 0.00 H new ATOM 0 HA MET A 639 7.912 -5.527 3.774 1.00 0.00 H new ATOM 0 HB2 MET A 639 7.816 -2.800 2.433 1.00 0.00 H new ATOM 0 HB3 MET A 639 8.044 -4.333 1.615 1.00 0.00 H new ATOM 0 HG2 MET A 639 5.563 -3.542 3.183 1.00 0.00 H new ATOM 0 HG3 MET A 639 5.722 -3.472 1.439 1.00 0.00 H new ATOM 0 HE1 MET A 639 3.408 -6.334 1.322 1.00 0.00 H new ATOM 0 HE2 MET A 639 3.262 -5.537 2.906 1.00 0.00 H new ATOM 0 HE3 MET A 639 3.595 -4.569 1.451 1.00 0.00 H new ATOM 881 N TYR A 640 10.084 -3.105 4.266 1.00 0.00 N ATOM 882 CA TYR A 640 11.501 -2.726 4.234 1.00 0.00 C ATOM 883 C TYR A 640 12.396 -3.835 4.811 1.00 0.00 C ATOM 884 O TYR A 640 13.472 -4.098 4.271 1.00 0.00 O ATOM 885 CB TYR A 640 11.741 -1.394 4.975 1.00 0.00 C ATOM 886 CG TYR A 640 13.029 -0.697 4.584 1.00 0.00 C ATOM 887 CD1 TYR A 640 13.365 -0.534 3.245 1.00 0.00 C ATOM 888 CD2 TYR A 640 13.906 -0.198 5.543 1.00 0.00 C ATOM 889 CE1 TYR A 640 14.530 0.101 2.874 1.00 0.00 C ATOM 890 CE2 TYR A 640 15.075 0.440 5.176 1.00 0.00 C ATOM 891 CZ TYR A 640 15.382 0.587 3.840 1.00 0.00 C ATOM 892 OH TYR A 640 16.547 1.220 3.467 1.00 0.00 O ATOM 0 H TYR A 640 9.475 -2.409 4.696 1.00 0.00 H new ATOM 0 HA TYR A 640 11.773 -2.587 3.188 1.00 0.00 H new ATOM 0 HB2 TYR A 640 10.903 -0.725 4.779 1.00 0.00 H new ATOM 0 HB3 TYR A 640 11.753 -1.584 6.048 1.00 0.00 H new ATOM 0 HD1 TYR A 640 12.701 -0.912 2.482 1.00 0.00 H new ATOM 0 HD2 TYR A 640 13.669 -0.311 6.590 1.00 0.00 H new ATOM 0 HE1 TYR A 640 14.774 0.217 1.828 1.00 0.00 H new ATOM 0 HE2 TYR A 640 15.745 0.822 5.932 1.00 0.00 H new ATOM 0 HH TYR A 640 17.035 1.504 4.268 1.00 0.00 H new ATOM 902 N GLU A 641 11.951 -4.502 5.880 1.00 0.00 N ATOM 903 CA GLU A 641 12.729 -5.616 6.449 1.00 0.00 C ATOM 904 C GLU A 641 12.765 -6.801 5.478 1.00 0.00 C ATOM 905 O GLU A 641 13.828 -7.335 5.162 1.00 0.00 O ATOM 906 CB GLU A 641 12.167 -6.076 7.803 1.00 0.00 C ATOM 907 CG GLU A 641 12.706 -5.275 9.009 1.00 0.00 C ATOM 908 CD GLU A 641 12.186 -3.856 9.050 1.00 0.00 C ATOM 909 OE1 GLU A 641 11.022 -3.657 9.455 1.00 0.00 O ATOM 910 OE2 GLU A 641 12.947 -2.929 8.705 1.00 0.00 O ATOM 0 H GLU A 641 11.076 -4.299 6.363 1.00 0.00 H new ATOM 0 HA GLU A 641 13.742 -5.248 6.610 1.00 0.00 H new ATOM 0 HB2 GLU A 641 11.080 -5.994 7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 641 12.404 -7.130 7.944 1.00 0.00 H new ATOM 0 HG2 GLU A 641 12.429 -5.785 9.931 1.00 0.00 H new ATOM 0 HG3 GLU A 641 13.795 -5.257 8.970 1.00 0.00 H new ATOM 917 N SER A 642 11.588 -7.182 5.005 1.00 0.00 N ATOM 918 CA SER A 642 11.417 -8.314 4.095 1.00 0.00 C ATOM 919 C SER A 642 12.106 -8.054 2.749 1.00 0.00 C ATOM 920 O SER A 642 12.622 -8.974 2.117 1.00 0.00 O ATOM 921 CB SER A 642 9.923 -8.587 3.901 1.00 0.00 C ATOM 922 OG SER A 642 9.682 -9.905 3.439 1.00 0.00 O ATOM 0 H SER A 642 10.714 -6.712 5.242 1.00 0.00 H new ATOM 0 HA SER A 642 11.888 -9.194 4.534 1.00 0.00 H new ATOM 0 HB2 SER A 642 9.400 -8.432 4.845 1.00 0.00 H new ATOM 0 HB3 SER A 642 9.513 -7.872 3.188 1.00 0.00 H new ATOM 0 HG SER A 642 10.478 -10.240 2.976 1.00 0.00 H new ATOM 928 N ALA A 643 12.063 -6.793 2.318 1.00 0.00 N ATOM 929 CA ALA A 643 12.655 -6.296 1.061 1.00 0.00 C ATOM 930 C ALA A 643 14.160 -6.567 0.914 1.00 0.00 C ATOM 931 O ALA A 643 14.848 -5.869 0.166 1.00 0.00 O ATOM 932 CB ALA A 643 12.395 -4.808 0.927 1.00 0.00 C ATOM 0 H ALA A 643 11.599 -6.057 2.850 1.00 0.00 H new ATOM 0 HA ALA A 643 12.168 -6.856 0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 643 12.834 -4.444 -0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 643 11.320 -4.626 0.917 1.00 0.00 H new ATOM 0 HB3 ALA A 643 12.844 -4.283 1.770 1.00 0.00 H new ATOM 938 N ASN A 644 14.672 -7.551 1.630 1.00 0.00 N ATOM 939 CA ASN A 644 16.096 -7.858 1.601 1.00 0.00 C ATOM 940 C ASN A 644 16.433 -8.530 0.265 1.00 0.00 C ATOM 941 O ASN A 644 17.593 -8.803 -0.039 1.00 0.00 O ATOM 942 CB ASN A 644 16.492 -8.768 2.789 1.00 0.00 C ATOM 943 CG ASN A 644 17.999 -8.801 3.032 1.00 0.00 C ATOM 944 OD1 ASN A 644 18.677 -7.676 2.815 1.00 0.00 O flip ATOM 945 ND2 ASN A 644 18.549 -9.829 3.429 1.00 0.00 N flip ATOM 0 H ASN A 644 14.123 -8.155 2.242 1.00 0.00 H new ATOM 0 HA ASN A 644 16.665 -6.933 1.696 1.00 0.00 H new ATOM 0 HB2 ASN A 644 15.991 -8.418 3.691 1.00 0.00 H new ATOM 0 HB3 ASN A 644 16.137 -9.781 2.599 1.00 0.00 H new ATOM 0 HD21 ASN A 644 17.999 -10.674 3.585 1.00 0.00 H new ATOM 0 HD22 ASN A 644 19.554 -9.835 3.602 1.00 0.00 H new ATOM 952 N SER A 645 15.398 -8.766 -0.537 1.00 0.00 N ATOM 953 CA SER A 645 15.550 -9.302 -1.874 1.00 0.00 C ATOM 954 C SER A 645 14.657 -8.510 -2.832 1.00 0.00 C ATOM 955 O SER A 645 13.494 -8.248 -2.515 1.00 0.00 O ATOM 956 CB SER A 645 15.174 -10.784 -1.896 1.00 0.00 C ATOM 957 OG SER A 645 15.958 -11.528 -0.976 1.00 0.00 O ATOM 0 H SER A 645 14.430 -8.588 -0.271 1.00 0.00 H new ATOM 0 HA SER A 645 16.590 -9.211 -2.189 1.00 0.00 H new ATOM 0 HB2 SER A 645 14.118 -10.897 -1.652 1.00 0.00 H new ATOM 0 HB3 SER A 645 15.313 -11.182 -2.901 1.00 0.00 H new ATOM 0 HG SER A 645 15.695 -12.471 -1.010 1.00 0.00 H new ATOM 963 N ARG A 646 15.201 -8.114 -3.981 1.00 0.00 N ATOM 964 CA ARG A 646 14.459 -7.295 -4.945 1.00 0.00 C ATOM 965 C ARG A 646 13.145 -7.957 -5.352 1.00 0.00 C ATOM 966 O ARG A 646 12.084 -7.333 -5.293 1.00 0.00 O ATOM 967 CB ARG A 646 15.309 -7.040 -6.193 1.00 0.00 C ATOM 968 CG ARG A 646 16.493 -6.113 -5.967 1.00 0.00 C ATOM 969 CD ARG A 646 16.057 -4.659 -5.839 1.00 0.00 C ATOM 970 NE ARG A 646 15.378 -4.177 -7.046 1.00 0.00 N ATOM 971 CZ ARG A 646 15.444 -2.921 -7.497 1.00 0.00 C ATOM 972 NH1 ARG A 646 16.192 -2.019 -6.873 1.00 0.00 N ATOM 973 NH2 ARG A 646 14.769 -2.575 -8.587 1.00 0.00 N ATOM 0 H ARG A 646 16.152 -8.345 -4.269 1.00 0.00 H new ATOM 0 HA ARG A 646 14.229 -6.347 -4.458 1.00 0.00 H new ATOM 0 HB2 ARG A 646 15.677 -7.995 -6.569 1.00 0.00 H new ATOM 0 HB3 ARG A 646 14.674 -6.615 -6.970 1.00 0.00 H new ATOM 0 HG2 ARG A 646 17.023 -6.414 -5.064 1.00 0.00 H new ATOM 0 HG3 ARG A 646 17.194 -6.211 -6.796 1.00 0.00 H new ATOM 0 HD2 ARG A 646 15.390 -4.555 -4.983 1.00 0.00 H new ATOM 0 HD3 ARG A 646 16.929 -4.036 -5.641 1.00 0.00 H new ATOM 0 HE ARG A 646 14.818 -4.845 -7.576 1.00 0.00 H new ATOM 0 HH11 ARG A 646 16.722 -2.283 -6.042 1.00 0.00 H new ATOM 0 HH12 ARG A 646 16.237 -1.062 -7.224 1.00 0.00 H new ATOM 0 HH21 ARG A 646 14.202 -3.267 -9.077 1.00 0.00 H new ATOM 0 HH22 ARG A 646 14.817 -1.617 -8.934 1.00 0.00 H new ATOM 987 N ASP A 647 13.222 -9.226 -5.737 1.00 0.00 N ATOM 988 CA ASP A 647 12.042 -9.966 -6.180 1.00 0.00 C ATOM 989 C ASP A 647 11.011 -10.081 -5.059 1.00 0.00 C ATOM 990 O ASP A 647 9.809 -9.945 -5.293 1.00 0.00 O ATOM 991 CB ASP A 647 12.432 -11.360 -6.677 1.00 0.00 C ATOM 992 CG ASP A 647 11.237 -12.141 -7.186 1.00 0.00 C ATOM 993 OD1 ASP A 647 10.728 -11.811 -8.278 1.00 0.00 O ATOM 994 OD2 ASP A 647 10.791 -13.079 -6.490 1.00 0.00 O ATOM 0 H ASP A 647 14.088 -9.765 -5.752 1.00 0.00 H new ATOM 0 HA ASP A 647 11.594 -9.411 -7.004 1.00 0.00 H new ATOM 0 HB2 ASP A 647 13.169 -11.267 -7.474 1.00 0.00 H new ATOM 0 HB3 ASP A 647 12.907 -11.913 -5.867 1.00 0.00 H new ATOM 999 N GLU A 648 11.492 -10.319 -3.845 1.00 0.00 N ATOM 1000 CA GLU A 648 10.616 -10.477 -2.687 1.00 0.00 C ATOM 1001 C GLU A 648 9.808 -9.209 -2.439 1.00 0.00 C ATOM 1002 O GLU A 648 8.602 -9.271 -2.188 1.00 0.00 O ATOM 1003 CB GLU A 648 11.433 -10.835 -1.442 1.00 0.00 C ATOM 1004 CG GLU A 648 10.581 -11.298 -0.275 1.00 0.00 C ATOM 1005 CD GLU A 648 11.412 -11.851 0.860 1.00 0.00 C ATOM 1006 OE1 GLU A 648 12.292 -12.698 0.601 1.00 0.00 O ATOM 1007 OE2 GLU A 648 11.177 -11.461 2.018 1.00 0.00 O ATOM 0 H GLU A 648 12.486 -10.407 -3.635 1.00 0.00 H new ATOM 0 HA GLU A 648 9.922 -11.290 -2.897 1.00 0.00 H new ATOM 0 HB2 GLU A 648 12.145 -11.620 -1.697 1.00 0.00 H new ATOM 0 HB3 GLU A 648 12.014 -9.965 -1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 648 9.983 -10.462 0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 648 9.884 -12.063 -0.618 1.00 0.00 H new ATOM 1014 N TYR A 649 10.478 -8.064 -2.532 1.00 0.00 N ATOM 1015 CA TYR A 649 9.842 -6.772 -2.296 1.00 0.00 C ATOM 1016 C TYR A 649 8.624 -6.586 -3.200 1.00 0.00 C ATOM 1017 O TYR A 649 7.541 -6.234 -2.727 1.00 0.00 O ATOM 1018 CB TYR A 649 10.852 -5.639 -2.526 1.00 0.00 C ATOM 1019 CG TYR A 649 10.430 -4.286 -1.979 1.00 0.00 C ATOM 1020 CD1 TYR A 649 9.470 -4.170 -0.977 1.00 0.00 C ATOM 1021 CD2 TYR A 649 11.014 -3.121 -2.459 1.00 0.00 C ATOM 1022 CE1 TYR A 649 9.106 -2.934 -0.479 1.00 0.00 C ATOM 1023 CE2 TYR A 649 10.657 -1.883 -1.962 1.00 0.00 C ATOM 1024 CZ TYR A 649 9.702 -1.795 -0.973 1.00 0.00 C ATOM 1025 OH TYR A 649 9.345 -0.566 -0.469 1.00 0.00 O ATOM 0 H TYR A 649 11.468 -8.005 -2.771 1.00 0.00 H new ATOM 0 HA TYR A 649 9.502 -6.743 -1.261 1.00 0.00 H new ATOM 0 HB2 TYR A 649 11.801 -5.919 -2.069 1.00 0.00 H new ATOM 0 HB3 TYR A 649 11.030 -5.542 -3.597 1.00 0.00 H new ATOM 0 HD1 TYR A 649 9.003 -5.060 -0.583 1.00 0.00 H new ATOM 0 HD2 TYR A 649 11.762 -3.184 -3.236 1.00 0.00 H new ATOM 0 HE1 TYR A 649 8.357 -2.861 0.295 1.00 0.00 H new ATOM 0 HE2 TYR A 649 11.124 -0.988 -2.347 1.00 0.00 H new ATOM 0 HH TYR A 649 9.074 -0.663 0.468 1.00 0.00 H new ATOM 1035 N TYR A 650 8.795 -6.842 -4.495 1.00 0.00 N ATOM 1036 CA TYR A 650 7.722 -6.721 -5.455 1.00 0.00 C ATOM 1037 C TYR A 650 6.605 -7.722 -5.183 1.00 0.00 C ATOM 1038 O TYR A 650 5.425 -7.398 -5.325 1.00 0.00 O ATOM 1039 CB TYR A 650 8.287 -6.906 -6.857 1.00 0.00 C ATOM 1040 CG TYR A 650 9.007 -5.688 -7.389 1.00 0.00 C ATOM 1041 CD1 TYR A 650 10.362 -5.492 -7.151 1.00 0.00 C ATOM 1042 CD2 TYR A 650 8.327 -4.731 -8.132 1.00 0.00 C ATOM 1043 CE1 TYR A 650 11.018 -4.377 -7.638 1.00 0.00 C ATOM 1044 CE2 TYR A 650 8.975 -3.615 -8.623 1.00 0.00 C ATOM 1045 CZ TYR A 650 10.320 -3.442 -8.374 1.00 0.00 C ATOM 1046 OH TYR A 650 10.969 -2.332 -8.865 1.00 0.00 O ATOM 0 H TYR A 650 9.683 -7.138 -4.899 1.00 0.00 H new ATOM 0 HA TYR A 650 7.283 -5.727 -5.365 1.00 0.00 H new ATOM 0 HB2 TYR A 650 8.976 -7.751 -6.853 1.00 0.00 H new ATOM 0 HB3 TYR A 650 7.473 -7.161 -7.536 1.00 0.00 H new ATOM 0 HD1 TYR A 650 10.912 -6.223 -6.576 1.00 0.00 H new ATOM 0 HD2 TYR A 650 7.273 -4.862 -8.329 1.00 0.00 H new ATOM 0 HE1 TYR A 650 12.071 -4.239 -7.443 1.00 0.00 H new ATOM 0 HE2 TYR A 650 8.431 -2.881 -9.199 1.00 0.00 H new ATOM 0 HH TYR A 650 10.334 -1.775 -9.362 1.00 0.00 H new ATOM 1056 N HIS A 651 6.976 -8.936 -4.779 1.00 0.00 N ATOM 1057 CA HIS A 651 6.002 -10.005 -4.580 1.00 0.00 C ATOM 1058 C HIS A 651 5.059 -9.661 -3.433 1.00 0.00 C ATOM 1059 O HIS A 651 3.853 -9.901 -3.510 1.00 0.00 O ATOM 1060 CB HIS A 651 6.709 -11.334 -4.293 1.00 0.00 C ATOM 1061 CG HIS A 651 5.767 -12.491 -4.152 1.00 0.00 C ATOM 1062 ND1 HIS A 651 5.587 -13.180 -2.971 1.00 0.00 N ATOM 1063 CD2 HIS A 651 4.952 -13.080 -5.056 1.00 0.00 C ATOM 1064 CE1 HIS A 651 4.704 -14.141 -3.158 1.00 0.00 C ATOM 1065 NE2 HIS A 651 4.302 -14.100 -4.413 1.00 0.00 N ATOM 0 H HIS A 651 7.941 -9.202 -4.584 1.00 0.00 H new ATOM 0 HA HIS A 651 5.421 -10.108 -5.496 1.00 0.00 H new ATOM 0 HB2 HIS A 651 7.413 -11.544 -5.099 1.00 0.00 H new ATOM 0 HB3 HIS A 651 7.292 -11.236 -3.377 1.00 0.00 H new ATOM 0 HD2 HIS A 651 4.835 -12.799 -6.092 1.00 0.00 H new ATOM 0 HE1 HIS A 651 4.367 -14.843 -2.410 1.00 0.00 H new ATOM 0 HE2 HIS A 651 3.618 -14.727 -4.837 1.00 0.00 H new ATOM 1074 N LEU A 652 5.623 -9.101 -2.370 1.00 0.00 N ATOM 1075 CA LEU A 652 4.852 -8.750 -1.188 1.00 0.00 C ATOM 1076 C LEU A 652 3.788 -7.714 -1.518 1.00 0.00 C ATOM 1077 O LEU A 652 2.610 -7.912 -1.243 1.00 0.00 O ATOM 1078 CB LEU A 652 5.783 -8.193 -0.115 1.00 0.00 C ATOM 1079 CG LEU A 652 6.825 -9.170 0.422 1.00 0.00 C ATOM 1080 CD1 LEU A 652 7.929 -8.413 1.137 1.00 0.00 C ATOM 1081 CD2 LEU A 652 6.177 -10.171 1.364 1.00 0.00 C ATOM 0 H LEU A 652 6.617 -8.880 -2.304 1.00 0.00 H new ATOM 0 HA LEU A 652 4.359 -9.651 -0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 652 6.301 -7.325 -0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 652 5.177 -7.840 0.720 1.00 0.00 H new ATOM 0 HG LEU A 652 7.258 -9.715 -0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 652 8.668 -9.119 1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 652 8.409 -7.725 0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 652 7.505 -7.850 1.968 1.00 0.00 H new ATOM 0 HD21 LEU A 652 6.933 -10.861 1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 652 5.723 -9.641 2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 652 5.409 -10.730 0.829 1.00 0.00 H new ATOM 1093 N LEU A 653 4.211 -6.625 -2.145 1.00 0.00 N ATOM 1094 CA LEU A 653 3.302 -5.541 -2.492 1.00 0.00 C ATOM 1095 C LEU A 653 2.201 -6.024 -3.432 1.00 0.00 C ATOM 1096 O LEU A 653 1.026 -5.719 -3.225 1.00 0.00 O ATOM 1097 CB LEU A 653 4.082 -4.380 -3.109 1.00 0.00 C ATOM 1098 CG LEU A 653 4.931 -3.586 -2.113 1.00 0.00 C ATOM 1099 CD1 LEU A 653 6.166 -3.030 -2.792 1.00 0.00 C ATOM 1100 CD2 LEU A 653 4.120 -2.452 -1.501 1.00 0.00 C ATOM 0 H LEU A 653 5.179 -6.469 -2.424 1.00 0.00 H new ATOM 0 HA LEU A 653 2.820 -5.189 -1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 653 4.733 -4.771 -3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 653 3.378 -3.701 -3.590 1.00 0.00 H new ATOM 0 HG LEU A 653 5.242 -4.263 -1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 653 6.757 -2.469 -2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 653 6.763 -3.851 -3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 653 5.867 -2.370 -3.607 1.00 0.00 H new ATOM 0 HD21 LEU A 653 4.741 -1.900 -0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 653 3.781 -1.780 -2.290 1.00 0.00 H new ATOM 0 HD23 LEU A 653 3.256 -2.863 -0.979 1.00 0.00 H new ATOM 1112 N ALA A 654 2.584 -6.800 -4.440 1.00 0.00 N ATOM 1113 CA ALA A 654 1.627 -7.359 -5.390 1.00 0.00 C ATOM 1114 C ALA A 654 0.553 -8.192 -4.686 1.00 0.00 C ATOM 1115 O ALA A 654 -0.632 -8.101 -5.024 1.00 0.00 O ATOM 1116 CB ALA A 654 2.348 -8.204 -6.426 1.00 0.00 C ATOM 0 H ALA A 654 3.554 -7.057 -4.621 1.00 0.00 H new ATOM 0 HA ALA A 654 1.130 -6.526 -5.887 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.623 -8.615 -7.129 1.00 0.00 H new ATOM 0 HB2 ALA A 654 3.065 -7.585 -6.965 1.00 0.00 H new ATOM 0 HB3 ALA A 654 2.874 -9.019 -5.929 1.00 0.00 H new ATOM 1122 N GLU A 655 0.975 -8.992 -3.707 1.00 0.00 N ATOM 1123 CA GLU A 655 0.046 -9.850 -2.963 1.00 0.00 C ATOM 1124 C GLU A 655 -1.027 -9.022 -2.262 1.00 0.00 C ATOM 1125 O GLU A 655 -2.222 -9.303 -2.391 1.00 0.00 O ATOM 1126 CB GLU A 655 0.777 -10.720 -1.924 1.00 0.00 C ATOM 1127 CG GLU A 655 -0.127 -11.177 -0.788 1.00 0.00 C ATOM 1128 CD GLU A 655 0.597 -11.989 0.257 1.00 0.00 C ATOM 1129 OE1 GLU A 655 1.133 -11.391 1.213 1.00 0.00 O ATOM 1130 OE2 GLU A 655 0.621 -13.229 0.136 1.00 0.00 O ATOM 0 H GLU A 655 1.948 -9.066 -3.410 1.00 0.00 H new ATOM 0 HA GLU A 655 -0.426 -10.506 -3.694 1.00 0.00 H new ATOM 0 HB2 GLU A 655 1.196 -11.595 -2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 655 1.614 -10.157 -1.511 1.00 0.00 H new ATOM 0 HG2 GLU A 655 -0.574 -10.303 -0.314 1.00 0.00 H new ATOM 0 HG3 GLU A 655 -0.944 -11.770 -1.199 1.00 0.00 H new ATOM 1137 N LYS A 656 -0.600 -7.997 -1.532 1.00 0.00 N ATOM 1138 CA LYS A 656 -1.524 -7.187 -0.747 1.00 0.00 C ATOM 1139 C LYS A 656 -2.495 -6.440 -1.653 1.00 0.00 C ATOM 1140 O LYS A 656 -3.684 -6.344 -1.351 1.00 0.00 O ATOM 1141 CB LYS A 656 -0.777 -6.205 0.168 1.00 0.00 C ATOM 1142 CG LYS A 656 -0.187 -6.844 1.426 1.00 0.00 C ATOM 1143 CD LYS A 656 1.008 -7.724 1.101 1.00 0.00 C ATOM 1144 CE LYS A 656 1.700 -8.249 2.350 1.00 0.00 C ATOM 1145 NZ LYS A 656 0.974 -9.387 2.962 1.00 0.00 N ATOM 0 H LYS A 656 0.376 -7.708 -1.468 1.00 0.00 H new ATOM 0 HA LYS A 656 -2.094 -7.865 -0.112 1.00 0.00 H new ATOM 0 HB2 LYS A 656 0.027 -5.737 -0.400 1.00 0.00 H new ATOM 0 HB3 LYS A 656 -1.461 -5.410 0.465 1.00 0.00 H new ATOM 0 HG2 LYS A 656 0.115 -6.063 2.124 1.00 0.00 H new ATOM 0 HG3 LYS A 656 -0.952 -7.439 1.925 1.00 0.00 H new ATOM 0 HD2 LYS A 656 0.681 -8.565 0.490 1.00 0.00 H new ATOM 0 HD3 LYS A 656 1.722 -7.156 0.505 1.00 0.00 H new ATOM 0 HE2 LYS A 656 2.713 -8.562 2.097 1.00 0.00 H new ATOM 0 HE3 LYS A 656 1.788 -7.443 3.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 656 1.510 -9.742 3.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 656 0.034 -9.071 3.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 656 0.867 -10.148 2.261 1.00 0.00 H new ATOM 1159 N ILE A 657 -1.990 -5.931 -2.773 1.00 0.00 N ATOM 1160 CA ILE A 657 -2.830 -5.220 -3.728 1.00 0.00 C ATOM 1161 C ILE A 657 -3.881 -6.159 -4.314 1.00 0.00 C ATOM 1162 O ILE A 657 -5.058 -5.809 -4.408 1.00 0.00 O ATOM 1163 CB ILE A 657 -1.986 -4.601 -4.872 1.00 0.00 C ATOM 1164 CG1 ILE A 657 -1.017 -3.556 -4.309 1.00 0.00 C ATOM 1165 CG2 ILE A 657 -2.888 -3.978 -5.932 1.00 0.00 C ATOM 1166 CD1 ILE A 657 -0.093 -2.953 -5.349 1.00 0.00 C ATOM 0 H ILE A 657 -1.008 -5.998 -3.040 1.00 0.00 H new ATOM 0 HA ILE A 657 -3.327 -4.411 -3.192 1.00 0.00 H new ATOM 0 HB ILE A 657 -1.407 -5.395 -5.343 1.00 0.00 H new ATOM 0 HG12 ILE A 657 -1.592 -2.757 -3.840 1.00 0.00 H new ATOM 0 HG13 ILE A 657 -0.415 -4.017 -3.526 1.00 0.00 H new ATOM 0 HG21 ILE A 657 -2.275 -3.550 -6.725 1.00 0.00 H new ATOM 0 HG22 ILE A 657 -3.540 -4.744 -6.351 1.00 0.00 H new ATOM 0 HG23 ILE A 657 -3.494 -3.194 -5.479 1.00 0.00 H new ATOM 0 HD11 ILE A 657 0.562 -2.223 -4.874 1.00 0.00 H new ATOM 0 HD12 ILE A 657 0.509 -3.741 -5.801 1.00 0.00 H new ATOM 0 HD13 ILE A 657 -0.685 -2.461 -6.121 1.00 0.00 H new ATOM 1178 N TYR A 658 -3.453 -7.363 -4.687 1.00 0.00 N ATOM 1179 CA TYR A 658 -4.370 -8.352 -5.252 1.00 0.00 C ATOM 1180 C TYR A 658 -5.412 -8.766 -4.213 1.00 0.00 C ATOM 1181 O TYR A 658 -6.576 -8.958 -4.551 1.00 0.00 O ATOM 1182 CB TYR A 658 -3.630 -9.583 -5.807 1.00 0.00 C ATOM 1183 CG TYR A 658 -4.442 -10.384 -6.812 1.00 0.00 C ATOM 1184 CD1 TYR A 658 -5.074 -9.752 -7.881 1.00 0.00 C ATOM 1185 CD2 TYR A 658 -4.590 -11.767 -6.695 1.00 0.00 C ATOM 1186 CE1 TYR A 658 -5.820 -10.468 -8.796 1.00 0.00 C ATOM 1187 CE2 TYR A 658 -5.337 -12.484 -7.609 1.00 0.00 C ATOM 1188 CZ TYR A 658 -5.950 -11.831 -8.653 1.00 0.00 C ATOM 1189 OH TYR A 658 -6.694 -12.546 -9.566 1.00 0.00 O ATOM 0 H TYR A 658 -2.485 -7.676 -4.610 1.00 0.00 H new ATOM 0 HA TYR A 658 -4.878 -7.882 -6.094 1.00 0.00 H new ATOM 0 HB2 TYR A 658 -2.704 -9.256 -6.280 1.00 0.00 H new ATOM 0 HB3 TYR A 658 -3.352 -10.233 -4.977 1.00 0.00 H new ATOM 0 HD1 TYR A 658 -4.979 -8.682 -7.996 1.00 0.00 H new ATOM 0 HD2 TYR A 658 -4.113 -12.285 -5.876 1.00 0.00 H new ATOM 0 HE1 TYR A 658 -6.299 -9.961 -9.620 1.00 0.00 H new ATOM 0 HE2 TYR A 658 -5.440 -13.554 -7.504 1.00 0.00 H new ATOM 0 HH TYR A 658 -6.685 -13.495 -9.323 1.00 0.00 H new ATOM 1199 N LYS A 659 -4.992 -8.900 -2.948 1.00 0.00 N ATOM 1200 CA LYS A 659 -5.915 -9.272 -1.877 1.00 0.00 C ATOM 1201 C LYS A 659 -7.070 -8.283 -1.796 1.00 0.00 C ATOM 1202 O LYS A 659 -8.231 -8.678 -1.721 1.00 0.00 O ATOM 1203 CB LYS A 659 -5.193 -9.347 -0.528 1.00 0.00 C ATOM 1204 CG LYS A 659 -4.404 -10.632 -0.315 1.00 0.00 C ATOM 1205 CD LYS A 659 -5.322 -11.846 -0.238 1.00 0.00 C ATOM 1206 CE LYS A 659 -4.553 -13.125 0.069 1.00 0.00 C ATOM 1207 NZ LYS A 659 -3.674 -13.538 -1.054 1.00 0.00 N ATOM 0 H LYS A 659 -4.028 -8.757 -2.647 1.00 0.00 H new ATOM 0 HA LYS A 659 -6.313 -10.260 -2.110 1.00 0.00 H new ATOM 0 HB2 LYS A 659 -4.514 -8.498 -0.444 1.00 0.00 H new ATOM 0 HB3 LYS A 659 -5.928 -9.248 0.271 1.00 0.00 H new ATOM 0 HG2 LYS A 659 -3.694 -10.763 -1.131 1.00 0.00 H new ATOM 0 HG3 LYS A 659 -3.823 -10.555 0.604 1.00 0.00 H new ATOM 0 HD2 LYS A 659 -6.076 -11.682 0.532 1.00 0.00 H new ATOM 0 HD3 LYS A 659 -5.852 -11.960 -1.183 1.00 0.00 H new ATOM 0 HE2 LYS A 659 -3.949 -12.977 0.964 1.00 0.00 H new ATOM 0 HE3 LYS A 659 -5.258 -13.926 0.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 659 -3.198 -14.430 -0.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 659 -4.247 -13.673 -1.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 659 -2.961 -12.801 -1.226 1.00 0.00 H new ATOM 1221 N ILE A 660 -6.742 -6.998 -1.836 1.00 0.00 N ATOM 1222 CA ILE A 660 -7.754 -5.948 -1.836 1.00 0.00 C ATOM 1223 C ILE A 660 -8.658 -6.053 -3.065 1.00 0.00 C ATOM 1224 O ILE A 660 -9.871 -5.855 -2.973 1.00 0.00 O ATOM 1225 CB ILE A 660 -7.114 -4.540 -1.725 1.00 0.00 C ATOM 1226 CG1 ILE A 660 -7.205 -4.057 -0.284 1.00 0.00 C ATOM 1227 CG2 ILE A 660 -7.765 -3.523 -2.664 1.00 0.00 C ATOM 1228 CD1 ILE A 660 -6.547 -2.719 -0.063 1.00 0.00 C ATOM 0 H ILE A 660 -5.781 -6.657 -1.869 1.00 0.00 H new ATOM 0 HA ILE A 660 -8.376 -6.092 -0.953 1.00 0.00 H new ATOM 0 HB ILE A 660 -6.071 -4.626 -2.028 1.00 0.00 H new ATOM 0 HG12 ILE A 660 -8.254 -3.991 0.004 1.00 0.00 H new ATOM 0 HG13 ILE A 660 -6.741 -4.795 0.370 1.00 0.00 H new ATOM 0 HG21 ILE A 660 -7.279 -2.555 -2.545 1.00 0.00 H new ATOM 0 HG22 ILE A 660 -7.657 -3.859 -3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 660 -8.824 -3.429 -2.421 1.00 0.00 H new ATOM 0 HD11 ILE A 660 -6.647 -2.433 0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 660 -5.490 -2.786 -0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 660 -7.027 -1.969 -0.692 1.00 0.00 H new ATOM 1240 N GLN A 661 -8.069 -6.398 -4.205 1.00 0.00 N ATOM 1241 CA GLN A 661 -8.831 -6.500 -5.453 1.00 0.00 C ATOM 1242 C GLN A 661 -9.843 -7.634 -5.347 1.00 0.00 C ATOM 1243 O GLN A 661 -10.983 -7.519 -5.805 1.00 0.00 O ATOM 1244 CB GLN A 661 -7.923 -6.711 -6.678 1.00 0.00 C ATOM 1245 CG GLN A 661 -7.007 -5.527 -6.990 1.00 0.00 C ATOM 1246 CD GLN A 661 -6.179 -5.747 -8.239 1.00 0.00 C ATOM 1247 OE1 GLN A 661 -5.839 -6.877 -8.585 1.00 0.00 O ATOM 1248 NE2 GLN A 661 -5.844 -4.668 -8.923 1.00 0.00 N ATOM 0 H GLN A 661 -7.076 -6.611 -4.295 1.00 0.00 H new ATOM 0 HA GLN A 661 -9.351 -5.553 -5.599 1.00 0.00 H new ATOM 0 HB2 GLN A 661 -7.310 -7.597 -6.513 1.00 0.00 H new ATOM 0 HB3 GLN A 661 -8.547 -6.912 -7.549 1.00 0.00 H new ATOM 0 HG2 GLN A 661 -7.610 -4.627 -7.112 1.00 0.00 H new ATOM 0 HG3 GLN A 661 -6.343 -5.353 -6.144 1.00 0.00 H new ATOM 0 HE21 GLN A 661 -6.146 -3.748 -8.603 1.00 0.00 H new ATOM 0 HE22 GLN A 661 -5.284 -4.755 -9.771 1.00 0.00 H new ATOM 1257 N LYS A 662 -9.409 -8.732 -4.739 1.00 0.00 N ATOM 1258 CA LYS A 662 -10.268 -9.882 -4.509 1.00 0.00 C ATOM 1259 C LYS A 662 -11.397 -9.523 -3.543 1.00 0.00 C ATOM 1260 O LYS A 662 -12.542 -9.930 -3.734 1.00 0.00 O ATOM 1261 CB LYS A 662 -9.448 -11.054 -3.964 1.00 0.00 C ATOM 1262 CG LYS A 662 -8.303 -11.476 -4.877 1.00 0.00 C ATOM 1263 CD LYS A 662 -7.504 -12.640 -4.299 1.00 0.00 C ATOM 1264 CE LYS A 662 -8.109 -13.996 -4.651 1.00 0.00 C ATOM 1265 NZ LYS A 662 -9.498 -14.156 -4.148 1.00 0.00 N ATOM 0 H LYS A 662 -8.456 -8.848 -4.394 1.00 0.00 H new ATOM 0 HA LYS A 662 -10.712 -10.180 -5.459 1.00 0.00 H new ATOM 0 HB2 LYS A 662 -9.043 -10.781 -2.990 1.00 0.00 H new ATOM 0 HB3 LYS A 662 -10.109 -11.906 -3.807 1.00 0.00 H new ATOM 0 HG2 LYS A 662 -8.703 -11.760 -5.851 1.00 0.00 H new ATOM 0 HG3 LYS A 662 -7.639 -10.627 -5.040 1.00 0.00 H new ATOM 0 HD2 LYS A 662 -6.481 -12.595 -4.672 1.00 0.00 H new ATOM 0 HD3 LYS A 662 -7.453 -12.539 -3.215 1.00 0.00 H new ATOM 0 HE2 LYS A 662 -8.103 -14.121 -5.734 1.00 0.00 H new ATOM 0 HE3 LYS A 662 -7.484 -14.786 -4.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 662 -9.761 -15.162 -4.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 662 -9.556 -13.804 -3.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 662 -10.150 -13.614 -4.751 1.00 0.00 H new ATOM 1279 N GLU A 663 -11.064 -8.749 -2.511 1.00 0.00 N ATOM 1280 CA GLU A 663 -12.051 -8.296 -1.532 1.00 0.00 C ATOM 1281 C GLU A 663 -13.124 -7.442 -2.196 1.00 0.00 C ATOM 1282 O GLU A 663 -14.318 -7.653 -1.983 1.00 0.00 O ATOM 1283 CB GLU A 663 -11.373 -7.494 -0.419 1.00 0.00 C ATOM 1284 CG GLU A 663 -10.495 -8.329 0.499 1.00 0.00 C ATOM 1285 CD GLU A 663 -11.301 -9.212 1.427 1.00 0.00 C ATOM 1286 OE1 GLU A 663 -11.712 -10.313 1.008 1.00 0.00 O ATOM 1287 OE2 GLU A 663 -11.540 -8.800 2.583 1.00 0.00 O ATOM 0 H GLU A 663 -10.115 -8.422 -2.331 1.00 0.00 H new ATOM 0 HA GLU A 663 -12.523 -9.179 -1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 663 -10.766 -6.709 -0.869 1.00 0.00 H new ATOM 0 HB3 GLU A 663 -12.140 -7.001 0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 663 -9.832 -8.950 -0.104 1.00 0.00 H new ATOM 0 HG3 GLU A 663 -9.862 -7.668 1.091 1.00 0.00 H new ATOM 1294 N LEU A 664 -12.690 -6.479 -3.005 1.00 0.00 N ATOM 1295 CA LEU A 664 -13.612 -5.607 -3.725 1.00 0.00 C ATOM 1296 C LEU A 664 -14.516 -6.434 -4.625 1.00 0.00 C ATOM 1297 O LEU A 664 -15.715 -6.176 -4.731 1.00 0.00 O ATOM 1298 CB LEU A 664 -12.842 -4.582 -4.566 1.00 0.00 C ATOM 1299 CG LEU A 664 -11.924 -3.641 -3.783 1.00 0.00 C ATOM 1300 CD1 LEU A 664 -11.173 -2.720 -4.731 1.00 0.00 C ATOM 1301 CD2 LEU A 664 -12.722 -2.829 -2.773 1.00 0.00 C ATOM 0 H LEU A 664 -11.704 -6.283 -3.178 1.00 0.00 H new ATOM 0 HA LEU A 664 -14.221 -5.073 -2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 664 -12.241 -5.119 -5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 664 -13.561 -3.980 -5.121 1.00 0.00 H new ATOM 0 HG LEU A 664 -11.198 -4.245 -3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 664 -10.525 -2.058 -4.157 1.00 0.00 H new ATOM 0 HD12 LEU A 664 -10.569 -3.316 -5.415 1.00 0.00 H new ATOM 0 HD13 LEU A 664 -11.886 -2.125 -5.301 1.00 0.00 H new ATOM 0 HD21 LEU A 664 -12.051 -2.166 -2.227 1.00 0.00 H new ATOM 0 HD22 LEU A 664 -13.472 -2.235 -3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 664 -13.215 -3.503 -2.073 1.00 0.00 H new ATOM 1313 N GLU A 665 -13.923 -7.435 -5.260 1.00 0.00 N ATOM 1314 CA GLU A 665 -14.654 -8.344 -6.126 1.00 0.00 C ATOM 1315 C GLU A 665 -15.738 -9.074 -5.338 1.00 0.00 C ATOM 1316 O GLU A 665 -16.903 -9.071 -5.727 1.00 0.00 O ATOM 1317 CB GLU A 665 -13.677 -9.351 -6.734 1.00 0.00 C ATOM 1318 CG GLU A 665 -14.323 -10.395 -7.626 1.00 0.00 C ATOM 1319 CD GLU A 665 -13.337 -11.459 -8.053 1.00 0.00 C ATOM 1320 OE1 GLU A 665 -12.586 -11.228 -9.027 1.00 0.00 O ATOM 1321 OE2 GLU A 665 -13.297 -12.528 -7.411 1.00 0.00 O ATOM 0 H GLU A 665 -12.926 -7.638 -5.189 1.00 0.00 H new ATOM 0 HA GLU A 665 -15.135 -7.775 -6.922 1.00 0.00 H new ATOM 0 HB2 GLU A 665 -12.930 -8.809 -7.313 1.00 0.00 H new ATOM 0 HB3 GLU A 665 -13.148 -9.858 -5.927 1.00 0.00 H new ATOM 0 HG2 GLU A 665 -15.154 -10.861 -7.096 1.00 0.00 H new ATOM 0 HG3 GLU A 665 -14.740 -9.911 -8.509 1.00 0.00 H new ATOM 1328 N GLU A 666 -15.342 -9.654 -4.210 1.00 0.00 N ATOM 1329 CA GLU A 666 -16.255 -10.413 -3.362 1.00 0.00 C ATOM 1330 C GLU A 666 -17.414 -9.569 -2.848 1.00 0.00 C ATOM 1331 O GLU A 666 -18.545 -10.046 -2.785 1.00 0.00 O ATOM 1332 CB GLU A 666 -15.507 -11.038 -2.188 1.00 0.00 C ATOM 1333 CG GLU A 666 -15.009 -12.439 -2.480 1.00 0.00 C ATOM 1334 CD GLU A 666 -16.145 -13.397 -2.780 1.00 0.00 C ATOM 1335 OE1 GLU A 666 -16.823 -13.835 -1.829 1.00 0.00 O ATOM 1336 OE2 GLU A 666 -16.372 -13.714 -3.967 1.00 0.00 O ATOM 0 H GLU A 666 -14.385 -9.612 -3.859 1.00 0.00 H new ATOM 0 HA GLU A 666 -16.676 -11.202 -3.986 1.00 0.00 H new ATOM 0 HB2 GLU A 666 -14.659 -10.405 -1.926 1.00 0.00 H new ATOM 0 HB3 GLU A 666 -16.165 -11.066 -1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 666 -14.325 -12.411 -3.329 1.00 0.00 H new ATOM 0 HG3 GLU A 666 -14.441 -12.807 -1.625 1.00 0.00 H new ATOM 1531 N LEU B 845 -5.951 -6.573 3.860 1.00 0.00 N ATOM 1532 CA LEU B 845 -6.063 -5.230 4.413 1.00 0.00 C ATOM 1533 C LEU B 845 -7.421 -5.046 5.093 1.00 0.00 C ATOM 1534 O LEU B 845 -8.408 -5.663 4.690 1.00 0.00 O ATOM 1535 CB LEU B 845 -5.841 -4.169 3.326 1.00 0.00 C ATOM 1536 CG LEU B 845 -4.414 -4.110 2.758 1.00 0.00 C ATOM 1537 CD1 LEU B 845 -4.239 -5.087 1.602 1.00 0.00 C ATOM 1538 CD2 LEU B 845 -4.062 -2.696 2.322 1.00 0.00 C ATOM 0 HA LEU B 845 -5.284 -5.101 5.165 1.00 0.00 H new ATOM 0 HB2 LEU B 845 -6.534 -4.359 2.507 1.00 0.00 H new ATOM 0 HB3 LEU B 845 -6.093 -3.191 3.737 1.00 0.00 H new ATOM 0 HG LEU B 845 -3.729 -4.404 3.553 1.00 0.00 H new ATOM 0 HD11 LEU B 845 -3.220 -5.022 1.222 1.00 0.00 H new ATOM 0 HD12 LEU B 845 -4.432 -6.102 1.951 1.00 0.00 H new ATOM 0 HD13 LEU B 845 -4.940 -4.838 0.806 1.00 0.00 H new ATOM 0 HD21 LEU B 845 -3.048 -2.680 1.924 1.00 0.00 H new ATOM 0 HD22 LEU B 845 -4.760 -2.369 1.551 1.00 0.00 H new ATOM 0 HD23 LEU B 845 -4.126 -2.025 3.178 1.00 0.00 H new ATOM 1550 N PRO B 846 -7.468 -4.201 6.144 1.00 0.00 N ATOM 1551 CA PRO B 846 -8.655 -4.033 7.003 1.00 0.00 C ATOM 1552 C PRO B 846 -9.943 -3.737 6.238 1.00 0.00 C ATOM 1553 O PRO B 846 -9.980 -2.897 5.334 1.00 0.00 O ATOM 1554 CB PRO B 846 -8.293 -2.835 7.882 1.00 0.00 C ATOM 1555 CG PRO B 846 -6.809 -2.827 7.921 1.00 0.00 C ATOM 1556 CD PRO B 846 -6.359 -3.330 6.581 1.00 0.00 C ATOM 0 HA PRO B 846 -8.866 -4.954 7.546 1.00 0.00 H new ATOM 0 HB2 PRO B 846 -8.683 -1.906 7.465 1.00 0.00 H new ATOM 0 HB3 PRO B 846 -8.714 -2.937 8.882 1.00 0.00 H new ATOM 0 HG2 PRO B 846 -6.429 -1.823 8.109 1.00 0.00 H new ATOM 0 HG3 PRO B 846 -6.436 -3.464 8.723 1.00 0.00 H new ATOM 0 HD2 PRO B 846 -6.193 -2.511 5.881 1.00 0.00 H new ATOM 0 HD3 PRO B 846 -5.422 -3.881 6.654 1.00 0.00 H new ATOM 1564 N SER B 847 -10.998 -4.436 6.645 1.00 0.00 N ATOM 1565 CA SER B 847 -12.332 -4.271 6.092 1.00 0.00 C ATOM 1566 C SER B 847 -12.832 -2.839 6.283 1.00 0.00 C ATOM 1567 O SER B 847 -13.510 -2.293 5.418 1.00 0.00 O ATOM 1568 CB SER B 847 -13.288 -5.253 6.763 1.00 0.00 C ATOM 1569 OG SER B 847 -12.789 -6.578 6.677 1.00 0.00 O ATOM 0 H SER B 847 -10.946 -5.142 7.379 1.00 0.00 H new ATOM 0 HA SER B 847 -12.292 -4.474 5.022 1.00 0.00 H new ATOM 0 HB2 SER B 847 -13.425 -4.978 7.809 1.00 0.00 H new ATOM 0 HB3 SER B 847 -14.267 -5.197 6.288 1.00 0.00 H new ATOM 0 HG SER B 847 -13.415 -7.192 7.114 1.00 0.00 H new ATOM 1575 N ASP B 848 -12.504 -2.252 7.432 1.00 0.00 N ATOM 1576 CA ASP B 848 -12.974 -0.908 7.783 1.00 0.00 C ATOM 1577 C ASP B 848 -12.552 0.134 6.742 1.00 0.00 C ATOM 1578 O ASP B 848 -13.348 0.991 6.360 1.00 0.00 O ATOM 1579 CB ASP B 848 -12.454 -0.497 9.160 1.00 0.00 C ATOM 1580 CG ASP B 848 -13.109 0.774 9.662 1.00 0.00 C ATOM 1581 OD1 ASP B 848 -14.207 0.686 10.247 1.00 0.00 O ATOM 1582 OD2 ASP B 848 -12.529 1.864 9.478 1.00 0.00 O ATOM 0 H ASP B 848 -11.912 -2.686 8.140 1.00 0.00 H new ATOM 0 HA ASP B 848 -14.063 -0.946 7.804 1.00 0.00 H new ATOM 0 HB2 ASP B 848 -12.636 -1.303 9.871 1.00 0.00 H new ATOM 0 HB3 ASP B 848 -11.375 -0.353 9.111 1.00 0.00 H new ATOM 1587 N ILE B 849 -11.301 0.066 6.284 1.00 0.00 N ATOM 1588 CA ILE B 849 -10.823 0.987 5.249 1.00 0.00 C ATOM 1589 C ILE B 849 -11.598 0.745 3.953 1.00 0.00 C ATOM 1590 O ILE B 849 -11.947 1.684 3.235 1.00 0.00 O ATOM 1591 CB ILE B 849 -9.299 0.860 4.983 1.00 0.00 C ATOM 1592 CG1 ILE B 849 -8.516 0.836 6.305 1.00 0.00 C ATOM 1593 CG2 ILE B 849 -8.820 2.022 4.115 1.00 0.00 C ATOM 1594 CD1 ILE B 849 -8.610 2.119 7.117 1.00 0.00 C ATOM 0 H ILE B 849 -10.607 -0.608 6.608 1.00 0.00 H new ATOM 0 HA ILE B 849 -10.997 1.999 5.613 1.00 0.00 H new ATOM 0 HB ILE B 849 -9.119 -0.078 4.457 1.00 0.00 H new ATOM 0 HG12 ILE B 849 -8.880 0.008 6.913 1.00 0.00 H new ATOM 0 HG13 ILE B 849 -7.467 0.634 6.088 1.00 0.00 H new ATOM 0 HG21 ILE B 849 -7.750 1.924 3.934 1.00 0.00 H new ATOM 0 HG22 ILE B 849 -9.352 2.009 3.164 1.00 0.00 H new ATOM 0 HG23 ILE B 849 -9.016 2.964 4.627 1.00 0.00 H new ATOM 0 HD11 ILE B 849 -8.028 2.013 8.033 1.00 0.00 H new ATOM 0 HD12 ILE B 849 -8.217 2.950 6.531 1.00 0.00 H new ATOM 0 HD13 ILE B 849 -9.652 2.314 7.370 1.00 0.00 H new ATOM 1606 N MET B 850 -11.860 -0.529 3.669 1.00 0.00 N ATOM 1607 CA MET B 850 -12.677 -0.923 2.521 1.00 0.00 C ATOM 1608 C MET B 850 -14.060 -0.278 2.594 1.00 0.00 C ATOM 1609 O MET B 850 -14.607 0.144 1.579 1.00 0.00 O ATOM 1610 CB MET B 850 -12.817 -2.450 2.445 1.00 0.00 C ATOM 1611 CG MET B 850 -11.513 -3.197 2.179 1.00 0.00 C ATOM 1612 SD MET B 850 -10.796 -2.836 0.560 1.00 0.00 S ATOM 1613 CE MET B 850 -9.738 -1.436 0.931 1.00 0.00 C ATOM 0 H MET B 850 -11.515 -1.313 4.223 1.00 0.00 H new ATOM 0 HA MET B 850 -12.173 -0.574 1.620 1.00 0.00 H new ATOM 0 HB2 MET B 850 -13.241 -2.810 3.382 1.00 0.00 H new ATOM 0 HB3 MET B 850 -13.529 -2.697 1.657 1.00 0.00 H new ATOM 0 HG2 MET B 850 -10.791 -2.939 2.954 1.00 0.00 H new ATOM 0 HG3 MET B 850 -11.695 -4.269 2.257 1.00 0.00 H new ATOM 0 HE1 MET B 850 -8.963 -1.353 0.169 1.00 0.00 H new ATOM 0 HE2 MET B 850 -10.334 -0.523 0.944 1.00 0.00 H new ATOM 0 HE3 MET B 850 -9.273 -1.580 1.906 1.00 0.00 H new