USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 770 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 ASN : amide:sc= 0.00191 K(o=0.0048,f=-1.9!) USER MOD Set 1.2: A 94 THR OG1 : rot -61:sc= 0.00293 USER MOD Set 2.1: A 70 LYS NZ :NH3+ -113:sc= -2.28! (180deg=-1.97!) USER MOD Set 2.2: A 102 ASN :FLIP amide:sc= -0.929 F(o=-4.2,f=-3.2) USER MOD Set 3.1: A 50 SER OG : rot -113:sc= 0.652 USER MOD Set 3.2: A 52 CYS SG : rot 180:sc= 0.585 USER MOD Set 4.1: A 48 HIS : no HD1:sc= 0.724 K(o=1.8,f=-6.7!) USER MOD Set 4.2: A 86 SER OG : rot 88:sc= 1.11 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -120:sc= -1.47 USER MOD Single : A 20 GLN :FLIP amide:sc= -3.86! C(o=-4.8!,f=-3.9!) USER MOD Single : A 25 MET CE :methyl 158:sc= 0 (180deg=-0.0393) USER MOD Single : A 27 THR OG1 : rot 11:sc= 0.0389 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 CYS SG : rot 17:sc= -0.831 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -0.836 K(o=-0.84,f=-2.3!) USER MOD Single : A 45 HIS : no HD1:sc= -3.42! C(o=-3.4!,f=-5.4!) USER MOD Single : A 47 THR OG1 : rot -36:sc= 0.113 USER MOD Single : A 49 MET CE :methyl -109:sc= -2.36 (180deg=-3.5!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 164:sc= -0.05 (180deg=-0.661) USER MOD Single : A 77 LYS NZ :NH3+ 167:sc= -0.88 (180deg=-1.13) USER MOD Single : A 78 ASN : amide:sc= -0.0114 X(o=-0.011,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 MET CE :methyl 158:sc= -3.52! (180deg=-6.2!) USER MOD Single : A 88 LYS NZ :NH3+ -137:sc= -1.49 (180deg=-2.52!) USER MOD Single : A 92 GLN : amide:sc= -0.89 K(o=-0.89,f=-2.2!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -0.313 K(o=-0.31,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 228 N LEU A 12 15.042 2.201 7.612 1.00 0.00 N ATOM 229 CA LEU A 12 13.777 2.521 6.960 1.00 0.00 C ATOM 230 C LEU A 12 13.441 4.000 7.122 1.00 0.00 C ATOM 231 O LEU A 12 13.756 4.627 8.133 1.00 0.00 O ATOM 232 CB LEU A 12 12.651 1.664 7.540 1.00 0.00 C ATOM 233 CG LEU A 12 12.790 0.154 7.349 1.00 0.00 C ATOM 234 CD1 LEU A 12 11.771 -0.589 8.200 1.00 0.00 C ATOM 235 CD2 LEU A 12 12.631 -0.215 5.882 1.00 0.00 C ATOM 0 HA LEU A 12 13.879 2.304 5.897 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.578 1.870 8.608 1.00 0.00 H new ATOM 0 HB3 LEU A 12 11.711 1.982 7.089 1.00 0.00 H new ATOM 0 HG LEU A 12 13.788 -0.142 7.672 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.886 -1.663 8.050 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.931 -0.350 9.251 1.00 0.00 H new ATOM 0 HD13 LEU A 12 10.765 -0.288 7.909 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.733 -1.294 5.765 1.00 0.00 H new ATOM 0 HD22 LEU A 12 11.646 0.096 5.533 1.00 0.00 H new ATOM 0 HD23 LEU A 12 13.400 0.288 5.295 1.00 0.00 H new ATOM 247 N PRO A 13 12.784 4.573 6.101 1.00 0.00 N ATOM 248 CA PRO A 13 12.388 5.984 6.108 1.00 0.00 C ATOM 249 C PRO A 13 11.277 6.270 7.113 1.00 0.00 C ATOM 250 O PRO A 13 10.887 5.397 7.887 1.00 0.00 O ATOM 251 CB PRO A 13 11.890 6.220 4.680 1.00 0.00 C ATOM 252 CG PRO A 13 11.457 4.876 4.203 1.00 0.00 C ATOM 253 CD PRO A 13 12.376 3.886 4.864 1.00 0.00 C ATOM 0 HA PRO A 13 13.211 6.636 6.401 1.00 0.00 H new ATOM 0 HB2 PRO A 13 11.065 6.932 4.661 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.678 6.629 4.048 1.00 0.00 H new ATOM 0 HG2 PRO A 13 10.418 4.683 4.471 1.00 0.00 H new ATOM 0 HG3 PRO A 13 11.525 4.807 3.117 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.868 2.945 5.076 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.233 3.650 4.234 1.00 0.00 H new ATOM 261 N ALA A 14 10.771 7.500 7.095 1.00 0.00 N ATOM 262 CA ALA A 14 9.703 7.899 8.003 1.00 0.00 C ATOM 263 C ALA A 14 8.337 7.751 7.343 1.00 0.00 C ATOM 264 O ALA A 14 8.234 7.312 6.196 1.00 0.00 O ATOM 265 CB ALA A 14 9.915 9.333 8.467 1.00 0.00 C ATOM 0 H ALA A 14 11.084 8.236 6.462 1.00 0.00 H new ATOM 0 HA ALA A 14 9.731 7.239 8.870 1.00 0.00 H new ATOM 0 HB1 ALA A 14 9.111 9.619 9.145 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.871 9.410 8.985 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.916 9.998 7.604 1.00 0.00 H new ATOM 271 N LEU A 15 7.290 8.119 8.072 1.00 0.00 N ATOM 272 CA LEU A 15 5.928 8.026 7.557 1.00 0.00 C ATOM 273 C LEU A 15 5.695 9.045 6.445 1.00 0.00 C ATOM 274 O LEU A 15 6.271 10.133 6.457 1.00 0.00 O ATOM 275 CB LEU A 15 4.919 8.246 8.685 1.00 0.00 C ATOM 276 CG LEU A 15 3.455 7.971 8.339 1.00 0.00 C ATOM 277 CD1 LEU A 15 3.234 6.486 8.096 1.00 0.00 C ATOM 278 CD2 LEU A 15 2.542 8.473 9.448 1.00 0.00 C ATOM 0 H LEU A 15 7.357 8.485 9.022 1.00 0.00 H new ATOM 0 HA LEU A 15 5.790 7.027 7.144 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.199 7.610 9.525 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.004 9.278 9.025 1.00 0.00 H new ATOM 0 HG LEU A 15 3.211 8.509 7.423 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.187 6.309 7.851 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.861 6.156 7.268 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.496 5.927 8.995 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.504 8.269 9.185 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.787 7.963 10.380 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.680 9.547 9.575 1.00 0.00 H new ATOM 290 N TYR A 16 4.848 8.685 5.488 1.00 0.00 N ATOM 291 CA TYR A 16 4.540 9.567 4.369 1.00 0.00 C ATOM 292 C TYR A 16 5.807 9.945 3.608 1.00 0.00 C ATOM 293 O TYR A 16 5.869 10.992 2.963 1.00 0.00 O ATOM 294 CB TYR A 16 3.834 10.829 4.867 1.00 0.00 C ATOM 295 CG TYR A 16 2.505 10.557 5.534 1.00 0.00 C ATOM 296 CD1 TYR A 16 1.564 9.727 4.938 1.00 0.00 C ATOM 297 CD2 TYR A 16 2.190 11.131 6.760 1.00 0.00 C ATOM 298 CE1 TYR A 16 0.347 9.476 5.544 1.00 0.00 C ATOM 299 CE2 TYR A 16 0.977 10.884 7.373 1.00 0.00 C ATOM 300 CZ TYR A 16 0.059 10.057 6.761 1.00 0.00 C ATOM 301 OH TYR A 16 -1.151 9.810 7.368 1.00 0.00 O ATOM 0 H TYR A 16 4.362 7.788 5.465 1.00 0.00 H new ATOM 0 HA TYR A 16 3.877 9.032 3.689 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.486 11.345 5.572 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.677 11.503 4.025 1.00 0.00 H new ATOM 0 HD1 TYR A 16 1.787 9.270 3.985 1.00 0.00 H new ATOM 0 HD2 TYR A 16 2.906 11.781 7.241 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -0.374 8.829 5.067 1.00 0.00 H new ATOM 0 HE2 TYR A 16 0.749 11.336 8.327 1.00 0.00 H new ATOM 0 HH TYR A 16 -1.195 10.294 8.219 1.00 0.00 H new ATOM 311 N THR A 17 6.817 9.084 3.689 1.00 0.00 N ATOM 312 CA THR A 17 8.083 9.326 3.009 1.00 0.00 C ATOM 313 C THR A 17 8.069 8.749 1.598 1.00 0.00 C ATOM 314 O THR A 17 7.489 7.691 1.356 1.00 0.00 O ATOM 315 CB THR A 17 9.264 8.718 3.789 1.00 0.00 C ATOM 316 OG1 THR A 17 9.306 9.257 5.114 1.00 0.00 O ATOM 317 CG2 THR A 17 10.582 8.996 3.080 1.00 0.00 C ATOM 0 H THR A 17 6.782 8.213 4.219 1.00 0.00 H new ATOM 0 HA THR A 17 8.211 10.407 2.954 1.00 0.00 H new ATOM 0 HB THR A 17 9.119 7.639 3.841 1.00 0.00 H new ATOM 0 HG1 THR A 17 10.162 9.713 5.255 1.00 0.00 H new ATOM 0 HG21 THR A 17 11.401 8.557 3.650 1.00 0.00 H new ATOM 0 HG22 THR A 17 10.558 8.558 2.082 1.00 0.00 H new ATOM 0 HG23 THR A 17 10.732 10.073 3.000 1.00 0.00 H new ATOM 325 N ILE A 18 8.712 9.450 0.671 1.00 0.00 N ATOM 326 CA ILE A 18 8.774 9.006 -0.717 1.00 0.00 C ATOM 327 C ILE A 18 10.182 8.550 -1.085 1.00 0.00 C ATOM 328 O ILE A 18 11.167 9.206 -0.746 1.00 0.00 O ATOM 329 CB ILE A 18 8.337 10.121 -1.685 1.00 0.00 C ATOM 330 CG1 ILE A 18 6.850 10.430 -1.504 1.00 0.00 C ATOM 331 CG2 ILE A 18 8.629 9.717 -3.122 1.00 0.00 C ATOM 332 CD1 ILE A 18 6.417 11.719 -2.167 1.00 0.00 C ATOM 0 H ILE A 18 9.198 10.328 0.855 1.00 0.00 H new ATOM 0 HA ILE A 18 8.086 8.166 -0.811 1.00 0.00 H new ATOM 0 HB ILE A 18 8.905 11.023 -1.458 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.264 9.606 -1.911 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.625 10.485 -0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 18 8.315 10.515 -3.795 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.698 9.542 -3.241 1.00 0.00 H new ATOM 0 HG23 ILE A 18 8.083 8.804 -3.361 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.351 11.875 -1.998 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.977 12.552 -1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.610 11.660 -3.238 1.00 0.00 H new ATOM 344 N PHE A 19 10.269 7.421 -1.781 1.00 0.00 N ATOM 345 CA PHE A 19 11.556 6.878 -2.197 1.00 0.00 C ATOM 346 C PHE A 19 11.396 5.966 -3.410 1.00 0.00 C ATOM 347 O PHE A 19 10.289 5.527 -3.727 1.00 0.00 O ATOM 348 CB PHE A 19 12.203 6.104 -1.047 1.00 0.00 C ATOM 349 CG PHE A 19 11.286 5.099 -0.410 1.00 0.00 C ATOM 350 CD1 PHE A 19 11.062 3.869 -1.009 1.00 0.00 C ATOM 351 CD2 PHE A 19 10.647 5.384 0.786 1.00 0.00 C ATOM 352 CE1 PHE A 19 10.219 2.942 -0.425 1.00 0.00 C ATOM 353 CE2 PHE A 19 9.804 4.461 1.374 1.00 0.00 C ATOM 354 CZ PHE A 19 9.588 3.238 0.767 1.00 0.00 C ATOM 0 H PHE A 19 9.464 6.865 -2.068 1.00 0.00 H new ATOM 0 HA PHE A 19 12.201 7.712 -2.474 1.00 0.00 H new ATOM 0 HB2 PHE A 19 13.090 5.590 -1.419 1.00 0.00 H new ATOM 0 HB3 PHE A 19 12.539 6.810 -0.288 1.00 0.00 H new ATOM 0 HD1 PHE A 19 11.551 3.632 -1.942 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.810 6.339 1.264 1.00 0.00 H new ATOM 0 HE1 PHE A 19 10.054 1.987 -0.901 1.00 0.00 H new ATOM 0 HE2 PHE A 19 9.314 4.695 2.308 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.927 2.516 1.224 1.00 0.00 H new ATOM 364 N GLN A 20 12.506 5.687 -4.086 1.00 0.00 N ATOM 365 CA GLN A 20 12.488 4.829 -5.264 1.00 0.00 C ATOM 366 C GLN A 20 12.822 3.388 -4.894 1.00 0.00 C ATOM 367 O GLN A 20 13.834 3.122 -4.246 1.00 0.00 O ATOM 368 CB GLN A 20 13.479 5.343 -6.310 1.00 0.00 C ATOM 369 CG GLN A 20 13.187 4.850 -7.718 1.00 0.00 C ATOM 370 CD GLN A 20 14.017 5.561 -8.768 1.00 0.00 C ATOM 371 OE1 GLN A 20 13.355 6.334 -9.622 1.00 0.00 O flip ATOM 372 NE2 GLN A 20 15.239 5.419 -8.813 1.00 0.00 N flip ATOM 0 H GLN A 20 13.429 6.043 -3.838 1.00 0.00 H new ATOM 0 HA GLN A 20 11.482 4.852 -5.684 1.00 0.00 H new ATOM 0 HB2 GLN A 20 13.467 6.433 -6.306 1.00 0.00 H new ATOM 0 HB3 GLN A 20 14.486 5.035 -6.027 1.00 0.00 H new ATOM 0 HG2 GLN A 20 13.381 3.779 -7.771 1.00 0.00 H new ATOM 0 HG3 GLN A 20 12.129 4.994 -7.937 1.00 0.00 H new ATOM 0 HE21 GLN A 20 15.708 4.815 -8.137 1.00 0.00 H new ATOM 0 HE22 GLN A 20 15.783 5.905 -9.526 1.00 0.00 H new ATOM 381 N GLY A 21 11.966 2.460 -5.310 1.00 0.00 N ATOM 382 CA GLY A 21 12.188 1.058 -5.012 1.00 0.00 C ATOM 383 C GLY A 21 11.923 0.162 -6.206 1.00 0.00 C ATOM 384 O GLY A 21 11.197 0.542 -7.124 1.00 0.00 O ATOM 0 H GLY A 21 11.122 2.655 -5.849 1.00 0.00 H new ATOM 0 HA2 GLY A 21 13.216 0.919 -4.679 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.542 0.759 -4.187 1.00 0.00 H new ATOM 388 N GLU A 22 12.515 -1.028 -6.194 1.00 0.00 N ATOM 389 CA GLU A 22 12.340 -1.978 -7.286 1.00 0.00 C ATOM 390 C GLU A 22 11.454 -3.144 -6.856 1.00 0.00 C ATOM 391 O GLU A 22 11.560 -3.638 -5.733 1.00 0.00 O ATOM 392 CB GLU A 22 13.697 -2.502 -7.759 1.00 0.00 C ATOM 393 CG GLU A 22 13.598 -3.547 -8.856 1.00 0.00 C ATOM 394 CD GLU A 22 14.904 -4.287 -9.077 1.00 0.00 C ATOM 395 OE1 GLU A 22 15.136 -5.299 -8.381 1.00 0.00 O ATOM 396 OE2 GLU A 22 15.692 -3.855 -9.944 1.00 0.00 O ATOM 0 H GLU A 22 13.119 -1.357 -5.441 1.00 0.00 H new ATOM 0 HA GLU A 22 11.852 -1.458 -8.111 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.294 -1.665 -8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 22 14.228 -2.930 -6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.817 -4.264 -8.601 1.00 0.00 H new ATOM 0 HG3 GLU A 22 13.296 -3.065 -9.786 1.00 0.00 H new ATOM 403 N VAL A 23 10.580 -3.579 -7.759 1.00 0.00 N ATOM 404 CA VAL A 23 9.675 -4.687 -7.475 1.00 0.00 C ATOM 405 C VAL A 23 10.440 -5.997 -7.329 1.00 0.00 C ATOM 406 O VAL A 23 11.242 -6.359 -8.189 1.00 0.00 O ATOM 407 CB VAL A 23 8.616 -4.844 -8.580 1.00 0.00 C ATOM 408 CG1 VAL A 23 7.925 -6.196 -8.471 1.00 0.00 C ATOM 409 CG2 VAL A 23 7.601 -3.712 -8.512 1.00 0.00 C ATOM 0 H VAL A 23 10.480 -3.181 -8.693 1.00 0.00 H new ATOM 0 HA VAL A 23 9.175 -4.455 -6.535 1.00 0.00 H new ATOM 0 HB VAL A 23 9.117 -4.795 -9.547 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.180 -6.288 -9.261 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.663 -6.991 -8.574 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.437 -6.278 -7.500 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.860 -3.840 -9.301 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.104 -3.727 -7.542 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.111 -2.758 -8.644 1.00 0.00 H new ATOM 419 N ALA A 24 10.187 -6.705 -6.233 1.00 0.00 N ATOM 420 CA ALA A 24 10.851 -7.978 -5.975 1.00 0.00 C ATOM 421 C ALA A 24 9.848 -9.127 -5.962 1.00 0.00 C ATOM 422 O ALA A 24 10.206 -10.278 -6.208 1.00 0.00 O ATOM 423 CB ALA A 24 11.608 -7.921 -4.657 1.00 0.00 C ATOM 0 H ALA A 24 9.527 -6.419 -5.509 1.00 0.00 H new ATOM 0 HA ALA A 24 11.562 -8.159 -6.782 1.00 0.00 H new ATOM 0 HB1 ALA A 24 12.098 -8.878 -4.477 1.00 0.00 H new ATOM 0 HB2 ALA A 24 12.358 -7.131 -4.702 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.911 -7.713 -3.846 1.00 0.00 H new ATOM 429 N MET A 25 8.591 -8.805 -5.674 1.00 0.00 N ATOM 430 CA MET A 25 7.537 -9.812 -5.629 1.00 0.00 C ATOM 431 C MET A 25 6.227 -9.254 -6.177 1.00 0.00 C ATOM 432 O MET A 25 5.871 -8.106 -5.910 1.00 0.00 O ATOM 433 CB MET A 25 7.332 -10.305 -4.195 1.00 0.00 C ATOM 434 CG MET A 25 6.437 -11.529 -4.094 1.00 0.00 C ATOM 435 SD MET A 25 6.817 -12.553 -2.661 1.00 0.00 S ATOM 436 CE MET A 25 5.170 -12.939 -2.073 1.00 0.00 C ATOM 0 H MET A 25 8.278 -7.856 -5.469 1.00 0.00 H new ATOM 0 HA MET A 25 7.845 -10.650 -6.254 1.00 0.00 H new ATOM 0 HB2 MET A 25 8.303 -10.538 -3.758 1.00 0.00 H new ATOM 0 HB3 MET A 25 6.900 -9.500 -3.601 1.00 0.00 H new ATOM 0 HG2 MET A 25 5.396 -11.209 -4.041 1.00 0.00 H new ATOM 0 HG3 MET A 25 6.542 -12.126 -5.000 1.00 0.00 H new ATOM 0 HE1 MET A 25 5.203 -13.843 -1.465 1.00 0.00 H new ATOM 0 HE2 MET A 25 4.795 -12.111 -1.472 1.00 0.00 H new ATOM 0 HE3 MET A 25 4.508 -13.098 -2.924 1.00 0.00 H new ATOM 446 N VAL A 26 5.516 -10.071 -6.946 1.00 0.00 N ATOM 447 CA VAL A 26 4.246 -9.658 -7.532 1.00 0.00 C ATOM 448 C VAL A 26 3.110 -10.567 -7.076 1.00 0.00 C ATOM 449 O VAL A 26 3.164 -11.784 -7.251 1.00 0.00 O ATOM 450 CB VAL A 26 4.309 -9.665 -9.071 1.00 0.00 C ATOM 451 CG1 VAL A 26 2.967 -9.261 -9.662 1.00 0.00 C ATOM 452 CG2 VAL A 26 5.417 -8.746 -9.563 1.00 0.00 C ATOM 0 H VAL A 26 5.798 -11.023 -7.178 1.00 0.00 H new ATOM 0 HA VAL A 26 4.054 -8.641 -7.189 1.00 0.00 H new ATOM 0 HB VAL A 26 4.535 -10.678 -9.404 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.031 -9.272 -10.750 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.200 -9.964 -9.336 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.708 -8.258 -9.324 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.447 -8.763 -10.652 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.225 -7.729 -9.221 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.374 -9.086 -9.168 1.00 0.00 H new ATOM 462 N THR A 27 2.078 -9.966 -6.491 1.00 0.00 N ATOM 463 CA THR A 27 0.928 -10.720 -6.009 1.00 0.00 C ATOM 464 C THR A 27 -0.364 -10.218 -6.644 1.00 0.00 C ATOM 465 O THR A 27 -0.426 -9.094 -7.142 1.00 0.00 O ATOM 466 CB THR A 27 0.801 -10.633 -4.476 1.00 0.00 C ATOM 467 OG1 THR A 27 0.685 -9.266 -4.071 1.00 0.00 O ATOM 468 CG2 THR A 27 2.005 -11.269 -3.798 1.00 0.00 C ATOM 0 H THR A 27 2.016 -8.959 -6.340 1.00 0.00 H new ATOM 0 HA THR A 27 1.090 -11.760 -6.294 1.00 0.00 H new ATOM 0 HB THR A 27 -0.095 -11.176 -4.175 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.534 -8.703 -4.859 1.00 0.00 H new ATOM 0 HG21 THR A 27 1.894 -11.196 -2.716 1.00 0.00 H new ATOM 0 HG22 THR A 27 2.073 -12.318 -4.086 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.912 -10.749 -4.105 1.00 0.00 H new ATOM 476 N ASP A 28 -1.393 -11.058 -6.622 1.00 0.00 N ATOM 477 CA ASP A 28 -2.686 -10.697 -7.195 1.00 0.00 C ATOM 478 C ASP A 28 -3.399 -9.669 -6.322 1.00 0.00 C ATOM 479 O ASP A 28 -4.511 -9.242 -6.632 1.00 0.00 O ATOM 480 CB ASP A 28 -3.560 -11.942 -7.357 1.00 0.00 C ATOM 481 CG ASP A 28 -4.938 -11.614 -7.898 1.00 0.00 C ATOM 482 OD1 ASP A 28 -5.074 -11.474 -9.132 1.00 0.00 O ATOM 483 OD2 ASP A 28 -5.880 -11.498 -7.087 1.00 0.00 O ATOM 0 H ASP A 28 -1.358 -11.992 -6.214 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.511 -10.255 -8.176 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.066 -12.644 -8.029 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.660 -12.440 -6.393 1.00 0.00 H new ATOM 488 N TYR A 29 -2.753 -9.279 -5.229 1.00 0.00 N ATOM 489 CA TYR A 29 -3.327 -8.305 -4.309 1.00 0.00 C ATOM 490 C TYR A 29 -2.351 -7.161 -4.048 1.00 0.00 C ATOM 491 O TYR A 29 -2.557 -6.347 -3.148 1.00 0.00 O ATOM 492 CB TYR A 29 -3.704 -8.979 -2.989 1.00 0.00 C ATOM 493 CG TYR A 29 -2.594 -9.819 -2.399 1.00 0.00 C ATOM 494 CD1 TYR A 29 -1.570 -9.237 -1.664 1.00 0.00 C ATOM 495 CD2 TYR A 29 -2.570 -11.198 -2.577 1.00 0.00 C ATOM 496 CE1 TYR A 29 -0.553 -10.001 -1.125 1.00 0.00 C ATOM 497 CE2 TYR A 29 -1.558 -11.969 -2.040 1.00 0.00 C ATOM 498 CZ TYR A 29 -0.552 -11.367 -1.315 1.00 0.00 C ATOM 499 OH TYR A 29 0.459 -12.132 -0.778 1.00 0.00 O ATOM 0 H TYR A 29 -1.831 -9.623 -4.959 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.226 -7.894 -4.769 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.991 -8.213 -2.269 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -4.579 -9.609 -3.149 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -1.568 -8.168 -1.511 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.356 -11.674 -3.145 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.237 -9.531 -0.558 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -1.555 -13.039 -2.187 1.00 0.00 H new ATOM 0 HH TYR A 29 0.311 -13.074 -1.003 1.00 0.00 H new ATOM 509 N GLY A 30 -1.288 -7.106 -4.844 1.00 0.00 N ATOM 510 CA GLY A 30 -0.296 -6.059 -4.685 1.00 0.00 C ATOM 511 C GLY A 30 1.092 -6.507 -5.101 1.00 0.00 C ATOM 512 O GLY A 30 1.247 -7.524 -5.776 1.00 0.00 O ATOM 0 H GLY A 30 -1.096 -7.768 -5.596 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.588 -5.193 -5.279 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.274 -5.739 -3.643 1.00 0.00 H new ATOM 516 N ALA A 31 2.104 -5.744 -4.698 1.00 0.00 N ATOM 517 CA ALA A 31 3.484 -6.068 -5.033 1.00 0.00 C ATOM 518 C ALA A 31 4.444 -5.560 -3.962 1.00 0.00 C ATOM 519 O ALA A 31 4.177 -4.554 -3.303 1.00 0.00 O ATOM 520 CB ALA A 31 3.849 -5.486 -6.391 1.00 0.00 C ATOM 0 H ALA A 31 1.993 -4.898 -4.139 1.00 0.00 H new ATOM 0 HA ALA A 31 3.575 -7.153 -5.079 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.883 -5.736 -6.628 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.191 -5.902 -7.154 1.00 0.00 H new ATOM 0 HB3 ALA A 31 3.735 -4.402 -6.365 1.00 0.00 H new ATOM 526 N PHE A 32 5.560 -6.259 -3.793 1.00 0.00 N ATOM 527 CA PHE A 32 6.557 -5.878 -2.800 1.00 0.00 C ATOM 528 C PHE A 32 7.632 -4.990 -3.421 1.00 0.00 C ATOM 529 O PHE A 32 8.138 -5.277 -4.506 1.00 0.00 O ATOM 530 CB PHE A 32 7.202 -7.125 -2.190 1.00 0.00 C ATOM 531 CG PHE A 32 6.249 -7.957 -1.380 1.00 0.00 C ATOM 532 CD1 PHE A 32 5.108 -8.488 -1.959 1.00 0.00 C ATOM 533 CD2 PHE A 32 6.493 -8.207 -0.039 1.00 0.00 C ATOM 534 CE1 PHE A 32 4.229 -9.254 -1.217 1.00 0.00 C ATOM 535 CE2 PHE A 32 5.619 -8.971 0.708 1.00 0.00 C ATOM 536 CZ PHE A 32 4.484 -9.495 0.119 1.00 0.00 C ATOM 0 H PHE A 32 5.797 -7.093 -4.331 1.00 0.00 H new ATOM 0 HA PHE A 32 6.054 -5.315 -2.014 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.617 -7.738 -2.990 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.035 -6.821 -1.556 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.903 -8.301 -3.003 1.00 0.00 H new ATOM 0 HD2 PHE A 32 7.378 -7.799 0.427 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.344 -9.664 -1.681 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.822 -9.159 1.752 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.798 -10.092 0.702 1.00 0.00 H new ATOM 546 N ILE A 33 7.973 -3.911 -2.726 1.00 0.00 N ATOM 547 CA ILE A 33 8.986 -2.980 -3.209 1.00 0.00 C ATOM 548 C ILE A 33 10.199 -2.960 -2.284 1.00 0.00 C ATOM 549 O ILE A 33 10.065 -2.811 -1.069 1.00 0.00 O ATOM 550 CB ILE A 33 8.426 -1.552 -3.333 1.00 0.00 C ATOM 551 CG1 ILE A 33 7.210 -1.536 -4.263 1.00 0.00 C ATOM 552 CG2 ILE A 33 9.500 -0.602 -3.842 1.00 0.00 C ATOM 553 CD1 ILE A 33 7.513 -2.026 -5.661 1.00 0.00 C ATOM 0 H ILE A 33 7.563 -3.659 -1.827 1.00 0.00 H new ATOM 0 HA ILE A 33 9.290 -3.329 -4.196 1.00 0.00 H new ATOM 0 HB ILE A 33 8.110 -1.216 -2.345 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.424 -2.156 -3.831 1.00 0.00 H new ATOM 0 HG13 ILE A 33 6.819 -0.520 -4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.087 0.403 -3.924 1.00 0.00 H new ATOM 0 HG22 ILE A 33 10.339 -0.594 -3.146 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.845 -0.934 -4.821 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.606 -1.987 -6.265 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.276 -1.391 -6.112 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.875 -3.053 -5.616 1.00 0.00 H new ATOM 565 N LYS A 34 11.383 -3.109 -2.868 1.00 0.00 N ATOM 566 CA LYS A 34 12.621 -3.105 -2.099 1.00 0.00 C ATOM 567 C LYS A 34 13.116 -1.679 -1.871 1.00 0.00 C ATOM 568 O LYS A 34 13.276 -0.909 -2.818 1.00 0.00 O ATOM 569 CB LYS A 34 13.697 -3.920 -2.820 1.00 0.00 C ATOM 570 CG LYS A 34 13.355 -5.394 -2.955 1.00 0.00 C ATOM 571 CD LYS A 34 14.592 -6.227 -3.246 1.00 0.00 C ATOM 572 CE LYS A 34 15.049 -6.061 -4.686 1.00 0.00 C ATOM 573 NZ LYS A 34 16.389 -6.669 -4.917 1.00 0.00 N ATOM 0 H LYS A 34 11.511 -3.234 -3.872 1.00 0.00 H new ATOM 0 HA LYS A 34 12.418 -3.560 -1.130 1.00 0.00 H new ATOM 0 HB2 LYS A 34 13.855 -3.500 -3.813 1.00 0.00 H new ATOM 0 HB3 LYS A 34 14.638 -3.822 -2.279 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.886 -5.746 -2.036 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.628 -5.528 -3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 34 15.397 -5.933 -2.572 1.00 0.00 H new ATOM 0 HD3 LYS A 34 14.379 -7.278 -3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.321 -6.522 -5.353 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.083 -5.001 -4.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 16.665 -6.535 -5.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 17.089 -6.212 -4.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.350 -7.686 -4.703 1.00 0.00 H new ATOM 587 N ILE A 35 13.357 -1.337 -0.610 1.00 0.00 N ATOM 588 CA ILE A 35 13.836 -0.005 -0.259 1.00 0.00 C ATOM 589 C ILE A 35 15.355 0.076 -0.359 1.00 0.00 C ATOM 590 O ILE A 35 16.082 -0.793 0.121 1.00 0.00 O ATOM 591 CB ILE A 35 13.404 0.392 1.165 1.00 0.00 C ATOM 592 CG1 ILE A 35 11.878 0.386 1.279 1.00 0.00 C ATOM 593 CG2 ILE A 35 13.962 1.759 1.526 1.00 0.00 C ATOM 594 CD1 ILE A 35 11.379 0.301 2.704 1.00 0.00 C ATOM 0 H ILE A 35 13.229 -1.963 0.185 1.00 0.00 H new ATOM 0 HA ILE A 35 13.390 0.689 -0.971 1.00 0.00 H new ATOM 0 HB ILE A 35 13.805 -0.339 1.867 1.00 0.00 H new ATOM 0 HG12 ILE A 35 11.484 1.292 0.818 1.00 0.00 H new ATOM 0 HG13 ILE A 35 11.483 -0.458 0.713 1.00 0.00 H new ATOM 0 HG21 ILE A 35 13.648 2.025 2.535 1.00 0.00 H new ATOM 0 HG22 ILE A 35 15.051 1.731 1.480 1.00 0.00 H new ATOM 0 HG23 ILE A 35 13.588 2.502 0.822 1.00 0.00 H new ATOM 0 HD11 ILE A 35 10.289 0.301 2.708 1.00 0.00 H new ATOM 0 HD12 ILE A 35 11.743 -0.618 3.163 1.00 0.00 H new ATOM 0 HD13 ILE A 35 11.744 1.158 3.269 1.00 0.00 H new ATOM 606 N PRO A 36 15.850 1.149 -0.996 1.00 0.00 N ATOM 607 CA PRO A 36 17.287 1.372 -1.172 1.00 0.00 C ATOM 608 C PRO A 36 17.987 1.708 0.141 1.00 0.00 C ATOM 609 O PRO A 36 17.675 2.710 0.783 1.00 0.00 O ATOM 610 CB PRO A 36 17.347 2.565 -2.130 1.00 0.00 C ATOM 611 CG PRO A 36 16.059 3.284 -1.919 1.00 0.00 C ATOM 612 CD PRO A 36 15.042 2.226 -1.594 1.00 0.00 C ATOM 0 HA PRO A 36 17.794 0.482 -1.545 1.00 0.00 H new ATOM 0 HB2 PRO A 36 18.200 3.207 -1.910 1.00 0.00 H new ATOM 0 HB3 PRO A 36 17.453 2.238 -3.164 1.00 0.00 H new ATOM 0 HG2 PRO A 36 16.144 4.006 -1.107 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.772 3.840 -2.811 1.00 0.00 H new ATOM 0 HD2 PRO A 36 14.287 2.594 -0.900 1.00 0.00 H new ATOM 0 HD3 PRO A 36 14.516 1.886 -2.486 1.00 0.00 H new ATOM 620 N GLY A 37 18.935 0.863 0.535 1.00 0.00 N ATOM 621 CA GLY A 37 19.663 1.087 1.770 1.00 0.00 C ATOM 622 C GLY A 37 18.935 0.538 2.981 1.00 0.00 C ATOM 623 O GLY A 37 18.972 1.135 4.058 1.00 0.00 O ATOM 0 H GLY A 37 19.212 0.027 0.020 1.00 0.00 H new ATOM 0 HA2 GLY A 37 20.646 0.621 1.698 1.00 0.00 H new ATOM 0 HA3 GLY A 37 19.827 2.156 1.903 1.00 0.00 H new ATOM 627 N CYS A 38 18.272 -0.599 2.805 1.00 0.00 N ATOM 628 CA CYS A 38 17.530 -1.227 3.892 1.00 0.00 C ATOM 629 C CYS A 38 17.551 -2.746 3.759 1.00 0.00 C ATOM 630 O CYS A 38 18.098 -3.287 2.798 1.00 0.00 O ATOM 631 CB CYS A 38 16.085 -0.725 3.908 1.00 0.00 C ATOM 632 SG CYS A 38 15.892 0.948 4.569 1.00 0.00 S ATOM 0 H CYS A 38 18.233 -1.105 1.920 1.00 0.00 H new ATOM 0 HA CYS A 38 18.012 -0.956 4.831 1.00 0.00 H new ATOM 0 HB2 CYS A 38 15.692 -0.750 2.892 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.480 -1.411 4.501 1.00 0.00 H new ATOM 0 HG CYS A 38 17.046 1.547 4.577 1.00 0.00 H new ATOM 638 N ARG A 39 16.954 -3.429 4.730 1.00 0.00 N ATOM 639 CA ARG A 39 16.908 -4.886 4.722 1.00 0.00 C ATOM 640 C ARG A 39 15.472 -5.383 4.583 1.00 0.00 C ATOM 641 O ARG A 39 15.220 -6.422 3.970 1.00 0.00 O ATOM 642 CB ARG A 39 17.530 -5.444 6.004 1.00 0.00 C ATOM 643 CG ARG A 39 19.041 -5.591 5.934 1.00 0.00 C ATOM 644 CD ARG A 39 19.538 -6.692 6.857 1.00 0.00 C ATOM 645 NE ARG A 39 19.281 -8.021 6.311 1.00 0.00 N ATOM 646 CZ ARG A 39 19.792 -9.137 6.820 1.00 0.00 C ATOM 647 NH1 ARG A 39 20.583 -9.082 7.883 1.00 0.00 N ATOM 648 NH2 ARG A 39 19.512 -10.309 6.267 1.00 0.00 N ATOM 0 H ARG A 39 16.496 -2.997 5.532 1.00 0.00 H new ATOM 0 HA ARG A 39 17.481 -5.238 3.865 1.00 0.00 H new ATOM 0 HB2 ARG A 39 17.275 -4.788 6.837 1.00 0.00 H new ATOM 0 HB3 ARG A 39 17.088 -6.417 6.218 1.00 0.00 H new ATOM 0 HG2 ARG A 39 19.339 -5.812 4.909 1.00 0.00 H new ATOM 0 HG3 ARG A 39 19.512 -4.647 6.206 1.00 0.00 H new ATOM 0 HD2 ARG A 39 20.608 -6.569 7.024 1.00 0.00 H new ATOM 0 HD3 ARG A 39 19.051 -6.599 7.828 1.00 0.00 H new ATOM 0 HE ARG A 39 18.676 -8.097 5.494 1.00 0.00 H new ATOM 0 HH11 ARG A 39 20.800 -8.182 8.311 1.00 0.00 H new ATOM 0 HH12 ARG A 39 20.974 -9.940 8.272 1.00 0.00 H new ATOM 0 HH21 ARG A 39 18.904 -10.355 5.450 1.00 0.00 H new ATOM 0 HH22 ARG A 39 19.905 -11.165 6.659 1.00 0.00 H new ATOM 662 N LYS A 40 14.534 -4.635 5.155 1.00 0.00 N ATOM 663 CA LYS A 40 13.123 -4.999 5.094 1.00 0.00 C ATOM 664 C LYS A 40 12.453 -4.376 3.873 1.00 0.00 C ATOM 665 O LYS A 40 12.911 -3.358 3.355 1.00 0.00 O ATOM 666 CB LYS A 40 12.405 -4.550 6.368 1.00 0.00 C ATOM 667 CG LYS A 40 12.562 -5.517 7.529 1.00 0.00 C ATOM 668 CD LYS A 40 11.492 -6.595 7.504 1.00 0.00 C ATOM 669 CE LYS A 40 11.357 -7.279 8.855 1.00 0.00 C ATOM 670 NZ LYS A 40 10.369 -8.392 8.818 1.00 0.00 N ATOM 0 H LYS A 40 14.725 -3.773 5.666 1.00 0.00 H new ATOM 0 HA LYS A 40 13.056 -6.084 5.009 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.787 -3.574 6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.344 -4.424 6.152 1.00 0.00 H new ATOM 0 HG2 LYS A 40 13.548 -5.980 7.487 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.507 -4.970 8.470 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.536 -6.154 7.222 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.738 -7.336 6.743 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.328 -7.666 9.165 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.052 -6.548 9.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.307 -8.832 9.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.436 -8.020 8.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.673 -9.103 8.122 1.00 0.00 H new ATOM 684 N GLN A 41 11.367 -4.994 3.421 1.00 0.00 N ATOM 685 CA GLN A 41 10.634 -4.499 2.262 1.00 0.00 C ATOM 686 C GLN A 41 9.174 -4.231 2.614 1.00 0.00 C ATOM 687 O GLN A 41 8.633 -4.822 3.548 1.00 0.00 O ATOM 688 CB GLN A 41 10.718 -5.504 1.112 1.00 0.00 C ATOM 689 CG GLN A 41 12.133 -5.972 0.815 1.00 0.00 C ATOM 690 CD GLN A 41 12.170 -7.331 0.143 1.00 0.00 C ATOM 691 OE1 GLN A 41 11.216 -8.104 0.230 1.00 0.00 O ATOM 692 NE2 GLN A 41 13.275 -7.629 -0.530 1.00 0.00 N ATOM 0 H GLN A 41 10.975 -5.838 3.839 1.00 0.00 H new ATOM 0 HA GLN A 41 11.091 -3.560 1.949 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.101 -6.370 1.351 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.298 -5.052 0.214 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.626 -5.241 0.175 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.700 -6.015 1.745 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.041 -6.957 -0.575 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.358 -8.530 -1.002 1.00 0.00 H new ATOM 701 N GLY A 42 8.543 -3.337 1.860 1.00 0.00 N ATOM 702 CA GLY A 42 7.152 -3.007 2.109 1.00 0.00 C ATOM 703 C GLY A 42 6.225 -3.563 1.046 1.00 0.00 C ATOM 704 O GLY A 42 6.661 -3.895 -0.057 1.00 0.00 O ATOM 0 H GLY A 42 8.970 -2.835 1.081 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.858 -3.397 3.083 1.00 0.00 H new ATOM 0 HA3 GLY A 42 7.041 -1.924 2.153 1.00 0.00 H new ATOM 708 N LEU A 43 4.943 -3.669 1.378 1.00 0.00 N ATOM 709 CA LEU A 43 3.951 -4.191 0.444 1.00 0.00 C ATOM 710 C LEU A 43 3.029 -3.081 -0.048 1.00 0.00 C ATOM 711 O LEU A 43 2.605 -2.223 0.726 1.00 0.00 O ATOM 712 CB LEU A 43 3.128 -5.296 1.109 1.00 0.00 C ATOM 713 CG LEU A 43 1.802 -5.645 0.433 1.00 0.00 C ATOM 714 CD1 LEU A 43 2.044 -6.475 -0.819 1.00 0.00 C ATOM 715 CD2 LEU A 43 0.889 -6.386 1.399 1.00 0.00 C ATOM 0 H LEU A 43 4.566 -3.400 2.287 1.00 0.00 H new ATOM 0 HA LEU A 43 4.479 -4.606 -0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.738 -6.198 1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.921 -4.999 2.137 1.00 0.00 H new ATOM 0 HG LEU A 43 1.310 -4.718 0.140 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.089 -6.714 -1.287 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.659 -5.908 -1.518 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.558 -7.398 -0.550 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.050 -6.626 0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.373 -7.307 1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.689 -5.756 2.266 1.00 0.00 H new ATOM 727 N VAL A 44 2.720 -3.105 -1.340 1.00 0.00 N ATOM 728 CA VAL A 44 1.844 -2.102 -1.936 1.00 0.00 C ATOM 729 C VAL A 44 0.528 -2.723 -2.390 1.00 0.00 C ATOM 730 O VAL A 44 0.503 -3.568 -3.286 1.00 0.00 O ATOM 731 CB VAL A 44 2.516 -1.413 -3.139 1.00 0.00 C ATOM 732 CG1 VAL A 44 1.595 -0.359 -3.734 1.00 0.00 C ATOM 733 CG2 VAL A 44 3.845 -0.800 -2.726 1.00 0.00 C ATOM 0 H VAL A 44 3.063 -3.808 -1.995 1.00 0.00 H new ATOM 0 HA VAL A 44 1.645 -1.357 -1.165 1.00 0.00 H new ATOM 0 HB VAL A 44 2.710 -2.164 -3.905 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.087 0.117 -4.582 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.671 -0.830 -4.068 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.367 0.393 -2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 44 4.306 -0.317 -3.588 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.677 -0.061 -1.943 1.00 0.00 H new ATOM 0 HG23 VAL A 44 4.506 -1.582 -2.351 1.00 0.00 H new ATOM 743 N HIS A 45 -0.567 -2.296 -1.768 1.00 0.00 N ATOM 744 CA HIS A 45 -1.889 -2.809 -2.109 1.00 0.00 C ATOM 745 C HIS A 45 -2.164 -2.653 -3.601 1.00 0.00 C ATOM 746 O HIS A 45 -1.766 -1.663 -4.215 1.00 0.00 O ATOM 747 CB HIS A 45 -2.965 -2.083 -1.301 1.00 0.00 C ATOM 748 CG HIS A 45 -4.184 -2.913 -1.044 1.00 0.00 C ATOM 749 ND1 HIS A 45 -5.425 -2.369 -0.788 1.00 0.00 N ATOM 750 CD2 HIS A 45 -4.349 -4.256 -1.008 1.00 0.00 C ATOM 751 CE1 HIS A 45 -6.300 -3.342 -0.603 1.00 0.00 C ATOM 752 NE2 HIS A 45 -5.673 -4.497 -0.731 1.00 0.00 N ATOM 0 H HIS A 45 -0.565 -1.596 -1.026 1.00 0.00 H new ATOM 0 HA HIS A 45 -1.915 -3.870 -1.862 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -2.541 -1.770 -0.347 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -3.258 -1.178 -1.833 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.582 -5.000 -1.167 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -7.350 -3.214 -0.384 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -6.102 -5.418 -0.639 1.00 0.00 H new ATOM 760 N ARG A 46 -2.846 -3.636 -4.179 1.00 0.00 N ATOM 761 CA ARG A 46 -3.174 -3.608 -5.599 1.00 0.00 C ATOM 762 C ARG A 46 -4.000 -2.372 -5.943 1.00 0.00 C ATOM 763 O ARG A 46 -3.913 -1.841 -7.051 1.00 0.00 O ATOM 764 CB ARG A 46 -3.940 -4.872 -5.993 1.00 0.00 C ATOM 765 CG ARG A 46 -5.280 -5.016 -5.292 1.00 0.00 C ATOM 766 CD ARG A 46 -6.397 -4.349 -6.080 1.00 0.00 C ATOM 767 NE ARG A 46 -7.717 -4.772 -5.623 1.00 0.00 N ATOM 768 CZ ARG A 46 -8.845 -4.165 -5.975 1.00 0.00 C ATOM 769 NH1 ARG A 46 -8.813 -3.115 -6.783 1.00 0.00 N ATOM 770 NH2 ARG A 46 -10.009 -4.610 -5.518 1.00 0.00 N ATOM 0 H ARG A 46 -3.182 -4.463 -3.685 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.240 -3.567 -6.160 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -4.102 -4.867 -7.071 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -3.326 -5.744 -5.767 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -5.509 -6.073 -5.158 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -5.221 -4.574 -4.298 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.311 -3.267 -5.986 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -6.286 -4.587 -7.138 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.777 -5.577 -5.000 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -7.920 -2.771 -7.137 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -9.681 -2.651 -7.051 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -10.038 -5.418 -4.896 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.875 -4.144 -5.788 1.00 0.00 H new ATOM 784 N THR A 47 -4.803 -1.918 -4.986 1.00 0.00 N ATOM 785 CA THR A 47 -5.645 -0.746 -5.187 1.00 0.00 C ATOM 786 C THR A 47 -4.836 0.541 -5.067 1.00 0.00 C ATOM 787 O THR A 47 -5.298 1.615 -5.453 1.00 0.00 O ATOM 788 CB THR A 47 -6.804 -0.707 -4.174 1.00 0.00 C ATOM 789 OG1 THR A 47 -7.790 0.244 -4.593 1.00 0.00 O ATOM 790 CG2 THR A 47 -6.297 -0.341 -2.786 1.00 0.00 C ATOM 0 H THR A 47 -4.888 -2.345 -4.063 1.00 0.00 H new ATOM 0 HA THR A 47 -6.055 -0.821 -6.194 1.00 0.00 H new ATOM 0 HB THR A 47 -7.253 -1.699 -4.130 1.00 0.00 H new ATOM 0 HG1 THR A 47 -7.347 1.012 -5.011 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.133 -0.320 -2.087 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.569 -1.082 -2.458 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.826 0.641 -2.818 1.00 0.00 H new ATOM 798 N HIS A 48 -3.626 0.425 -4.530 1.00 0.00 N ATOM 799 CA HIS A 48 -2.751 1.580 -4.361 1.00 0.00 C ATOM 800 C HIS A 48 -1.759 1.683 -5.515 1.00 0.00 C ATOM 801 O HIS A 48 -1.180 2.743 -5.754 1.00 0.00 O ATOM 802 CB HIS A 48 -1.999 1.485 -3.033 1.00 0.00 C ATOM 803 CG HIS A 48 -2.743 2.084 -1.879 1.00 0.00 C ATOM 804 ND1 HIS A 48 -2.862 3.445 -1.684 1.00 0.00 N ATOM 805 CD2 HIS A 48 -3.411 1.500 -0.857 1.00 0.00 C ATOM 806 CE1 HIS A 48 -3.569 3.670 -0.592 1.00 0.00 C ATOM 807 NE2 HIS A 48 -3.915 2.507 -0.071 1.00 0.00 N ATOM 0 H HIS A 48 -3.229 -0.456 -4.204 1.00 0.00 H new ATOM 0 HA HIS A 48 -3.370 2.477 -4.356 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.792 0.437 -2.816 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -1.036 1.986 -3.133 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -3.526 0.439 -0.691 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.822 4.641 -0.192 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.467 2.378 0.777 1.00 0.00 H new ATOM 815 N MET A 49 -1.568 0.578 -6.226 1.00 0.00 N ATOM 816 CA MET A 49 -0.646 0.545 -7.356 1.00 0.00 C ATOM 817 C MET A 49 -1.176 1.385 -8.514 1.00 0.00 C ATOM 818 O MET A 49 -0.407 2.039 -9.220 1.00 0.00 O ATOM 819 CB MET A 49 -0.420 -0.896 -7.816 1.00 0.00 C ATOM 820 CG MET A 49 0.471 -1.700 -6.883 1.00 0.00 C ATOM 821 SD MET A 49 1.417 -2.968 -7.749 1.00 0.00 S ATOM 822 CE MET A 49 0.164 -4.225 -7.983 1.00 0.00 C ATOM 0 H MET A 49 -2.039 -0.307 -6.040 1.00 0.00 H new ATOM 0 HA MET A 49 0.305 0.967 -7.030 1.00 0.00 H new ATOM 0 HB2 MET A 49 -1.385 -1.396 -7.904 1.00 0.00 H new ATOM 0 HB3 MET A 49 0.026 -0.885 -8.811 1.00 0.00 H new ATOM 0 HG2 MET A 49 1.158 -1.025 -6.372 1.00 0.00 H new ATOM 0 HG3 MET A 49 -0.144 -2.171 -6.116 1.00 0.00 H new ATOM 0 HE1 MET A 49 0.376 -5.075 -7.334 1.00 0.00 H new ATOM 0 HE2 MET A 49 -0.815 -3.814 -7.735 1.00 0.00 H new ATOM 0 HE3 MET A 49 0.167 -4.552 -9.023 1.00 0.00 H new ATOM 832 N SER A 50 -2.491 1.362 -8.704 1.00 0.00 N ATOM 833 CA SER A 50 -3.121 2.117 -9.779 1.00 0.00 C ATOM 834 C SER A 50 -4.483 2.649 -9.343 1.00 0.00 C ATOM 835 O SER A 50 -5.239 1.962 -8.657 1.00 0.00 O ATOM 836 CB SER A 50 -3.278 1.241 -11.024 1.00 0.00 C ATOM 837 OG SER A 50 -3.346 2.030 -12.198 1.00 0.00 O ATOM 0 H SER A 50 -3.141 0.828 -8.127 1.00 0.00 H new ATOM 0 HA SER A 50 -2.478 2.964 -10.019 1.00 0.00 H new ATOM 0 HB2 SER A 50 -2.438 0.550 -11.095 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.181 0.637 -10.936 1.00 0.00 H new ATOM 0 HG SER A 50 -4.240 1.953 -12.593 1.00 0.00 H new ATOM 843 N SER A 51 -4.788 3.878 -9.747 1.00 0.00 N ATOM 844 CA SER A 51 -6.057 4.505 -9.396 1.00 0.00 C ATOM 845 C SER A 51 -7.177 4.013 -10.306 1.00 0.00 C ATOM 846 O SER A 51 -8.229 3.577 -9.835 1.00 0.00 O ATOM 847 CB SER A 51 -5.940 6.028 -9.489 1.00 0.00 C ATOM 848 OG SER A 51 -5.416 6.574 -8.291 1.00 0.00 O ATOM 0 H SER A 51 -4.174 4.459 -10.318 1.00 0.00 H new ATOM 0 HA SER A 51 -6.299 4.228 -8.370 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.296 6.296 -10.326 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.920 6.459 -9.690 1.00 0.00 H new ATOM 0 HG SER A 51 -5.350 7.548 -8.377 1.00 0.00 H new ATOM 854 N CYS A 52 -6.944 4.086 -11.612 1.00 0.00 N ATOM 855 CA CYS A 52 -7.934 3.648 -12.591 1.00 0.00 C ATOM 856 C CYS A 52 -8.482 2.271 -12.231 1.00 0.00 C ATOM 857 O CYS A 52 -8.047 1.653 -11.261 1.00 0.00 O ATOM 858 CB CYS A 52 -7.317 3.614 -13.990 1.00 0.00 C ATOM 859 SG CYS A 52 -5.954 2.439 -14.169 1.00 0.00 S ATOM 0 H CYS A 52 -6.079 4.444 -12.018 1.00 0.00 H new ATOM 0 HA CYS A 52 -8.758 4.361 -12.582 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -8.094 3.365 -14.712 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -6.957 4.612 -14.241 1.00 0.00 H new ATOM 0 HG CYS A 52 -5.501 2.483 -15.387 1.00 0.00 H new ATOM 865 N ARG A 53 -9.443 1.799 -13.018 1.00 0.00 N ATOM 866 CA ARG A 53 -10.054 0.497 -12.782 1.00 0.00 C ATOM 867 C ARG A 53 -9.010 -0.614 -12.845 1.00 0.00 C ATOM 868 O ARG A 53 -8.645 -1.076 -13.926 1.00 0.00 O ATOM 869 CB ARG A 53 -11.158 0.233 -13.807 1.00 0.00 C ATOM 870 CG ARG A 53 -11.929 -1.053 -13.556 1.00 0.00 C ATOM 871 CD ARG A 53 -13.082 -1.212 -14.534 1.00 0.00 C ATOM 872 NE ARG A 53 -13.377 -2.615 -14.809 1.00 0.00 N ATOM 873 CZ ARG A 53 -13.970 -3.426 -13.937 1.00 0.00 C ATOM 874 NH1 ARG A 53 -14.328 -2.972 -12.744 1.00 0.00 N ATOM 875 NH2 ARG A 53 -14.206 -4.690 -14.260 1.00 0.00 N ATOM 0 H ARG A 53 -9.815 2.299 -13.825 1.00 0.00 H new ATOM 0 HA ARG A 53 -10.490 0.505 -11.783 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -11.855 1.071 -13.802 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.716 0.193 -14.802 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -11.255 -1.905 -13.645 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.313 -1.055 -12.536 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.970 -0.728 -14.129 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -12.839 -0.703 -15.467 1.00 0.00 H new ATOM 0 HE ARG A 53 -13.114 -2.994 -15.719 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -14.149 -2.000 -12.494 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.783 -3.595 -12.077 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.933 -5.041 -15.178 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -14.661 -5.311 -13.591 1.00 0.00 H new ATOM 889 N VAL A 54 -8.532 -1.037 -11.679 1.00 0.00 N ATOM 890 CA VAL A 54 -7.529 -2.093 -11.602 1.00 0.00 C ATOM 891 C VAL A 54 -8.165 -3.467 -11.780 1.00 0.00 C ATOM 892 O VAL A 54 -9.107 -3.825 -11.072 1.00 0.00 O ATOM 893 CB VAL A 54 -6.779 -2.057 -10.257 1.00 0.00 C ATOM 894 CG1 VAL A 54 -5.467 -2.819 -10.357 1.00 0.00 C ATOM 895 CG2 VAL A 54 -6.539 -0.620 -9.819 1.00 0.00 C ATOM 0 H VAL A 54 -8.823 -0.665 -10.775 1.00 0.00 H new ATOM 0 HA VAL A 54 -6.819 -1.916 -12.410 1.00 0.00 H new ATOM 0 HB VAL A 54 -7.397 -2.544 -9.503 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.951 -2.783 -9.398 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -5.668 -3.857 -10.622 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.840 -2.364 -11.124 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -6.008 -0.614 -8.867 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -5.941 -0.105 -10.571 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.495 -0.110 -9.704 1.00 0.00 H new ATOM 905 N ASP A 55 -7.644 -4.235 -12.731 1.00 0.00 N ATOM 906 CA ASP A 55 -8.159 -5.572 -13.002 1.00 0.00 C ATOM 907 C ASP A 55 -7.178 -6.638 -12.526 1.00 0.00 C ATOM 908 O ASP A 55 -7.565 -7.600 -11.860 1.00 0.00 O ATOM 909 CB ASP A 55 -8.431 -5.743 -14.498 1.00 0.00 C ATOM 910 CG ASP A 55 -9.731 -5.092 -14.928 1.00 0.00 C ATOM 911 OD1 ASP A 55 -10.801 -5.542 -14.468 1.00 0.00 O ATOM 912 OD2 ASP A 55 -9.677 -4.130 -15.723 1.00 0.00 O ATOM 0 H ASP A 55 -6.865 -3.954 -13.327 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.094 -5.693 -12.454 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -7.607 -5.312 -15.066 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.463 -6.805 -14.739 1.00 0.00 H new ATOM 917 N LYS A 56 -5.908 -6.464 -12.872 1.00 0.00 N ATOM 918 CA LYS A 56 -4.870 -7.412 -12.480 1.00 0.00 C ATOM 919 C LYS A 56 -3.572 -6.687 -12.141 1.00 0.00 C ATOM 920 O LYS A 56 -2.926 -6.084 -12.999 1.00 0.00 O ATOM 921 CB LYS A 56 -4.624 -8.422 -13.603 1.00 0.00 C ATOM 922 CG LYS A 56 -5.845 -9.256 -13.949 1.00 0.00 C ATOM 923 CD LYS A 56 -5.595 -10.135 -15.163 1.00 0.00 C ATOM 924 CE LYS A 56 -5.949 -9.414 -16.455 1.00 0.00 C ATOM 925 NZ LYS A 56 -5.976 -10.342 -17.619 1.00 0.00 N ATOM 0 H LYS A 56 -5.571 -5.675 -13.424 1.00 0.00 H new ATOM 0 HA LYS A 56 -5.213 -7.942 -11.591 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.294 -7.888 -14.494 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -3.811 -9.087 -13.311 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.114 -9.880 -13.096 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.693 -8.599 -14.143 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.547 -10.434 -15.187 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.185 -11.048 -15.081 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -6.923 -8.936 -16.349 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.224 -8.622 -16.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -6.221 -9.812 -18.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.040 -10.779 -17.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.686 -11.084 -17.455 1.00 0.00 H new ATOM 939 N PRO A 57 -3.178 -6.745 -10.860 1.00 0.00 N ATOM 940 CA PRO A 57 -1.952 -6.101 -10.379 1.00 0.00 C ATOM 941 C PRO A 57 -0.693 -6.787 -10.900 1.00 0.00 C ATOM 942 O PRO A 57 0.398 -6.219 -10.859 1.00 0.00 O ATOM 943 CB PRO A 57 -2.049 -6.245 -8.858 1.00 0.00 C ATOM 944 CG PRO A 57 -2.915 -7.439 -8.646 1.00 0.00 C ATOM 945 CD PRO A 57 -3.898 -7.445 -9.783 1.00 0.00 C ATOM 0 HA PRO A 57 -1.874 -5.068 -10.719 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.065 -6.385 -8.410 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -2.483 -5.355 -8.403 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -2.323 -8.354 -8.637 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.429 -7.383 -7.686 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.169 -8.460 -10.074 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -4.822 -6.932 -9.518 1.00 0.00 H new ATOM 953 N SER A 58 -0.853 -8.013 -11.389 1.00 0.00 N ATOM 954 CA SER A 58 0.271 -8.778 -11.915 1.00 0.00 C ATOM 955 C SER A 58 0.659 -8.287 -13.306 1.00 0.00 C ATOM 956 O SER A 58 1.710 -8.652 -13.834 1.00 0.00 O ATOM 957 CB SER A 58 -0.077 -10.268 -11.966 1.00 0.00 C ATOM 958 OG SER A 58 1.089 -11.067 -11.878 1.00 0.00 O ATOM 0 H SER A 58 -1.750 -8.497 -11.432 1.00 0.00 H new ATOM 0 HA SER A 58 1.121 -8.633 -11.248 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.753 -10.515 -11.148 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.605 -10.490 -12.894 1.00 0.00 H new ATOM 0 HG SER A 58 0.840 -12.014 -11.911 1.00 0.00 H new ATOM 964 N GLU A 59 -0.197 -7.457 -13.895 1.00 0.00 N ATOM 965 CA GLU A 59 0.056 -6.916 -15.225 1.00 0.00 C ATOM 966 C GLU A 59 0.436 -5.440 -15.149 1.00 0.00 C ATOM 967 O GLU A 59 0.683 -4.799 -16.171 1.00 0.00 O ATOM 968 CB GLU A 59 -1.178 -7.091 -16.113 1.00 0.00 C ATOM 969 CG GLU A 59 -2.155 -5.931 -16.034 1.00 0.00 C ATOM 970 CD GLU A 59 -1.828 -4.825 -17.019 1.00 0.00 C ATOM 971 OE1 GLU A 59 -1.813 -5.100 -18.236 1.00 0.00 O ATOM 972 OE2 GLU A 59 -1.588 -3.684 -16.571 1.00 0.00 O ATOM 0 H GLU A 59 -1.071 -7.145 -13.472 1.00 0.00 H new ATOM 0 HA GLU A 59 0.890 -7.466 -15.661 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -0.856 -7.214 -17.147 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.693 -8.009 -15.828 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.164 -6.297 -16.226 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.150 -5.525 -15.023 1.00 0.00 H new ATOM 979 N ILE A 60 0.481 -4.908 -13.932 1.00 0.00 N ATOM 980 CA ILE A 60 0.831 -3.510 -13.722 1.00 0.00 C ATOM 981 C ILE A 60 2.291 -3.365 -13.307 1.00 0.00 C ATOM 982 O ILE A 60 2.944 -2.372 -13.629 1.00 0.00 O ATOM 983 CB ILE A 60 -0.064 -2.859 -12.650 1.00 0.00 C ATOM 984 CG1 ILE A 60 -1.533 -3.198 -12.907 1.00 0.00 C ATOM 985 CG2 ILE A 60 0.143 -1.352 -12.631 1.00 0.00 C ATOM 986 CD1 ILE A 60 -2.473 -2.641 -11.861 1.00 0.00 C ATOM 0 H ILE A 60 0.279 -5.425 -13.076 1.00 0.00 H new ATOM 0 HA ILE A 60 0.674 -3.000 -14.672 1.00 0.00 H new ATOM 0 HB ILE A 60 0.215 -3.256 -11.674 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.821 -2.812 -13.885 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.646 -4.281 -12.946 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.496 -0.907 -11.869 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.186 -1.131 -12.405 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.112 -0.937 -13.606 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.498 -2.920 -12.107 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.211 -3.046 -10.884 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.389 -1.555 -11.838 1.00 0.00 H new ATOM 998 N VAL A 61 2.798 -4.363 -12.589 1.00 0.00 N ATOM 999 CA VAL A 61 4.182 -4.348 -12.132 1.00 0.00 C ATOM 1000 C VAL A 61 4.851 -5.698 -12.365 1.00 0.00 C ATOM 1001 O VAL A 61 4.189 -6.735 -12.394 1.00 0.00 O ATOM 1002 CB VAL A 61 4.276 -3.993 -10.636 1.00 0.00 C ATOM 1003 CG1 VAL A 61 3.412 -2.781 -10.320 1.00 0.00 C ATOM 1004 CG2 VAL A 61 3.871 -5.184 -9.779 1.00 0.00 C ATOM 0 H VAL A 61 2.271 -5.191 -12.312 1.00 0.00 H new ATOM 0 HA VAL A 61 4.699 -3.583 -12.712 1.00 0.00 H new ATOM 0 HB VAL A 61 5.311 -3.743 -10.404 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.491 -2.545 -9.259 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.752 -1.928 -10.908 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.373 -3.000 -10.567 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.943 -4.915 -8.725 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.844 -5.467 -10.012 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.535 -6.024 -9.986 1.00 0.00 H new ATOM 1014 N ASP A 62 6.170 -5.678 -12.529 1.00 0.00 N ATOM 1015 CA ASP A 62 6.932 -6.901 -12.757 1.00 0.00 C ATOM 1016 C ASP A 62 8.311 -6.810 -12.113 1.00 0.00 C ATOM 1017 O ASP A 62 8.934 -5.749 -12.102 1.00 0.00 O ATOM 1018 CB ASP A 62 7.071 -7.166 -14.257 1.00 0.00 C ATOM 1019 CG ASP A 62 7.092 -5.888 -15.072 1.00 0.00 C ATOM 1020 OD1 ASP A 62 6.006 -5.423 -15.474 1.00 0.00 O ATOM 1021 OD2 ASP A 62 8.197 -5.353 -15.308 1.00 0.00 O ATOM 0 H ASP A 62 6.734 -4.828 -12.508 1.00 0.00 H new ATOM 0 HA ASP A 62 6.392 -7.729 -12.298 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.988 -7.725 -14.441 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.244 -7.792 -14.590 1.00 0.00 H new ATOM 1026 N VAL A 63 8.783 -7.932 -11.577 1.00 0.00 N ATOM 1027 CA VAL A 63 10.089 -7.980 -10.931 1.00 0.00 C ATOM 1028 C VAL A 63 11.167 -7.378 -11.826 1.00 0.00 C ATOM 1029 O VAL A 63 11.459 -7.901 -12.900 1.00 0.00 O ATOM 1030 CB VAL A 63 10.484 -9.424 -10.570 1.00 0.00 C ATOM 1031 CG1 VAL A 63 11.864 -9.456 -9.931 1.00 0.00 C ATOM 1032 CG2 VAL A 63 9.446 -10.045 -9.647 1.00 0.00 C ATOM 0 H VAL A 63 8.280 -8.819 -11.578 1.00 0.00 H new ATOM 0 HA VAL A 63 10.011 -7.393 -10.016 1.00 0.00 H new ATOM 0 HB VAL A 63 10.520 -10.012 -11.487 1.00 0.00 H new ATOM 0 HG11 VAL A 63 12.126 -10.484 -9.683 1.00 0.00 H new ATOM 0 HG12 VAL A 63 12.598 -9.053 -10.629 1.00 0.00 H new ATOM 0 HG13 VAL A 63 11.858 -8.854 -9.023 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.741 -11.065 -9.402 1.00 0.00 H new ATOM 0 HG22 VAL A 63 9.376 -9.458 -8.731 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.477 -10.057 -10.146 1.00 0.00 H new ATOM 1042 N GLY A 64 11.756 -6.275 -11.375 1.00 0.00 N ATOM 1043 CA GLY A 64 12.796 -5.620 -12.145 1.00 0.00 C ATOM 1044 C GLY A 64 12.459 -4.177 -12.467 1.00 0.00 C ATOM 1045 O GLY A 64 13.346 -3.373 -12.750 1.00 0.00 O ATOM 0 H GLY A 64 11.531 -5.823 -10.489 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.733 -5.655 -11.588 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.956 -6.168 -13.073 1.00 0.00 H new ATOM 1049 N ASP A 65 11.172 -3.850 -12.426 1.00 0.00 N ATOM 1050 CA ASP A 65 10.719 -2.494 -12.715 1.00 0.00 C ATOM 1051 C ASP A 65 10.782 -1.621 -11.466 1.00 0.00 C ATOM 1052 O ASP A 65 10.252 -1.983 -10.415 1.00 0.00 O ATOM 1053 CB ASP A 65 9.292 -2.517 -13.266 1.00 0.00 C ATOM 1054 CG ASP A 65 9.241 -2.924 -14.726 1.00 0.00 C ATOM 1055 OD1 ASP A 65 10.206 -3.563 -15.198 1.00 0.00 O ATOM 1056 OD2 ASP A 65 8.237 -2.604 -15.395 1.00 0.00 O ATOM 0 H ASP A 65 10.424 -4.505 -12.196 1.00 0.00 H new ATOM 0 HA ASP A 65 11.384 -2.068 -13.467 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.690 -3.209 -12.678 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.846 -1.529 -13.151 1.00 0.00 H new ATOM 1061 N LYS A 66 11.433 -0.470 -11.586 1.00 0.00 N ATOM 1062 CA LYS A 66 11.565 0.456 -10.467 1.00 0.00 C ATOM 1063 C LYS A 66 10.481 1.528 -10.517 1.00 0.00 C ATOM 1064 O LYS A 66 10.221 2.115 -11.568 1.00 0.00 O ATOM 1065 CB LYS A 66 12.947 1.113 -10.483 1.00 0.00 C ATOM 1066 CG LYS A 66 12.958 2.519 -9.909 1.00 0.00 C ATOM 1067 CD LYS A 66 12.753 3.565 -10.991 1.00 0.00 C ATOM 1068 CE LYS A 66 14.078 4.024 -11.581 1.00 0.00 C ATOM 1069 NZ LYS A 66 13.892 4.728 -12.881 1.00 0.00 N ATOM 0 H LYS A 66 11.878 -0.155 -12.448 1.00 0.00 H new ATOM 0 HA LYS A 66 11.449 -0.111 -9.543 1.00 0.00 H new ATOM 0 HB2 LYS A 66 13.642 0.493 -9.916 1.00 0.00 H new ATOM 0 HB3 LYS A 66 13.313 1.146 -11.509 1.00 0.00 H new ATOM 0 HG2 LYS A 66 12.173 2.612 -9.158 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.907 2.699 -9.403 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.125 3.154 -11.781 1.00 0.00 H new ATOM 0 HD3 LYS A 66 12.223 4.422 -10.575 1.00 0.00 H new ATOM 0 HE2 LYS A 66 14.579 4.688 -10.877 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.730 3.162 -11.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 14.818 5.025 -13.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.437 4.086 -13.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 13.291 5.565 -12.740 1.00 0.00 H new ATOM 1083 N VAL A 67 9.851 1.780 -9.374 1.00 0.00 N ATOM 1084 CA VAL A 67 8.796 2.782 -9.287 1.00 0.00 C ATOM 1085 C VAL A 67 8.883 3.558 -7.977 1.00 0.00 C ATOM 1086 O VAL A 67 9.559 3.137 -7.038 1.00 0.00 O ATOM 1087 CB VAL A 67 7.400 2.141 -9.400 1.00 0.00 C ATOM 1088 CG1 VAL A 67 7.242 1.439 -10.740 1.00 0.00 C ATOM 1089 CG2 VAL A 67 7.164 1.174 -8.250 1.00 0.00 C ATOM 0 H VAL A 67 10.053 1.304 -8.495 1.00 0.00 H new ATOM 0 HA VAL A 67 8.940 3.467 -10.123 1.00 0.00 H new ATOM 0 HB VAL A 67 6.650 2.930 -9.340 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.250 0.992 -10.802 1.00 0.00 H new ATOM 0 HG12 VAL A 67 7.365 2.162 -11.546 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.998 0.659 -10.833 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.173 0.730 -8.345 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.918 0.387 -8.276 1.00 0.00 H new ATOM 0 HG23 VAL A 67 7.232 1.711 -7.304 1.00 0.00 H new ATOM 1099 N TRP A 68 8.192 4.691 -7.920 1.00 0.00 N ATOM 1100 CA TRP A 68 8.190 5.526 -6.725 1.00 0.00 C ATOM 1101 C TRP A 68 7.030 5.160 -5.807 1.00 0.00 C ATOM 1102 O TRP A 68 5.883 5.071 -6.245 1.00 0.00 O ATOM 1103 CB TRP A 68 8.106 7.004 -7.109 1.00 0.00 C ATOM 1104 CG TRP A 68 9.320 7.500 -7.834 1.00 0.00 C ATOM 1105 CD1 TRP A 68 9.492 7.582 -9.186 1.00 0.00 C ATOM 1106 CD2 TRP A 68 10.533 7.980 -7.244 1.00 0.00 C ATOM 1107 NE1 TRP A 68 10.739 8.083 -9.472 1.00 0.00 N ATOM 1108 CE2 TRP A 68 11.397 8.338 -8.298 1.00 0.00 C ATOM 1109 CE3 TRP A 68 10.973 8.146 -5.928 1.00 0.00 C ATOM 1110 CZ2 TRP A 68 12.673 8.849 -8.075 1.00 0.00 C ATOM 1111 CZ3 TRP A 68 12.240 8.653 -5.708 1.00 0.00 C ATOM 1112 CH2 TRP A 68 13.077 9.000 -6.776 1.00 0.00 C ATOM 0 H TRP A 68 7.626 5.052 -8.688 1.00 0.00 H new ATOM 0 HA TRP A 68 9.123 5.350 -6.189 1.00 0.00 H new ATOM 0 HB2 TRP A 68 7.228 7.160 -7.736 1.00 0.00 H new ATOM 0 HB3 TRP A 68 7.962 7.599 -6.207 1.00 0.00 H new ATOM 0 HD1 TRP A 68 8.756 7.295 -9.922 1.00 0.00 H new ATOM 0 HE1 TRP A 68 11.114 8.240 -10.407 1.00 0.00 H new ATOM 0 HE3 TRP A 68 10.334 7.883 -5.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 68 13.320 9.116 -8.897 1.00 0.00 H new ATOM 0 HZ3 TRP A 68 12.591 8.784 -4.695 1.00 0.00 H new ATOM 0 HH2 TRP A 68 14.061 9.395 -6.570 1.00 0.00 H new ATOM 1123 N VAL A 69 7.334 4.947 -4.530 1.00 0.00 N ATOM 1124 CA VAL A 69 6.315 4.591 -3.551 1.00 0.00 C ATOM 1125 C VAL A 69 6.372 5.514 -2.339 1.00 0.00 C ATOM 1126 O VAL A 69 7.410 6.106 -2.043 1.00 0.00 O ATOM 1127 CB VAL A 69 6.475 3.133 -3.079 1.00 0.00 C ATOM 1128 CG1 VAL A 69 6.354 2.176 -4.254 1.00 0.00 C ATOM 1129 CG2 VAL A 69 7.803 2.947 -2.363 1.00 0.00 C ATOM 0 H VAL A 69 8.278 5.015 -4.150 1.00 0.00 H new ATOM 0 HA VAL A 69 5.349 4.702 -4.044 1.00 0.00 H new ATOM 0 HB VAL A 69 5.675 2.908 -2.374 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.470 1.151 -3.902 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.375 2.292 -4.718 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.131 2.398 -4.986 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.899 1.911 -2.037 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.620 3.190 -3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.844 3.606 -1.496 1.00 0.00 H new ATOM 1139 N LYS A 70 5.249 5.633 -1.639 1.00 0.00 N ATOM 1140 CA LYS A 70 5.169 6.482 -0.457 1.00 0.00 C ATOM 1141 C LYS A 70 4.541 5.731 0.713 1.00 0.00 C ATOM 1142 O LYS A 70 3.453 5.168 0.589 1.00 0.00 O ATOM 1143 CB LYS A 70 4.356 7.742 -0.763 1.00 0.00 C ATOM 1144 CG LYS A 70 4.219 8.681 0.423 1.00 0.00 C ATOM 1145 CD LYS A 70 2.928 9.481 0.356 1.00 0.00 C ATOM 1146 CE LYS A 70 1.728 8.637 0.755 1.00 0.00 C ATOM 1147 NZ LYS A 70 0.449 9.384 0.604 1.00 0.00 N ATOM 0 H LYS A 70 4.380 5.151 -1.871 1.00 0.00 H new ATOM 0 HA LYS A 70 6.183 6.769 -0.178 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.828 8.277 -1.587 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.362 7.450 -1.101 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.244 8.106 1.348 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.069 9.362 0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.001 10.346 1.015 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.786 9.861 -0.656 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.697 7.737 0.141 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.840 8.314 1.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 0.031 9.549 1.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 0.633 10.297 0.141 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.211 8.828 0.023 1.00 0.00 H new ATOM 1161 N LEU A 71 5.233 5.727 1.846 1.00 0.00 N ATOM 1162 CA LEU A 71 4.742 5.045 3.040 1.00 0.00 C ATOM 1163 C LEU A 71 3.446 5.679 3.535 1.00 0.00 C ATOM 1164 O LEU A 71 3.369 6.895 3.717 1.00 0.00 O ATOM 1165 CB LEU A 71 5.798 5.086 4.146 1.00 0.00 C ATOM 1166 CG LEU A 71 5.547 4.174 5.347 1.00 0.00 C ATOM 1167 CD1 LEU A 71 5.907 2.736 5.010 1.00 0.00 C ATOM 1168 CD2 LEU A 71 6.339 4.654 6.555 1.00 0.00 C ATOM 0 H LEU A 71 6.135 6.188 1.964 1.00 0.00 H new ATOM 0 HA LEU A 71 4.540 4.007 2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.762 4.823 3.710 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.880 6.112 4.505 1.00 0.00 H new ATOM 0 HG LEU A 71 4.486 4.213 5.593 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.722 2.102 5.877 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.297 2.395 4.174 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.961 2.679 4.737 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.149 3.993 7.401 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.403 4.644 6.320 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.033 5.668 6.811 1.00 0.00 H new ATOM 1180 N ILE A 72 2.433 4.849 3.753 1.00 0.00 N ATOM 1181 CA ILE A 72 1.141 5.329 4.230 1.00 0.00 C ATOM 1182 C ILE A 72 0.872 4.856 5.655 1.00 0.00 C ATOM 1183 O ILE A 72 0.114 5.482 6.395 1.00 0.00 O ATOM 1184 CB ILE A 72 -0.008 4.856 3.319 1.00 0.00 C ATOM 1185 CG1 ILE A 72 0.002 3.330 3.201 1.00 0.00 C ATOM 1186 CG2 ILE A 72 0.107 5.499 1.946 1.00 0.00 C ATOM 1187 CD1 ILE A 72 -1.049 2.791 2.256 1.00 0.00 C ATOM 0 H ILE A 72 2.481 3.841 3.607 1.00 0.00 H new ATOM 0 HA ILE A 72 1.183 6.418 4.212 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.955 5.162 3.764 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.986 3.006 2.861 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.152 2.896 4.189 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.712 5.155 1.314 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.057 6.583 2.047 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.058 5.220 1.492 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -0.984 1.703 2.222 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.038 3.084 2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.883 3.196 1.258 1.00 0.00 H new ATOM 1199 N GLY A 73 1.501 3.748 6.035 1.00 0.00 N ATOM 1200 CA GLY A 73 1.318 3.211 7.371 1.00 0.00 C ATOM 1201 C GLY A 73 2.418 2.244 7.762 1.00 0.00 C ATOM 1202 O GLY A 73 2.669 1.263 7.064 1.00 0.00 O ATOM 0 H GLY A 73 2.134 3.212 5.441 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.288 4.031 8.088 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.355 2.703 7.427 1.00 0.00 H new ATOM 1206 N ARG A 74 3.077 2.523 8.882 1.00 0.00 N ATOM 1207 CA ARG A 74 4.158 1.672 9.365 1.00 0.00 C ATOM 1208 C ARG A 74 3.855 1.150 10.766 1.00 0.00 C ATOM 1209 O ARG A 74 3.628 1.929 11.692 1.00 0.00 O ATOM 1210 CB ARG A 74 5.480 2.442 9.369 1.00 0.00 C ATOM 1211 CG ARG A 74 5.688 3.285 10.617 1.00 0.00 C ATOM 1212 CD ARG A 74 6.642 4.440 10.355 1.00 0.00 C ATOM 1213 NE ARG A 74 6.486 5.512 11.335 1.00 0.00 N ATOM 1214 CZ ARG A 74 6.947 5.442 12.579 1.00 0.00 C ATOM 1215 NH1 ARG A 74 7.590 4.359 12.992 1.00 0.00 N ATOM 1216 NH2 ARG A 74 6.766 6.459 13.412 1.00 0.00 N ATOM 0 H ARG A 74 2.881 3.332 9.472 1.00 0.00 H new ATOM 0 HA ARG A 74 4.245 0.820 8.690 1.00 0.00 H new ATOM 0 HB2 ARG A 74 6.304 1.734 9.277 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.517 3.089 8.493 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.729 3.674 10.959 1.00 0.00 H new ATOM 0 HG3 ARG A 74 6.082 2.660 11.418 1.00 0.00 H new ATOM 0 HD2 ARG A 74 7.669 4.074 10.378 1.00 0.00 H new ATOM 0 HD3 ARG A 74 6.467 4.835 9.354 1.00 0.00 H new ATOM 0 HE ARG A 74 5.997 6.360 11.049 1.00 0.00 H new ATOM 0 HH11 ARG A 74 7.732 3.576 12.354 1.00 0.00 H new ATOM 0 HH12 ARG A 74 7.943 4.309 13.948 1.00 0.00 H new ATOM 0 HH21 ARG A 74 6.273 7.295 13.097 1.00 0.00 H new ATOM 0 HH22 ARG A 74 7.120 6.405 14.367 1.00 0.00 H new ATOM 1230 N GLU A 75 3.853 -0.171 10.914 1.00 0.00 N ATOM 1231 CA GLU A 75 3.578 -0.794 12.202 1.00 0.00 C ATOM 1232 C GLU A 75 4.640 -1.837 12.541 1.00 0.00 C ATOM 1233 O GLU A 75 4.878 -2.767 11.772 1.00 0.00 O ATOM 1234 CB GLU A 75 2.193 -1.446 12.192 1.00 0.00 C ATOM 1235 CG GLU A 75 1.052 -0.450 12.077 1.00 0.00 C ATOM 1236 CD GLU A 75 0.610 0.090 13.424 1.00 0.00 C ATOM 1237 OE1 GLU A 75 0.000 -0.677 14.199 1.00 0.00 O ATOM 1238 OE2 GLU A 75 0.873 1.279 13.703 1.00 0.00 O ATOM 0 H GLU A 75 4.039 -0.830 10.158 1.00 0.00 H new ATOM 0 HA GLU A 75 3.601 -0.016 12.965 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.137 -2.147 11.360 1.00 0.00 H new ATOM 0 HB3 GLU A 75 2.067 -2.026 13.106 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.362 0.379 11.441 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.205 -0.929 11.586 1.00 0.00 H new ATOM 1245 N MET A 76 5.274 -1.673 13.697 1.00 0.00 N ATOM 1246 CA MET A 76 6.310 -2.600 14.138 1.00 0.00 C ATOM 1247 C MET A 76 5.861 -3.369 15.376 1.00 0.00 C ATOM 1248 O MET A 76 5.674 -2.789 16.447 1.00 0.00 O ATOM 1249 CB MET A 76 7.606 -1.844 14.436 1.00 0.00 C ATOM 1250 CG MET A 76 8.150 -1.073 13.243 1.00 0.00 C ATOM 1251 SD MET A 76 9.275 0.250 13.725 1.00 0.00 S ATOM 1252 CE MET A 76 10.185 -0.545 15.048 1.00 0.00 C ATOM 0 H MET A 76 5.089 -0.907 14.345 1.00 0.00 H new ATOM 0 HA MET A 76 6.490 -3.314 13.334 1.00 0.00 H new ATOM 0 HB2 MET A 76 7.431 -1.149 15.257 1.00 0.00 H new ATOM 0 HB3 MET A 76 8.361 -2.554 14.774 1.00 0.00 H new ATOM 0 HG2 MET A 76 8.670 -1.762 12.577 1.00 0.00 H new ATOM 0 HG3 MET A 76 7.319 -0.650 12.679 1.00 0.00 H new ATOM 0 HE1 MET A 76 11.092 0.022 15.258 1.00 0.00 H new ATOM 0 HE2 MET A 76 9.565 -0.583 15.944 1.00 0.00 H new ATOM 0 HE3 MET A 76 10.452 -1.558 14.748 1.00 0.00 H new ATOM 1262 N LYS A 77 5.687 -4.677 15.224 1.00 0.00 N ATOM 1263 CA LYS A 77 5.260 -5.527 16.328 1.00 0.00 C ATOM 1264 C LYS A 77 6.333 -6.555 16.670 1.00 0.00 C ATOM 1265 O LYS A 77 7.040 -7.044 15.790 1.00 0.00 O ATOM 1266 CB LYS A 77 3.951 -6.238 15.976 1.00 0.00 C ATOM 1267 CG LYS A 77 2.718 -5.371 16.166 1.00 0.00 C ATOM 1268 CD LYS A 77 2.413 -4.555 14.921 1.00 0.00 C ATOM 1269 CE LYS A 77 1.680 -5.385 13.877 1.00 0.00 C ATOM 1270 NZ LYS A 77 1.874 -4.844 12.503 1.00 0.00 N ATOM 0 H LYS A 77 5.836 -5.172 14.345 1.00 0.00 H new ATOM 0 HA LYS A 77 5.098 -4.893 17.200 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.995 -6.570 14.939 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.855 -7.132 16.593 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.862 -6.002 16.407 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.870 -4.702 17.013 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.807 -3.690 15.191 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.342 -4.174 14.498 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.036 -6.414 13.916 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.616 -5.407 14.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 1.552 -5.545 11.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.323 -3.969 12.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.882 -4.640 12.349 1.00 0.00 H new ATOM 1284 N ASN A 78 6.448 -6.881 17.953 1.00 0.00 N ATOM 1285 CA ASN A 78 7.435 -7.853 18.410 1.00 0.00 C ATOM 1286 C ASN A 78 7.210 -9.208 17.748 1.00 0.00 C ATOM 1287 O ASN A 78 8.074 -10.085 17.797 1.00 0.00 O ATOM 1288 CB ASN A 78 7.369 -7.999 19.933 1.00 0.00 C ATOM 1289 CG ASN A 78 8.656 -8.549 20.516 1.00 0.00 C ATOM 1290 OD1 ASN A 78 8.691 -9.667 21.031 1.00 0.00 O ATOM 1291 ND2 ASN A 78 9.724 -7.763 20.438 1.00 0.00 N ATOM 0 H ASN A 78 5.870 -6.486 18.695 1.00 0.00 H new ATOM 0 HA ASN A 78 8.424 -7.491 18.128 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.157 -7.028 20.380 1.00 0.00 H new ATOM 0 HB3 ASN A 78 6.542 -8.659 20.197 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.618 -8.079 20.813 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.650 -6.844 20.003 1.00 0.00 H new ATOM 1298 N ASP A 79 6.047 -9.372 17.128 1.00 0.00 N ATOM 1299 CA ASP A 79 5.710 -10.621 16.454 1.00 0.00 C ATOM 1300 C ASP A 79 6.074 -10.554 14.973 1.00 0.00 C ATOM 1301 O ASP A 79 6.425 -11.566 14.366 1.00 0.00 O ATOM 1302 CB ASP A 79 4.219 -10.923 16.612 1.00 0.00 C ATOM 1303 CG ASP A 79 3.806 -11.061 18.064 1.00 0.00 C ATOM 1304 OD1 ASP A 79 4.230 -10.218 18.883 1.00 0.00 O ATOM 1305 OD2 ASP A 79 3.060 -12.010 18.382 1.00 0.00 O ATOM 0 H ASP A 79 5.322 -8.656 17.078 1.00 0.00 H new ATOM 0 HA ASP A 79 6.287 -11.423 16.916 1.00 0.00 H new ATOM 0 HB2 ASP A 79 3.639 -10.126 16.147 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.980 -11.844 16.080 1.00 0.00 H new ATOM 1310 N ARG A 80 5.987 -9.358 14.401 1.00 0.00 N ATOM 1311 CA ARG A 80 6.305 -9.160 12.992 1.00 0.00 C ATOM 1312 C ARG A 80 6.233 -7.682 12.621 1.00 0.00 C ATOM 1313 O ARG A 80 5.560 -6.897 13.288 1.00 0.00 O ATOM 1314 CB ARG A 80 5.347 -9.966 12.114 1.00 0.00 C ATOM 1315 CG ARG A 80 3.881 -9.662 12.374 1.00 0.00 C ATOM 1316 CD ARG A 80 2.990 -10.826 11.967 1.00 0.00 C ATOM 1317 NE ARG A 80 2.963 -11.014 10.519 1.00 0.00 N ATOM 1318 CZ ARG A 80 2.226 -11.938 9.912 1.00 0.00 C ATOM 1319 NH1 ARG A 80 1.458 -12.752 10.624 1.00 0.00 N ATOM 1320 NH2 ARG A 80 2.255 -12.048 8.590 1.00 0.00 N ATOM 0 H ARG A 80 5.699 -8.511 14.891 1.00 0.00 H new ATOM 0 HA ARG A 80 7.323 -9.509 12.822 1.00 0.00 H new ATOM 0 HB2 ARG A 80 5.571 -9.764 11.066 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.524 -11.029 12.279 1.00 0.00 H new ATOM 0 HG2 ARG A 80 3.736 -9.444 13.432 1.00 0.00 H new ATOM 0 HG3 ARG A 80 3.590 -8.769 11.821 1.00 0.00 H new ATOM 0 HD2 ARG A 80 3.346 -11.739 12.445 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.977 -10.651 12.329 1.00 0.00 H new ATOM 0 HE ARG A 80 3.541 -10.403 9.942 1.00 0.00 H new ATOM 0 HH11 ARG A 80 1.432 -12.670 11.640 1.00 0.00 H new ATOM 0 HH12 ARG A 80 0.893 -13.460 10.155 1.00 0.00 H new ATOM 0 HH21 ARG A 80 2.843 -11.423 8.039 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.689 -12.758 8.125 1.00 0.00 H new ATOM 1334 N ILE A 81 6.931 -7.311 11.553 1.00 0.00 N ATOM 1335 CA ILE A 81 6.946 -5.928 11.093 1.00 0.00 C ATOM 1336 C ILE A 81 6.055 -5.747 9.869 1.00 0.00 C ATOM 1337 O ILE A 81 6.221 -6.433 8.859 1.00 0.00 O ATOM 1338 CB ILE A 81 8.373 -5.464 10.750 1.00 0.00 C ATOM 1339 CG1 ILE A 81 9.223 -5.376 12.019 1.00 0.00 C ATOM 1340 CG2 ILE A 81 8.336 -4.121 10.035 1.00 0.00 C ATOM 1341 CD1 ILE A 81 10.646 -4.930 11.762 1.00 0.00 C ATOM 0 H ILE A 81 7.494 -7.949 10.990 1.00 0.00 H new ATOM 0 HA ILE A 81 6.563 -5.319 11.911 1.00 0.00 H new ATOM 0 HB ILE A 81 8.827 -6.196 10.082 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.753 -4.681 12.714 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.238 -6.352 12.505 1.00 0.00 H new ATOM 0 HG21 ILE A 81 9.353 -3.806 9.799 1.00 0.00 H new ATOM 0 HG22 ILE A 81 7.762 -4.215 9.113 1.00 0.00 H new ATOM 0 HG23 ILE A 81 7.867 -3.378 10.680 1.00 0.00 H new ATOM 0 HD11 ILE A 81 11.191 -4.890 12.705 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.134 -5.637 11.091 1.00 0.00 H new ATOM 0 HD13 ILE A 81 10.640 -3.941 11.304 1.00 0.00 H new ATOM 1353 N LYS A 82 5.110 -4.817 9.962 1.00 0.00 N ATOM 1354 CA LYS A 82 4.194 -4.542 8.862 1.00 0.00 C ATOM 1355 C LYS A 82 4.526 -3.208 8.199 1.00 0.00 C ATOM 1356 O LYS A 82 4.654 -2.185 8.871 1.00 0.00 O ATOM 1357 CB LYS A 82 2.749 -4.529 9.365 1.00 0.00 C ATOM 1358 CG LYS A 82 1.736 -4.951 8.316 1.00 0.00 C ATOM 1359 CD LYS A 82 0.510 -5.589 8.948 1.00 0.00 C ATOM 1360 CE LYS A 82 -0.254 -6.441 7.947 1.00 0.00 C ATOM 1361 NZ LYS A 82 0.283 -7.828 7.874 1.00 0.00 N ATOM 0 H LYS A 82 4.959 -4.240 10.790 1.00 0.00 H new ATOM 0 HA LYS A 82 4.306 -5.334 8.121 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.667 -5.193 10.225 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.503 -3.526 9.712 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.434 -4.083 7.731 1.00 0.00 H new ATOM 0 HG3 LYS A 82 2.199 -5.656 7.625 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.815 -6.205 9.794 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.145 -4.811 9.340 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -1.307 -6.474 8.227 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.201 -5.979 6.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.265 -8.376 7.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 1.281 -7.799 7.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.209 -8.279 8.808 1.00 0.00 H new ATOM 1375 N VAL A 83 4.662 -3.228 6.877 1.00 0.00 N ATOM 1376 CA VAL A 83 4.975 -2.020 6.124 1.00 0.00 C ATOM 1377 C VAL A 83 4.044 -1.861 4.927 1.00 0.00 C ATOM 1378 O VAL A 83 3.995 -2.719 4.046 1.00 0.00 O ATOM 1379 CB VAL A 83 6.433 -2.031 5.626 1.00 0.00 C ATOM 1380 CG1 VAL A 83 6.726 -0.785 4.803 1.00 0.00 C ATOM 1381 CG2 VAL A 83 7.394 -2.143 6.799 1.00 0.00 C ATOM 0 H VAL A 83 4.560 -4.067 6.306 1.00 0.00 H new ATOM 0 HA VAL A 83 4.836 -1.179 6.804 1.00 0.00 H new ATOM 0 HB VAL A 83 6.574 -2.901 4.985 1.00 0.00 H new ATOM 0 HG11 VAL A 83 7.760 -0.810 4.460 1.00 0.00 H new ATOM 0 HG12 VAL A 83 6.059 -0.753 3.942 1.00 0.00 H new ATOM 0 HG13 VAL A 83 6.569 0.102 5.417 1.00 0.00 H new ATOM 0 HG21 VAL A 83 8.420 -2.149 6.430 1.00 0.00 H new ATOM 0 HG22 VAL A 83 7.254 -1.293 7.467 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.198 -3.067 7.343 1.00 0.00 H new ATOM 1391 N SER A 84 3.304 -0.757 4.902 1.00 0.00 N ATOM 1392 CA SER A 84 2.370 -0.486 3.816 1.00 0.00 C ATOM 1393 C SER A 84 2.836 0.705 2.983 1.00 0.00 C ATOM 1394 O SER A 84 3.145 1.770 3.520 1.00 0.00 O ATOM 1395 CB SER A 84 0.971 -0.218 4.372 1.00 0.00 C ATOM 1396 OG SER A 84 0.274 -1.430 4.604 1.00 0.00 O ATOM 0 H SER A 84 3.333 -0.035 5.622 1.00 0.00 H new ATOM 0 HA SER A 84 2.334 -1.365 3.173 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.048 0.345 5.302 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.410 0.400 3.671 1.00 0.00 H new ATOM 0 HG SER A 84 -0.617 -1.232 4.961 1.00 0.00 H new ATOM 1402 N LEU A 85 2.883 0.519 1.669 1.00 0.00 N ATOM 1403 CA LEU A 85 3.309 1.577 0.760 1.00 0.00 C ATOM 1404 C LEU A 85 2.229 1.876 -0.274 1.00 0.00 C ATOM 1405 O LEU A 85 1.330 1.066 -0.500 1.00 0.00 O ATOM 1406 CB LEU A 85 4.608 1.178 0.056 1.00 0.00 C ATOM 1407 CG LEU A 85 5.689 0.559 0.943 1.00 0.00 C ATOM 1408 CD1 LEU A 85 6.882 0.124 0.105 1.00 0.00 C ATOM 1409 CD2 LEU A 85 6.122 1.540 2.021 1.00 0.00 C ATOM 0 H LEU A 85 2.631 -0.356 1.209 1.00 0.00 H new ATOM 0 HA LEU A 85 3.482 2.479 1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 85 4.366 0.469 -0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.024 2.063 -0.425 1.00 0.00 H new ATOM 0 HG LEU A 85 5.271 -0.322 1.430 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.641 -0.314 0.753 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.561 -0.615 -0.629 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.300 0.989 -0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 85 6.892 1.082 2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 85 6.521 2.441 1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.264 1.802 2.640 1.00 0.00 H new ATOM 1421 N SER A 86 2.323 3.045 -0.899 1.00 0.00 N ATOM 1422 CA SER A 86 1.353 3.452 -1.908 1.00 0.00 C ATOM 1423 C SER A 86 2.054 4.031 -3.134 1.00 0.00 C ATOM 1424 O SER A 86 3.087 4.691 -3.018 1.00 0.00 O ATOM 1425 CB SER A 86 0.383 4.483 -1.327 1.00 0.00 C ATOM 1426 OG SER A 86 -0.659 4.775 -2.241 1.00 0.00 O ATOM 0 H SER A 86 3.061 3.727 -0.724 1.00 0.00 H new ATOM 0 HA SER A 86 0.793 2.569 -2.215 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.041 4.104 -0.397 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.923 5.398 -1.082 1.00 0.00 H new ATOM 0 HG SER A 86 -1.394 4.139 -2.113 1.00 0.00 H new ATOM 1432 N MET A 87 1.484 3.779 -4.308 1.00 0.00 N ATOM 1433 CA MET A 87 2.053 4.277 -5.555 1.00 0.00 C ATOM 1434 C MET A 87 1.088 5.235 -6.248 1.00 0.00 C ATOM 1435 O MET A 87 1.502 6.085 -7.037 1.00 0.00 O ATOM 1436 CB MET A 87 2.389 3.110 -6.487 1.00 0.00 C ATOM 1437 CG MET A 87 3.550 2.259 -5.999 1.00 0.00 C ATOM 1438 SD MET A 87 3.564 0.614 -6.739 1.00 0.00 S ATOM 1439 CE MET A 87 3.930 1.015 -8.446 1.00 0.00 C ATOM 0 H MET A 87 0.630 3.234 -4.422 1.00 0.00 H new ATOM 0 HA MET A 87 2.968 4.820 -5.318 1.00 0.00 H new ATOM 0 HB2 MET A 87 1.507 2.479 -6.598 1.00 0.00 H new ATOM 0 HB3 MET A 87 2.627 3.502 -7.476 1.00 0.00 H new ATOM 0 HG2 MET A 87 4.488 2.765 -6.229 1.00 0.00 H new ATOM 0 HG3 MET A 87 3.496 2.165 -4.914 1.00 0.00 H new ATOM 0 HE1 MET A 87 4.351 0.141 -8.943 1.00 0.00 H new ATOM 0 HE2 MET A 87 3.013 1.315 -8.954 1.00 0.00 H new ATOM 0 HE3 MET A 87 4.649 1.834 -8.481 1.00 0.00 H new ATOM 1449 N LYS A 88 -0.198 5.091 -5.950 1.00 0.00 N ATOM 1450 CA LYS A 88 -1.221 5.944 -6.543 1.00 0.00 C ATOM 1451 C LYS A 88 -1.074 7.384 -6.064 1.00 0.00 C ATOM 1452 O LYS A 88 -1.664 8.302 -6.634 1.00 0.00 O ATOM 1453 CB LYS A 88 -2.616 5.419 -6.195 1.00 0.00 C ATOM 1454 CG LYS A 88 -3.014 5.662 -4.750 1.00 0.00 C ATOM 1455 CD LYS A 88 -4.486 5.365 -4.519 1.00 0.00 C ATOM 1456 CE LYS A 88 -5.053 6.204 -3.384 1.00 0.00 C ATOM 1457 NZ LYS A 88 -5.061 7.654 -3.717 1.00 0.00 N ATOM 0 H LYS A 88 -0.557 4.391 -5.301 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.092 5.925 -7.625 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -3.347 5.894 -6.849 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -2.653 4.349 -6.398 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -2.408 5.036 -4.095 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.805 6.698 -4.483 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -5.046 5.562 -5.433 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -4.613 4.307 -4.289 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -6.069 5.877 -3.163 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.462 6.042 -2.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -4.736 8.201 -2.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -4.426 7.829 -4.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.027 7.947 -3.968 1.00 0.00 H new ATOM 1471 N VAL A 89 -0.281 7.576 -5.015 1.00 0.00 N ATOM 1472 CA VAL A 89 -0.054 8.905 -4.461 1.00 0.00 C ATOM 1473 C VAL A 89 1.361 9.390 -4.757 1.00 0.00 C ATOM 1474 O VAL A 89 1.855 10.322 -4.123 1.00 0.00 O ATOM 1475 CB VAL A 89 -0.284 8.926 -2.938 1.00 0.00 C ATOM 1476 CG1 VAL A 89 -1.720 8.545 -2.609 1.00 0.00 C ATOM 1477 CG2 VAL A 89 0.696 7.995 -2.239 1.00 0.00 C ATOM 0 H VAL A 89 0.215 6.827 -4.532 1.00 0.00 H new ATOM 0 HA VAL A 89 -0.771 9.573 -4.938 1.00 0.00 H new ATOM 0 HB VAL A 89 -0.110 9.939 -2.576 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.863 8.565 -1.529 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.401 9.254 -3.079 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -1.925 7.542 -2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 89 0.520 8.022 -1.164 1.00 0.00 H new ATOM 0 HG22 VAL A 89 0.555 6.978 -2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.716 8.318 -2.448 1.00 0.00 H new ATOM 1487 N VAL A 90 2.009 8.749 -5.724 1.00 0.00 N ATOM 1488 CA VAL A 90 3.368 9.116 -6.107 1.00 0.00 C ATOM 1489 C VAL A 90 3.560 9.017 -7.615 1.00 0.00 C ATOM 1490 O VAL A 90 3.096 8.070 -8.249 1.00 0.00 O ATOM 1491 CB VAL A 90 4.408 8.221 -5.408 1.00 0.00 C ATOM 1492 CG1 VAL A 90 5.804 8.806 -5.558 1.00 0.00 C ATOM 1493 CG2 VAL A 90 4.053 8.039 -3.940 1.00 0.00 C ATOM 0 H VAL A 90 1.616 7.973 -6.257 1.00 0.00 H new ATOM 0 HA VAL A 90 3.518 10.149 -5.792 1.00 0.00 H new ATOM 0 HB VAL A 90 4.398 7.241 -5.886 1.00 0.00 H new ATOM 0 HG11 VAL A 90 6.525 8.160 -5.058 1.00 0.00 H new ATOM 0 HG12 VAL A 90 6.056 8.880 -6.616 1.00 0.00 H new ATOM 0 HG13 VAL A 90 5.833 9.798 -5.108 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.798 7.404 -3.461 1.00 0.00 H new ATOM 0 HG22 VAL A 90 4.034 9.011 -3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 90 3.072 7.572 -3.858 1.00 0.00 H new ATOM 1503 N ASN A 91 4.249 10.000 -8.185 1.00 0.00 N ATOM 1504 CA ASN A 91 4.503 10.024 -9.622 1.00 0.00 C ATOM 1505 C ASN A 91 5.537 8.971 -10.007 1.00 0.00 C ATOM 1506 O ASN A 91 6.615 8.899 -9.416 1.00 0.00 O ATOM 1507 CB ASN A 91 4.985 11.411 -10.052 1.00 0.00 C ATOM 1508 CG ASN A 91 4.926 11.602 -11.555 1.00 0.00 C ATOM 1509 OD1 ASN A 91 5.950 11.558 -12.238 1.00 0.00 O ATOM 1510 ND2 ASN A 91 3.724 11.815 -12.078 1.00 0.00 N ATOM 0 H ASN A 91 4.642 10.791 -7.674 1.00 0.00 H new ATOM 0 HA ASN A 91 3.569 9.796 -10.136 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.373 12.172 -9.567 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.009 11.559 -9.709 1.00 0.00 H new ATOM 0 HD21 ASN A 91 3.622 11.950 -13.084 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.903 11.843 -11.474 1.00 0.00 H new ATOM 1517 N GLN A 92 5.203 8.157 -11.004 1.00 0.00 N ATOM 1518 CA GLN A 92 6.102 7.109 -11.470 1.00 0.00 C ATOM 1519 C GLN A 92 6.980 7.611 -12.610 1.00 0.00 C ATOM 1520 O GLN A 92 7.053 6.992 -13.671 1.00 0.00 O ATOM 1521 CB GLN A 92 5.303 5.888 -11.926 1.00 0.00 C ATOM 1522 CG GLN A 92 4.660 5.119 -10.783 1.00 0.00 C ATOM 1523 CD GLN A 92 3.314 5.687 -10.380 1.00 0.00 C ATOM 1524 OE1 GLN A 92 2.568 6.198 -11.216 1.00 0.00 O ATOM 1525 NE2 GLN A 92 2.994 5.601 -9.094 1.00 0.00 N ATOM 0 H GLN A 92 4.315 8.204 -11.504 1.00 0.00 H new ATOM 0 HA GLN A 92 6.747 6.823 -10.639 1.00 0.00 H new ATOM 0 HB2 GLN A 92 4.525 6.211 -12.618 1.00 0.00 H new ATOM 0 HB3 GLN A 92 5.963 5.218 -12.478 1.00 0.00 H new ATOM 0 HG2 GLN A 92 4.537 4.076 -11.076 1.00 0.00 H new ATOM 0 HG3 GLN A 92 5.328 5.131 -9.921 1.00 0.00 H new ATOM 0 HE21 GLN A 92 3.642 5.170 -8.435 1.00 0.00 H new ATOM 0 HE22 GLN A 92 2.100 5.966 -8.765 1.00 0.00 H new ATOM 1534 N GLY A 93 7.646 8.740 -12.385 1.00 0.00 N ATOM 1535 CA GLY A 93 8.511 9.308 -13.403 1.00 0.00 C ATOM 1536 C GLY A 93 9.532 10.268 -12.827 1.00 0.00 C ATOM 1537 O GLY A 93 10.669 10.334 -13.297 1.00 0.00 O ATOM 0 H GLY A 93 7.602 9.271 -11.516 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.028 8.504 -13.926 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.903 9.830 -14.142 1.00 0.00 H new ATOM 1541 N THR A 94 9.128 11.018 -11.806 1.00 0.00 N ATOM 1542 CA THR A 94 10.015 11.981 -11.166 1.00 0.00 C ATOM 1543 C THR A 94 10.143 11.705 -9.673 1.00 0.00 C ATOM 1544 O THR A 94 11.155 12.035 -9.056 1.00 0.00 O ATOM 1545 CB THR A 94 9.515 13.424 -11.369 1.00 0.00 C ATOM 1546 OG1 THR A 94 8.208 13.574 -10.803 1.00 0.00 O ATOM 1547 CG2 THR A 94 9.478 13.782 -12.846 1.00 0.00 C ATOM 0 H THR A 94 8.191 10.977 -11.405 1.00 0.00 H new ATOM 0 HA THR A 94 10.992 11.872 -11.637 1.00 0.00 H new ATOM 0 HB THR A 94 10.208 14.099 -10.866 1.00 0.00 H new ATOM 0 HG1 THR A 94 7.584 12.967 -11.254 1.00 0.00 H new ATOM 0 HG21 THR A 94 9.122 14.805 -12.964 1.00 0.00 H new ATOM 0 HG22 THR A 94 10.480 13.696 -13.266 1.00 0.00 H new ATOM 0 HG23 THR A 94 8.806 13.102 -13.369 1.00 0.00 H new ATOM 1555 N GLY A 95 9.111 11.094 -9.099 1.00 0.00 N ATOM 1556 CA GLY A 95 9.130 10.781 -7.681 1.00 0.00 C ATOM 1557 C GLY A 95 8.627 11.930 -6.828 1.00 0.00 C ATOM 1558 O GLY A 95 9.047 12.092 -5.683 1.00 0.00 O ATOM 0 H GLY A 95 8.263 10.810 -9.590 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.515 9.900 -7.498 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.147 10.528 -7.381 1.00 0.00 H new ATOM 1562 N LYS A 96 7.725 12.728 -7.388 1.00 0.00 N ATOM 1563 CA LYS A 96 7.163 13.868 -6.672 1.00 0.00 C ATOM 1564 C LYS A 96 5.853 13.489 -5.988 1.00 0.00 C ATOM 1565 O LYS A 96 4.995 12.841 -6.587 1.00 0.00 O ATOM 1566 CB LYS A 96 6.930 15.036 -7.633 1.00 0.00 C ATOM 1567 CG LYS A 96 7.025 16.398 -6.969 1.00 0.00 C ATOM 1568 CD LYS A 96 6.769 17.521 -7.961 1.00 0.00 C ATOM 1569 CE LYS A 96 7.987 17.780 -8.834 1.00 0.00 C ATOM 1570 NZ LYS A 96 7.670 18.686 -9.973 1.00 0.00 N ATOM 0 H LYS A 96 7.367 12.607 -8.335 1.00 0.00 H new ATOM 0 HA LYS A 96 7.877 14.172 -5.907 1.00 0.00 H new ATOM 0 HB2 LYS A 96 7.661 14.983 -8.440 1.00 0.00 H new ATOM 0 HB3 LYS A 96 5.945 14.931 -8.088 1.00 0.00 H new ATOM 0 HG2 LYS A 96 6.302 16.458 -6.155 1.00 0.00 H new ATOM 0 HG3 LYS A 96 8.014 16.520 -6.527 1.00 0.00 H new ATOM 0 HD2 LYS A 96 5.917 17.265 -8.590 1.00 0.00 H new ATOM 0 HD3 LYS A 96 6.506 18.431 -7.422 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.780 18.220 -8.230 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.367 16.833 -9.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 8.526 18.838 -10.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 6.931 18.255 -10.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 7.332 19.599 -9.607 1.00 0.00 H new ATOM 1584 N ASP A 97 5.707 13.898 -4.733 1.00 0.00 N ATOM 1585 CA ASP A 97 4.500 13.604 -3.969 1.00 0.00 C ATOM 1586 C ASP A 97 3.268 14.188 -4.652 1.00 0.00 C ATOM 1587 O ASP A 97 3.197 15.391 -4.906 1.00 0.00 O ATOM 1588 CB ASP A 97 4.623 14.158 -2.549 1.00 0.00 C ATOM 1589 CG ASP A 97 3.761 13.402 -1.556 1.00 0.00 C ATOM 1590 OD1 ASP A 97 3.101 12.425 -1.967 1.00 0.00 O ATOM 1591 OD2 ASP A 97 3.749 13.787 -0.368 1.00 0.00 O ATOM 0 H ASP A 97 6.409 14.434 -4.223 1.00 0.00 H new ATOM 0 HA ASP A 97 4.385 12.521 -3.920 1.00 0.00 H new ATOM 0 HB2 ASP A 97 5.665 14.110 -2.232 1.00 0.00 H new ATOM 0 HB3 ASP A 97 4.338 15.210 -2.546 1.00 0.00 H new ATOM 1596 N LEU A 98 2.299 13.328 -4.950 1.00 0.00 N ATOM 1597 CA LEU A 98 1.069 13.759 -5.605 1.00 0.00 C ATOM 1598 C LEU A 98 -0.024 14.040 -4.581 1.00 0.00 C ATOM 1599 O LEU A 98 -0.849 14.935 -4.767 1.00 0.00 O ATOM 1600 CB LEU A 98 0.595 12.692 -6.595 1.00 0.00 C ATOM 1601 CG LEU A 98 1.587 12.308 -7.693 1.00 0.00 C ATOM 1602 CD1 LEU A 98 1.095 11.085 -8.452 1.00 0.00 C ATOM 1603 CD2 LEU A 98 1.806 13.475 -8.645 1.00 0.00 C ATOM 0 H LEU A 98 2.342 12.329 -4.748 1.00 0.00 H new ATOM 0 HA LEU A 98 1.279 14.682 -6.146 1.00 0.00 H new ATOM 0 HB2 LEU A 98 0.338 11.793 -6.034 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.321 13.045 -7.068 1.00 0.00 H new ATOM 0 HG LEU A 98 2.540 12.062 -7.225 1.00 0.00 H new ATOM 0 HD11 LEU A 98 1.814 10.826 -9.230 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.989 10.247 -7.763 1.00 0.00 H new ATOM 0 HD13 LEU A 98 0.130 11.304 -8.908 1.00 0.00 H new ATOM 0 HD21 LEU A 98 2.515 13.184 -9.420 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.858 13.752 -9.106 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.203 14.326 -8.092 1.00 0.00 H new ATOM 1615 N ASP A 99 -0.025 13.271 -3.497 1.00 0.00 N ATOM 1616 CA ASP A 99 -1.015 13.440 -2.440 1.00 0.00 C ATOM 1617 C ASP A 99 -0.362 13.953 -1.160 1.00 0.00 C ATOM 1618 O ASP A 99 -0.156 13.212 -0.199 1.00 0.00 O ATOM 1619 CB ASP A 99 -1.730 12.116 -2.167 1.00 0.00 C ATOM 1620 CG ASP A 99 -3.116 12.316 -1.585 1.00 0.00 C ATOM 1621 OD1 ASP A 99 -3.991 12.845 -2.304 1.00 0.00 O ATOM 1622 OD2 ASP A 99 -3.327 11.943 -0.413 1.00 0.00 O ATOM 0 H ASP A 99 0.649 12.524 -3.328 1.00 0.00 H new ATOM 0 HA ASP A 99 -1.745 14.177 -2.774 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -1.807 11.550 -3.095 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -1.132 11.519 -1.478 1.00 0.00 H new ATOM 1627 N PRO A 100 -0.027 15.251 -1.146 1.00 0.00 N ATOM 1628 CA PRO A 100 0.608 15.893 0.009 1.00 0.00 C ATOM 1629 C PRO A 100 -0.343 16.024 1.195 1.00 0.00 C ATOM 1630 O PRO A 100 0.076 16.354 2.303 1.00 0.00 O ATOM 1631 CB PRO A 100 0.996 17.276 -0.521 1.00 0.00 C ATOM 1632 CG PRO A 100 0.042 17.534 -1.636 1.00 0.00 C ATOM 1633 CD PRO A 100 -0.243 16.195 -2.257 1.00 0.00 C ATOM 0 HA PRO A 100 1.452 15.314 0.384 1.00 0.00 H new ATOM 0 HB2 PRO A 100 0.912 18.036 0.256 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.028 17.291 -0.871 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -0.874 17.995 -1.267 1.00 0.00 H new ATOM 0 HG3 PRO A 100 0.472 18.219 -2.367 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -1.262 16.138 -2.640 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.424 15.990 -3.094 1.00 0.00 H new ATOM 1641 N ASN A 101 -1.623 15.763 0.952 1.00 0.00 N ATOM 1642 CA ASN A 101 -2.633 15.853 2.000 1.00 0.00 C ATOM 1643 C ASN A 101 -2.692 14.561 2.810 1.00 0.00 C ATOM 1644 O ASN A 101 -2.882 14.586 4.025 1.00 0.00 O ATOM 1645 CB ASN A 101 -4.005 16.150 1.392 1.00 0.00 C ATOM 1646 CG ASN A 101 -3.936 17.189 0.290 1.00 0.00 C ATOM 1647 OD1 ASN A 101 -3.225 17.015 -0.700 1.00 0.00 O ATOM 1648 ND2 ASN A 101 -4.676 18.278 0.457 1.00 0.00 N ATOM 0 H ASN A 101 -1.985 15.488 0.039 1.00 0.00 H new ATOM 0 HA ASN A 101 -2.356 16.668 2.668 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -4.430 15.229 0.993 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -4.679 16.499 2.175 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -4.670 19.012 -0.251 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -5.251 18.381 1.293 1.00 0.00 H new ATOM 1655 N ASN A 102 -2.526 13.433 2.127 1.00 0.00 N ATOM 1656 CA ASN A 102 -2.561 12.131 2.783 1.00 0.00 C ATOM 1657 C ASN A 102 -3.903 11.904 3.473 1.00 0.00 C ATOM 1658 O ASN A 102 -3.956 11.504 4.636 1.00 0.00 O ATOM 1659 CB ASN A 102 -1.426 12.019 3.803 1.00 0.00 C ATOM 1660 CG ASN A 102 -0.132 12.630 3.297 1.00 0.00 C ATOM 1661 OD1 ASN A 102 0.029 13.932 3.507 1.00 0.00 O flip ATOM 1662 ND2 ASN A 102 0.710 11.939 2.725 1.00 0.00 N flip ATOM 0 H ASN A 102 -2.366 13.394 1.120 1.00 0.00 H new ATOM 0 HA ASN A 102 -2.431 11.365 2.019 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -1.722 12.515 4.728 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -1.259 10.969 4.043 1.00 0.00 H new ATOM 0 HD21 ASN A 102 0.543 10.942 2.586 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.575 12.363 2.390 1.00 0.00 H new ATOM 1669 N VAL A 103 -4.985 12.163 2.747 1.00 0.00 N ATOM 1670 CA VAL A 103 -6.329 11.986 3.288 1.00 0.00 C ATOM 1671 C VAL A 103 -6.994 10.741 2.712 1.00 0.00 C ATOM 1672 O VAL A 103 -7.847 10.128 3.353 1.00 0.00 O ATOM 1673 CB VAL A 103 -7.217 13.211 2.997 1.00 0.00 C ATOM 1674 CG1 VAL A 103 -8.610 13.010 3.573 1.00 0.00 C ATOM 1675 CG2 VAL A 103 -6.579 14.475 3.552 1.00 0.00 C ATOM 0 H VAL A 103 -4.959 12.496 1.783 1.00 0.00 H new ATOM 0 HA VAL A 103 -6.223 11.871 4.367 1.00 0.00 H new ATOM 0 HB VAL A 103 -7.310 13.322 1.917 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -9.223 13.885 3.358 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -9.066 12.128 3.123 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -8.541 12.872 4.652 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -7.220 15.330 3.337 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.454 14.376 4.630 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -5.605 14.625 3.087 1.00 0.00 H new ATOM 1685 N ILE A 104 -6.597 10.373 1.498 1.00 0.00 N ATOM 1686 CA ILE A 104 -7.152 9.200 0.836 1.00 0.00 C ATOM 1687 C ILE A 104 -6.682 7.914 1.507 1.00 0.00 C ATOM 1688 O ILE A 104 -7.485 7.035 1.818 1.00 0.00 O ATOM 1689 CB ILE A 104 -6.767 9.159 -0.654 1.00 0.00 C ATOM 1690 CG1 ILE A 104 -7.295 10.400 -1.375 1.00 0.00 C ATOM 1691 CG2 ILE A 104 -7.304 7.893 -1.305 1.00 0.00 C ATOM 1692 CD1 ILE A 104 -6.401 11.611 -1.228 1.00 0.00 C ATOM 0 H ILE A 104 -5.893 10.871 0.953 1.00 0.00 H new ATOM 0 HA ILE A 104 -8.236 9.275 0.921 1.00 0.00 H new ATOM 0 HB ILE A 104 -5.680 9.152 -0.733 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -7.413 10.172 -2.434 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -8.285 10.641 -0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -7.024 7.878 -2.358 1.00 0.00 H new ATOM 0 HG22 ILE A 104 -6.883 7.020 -0.805 1.00 0.00 H new ATOM 0 HG23 ILE A 104 -8.390 7.872 -1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -6.838 12.453 -1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -6.303 11.865 -0.173 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -5.417 11.389 -1.641 1.00 0.00 H new ATOM 1704 N ILE A 105 -5.376 7.814 1.730 1.00 0.00 N ATOM 1705 CA ILE A 105 -4.798 6.637 2.367 1.00 0.00 C ATOM 1706 C ILE A 105 -5.518 6.310 3.671 1.00 0.00 C ATOM 1707 O ILE A 105 -5.533 5.159 4.110 1.00 0.00 O ATOM 1708 CB ILE A 105 -3.299 6.834 2.658 1.00 0.00 C ATOM 1709 CG1 ILE A 105 -3.099 7.934 3.702 1.00 0.00 C ATOM 1710 CG2 ILE A 105 -2.550 7.170 1.377 1.00 0.00 C ATOM 1711 CD1 ILE A 105 -3.137 7.429 5.128 1.00 0.00 C ATOM 0 H ILE A 105 -4.698 8.534 1.479 1.00 0.00 H new ATOM 0 HA ILE A 105 -4.919 5.808 1.669 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.897 5.903 3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -2.141 8.423 3.524 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -3.872 8.691 3.573 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.492 7.306 1.599 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -2.669 6.356 0.662 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.952 8.089 0.951 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -2.988 8.263 5.814 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -4.104 6.966 5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -2.346 6.693 5.275 1.00 0.00 H new ATOM 1723 N GLU A 106 -6.116 7.327 4.283 1.00 0.00 N ATOM 1724 CA GLU A 106 -6.839 7.145 5.536 1.00 0.00 C ATOM 1725 C GLU A 106 -8.259 6.647 5.278 1.00 0.00 C ATOM 1726 O GLU A 106 -9.227 7.206 5.794 1.00 0.00 O ATOM 1727 CB GLU A 106 -6.882 8.457 6.321 1.00 0.00 C ATOM 1728 CG GLU A 106 -7.001 8.265 7.823 1.00 0.00 C ATOM 1729 CD GLU A 106 -8.442 8.210 8.293 1.00 0.00 C ATOM 1730 OE1 GLU A 106 -9.188 9.177 8.031 1.00 0.00 O ATOM 1731 OE2 GLU A 106 -8.823 7.202 8.923 1.00 0.00 O ATOM 0 H GLU A 106 -6.114 8.285 3.932 1.00 0.00 H new ATOM 0 HA GLU A 106 -6.311 6.395 6.125 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -5.979 9.028 6.107 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -7.726 9.052 5.971 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.494 7.343 8.109 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.488 9.081 8.331 1.00 0.00 H new