USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 771 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 66 HIS : no HD1:sc= -2.42 K(o=-3.5,f=-4.1) USER MOD Set 1.2: A 67 ASN : amide:sc= -1.08 K(o=-3.5,f=-7.8!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot -150:sc= -1.29 USER MOD Single : A 27 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0427) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0675 K(o=-0.068,f=-1.1) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc=-0.00405 X(o=-0.0041,f=-0.035) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= -0.0172 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 34:sc= 0.749 USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.24 F(o=-1.7,f=-0.24) USER MOD Single : A 74 HIS : no HD1:sc= -0.0463 X(o=-0.046,f=-0.12) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 133:sc= -0.492 (180deg=-1.14) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000456) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 138:sc= -1.48 USER MOD Single : A 95 THR OG1 : rot -18:sc= 0.33 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 HIS :FLIP no HD1:sc= -0.845 F(o=-2.8!,f=-0.85) USER MOD Single : A 108 THR OG1 : rot -180:sc= 0.548 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 265 N GLU A 20 -4.570 -10.279 -6.310 1.00 0.00 N ATOM 266 CA GLU A 20 -4.344 -10.489 -4.886 1.00 0.00 C ATOM 267 C GLU A 20 -4.052 -9.168 -4.181 1.00 0.00 C ATOM 268 O GLU A 20 -4.583 -8.892 -3.105 1.00 0.00 O ATOM 269 CB GLU A 20 -3.185 -11.463 -4.668 1.00 0.00 C ATOM 270 CG GLU A 20 -3.369 -12.795 -5.376 1.00 0.00 C ATOM 271 CD GLU A 20 -2.179 -13.719 -5.200 1.00 0.00 C ATOM 272 OE1 GLU A 20 -2.060 -14.337 -4.122 1.00 0.00 O ATOM 273 OE2 GLU A 20 -1.366 -13.822 -6.142 1.00 0.00 O ATOM 0 HA GLU A 20 -5.252 -10.916 -4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.262 -11.000 -5.017 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.068 -11.642 -3.599 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.264 -13.285 -4.993 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.532 -12.618 -6.439 1.00 0.00 H new ATOM 280 N THR A 21 -3.201 -8.352 -4.796 1.00 0.00 N ATOM 281 CA THR A 21 -2.834 -7.060 -4.228 1.00 0.00 C ATOM 282 C THR A 21 -2.933 -5.954 -5.272 1.00 0.00 C ATOM 283 O THR A 21 -2.751 -6.177 -6.468 1.00 0.00 O ATOM 284 CB THR A 21 -1.404 -7.084 -3.655 1.00 0.00 C ATOM 285 OG1 THR A 21 -0.464 -6.714 -4.670 1.00 0.00 O ATOM 286 CG2 THR A 21 -1.060 -8.464 -3.116 1.00 0.00 C ATOM 0 H THR A 21 -2.753 -8.563 -5.688 1.00 0.00 H new ATOM 0 HA THR A 21 -3.537 -6.858 -3.420 1.00 0.00 H new ATOM 0 HB THR A 21 -1.353 -6.368 -2.834 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.442 -6.730 -4.298 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.046 -8.456 -2.717 1.00 0.00 H new ATOM 0 HG22 THR A 21 -1.760 -8.730 -2.324 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.128 -9.196 -3.921 1.00 0.00 H new ATOM 294 N PRO A 22 -3.229 -4.729 -4.810 1.00 0.00 N ATOM 295 CA PRO A 22 -3.358 -3.562 -5.688 1.00 0.00 C ATOM 296 C PRO A 22 -2.019 -3.125 -6.272 1.00 0.00 C ATOM 297 O PRO A 22 -0.966 -3.621 -5.873 1.00 0.00 O ATOM 298 CB PRO A 22 -3.915 -2.480 -4.759 1.00 0.00 C ATOM 299 CG PRO A 22 -3.473 -2.886 -3.396 1.00 0.00 C ATOM 300 CD PRO A 22 -3.459 -4.389 -3.396 1.00 0.00 C ATOM 0 HA PRO A 22 -3.990 -3.769 -6.551 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.530 -1.495 -5.023 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.002 -2.425 -4.823 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.484 -2.487 -3.171 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.152 -2.502 -2.635 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.671 -4.783 -2.755 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.401 -4.799 -3.032 1.00 0.00 H new ATOM 308 N SER A 23 -2.067 -2.194 -7.219 1.00 0.00 N ATOM 309 CA SER A 23 -0.857 -1.692 -7.860 1.00 0.00 C ATOM 310 C SER A 23 -0.100 -0.749 -6.931 1.00 0.00 C ATOM 311 O SER A 23 1.131 -0.744 -6.903 1.00 0.00 O ATOM 312 CB SER A 23 -1.207 -0.971 -9.163 1.00 0.00 C ATOM 313 OG SER A 23 -0.078 -0.879 -10.014 1.00 0.00 O ATOM 0 H SER A 23 -2.931 -1.772 -7.560 1.00 0.00 H new ATOM 0 HA SER A 23 -0.215 -2.544 -8.085 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.009 -1.505 -9.674 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.581 0.028 -8.940 1.00 0.00 H new ATOM 0 HG SER A 23 -0.328 -0.416 -10.840 1.00 0.00 H new ATOM 319 N CYS A 24 -0.845 0.047 -6.171 1.00 0.00 N ATOM 320 CA CYS A 24 -0.245 0.996 -5.240 1.00 0.00 C ATOM 321 C CYS A 24 0.657 0.280 -4.241 1.00 0.00 C ATOM 322 O CYS A 24 1.706 0.796 -3.855 1.00 0.00 O ATOM 323 CB CYS A 24 -1.335 1.772 -4.498 1.00 0.00 C ATOM 324 SG CYS A 24 -2.773 0.774 -4.045 1.00 0.00 S ATOM 0 H CYS A 24 -1.865 0.054 -6.181 1.00 0.00 H new ATOM 0 HA CYS A 24 0.363 1.696 -5.813 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.907 2.204 -3.594 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.664 2.602 -5.123 1.00 0.00 H new ATOM 0 HG CYS A 24 -3.834 1.526 -4.024 1.00 0.00 H new ATOM 330 N PHE A 25 0.241 -0.911 -3.823 1.00 0.00 N ATOM 331 CA PHE A 25 1.011 -1.698 -2.865 1.00 0.00 C ATOM 332 C PHE A 25 2.435 -1.920 -3.365 1.00 0.00 C ATOM 333 O PHE A 25 2.672 -2.039 -4.568 1.00 0.00 O ATOM 334 CB PHE A 25 0.329 -3.044 -2.614 1.00 0.00 C ATOM 335 CG PHE A 25 1.120 -3.960 -1.725 1.00 0.00 C ATOM 336 CD1 PHE A 25 1.027 -3.859 -0.346 1.00 0.00 C ATOM 337 CD2 PHE A 25 1.959 -4.920 -2.266 1.00 0.00 C ATOM 338 CE1 PHE A 25 1.752 -4.700 0.476 1.00 0.00 C ATOM 339 CE2 PHE A 25 2.687 -5.764 -1.450 1.00 0.00 C ATOM 340 CZ PHE A 25 2.585 -5.654 -0.078 1.00 0.00 C ATOM 0 H PHE A 25 -0.625 -1.353 -4.132 1.00 0.00 H new ATOM 0 HA PHE A 25 1.057 -1.143 -1.928 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.648 -2.869 -2.164 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.156 -3.538 -3.570 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.380 -3.113 0.092 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.045 -5.010 -3.339 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.668 -4.612 1.549 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.336 -6.510 -1.885 1.00 0.00 H new ATOM 0 HZ PHE A 25 3.155 -6.312 0.561 1.00 0.00 H new ATOM 350 N LEU A 26 3.380 -1.977 -2.433 1.00 0.00 N ATOM 351 CA LEU A 26 4.782 -2.185 -2.778 1.00 0.00 C ATOM 352 C LEU A 26 5.528 -2.865 -1.634 1.00 0.00 C ATOM 353 O LEU A 26 5.153 -2.735 -0.468 1.00 0.00 O ATOM 354 CB LEU A 26 5.449 -0.851 -3.114 1.00 0.00 C ATOM 355 CG LEU A 26 4.782 0.398 -2.538 1.00 0.00 C ATOM 356 CD1 LEU A 26 4.945 0.440 -1.026 1.00 0.00 C ATOM 357 CD2 LEU A 26 5.359 1.653 -3.173 1.00 0.00 C ATOM 0 H LEU A 26 3.201 -1.882 -1.433 1.00 0.00 H new ATOM 0 HA LEU A 26 4.823 -2.835 -3.652 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.479 -0.884 -2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.488 -0.750 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 26 3.717 0.356 -2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.464 1.336 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.482 -0.443 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.005 0.458 -0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.872 2.532 -2.750 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.430 1.701 -2.975 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.190 1.627 -4.249 1.00 0.00 H new ATOM 369 N LYS A 27 6.589 -3.591 -1.974 1.00 0.00 N ATOM 370 CA LYS A 27 7.390 -4.289 -0.977 1.00 0.00 C ATOM 371 C LYS A 27 8.573 -3.432 -0.533 1.00 0.00 C ATOM 372 O LYS A 27 9.556 -3.289 -1.261 1.00 0.00 O ATOM 373 CB LYS A 27 7.895 -5.620 -1.538 1.00 0.00 C ATOM 374 CG LYS A 27 6.789 -6.633 -1.787 1.00 0.00 C ATOM 375 CD LYS A 27 6.116 -7.052 -0.491 1.00 0.00 C ATOM 376 CE LYS A 27 5.187 -8.238 -0.704 1.00 0.00 C ATOM 377 NZ LYS A 27 5.943 -9.508 -0.889 1.00 0.00 N ATOM 0 H LYS A 27 6.913 -3.711 -2.934 1.00 0.00 H new ATOM 0 HA LYS A 27 6.757 -4.483 -0.111 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.423 -5.434 -2.473 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.618 -6.047 -0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.047 -6.205 -2.462 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.203 -7.511 -2.284 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.875 -7.311 0.247 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.550 -6.213 -0.086 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.519 -8.334 0.152 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.561 -8.057 -1.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.282 -10.310 -0.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.444 -9.484 -1.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.632 -9.617 -0.118 1.00 0.00 H new ATOM 391 N VAL A 28 8.471 -2.867 0.666 1.00 0.00 N ATOM 392 CA VAL A 28 9.532 -2.029 1.208 1.00 0.00 C ATOM 393 C VAL A 28 9.566 -2.098 2.730 1.00 0.00 C ATOM 394 O VAL A 28 8.674 -2.673 3.355 1.00 0.00 O ATOM 395 CB VAL A 28 9.362 -0.560 0.776 1.00 0.00 C ATOM 396 CG1 VAL A 28 9.104 -0.470 -0.720 1.00 0.00 C ATOM 397 CG2 VAL A 28 8.239 0.100 1.560 1.00 0.00 C ATOM 0 H VAL A 28 7.664 -2.975 1.280 1.00 0.00 H new ATOM 0 HA VAL A 28 10.471 -2.412 0.810 1.00 0.00 H new ATOM 0 HB VAL A 28 10.287 -0.026 0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 28 8.987 0.575 -1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 28 9.946 -0.902 -1.261 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.195 -1.018 -0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.134 1.137 1.241 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.306 -0.433 1.377 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.472 0.069 2.624 1.00 0.00 H new ATOM 407 N SER A 29 10.599 -1.508 3.322 1.00 0.00 N ATOM 408 CA SER A 29 10.750 -1.505 4.773 1.00 0.00 C ATOM 409 C SER A 29 10.198 -0.215 5.375 1.00 0.00 C ATOM 410 O SER A 29 10.312 0.857 4.780 1.00 0.00 O ATOM 411 CB SER A 29 12.222 -1.671 5.153 1.00 0.00 C ATOM 412 OG SER A 29 12.772 -2.838 4.570 1.00 0.00 O ATOM 0 H SER A 29 11.344 -1.026 2.820 1.00 0.00 H new ATOM 0 HA SER A 29 10.182 -2.344 5.175 1.00 0.00 H new ATOM 0 HB2 SER A 29 12.786 -0.797 4.826 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.317 -1.724 6.238 1.00 0.00 H new ATOM 0 HG SER A 29 13.714 -2.919 4.827 1.00 0.00 H new ATOM 418 N ARG A 30 9.602 -0.329 6.557 1.00 0.00 N ATOM 419 CA ARG A 30 9.032 0.827 7.239 1.00 0.00 C ATOM 420 C ARG A 30 9.961 2.031 7.136 1.00 0.00 C ATOM 421 O ARG A 30 9.515 3.156 6.905 1.00 0.00 O ATOM 422 CB ARG A 30 8.766 0.497 8.709 1.00 0.00 C ATOM 423 CG ARG A 30 10.030 0.232 9.511 1.00 0.00 C ATOM 424 CD ARG A 30 9.718 0.005 10.982 1.00 0.00 C ATOM 425 NE ARG A 30 10.784 -0.729 11.659 1.00 0.00 N ATOM 426 CZ ARG A 30 10.775 -1.004 12.960 1.00 0.00 C ATOM 427 NH1 ARG A 30 9.762 -0.607 13.717 1.00 0.00 N ATOM 428 NH2 ARG A 30 11.781 -1.677 13.504 1.00 0.00 N ATOM 0 H ARG A 30 9.501 -1.209 7.062 1.00 0.00 H new ATOM 0 HA ARG A 30 8.089 1.076 6.753 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.222 1.324 9.166 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.120 -0.379 8.765 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.542 -0.641 9.107 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.711 1.077 9.408 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.570 0.966 11.474 1.00 0.00 H new ATOM 0 HD3 ARG A 30 8.783 -0.547 11.074 1.00 0.00 H new ATOM 0 HE ARG A 30 11.578 -1.048 11.104 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.987 -0.089 13.302 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.757 -0.819 14.715 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.562 -1.984 12.924 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.773 -1.887 14.502 1.00 0.00 H new ATOM 442 N LEU A 31 11.256 1.790 7.308 1.00 0.00 N ATOM 443 CA LEU A 31 12.250 2.856 7.235 1.00 0.00 C ATOM 444 C LEU A 31 12.087 3.665 5.953 1.00 0.00 C ATOM 445 O LEU A 31 11.889 4.879 5.995 1.00 0.00 O ATOM 446 CB LEU A 31 13.661 2.269 7.306 1.00 0.00 C ATOM 447 CG LEU A 31 13.990 1.462 8.562 1.00 0.00 C ATOM 448 CD1 LEU A 31 13.454 2.160 9.802 1.00 0.00 C ATOM 449 CD2 LEU A 31 13.421 0.053 8.454 1.00 0.00 C ATOM 0 H LEU A 31 11.643 0.866 7.499 1.00 0.00 H new ATOM 0 HA LEU A 31 12.097 3.522 8.084 1.00 0.00 H new ATOM 0 HB2 LEU A 31 13.810 1.628 6.437 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.377 3.087 7.226 1.00 0.00 H new ATOM 0 HG LEU A 31 15.074 1.391 8.651 1.00 0.00 H new ATOM 0 HD11 LEU A 31 13.698 1.570 10.686 1.00 0.00 H new ATOM 0 HD12 LEU A 31 13.907 3.148 9.888 1.00 0.00 H new ATOM 0 HD13 LEU A 31 12.372 2.263 9.722 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.664 -0.508 9.356 1.00 0.00 H new ATOM 0 HD22 LEU A 31 12.338 0.106 8.340 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.853 -0.448 7.588 1.00 0.00 H new ATOM 461 N GLU A 32 12.168 2.983 4.815 1.00 0.00 N ATOM 462 CA GLU A 32 12.029 3.641 3.520 1.00 0.00 C ATOM 463 C GLU A 32 10.612 4.179 3.333 1.00 0.00 C ATOM 464 O GLU A 32 10.410 5.383 3.185 1.00 0.00 O ATOM 465 CB GLU A 32 12.369 2.666 2.390 1.00 0.00 C ATOM 466 CG GLU A 32 13.853 2.366 2.271 1.00 0.00 C ATOM 467 CD GLU A 32 14.580 3.353 1.378 1.00 0.00 C ATOM 468 OE1 GLU A 32 14.210 3.462 0.191 1.00 0.00 O ATOM 469 OE2 GLU A 32 15.517 4.017 1.867 1.00 0.00 O ATOM 0 H GLU A 32 12.329 1.977 4.763 1.00 0.00 H new ATOM 0 HA GLU A 32 12.725 4.479 3.489 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.830 1.733 2.553 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.014 3.079 1.446 1.00 0.00 H new ATOM 0 HG2 GLU A 32 14.303 2.381 3.264 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.985 1.359 1.876 1.00 0.00 H new ATOM 476 N ALA A 33 9.637 3.276 3.341 1.00 0.00 N ATOM 477 CA ALA A 33 8.241 3.660 3.174 1.00 0.00 C ATOM 478 C ALA A 33 7.966 5.021 3.804 1.00 0.00 C ATOM 479 O ALA A 33 7.204 5.822 3.265 1.00 0.00 O ATOM 480 CB ALA A 33 7.327 2.602 3.776 1.00 0.00 C ATOM 0 H ALA A 33 9.788 2.274 3.461 1.00 0.00 H new ATOM 0 HA ALA A 33 8.036 3.736 2.106 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.287 2.902 3.644 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.496 1.648 3.276 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.542 2.497 4.839 1.00 0.00 H new ATOM 486 N GLN A 34 8.591 5.274 4.951 1.00 0.00 N ATOM 487 CA GLN A 34 8.411 6.537 5.654 1.00 0.00 C ATOM 488 C GLN A 34 8.958 7.700 4.833 1.00 0.00 C ATOM 489 O GLN A 34 8.288 8.719 4.657 1.00 0.00 O ATOM 490 CB GLN A 34 9.104 6.489 7.018 1.00 0.00 C ATOM 491 CG GLN A 34 8.473 7.404 8.054 1.00 0.00 C ATOM 492 CD GLN A 34 9.468 7.883 9.093 1.00 0.00 C ATOM 493 OE1 GLN A 34 10.576 7.357 9.197 1.00 0.00 O ATOM 494 NE2 GLN A 34 9.075 8.887 9.869 1.00 0.00 N ATOM 0 H GLN A 34 9.225 4.621 5.411 1.00 0.00 H new ATOM 0 HA GLN A 34 7.342 6.692 5.802 1.00 0.00 H new ATOM 0 HB2 GLN A 34 9.084 5.465 7.390 1.00 0.00 H new ATOM 0 HB3 GLN A 34 10.152 6.763 6.894 1.00 0.00 H new ATOM 0 HG2 GLN A 34 8.034 8.266 7.552 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.659 6.876 8.552 1.00 0.00 H new ATOM 0 HE21 GLN A 34 8.147 9.293 9.747 1.00 0.00 H new ATOM 0 HE22 GLN A 34 9.701 9.252 10.587 1.00 0.00 H new ATOM 503 N LEU A 35 10.179 7.543 4.334 1.00 0.00 N ATOM 504 CA LEU A 35 10.817 8.581 3.531 1.00 0.00 C ATOM 505 C LEU A 35 10.260 8.590 2.111 1.00 0.00 C ATOM 506 O LEU A 35 10.390 9.578 1.388 1.00 0.00 O ATOM 507 CB LEU A 35 12.331 8.368 3.497 1.00 0.00 C ATOM 508 CG LEU A 35 12.849 7.407 2.426 1.00 0.00 C ATOM 509 CD1 LEU A 35 12.859 8.079 1.063 1.00 0.00 C ATOM 510 CD2 LEU A 35 14.241 6.908 2.787 1.00 0.00 C ATOM 0 H LEU A 35 10.747 6.707 4.471 1.00 0.00 H new ATOM 0 HA LEU A 35 10.603 9.546 3.991 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.811 9.336 3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.648 7.999 4.472 1.00 0.00 H new ATOM 0 HG LEU A 35 12.177 6.550 2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 35 13.231 7.379 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.846 8.386 0.801 1.00 0.00 H new ATOM 0 HD13 LEU A 35 13.507 8.955 1.094 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.595 6.225 2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.923 7.755 2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 35 14.204 6.386 3.743 1.00 0.00 H new ATOM 522 N LEU A 36 9.639 7.483 1.718 1.00 0.00 N ATOM 523 CA LEU A 36 9.060 7.364 0.384 1.00 0.00 C ATOM 524 C LEU A 36 7.943 8.382 0.182 1.00 0.00 C ATOM 525 O LEU A 36 7.579 8.704 -0.950 1.00 0.00 O ATOM 526 CB LEU A 36 8.522 5.948 0.166 1.00 0.00 C ATOM 527 CG LEU A 36 9.521 4.926 -0.377 1.00 0.00 C ATOM 528 CD1 LEU A 36 9.007 3.511 -0.162 1.00 0.00 C ATOM 529 CD2 LEU A 36 9.794 5.178 -1.853 1.00 0.00 C ATOM 0 H LEU A 36 9.524 6.656 2.303 1.00 0.00 H new ATOM 0 HA LEU A 36 9.844 7.565 -0.346 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.134 5.578 1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.679 6.003 -0.523 1.00 0.00 H new ATOM 0 HG LEU A 36 10.458 5.037 0.169 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.731 2.797 -0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.864 3.334 0.904 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.057 3.386 -0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.507 4.441 -2.222 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.863 5.095 -2.414 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.207 6.178 -1.981 1.00 0.00 H new ATOM 541 N LEU A 37 7.403 8.887 1.286 1.00 0.00 N ATOM 542 CA LEU A 37 6.328 9.871 1.230 1.00 0.00 C ATOM 543 C LEU A 37 6.866 11.243 0.837 1.00 0.00 C ATOM 544 O LEU A 37 6.444 11.822 -0.163 1.00 0.00 O ATOM 545 CB LEU A 37 5.619 9.957 2.583 1.00 0.00 C ATOM 546 CG LEU A 37 5.237 8.624 3.227 1.00 0.00 C ATOM 547 CD1 LEU A 37 4.792 8.834 4.666 1.00 0.00 C ATOM 548 CD2 LEU A 37 4.142 7.937 2.424 1.00 0.00 C ATOM 0 H LEU A 37 7.692 8.631 2.230 1.00 0.00 H new ATOM 0 HA LEU A 37 5.614 9.551 0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.263 10.500 3.274 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.713 10.550 2.459 1.00 0.00 H new ATOM 0 HG LEU A 37 6.116 7.980 3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.524 7.874 5.108 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.606 9.282 5.237 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.927 9.497 4.686 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.883 6.990 2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.261 8.577 2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.497 7.751 1.410 1.00 0.00 H new ATOM 560 N GLU A 38 7.801 11.756 1.631 1.00 0.00 N ATOM 561 CA GLU A 38 8.397 13.060 1.364 1.00 0.00 C ATOM 562 C GLU A 38 9.022 13.097 -0.028 1.00 0.00 C ATOM 563 O GLU A 38 8.954 14.111 -0.723 1.00 0.00 O ATOM 564 CB GLU A 38 9.456 13.387 2.420 1.00 0.00 C ATOM 565 CG GLU A 38 10.831 12.830 2.094 1.00 0.00 C ATOM 566 CD GLU A 38 11.558 13.645 1.042 1.00 0.00 C ATOM 567 OE1 GLU A 38 11.005 14.676 0.604 1.00 0.00 O ATOM 568 OE2 GLU A 38 12.679 13.253 0.658 1.00 0.00 O ATOM 0 H GLU A 38 8.162 11.289 2.463 1.00 0.00 H new ATOM 0 HA GLU A 38 7.606 13.809 1.409 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.528 14.469 2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.132 12.992 3.383 1.00 0.00 H new ATOM 0 HG2 GLU A 38 11.431 12.800 3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.729 11.802 1.745 1.00 0.00 H new ATOM 575 N ARG A 39 9.630 11.986 -0.427 1.00 0.00 N ATOM 576 CA ARG A 39 10.269 11.892 -1.734 1.00 0.00 C ATOM 577 C ARG A 39 9.253 12.108 -2.852 1.00 0.00 C ATOM 578 O ARG A 39 9.425 12.985 -3.699 1.00 0.00 O ATOM 579 CB ARG A 39 10.943 10.528 -1.900 1.00 0.00 C ATOM 580 CG ARG A 39 12.370 10.488 -1.378 1.00 0.00 C ATOM 581 CD ARG A 39 13.124 9.279 -1.913 1.00 0.00 C ATOM 582 NE ARG A 39 14.476 9.192 -1.367 1.00 0.00 N ATOM 583 CZ ARG A 39 15.284 8.157 -1.568 1.00 0.00 C ATOM 584 NH1 ARG A 39 14.879 7.127 -2.297 1.00 0.00 N ATOM 585 NH2 ARG A 39 16.500 8.151 -1.038 1.00 0.00 N ATOM 0 H ARG A 39 9.694 11.138 0.136 1.00 0.00 H new ATOM 0 HA ARG A 39 11.026 12.674 -1.797 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.353 9.774 -1.379 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.943 10.258 -2.956 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.891 11.401 -1.668 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.360 10.459 -0.288 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.574 8.371 -1.666 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.175 9.336 -3.000 1.00 0.00 H new ATOM 0 HE ARG A 39 14.818 9.968 -0.801 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.944 7.127 -2.706 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.502 6.334 -2.449 1.00 0.00 H new ATOM 0 HH21 ARG A 39 16.815 8.941 -0.476 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.120 7.356 -1.193 1.00 0.00 H new ATOM 599 N TYR A 40 8.198 11.302 -2.849 1.00 0.00 N ATOM 600 CA TYR A 40 7.155 11.403 -3.865 1.00 0.00 C ATOM 601 C TYR A 40 5.821 11.796 -3.238 1.00 0.00 C ATOM 602 O TYR A 40 4.934 10.967 -3.033 1.00 0.00 O ATOM 603 CB TYR A 40 7.010 10.075 -4.610 1.00 0.00 C ATOM 604 CG TYR A 40 8.313 9.551 -5.172 1.00 0.00 C ATOM 605 CD1 TYR A 40 9.215 8.867 -4.366 1.00 0.00 C ATOM 606 CD2 TYR A 40 8.641 9.740 -6.509 1.00 0.00 C ATOM 607 CE1 TYR A 40 10.406 8.387 -4.876 1.00 0.00 C ATOM 608 CE2 TYR A 40 9.829 9.263 -7.028 1.00 0.00 C ATOM 609 CZ TYR A 40 10.708 8.587 -6.207 1.00 0.00 C ATOM 610 OH TYR A 40 11.892 8.111 -6.719 1.00 0.00 O ATOM 0 H TYR A 40 8.041 10.571 -2.155 1.00 0.00 H new ATOM 0 HA TYR A 40 7.446 12.179 -4.573 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.591 9.331 -3.932 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.297 10.201 -5.425 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.981 8.708 -3.324 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.955 10.269 -7.154 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.097 7.858 -4.236 1.00 0.00 H new ATOM 0 HE2 TYR A 40 10.068 9.418 -8.070 1.00 0.00 H new ATOM 0 HH TYR A 40 11.950 8.335 -7.671 1.00 0.00 H new ATOM 620 N PRO A 41 5.674 13.093 -2.928 1.00 0.00 N ATOM 621 CA PRO A 41 4.451 13.627 -2.322 1.00 0.00 C ATOM 622 C PRO A 41 3.275 13.626 -3.292 1.00 0.00 C ATOM 623 O PRO A 41 2.190 13.145 -2.965 1.00 0.00 O ATOM 624 CB PRO A 41 4.836 15.062 -1.952 1.00 0.00 C ATOM 625 CG PRO A 41 5.937 15.414 -2.893 1.00 0.00 C ATOM 626 CD PRO A 41 6.690 14.136 -3.145 1.00 0.00 C ATOM 0 HA PRO A 41 4.121 13.027 -1.474 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.989 15.740 -2.062 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.165 15.129 -0.915 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.540 15.823 -3.822 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.590 16.174 -2.463 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.093 14.100 -4.157 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.532 14.025 -2.462 1.00 0.00 H new ATOM 634 N GLU A 42 3.498 14.166 -4.487 1.00 0.00 N ATOM 635 CA GLU A 42 2.454 14.226 -5.503 1.00 0.00 C ATOM 636 C GLU A 42 1.818 12.854 -5.712 1.00 0.00 C ATOM 637 O GLU A 42 0.649 12.751 -6.086 1.00 0.00 O ATOM 638 CB GLU A 42 3.028 14.740 -6.825 1.00 0.00 C ATOM 639 CG GLU A 42 4.044 13.801 -7.454 1.00 0.00 C ATOM 640 CD GLU A 42 4.455 14.234 -8.848 1.00 0.00 C ATOM 641 OE1 GLU A 42 5.410 15.030 -8.965 1.00 0.00 O ATOM 642 OE2 GLU A 42 3.820 13.776 -9.821 1.00 0.00 O ATOM 0 H GLU A 42 4.391 14.567 -4.774 1.00 0.00 H new ATOM 0 HA GLU A 42 1.684 14.915 -5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.211 14.901 -7.528 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.498 15.709 -6.655 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.928 13.750 -6.818 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.625 12.796 -7.499 1.00 0.00 H new ATOM 649 N CYS A 43 2.596 11.805 -5.469 1.00 0.00 N ATOM 650 CA CYS A 43 2.110 10.440 -5.630 1.00 0.00 C ATOM 651 C CYS A 43 1.373 9.973 -4.380 1.00 0.00 C ATOM 652 O CYS A 43 1.450 8.805 -4.001 1.00 0.00 O ATOM 653 CB CYS A 43 3.273 9.495 -5.934 1.00 0.00 C ATOM 654 SG CYS A 43 3.672 9.355 -7.692 1.00 0.00 S ATOM 0 H CYS A 43 3.566 11.874 -5.160 1.00 0.00 H new ATOM 0 HA CYS A 43 1.412 10.426 -6.467 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.157 9.841 -5.398 1.00 0.00 H new ATOM 0 HB3 CYS A 43 3.033 8.505 -5.547 1.00 0.00 H new ATOM 0 HG CYS A 43 4.669 8.536 -7.847 1.00 0.00 H new ATOM 660 N GLY A 44 0.658 10.895 -3.741 1.00 0.00 N ATOM 661 CA GLY A 44 -0.082 10.559 -2.539 1.00 0.00 C ATOM 662 C GLY A 44 0.825 10.157 -1.394 1.00 0.00 C ATOM 663 O GLY A 44 2.049 10.209 -1.514 1.00 0.00 O ATOM 0 H GLY A 44 0.578 11.869 -4.035 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.686 11.414 -2.237 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.771 9.743 -2.756 1.00 0.00 H new ATOM 667 N ASN A 45 0.226 9.755 -0.278 1.00 0.00 N ATOM 668 CA ASN A 45 0.988 9.345 0.896 1.00 0.00 C ATOM 669 C ASN A 45 0.520 7.983 1.400 1.00 0.00 C ATOM 670 O ASN A 45 1.297 7.222 1.978 1.00 0.00 O ATOM 671 CB ASN A 45 0.854 10.387 2.007 1.00 0.00 C ATOM 672 CG ASN A 45 -0.568 10.891 2.158 1.00 0.00 C ATOM 673 OD1 ASN A 45 -0.970 11.854 1.506 1.00 0.00 O ATOM 674 ND2 ASN A 45 -1.337 10.239 3.023 1.00 0.00 N ATOM 0 H ASN A 45 -0.786 9.704 -0.162 1.00 0.00 H new ATOM 0 HA ASN A 45 2.036 9.265 0.608 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.185 9.953 2.950 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.514 11.228 1.794 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.303 10.532 3.168 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.961 9.445 3.542 1.00 0.00 H new ATOM 681 N LEU A 46 -0.754 7.682 1.177 1.00 0.00 N ATOM 682 CA LEU A 46 -1.327 6.412 1.608 1.00 0.00 C ATOM 683 C LEU A 46 -0.671 5.244 0.880 1.00 0.00 C ATOM 684 O LEU A 46 -1.030 4.924 -0.254 1.00 0.00 O ATOM 685 CB LEU A 46 -2.837 6.400 1.359 1.00 0.00 C ATOM 686 CG LEU A 46 -3.503 5.024 1.338 1.00 0.00 C ATOM 687 CD1 LEU A 46 -3.663 4.487 2.752 1.00 0.00 C ATOM 688 CD2 LEU A 46 -4.852 5.094 0.637 1.00 0.00 C ATOM 0 H LEU A 46 -1.410 8.300 0.700 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.140 6.301 2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.317 7.002 2.131 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.032 6.890 0.405 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.862 4.340 0.781 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.139 3.507 2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.683 4.398 3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.282 5.171 3.333 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.311 4.105 0.632 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.501 5.793 1.165 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.712 5.434 -0.389 1.00 0.00 H new ATOM 700 N LEU A 47 0.291 4.607 1.539 1.00 0.00 N ATOM 701 CA LEU A 47 0.996 3.472 0.957 1.00 0.00 C ATOM 702 C LEU A 47 0.889 2.243 1.855 1.00 0.00 C ATOM 703 O LEU A 47 0.718 2.363 3.069 1.00 0.00 O ATOM 704 CB LEU A 47 2.467 3.823 0.728 1.00 0.00 C ATOM 705 CG LEU A 47 3.417 3.529 1.891 1.00 0.00 C ATOM 706 CD1 LEU A 47 3.916 2.095 1.822 1.00 0.00 C ATOM 707 CD2 LEU A 47 4.585 4.504 1.885 1.00 0.00 C ATOM 0 H LEU A 47 0.600 4.858 2.478 1.00 0.00 H new ATOM 0 HA LEU A 47 0.530 3.240 -0.001 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.818 3.278 -0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.534 4.885 0.490 1.00 0.00 H new ATOM 0 HG LEU A 47 2.869 3.656 2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.590 1.904 2.657 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.068 1.412 1.876 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.448 1.940 0.883 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.250 4.280 2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.133 4.409 0.948 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.209 5.522 1.984 1.00 0.00 H new ATOM 719 N LEU A 48 0.992 1.065 1.252 1.00 0.00 N ATOM 720 CA LEU A 48 0.909 -0.186 1.998 1.00 0.00 C ATOM 721 C LEU A 48 2.226 -0.951 1.927 1.00 0.00 C ATOM 722 O LEU A 48 2.720 -1.257 0.842 1.00 0.00 O ATOM 723 CB LEU A 48 -0.228 -1.053 1.452 1.00 0.00 C ATOM 724 CG LEU A 48 -1.641 -0.650 1.875 1.00 0.00 C ATOM 725 CD1 LEU A 48 -2.088 0.593 1.123 1.00 0.00 C ATOM 726 CD2 LEU A 48 -2.614 -1.797 1.641 1.00 0.00 C ATOM 0 H LEU A 48 1.133 0.949 0.248 1.00 0.00 H new ATOM 0 HA LEU A 48 0.706 0.054 3.042 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.178 -1.039 0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.056 -2.083 1.766 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.630 -0.420 2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.096 0.865 1.437 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.406 1.415 1.340 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.083 0.391 0.052 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.615 -1.493 1.947 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.622 -2.057 0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -2.303 -2.663 2.225 1.00 0.00 H new ATOM 738 N ARG A 49 2.789 -1.258 3.091 1.00 0.00 N ATOM 739 CA ARG A 49 4.049 -1.989 3.162 1.00 0.00 C ATOM 740 C ARG A 49 3.890 -3.271 3.973 1.00 0.00 C ATOM 741 O ARG A 49 3.105 -3.342 4.919 1.00 0.00 O ATOM 742 CB ARG A 49 5.138 -1.111 3.782 1.00 0.00 C ATOM 743 CG ARG A 49 4.809 -0.635 5.188 1.00 0.00 C ATOM 744 CD ARG A 49 6.016 0.004 5.856 1.00 0.00 C ATOM 745 NE ARG A 49 5.975 -0.136 7.309 1.00 0.00 N ATOM 746 CZ ARG A 49 6.001 -1.307 7.936 1.00 0.00 C ATOM 747 NH1 ARG A 49 6.070 -2.433 7.241 1.00 0.00 N ATOM 748 NH2 ARG A 49 5.961 -1.352 9.263 1.00 0.00 N ATOM 0 H ARG A 49 2.393 -1.012 3.998 1.00 0.00 H new ATOM 0 HA ARG A 49 4.342 -2.257 2.147 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.074 -1.670 3.806 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.301 -0.243 3.143 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.991 0.084 5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.464 -1.478 5.787 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.928 -0.455 5.473 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.057 1.061 5.595 1.00 0.00 H new ATOM 0 HE ARG A 49 5.924 0.712 7.874 1.00 0.00 H new ATOM 0 HH11 ARG A 49 6.103 -2.402 6.222 1.00 0.00 H new ATOM 0 HH12 ARG A 49 6.090 -3.331 7.725 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.910 -0.487 9.801 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.981 -2.251 9.744 1.00 0.00 H new ATOM 762 N PRO A 50 4.651 -4.309 3.596 1.00 0.00 N ATOM 763 CA PRO A 50 4.612 -5.607 4.275 1.00 0.00 C ATOM 764 C PRO A 50 5.215 -5.547 5.675 1.00 0.00 C ATOM 765 O PRO A 50 6.343 -5.088 5.855 1.00 0.00 O ATOM 766 CB PRO A 50 5.455 -6.508 3.368 1.00 0.00 C ATOM 767 CG PRO A 50 6.374 -5.576 2.659 1.00 0.00 C ATOM 768 CD PRO A 50 5.609 -4.295 2.477 1.00 0.00 C ATOM 0 HA PRO A 50 3.591 -5.961 4.420 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.009 -7.246 3.948 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.830 -7.059 2.665 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.282 -5.409 3.238 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.680 -5.987 1.697 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.265 -3.425 2.520 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.101 -4.264 1.513 1.00 0.00 H new ATOM 776 N SER A 51 4.458 -6.015 6.661 1.00 0.00 N ATOM 777 CA SER A 51 4.917 -6.012 8.045 1.00 0.00 C ATOM 778 C SER A 51 5.525 -7.360 8.419 1.00 0.00 C ATOM 779 O SER A 51 5.409 -8.334 7.677 1.00 0.00 O ATOM 780 CB SER A 51 3.758 -5.684 8.988 1.00 0.00 C ATOM 781 OG SER A 51 2.735 -6.660 8.898 1.00 0.00 O ATOM 0 H SER A 51 3.523 -6.401 6.528 1.00 0.00 H new ATOM 0 HA SER A 51 5.686 -5.246 8.145 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.124 -5.630 10.013 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.352 -4.703 8.742 1.00 0.00 H new ATOM 0 HG SER A 51 2.007 -6.428 9.512 1.00 0.00 H new ATOM 835 N GLY A 57 0.248 -9.949 8.059 1.00 0.00 N ATOM 836 CA GLY A 57 -0.597 -9.130 7.210 1.00 0.00 C ATOM 837 C GLY A 57 0.179 -8.035 6.504 1.00 0.00 C ATOM 838 O GLY A 57 1.258 -8.279 5.964 1.00 0.00 O ATOM 0 HA2 GLY A 57 -1.084 -9.763 6.468 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -1.386 -8.681 7.813 1.00 0.00 H new ATOM 842 N VAL A 58 -0.372 -6.826 6.507 1.00 0.00 N ATOM 843 CA VAL A 58 0.275 -5.690 5.860 1.00 0.00 C ATOM 844 C VAL A 58 0.015 -4.399 6.629 1.00 0.00 C ATOM 845 O VAL A 58 -1.074 -4.194 7.166 1.00 0.00 O ATOM 846 CB VAL A 58 -0.211 -5.517 4.410 1.00 0.00 C ATOM 847 CG1 VAL A 58 -1.732 -5.517 4.352 1.00 0.00 C ATOM 848 CG2 VAL A 58 0.353 -4.240 3.806 1.00 0.00 C ATOM 0 H VAL A 58 -1.264 -6.607 6.950 1.00 0.00 H new ATOM 0 HA VAL A 58 1.345 -5.897 5.853 1.00 0.00 H new ATOM 0 HB VAL A 58 0.152 -6.360 3.822 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.057 -5.394 3.319 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.111 -6.462 4.741 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.119 -4.695 4.955 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.002 -4.135 2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.023 -3.383 4.394 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.442 -4.286 3.810 1.00 0.00 H new ATOM 858 N SER A 59 1.019 -3.531 6.676 1.00 0.00 N ATOM 859 CA SER A 59 0.900 -2.260 7.382 1.00 0.00 C ATOM 860 C SER A 59 0.520 -1.139 6.421 1.00 0.00 C ATOM 861 O SER A 59 0.788 -1.216 5.221 1.00 0.00 O ATOM 862 CB SER A 59 2.215 -1.920 8.087 1.00 0.00 C ATOM 863 OG SER A 59 2.270 -2.508 9.375 1.00 0.00 O ATOM 0 H SER A 59 1.925 -3.684 6.233 1.00 0.00 H new ATOM 0 HA SER A 59 0.111 -2.358 8.128 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.054 -2.272 7.487 1.00 0.00 H new ATOM 0 HB3 SER A 59 2.316 -0.838 8.173 1.00 0.00 H new ATOM 0 HG SER A 59 3.120 -2.277 9.804 1.00 0.00 H new ATOM 869 N VAL A 60 -0.106 -0.096 6.956 1.00 0.00 N ATOM 870 CA VAL A 60 -0.523 1.043 6.147 1.00 0.00 C ATOM 871 C VAL A 60 0.073 2.341 6.678 1.00 0.00 C ATOM 872 O VAL A 60 -0.324 2.835 7.736 1.00 0.00 O ATOM 873 CB VAL A 60 -2.058 1.173 6.110 1.00 0.00 C ATOM 874 CG1 VAL A 60 -2.480 2.230 5.101 1.00 0.00 C ATOM 875 CG2 VAL A 60 -2.698 -0.169 5.788 1.00 0.00 C ATOM 0 H VAL A 60 -0.336 -0.016 7.947 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.156 0.865 5.136 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.403 1.487 7.095 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.567 2.308 5.089 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.050 3.192 5.381 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.125 1.949 4.109 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.782 -0.059 5.766 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.348 -0.515 4.815 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.423 -0.896 6.552 1.00 0.00 H new ATOM 885 N THR A 61 1.028 2.894 5.938 1.00 0.00 N ATOM 886 CA THR A 61 1.681 4.135 6.334 1.00 0.00 C ATOM 887 C THR A 61 0.940 5.347 5.780 1.00 0.00 C ATOM 888 O THR A 61 0.912 5.571 4.569 1.00 0.00 O ATOM 889 CB THR A 61 3.145 4.179 5.854 1.00 0.00 C ATOM 890 OG1 THR A 61 3.807 2.955 6.191 1.00 0.00 O ATOM 891 CG2 THR A 61 3.884 5.352 6.481 1.00 0.00 C ATOM 0 H THR A 61 1.367 2.501 5.060 1.00 0.00 H new ATOM 0 HA THR A 61 1.663 4.168 7.423 1.00 0.00 H new ATOM 0 HB THR A 61 3.147 4.306 4.771 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.736 2.990 5.881 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.915 5.363 6.128 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.394 6.284 6.199 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.873 5.251 7.566 1.00 0.00 H new ATOM 899 N THR A 62 0.341 6.128 6.673 1.00 0.00 N ATOM 900 CA THR A 62 -0.401 7.317 6.274 1.00 0.00 C ATOM 901 C THR A 62 0.152 8.564 6.954 1.00 0.00 C ATOM 902 O THR A 62 0.143 8.669 8.181 1.00 0.00 O ATOM 903 CB THR A 62 -1.899 7.184 6.609 1.00 0.00 C ATOM 904 OG1 THR A 62 -2.080 7.125 8.029 1.00 0.00 O ATOM 905 CG2 THR A 62 -2.488 5.938 5.965 1.00 0.00 C ATOM 0 H THR A 62 0.355 5.958 7.679 1.00 0.00 H new ATOM 0 HA THR A 62 -0.286 7.414 5.194 1.00 0.00 H new ATOM 0 HB THR A 62 -2.417 8.058 6.213 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.408 7.687 8.468 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.546 5.865 6.215 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.374 5.999 4.883 1.00 0.00 H new ATOM 0 HG23 THR A 62 -1.966 5.056 6.335 1.00 0.00 H new ATOM 913 N ARG A 63 0.630 9.508 6.150 1.00 0.00 N ATOM 914 CA ARG A 63 1.187 10.749 6.676 1.00 0.00 C ATOM 915 C ARG A 63 0.260 11.926 6.387 1.00 0.00 C ATOM 916 O ARG A 63 0.349 12.553 5.332 1.00 0.00 O ATOM 917 CB ARG A 63 2.567 11.011 6.068 1.00 0.00 C ATOM 918 CG ARG A 63 3.135 12.378 6.415 1.00 0.00 C ATOM 919 CD ARG A 63 4.059 12.890 5.323 1.00 0.00 C ATOM 920 NE ARG A 63 3.335 13.640 4.300 1.00 0.00 N ATOM 921 CZ ARG A 63 2.693 14.779 4.541 1.00 0.00 C ATOM 922 NH1 ARG A 63 2.686 15.294 5.763 1.00 0.00 N ATOM 923 NH2 ARG A 63 2.057 15.404 3.558 1.00 0.00 N ATOM 0 H ARG A 63 0.643 9.437 5.133 1.00 0.00 H new ATOM 0 HA ARG A 63 1.287 10.644 7.756 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.258 10.242 6.412 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.501 10.919 4.984 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.319 13.085 6.564 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.681 12.318 7.357 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.825 13.527 5.765 1.00 0.00 H new ATOM 0 HD3 ARG A 63 4.573 12.048 4.859 1.00 0.00 H new ATOM 0 HE ARG A 63 3.321 13.270 3.350 1.00 0.00 H new ATOM 0 HH11 ARG A 63 3.174 14.816 6.521 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.193 16.168 5.945 1.00 0.00 H new ATOM 0 HH21 ARG A 63 2.061 15.011 2.617 1.00 0.00 H new ATOM 0 HH22 ARG A 63 1.565 16.278 3.744 1.00 0.00 H new ATOM 937 N GLN A 64 -0.628 12.219 7.332 1.00 0.00 N ATOM 938 CA GLN A 64 -1.571 13.320 7.178 1.00 0.00 C ATOM 939 C GLN A 64 -0.925 14.648 7.556 1.00 0.00 C ATOM 940 O GLN A 64 0.262 14.702 7.877 1.00 0.00 O ATOM 941 CB GLN A 64 -2.812 13.080 8.039 1.00 0.00 C ATOM 942 CG GLN A 64 -3.342 11.657 7.961 1.00 0.00 C ATOM 943 CD GLN A 64 -4.319 11.335 9.075 1.00 0.00 C ATOM 944 OE1 GLN A 64 -4.657 12.197 9.888 1.00 0.00 O ATOM 945 NE2 GLN A 64 -4.778 10.090 9.119 1.00 0.00 N ATOM 0 H GLN A 64 -0.714 11.710 8.211 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.867 13.367 6.130 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.575 13.314 9.077 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.598 13.769 7.729 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.832 11.508 6.999 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.506 10.959 8.004 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -4.471 9.408 8.425 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -5.438 9.815 9.847 1.00 0.00 H new ATOM 954 N MET A 65 -1.712 15.717 7.514 1.00 0.00 N ATOM 955 CA MET A 65 -1.215 17.046 7.853 1.00 0.00 C ATOM 956 C MET A 65 -2.118 17.717 8.885 1.00 0.00 C ATOM 957 O MET A 65 -3.216 18.171 8.561 1.00 0.00 O ATOM 958 CB MET A 65 -1.123 17.915 6.597 1.00 0.00 C ATOM 959 CG MET A 65 -0.336 19.199 6.803 1.00 0.00 C ATOM 960 SD MET A 65 1.338 18.899 7.401 1.00 0.00 S ATOM 961 CE MET A 65 1.754 20.509 8.067 1.00 0.00 C ATOM 0 H MET A 65 -2.697 15.690 7.249 1.00 0.00 H new ATOM 0 HA MET A 65 -0.220 16.936 8.284 1.00 0.00 H new ATOM 0 HB2 MET A 65 -0.657 17.337 5.799 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.130 18.165 6.264 1.00 0.00 H new ATOM 0 HG2 MET A 65 -0.289 19.747 5.862 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.864 19.834 7.515 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.764 20.484 8.476 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.702 21.255 7.274 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.049 20.769 8.857 1.00 0.00 H new ATOM 971 N HIS A 66 -1.648 17.775 10.127 1.00 0.00 N ATOM 972 CA HIS A 66 -2.413 18.391 11.205 1.00 0.00 C ATOM 973 C HIS A 66 -1.825 19.748 11.581 1.00 0.00 C ATOM 974 O HIS A 66 -0.905 20.239 10.929 1.00 0.00 O ATOM 975 CB HIS A 66 -2.437 17.475 12.429 1.00 0.00 C ATOM 976 CG HIS A 66 -3.658 17.644 13.280 1.00 0.00 C ATOM 977 ND1 HIS A 66 -3.709 17.269 14.605 1.00 0.00 N ATOM 978 CD2 HIS A 66 -4.877 18.154 12.987 1.00 0.00 C ATOM 979 CE1 HIS A 66 -4.908 17.539 15.091 1.00 0.00 C ATOM 980 NE2 HIS A 66 -5.636 18.078 14.129 1.00 0.00 N ATOM 0 H HIS A 66 -0.742 17.403 10.412 1.00 0.00 H new ATOM 0 HA HIS A 66 -3.434 18.542 10.854 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -2.376 16.438 12.098 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -1.552 17.669 13.035 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -5.194 18.548 12.033 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -5.237 17.351 16.102 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -6.604 18.387 14.220 1.00 0.00 H new ATOM 989 N ASN A 67 -2.364 20.348 12.638 1.00 0.00 N ATOM 990 CA ASN A 67 -1.894 21.650 13.100 1.00 0.00 C ATOM 991 C ASN A 67 -0.396 21.803 12.858 1.00 0.00 C ATOM 992 O ASN A 67 0.422 21.410 13.689 1.00 0.00 O ATOM 993 CB ASN A 67 -2.203 21.827 14.588 1.00 0.00 C ATOM 994 CG ASN A 67 -2.223 20.508 15.335 1.00 0.00 C ATOM 995 OD1 ASN A 67 -3.253 19.837 15.406 1.00 0.00 O ATOM 996 ND2 ASN A 67 -1.082 20.129 15.899 1.00 0.00 N ATOM 0 H ASN A 67 -3.126 19.954 13.190 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.416 22.421 12.533 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.457 22.484 15.036 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -3.169 22.319 14.700 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -1.036 19.251 16.416 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.252 20.716 15.815 1.00 0.00 H new ATOM 1003 N GLY A 68 -0.043 22.381 11.713 1.00 0.00 N ATOM 1004 CA GLY A 68 1.356 22.577 11.382 1.00 0.00 C ATOM 1005 C GLY A 68 2.234 21.446 11.876 1.00 0.00 C ATOM 1006 O GLY A 68 3.383 21.662 12.261 1.00 0.00 O ATOM 0 H GLY A 68 -0.701 22.717 11.010 1.00 0.00 H new ATOM 0 HA2 GLY A 68 1.461 22.668 10.301 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.700 23.516 11.816 1.00 0.00 H new ATOM 1010 N THR A 69 1.691 20.231 11.869 1.00 0.00 N ATOM 1011 CA THR A 69 2.431 19.060 12.322 1.00 0.00 C ATOM 1012 C THR A 69 2.159 17.857 11.428 1.00 0.00 C ATOM 1013 O THR A 69 1.007 17.548 11.119 1.00 0.00 O ATOM 1014 CB THR A 69 2.072 18.697 13.775 1.00 0.00 C ATOM 1015 OG1 THR A 69 2.894 17.614 14.228 1.00 0.00 O ATOM 1016 CG2 THR A 69 0.606 18.309 13.889 1.00 0.00 C ATOM 0 H THR A 69 0.741 20.034 11.554 1.00 0.00 H new ATOM 0 HA THR A 69 3.489 19.315 12.269 1.00 0.00 H new ATOM 0 HB THR A 69 2.250 19.573 14.399 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.660 17.391 15.153 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.376 18.057 14.924 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.017 19.145 13.572 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.407 17.447 13.253 1.00 0.00 H new ATOM 1024 N HIS A 70 3.226 17.180 11.013 1.00 0.00 N ATOM 1025 CA HIS A 70 3.100 16.008 10.154 1.00 0.00 C ATOM 1026 C HIS A 70 3.142 14.724 10.977 1.00 0.00 C ATOM 1027 O HIS A 70 4.195 14.333 11.484 1.00 0.00 O ATOM 1028 CB HIS A 70 4.215 15.994 9.108 1.00 0.00 C ATOM 1029 CG HIS A 70 5.588 16.118 9.695 1.00 0.00 C ATOM 1030 ND1 HIS A 70 6.219 17.175 10.258 1.00 0.00 N flip ATOM 1031 CD2 HIS A 70 6.482 15.069 9.744 1.00 0.00 C flip ATOM 1032 CE1 HIS A 70 7.469 16.750 10.634 1.00 0.00 C flip ATOM 1033 NE2 HIS A 70 7.603 15.476 10.313 1.00 0.00 N flip ATOM 0 H HIS A 70 4.186 17.423 11.258 1.00 0.00 H new ATOM 0 HA HIS A 70 2.137 16.062 9.647 1.00 0.00 H new ATOM 0 HB2 HIS A 70 4.155 15.067 8.537 1.00 0.00 H new ATOM 0 HB3 HIS A 70 4.054 16.812 8.406 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.295 14.071 9.375 1.00 0.00 H new ATOM 0 HE1 HIS A 70 8.221 17.359 11.114 1.00 0.00 H new ATOM 0 HE2 HIS A 70 8.431 14.903 10.477 1.00 0.00 H new ATOM 1042 N VAL A 71 1.992 14.071 11.107 1.00 0.00 N ATOM 1043 CA VAL A 71 1.898 12.831 11.867 1.00 0.00 C ATOM 1044 C VAL A 71 1.983 11.616 10.950 1.00 0.00 C ATOM 1045 O VAL A 71 1.493 11.642 9.821 1.00 0.00 O ATOM 1046 CB VAL A 71 0.586 12.764 12.671 1.00 0.00 C ATOM 1047 CG1 VAL A 71 -0.599 12.540 11.743 1.00 0.00 C ATOM 1048 CG2 VAL A 71 0.662 11.669 13.724 1.00 0.00 C ATOM 0 H VAL A 71 1.112 14.381 10.695 1.00 0.00 H new ATOM 0 HA VAL A 71 2.740 12.819 12.559 1.00 0.00 H new ATOM 0 HB VAL A 71 0.444 13.717 13.180 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.517 12.495 12.329 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.663 13.362 11.030 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -0.467 11.602 11.204 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.273 11.636 14.283 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.829 10.708 13.238 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.485 11.878 14.407 1.00 0.00 H new ATOM 1058 N VAL A 72 2.606 10.551 11.444 1.00 0.00 N ATOM 1059 CA VAL A 72 2.753 9.323 10.670 1.00 0.00 C ATOM 1060 C VAL A 72 2.183 8.127 11.424 1.00 0.00 C ATOM 1061 O VAL A 72 2.853 7.537 12.271 1.00 0.00 O ATOM 1062 CB VAL A 72 4.230 9.047 10.333 1.00 0.00 C ATOM 1063 CG1 VAL A 72 4.364 7.757 9.537 1.00 0.00 C ATOM 1064 CG2 VAL A 72 4.830 10.219 9.569 1.00 0.00 C ATOM 0 H VAL A 72 3.017 10.513 12.377 1.00 0.00 H new ATOM 0 HA VAL A 72 2.196 9.463 9.743 1.00 0.00 H new ATOM 0 HB VAL A 72 4.782 8.930 11.266 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.415 7.578 9.308 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.974 6.925 10.124 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.800 7.842 8.608 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.874 10.007 9.339 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.278 10.370 8.642 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.769 11.120 10.179 1.00 0.00 H new ATOM 1074 N ARG A 73 0.942 7.773 11.107 1.00 0.00 N ATOM 1075 CA ARG A 73 0.279 6.647 11.754 1.00 0.00 C ATOM 1076 C ARG A 73 0.393 5.386 10.901 1.00 0.00 C ATOM 1077 O ARG A 73 0.530 5.461 9.680 1.00 0.00 O ATOM 1078 CB ARG A 73 -1.193 6.971 12.010 1.00 0.00 C ATOM 1079 CG ARG A 73 -1.437 7.694 13.325 1.00 0.00 C ATOM 1080 CD ARG A 73 -2.855 8.238 13.406 1.00 0.00 C ATOM 1081 NE ARG A 73 -3.080 9.001 14.631 1.00 0.00 N ATOM 1082 CZ ARG A 73 -3.329 8.440 15.810 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -3.384 7.121 15.921 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -3.522 9.200 16.880 1.00 0.00 N ATOM 0 H ARG A 73 0.375 8.250 10.406 1.00 0.00 H new ATOM 0 HA ARG A 73 0.774 6.466 12.708 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -1.569 7.586 11.192 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.767 6.044 12.002 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.260 7.011 14.156 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.725 8.513 13.429 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.049 8.874 12.542 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.564 7.411 13.359 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.044 10.019 14.579 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.235 6.534 15.101 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.575 6.693 16.827 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.479 10.216 16.798 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.713 8.769 17.784 1.00 0.00 H new ATOM 1098 N HIS A 74 0.337 4.229 11.553 1.00 0.00 N ATOM 1099 CA HIS A 74 0.432 2.952 10.855 1.00 0.00 C ATOM 1100 C HIS A 74 -0.726 2.036 11.237 1.00 0.00 C ATOM 1101 O HIS A 74 -0.915 1.715 12.411 1.00 0.00 O ATOM 1102 CB HIS A 74 1.764 2.272 11.173 1.00 0.00 C ATOM 1103 CG HIS A 74 2.084 2.237 12.636 1.00 0.00 C ATOM 1104 ND1 HIS A 74 1.848 1.137 13.432 1.00 0.00 N ATOM 1105 CD2 HIS A 74 2.627 3.177 13.447 1.00 0.00 C ATOM 1106 CE1 HIS A 74 2.230 1.400 14.670 1.00 0.00 C ATOM 1107 NE2 HIS A 74 2.706 2.632 14.704 1.00 0.00 N ATOM 0 H HIS A 74 0.226 4.150 12.564 1.00 0.00 H new ATOM 0 HA HIS A 74 0.379 3.146 9.784 1.00 0.00 H new ATOM 0 HB2 HIS A 74 1.742 1.252 10.790 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.564 2.793 10.647 1.00 0.00 H new ATOM 0 HD2 HIS A 74 2.939 4.170 13.158 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.164 0.724 15.510 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.073 3.102 15.531 1.00 0.00 H new ATOM 1116 N TYR A 75 -1.496 1.618 10.239 1.00 0.00 N ATOM 1117 CA TYR A 75 -2.637 0.740 10.472 1.00 0.00 C ATOM 1118 C TYR A 75 -2.355 -0.668 9.959 1.00 0.00 C ATOM 1119 O TYR A 75 -2.074 -0.867 8.776 1.00 0.00 O ATOM 1120 CB TYR A 75 -3.887 1.303 9.791 1.00 0.00 C ATOM 1121 CG TYR A 75 -4.195 2.732 10.177 1.00 0.00 C ATOM 1122 CD1 TYR A 75 -4.574 3.055 11.474 1.00 0.00 C ATOM 1123 CD2 TYR A 75 -4.109 3.758 9.244 1.00 0.00 C ATOM 1124 CE1 TYR A 75 -4.858 4.359 11.831 1.00 0.00 C ATOM 1125 CE2 TYR A 75 -4.389 5.065 9.593 1.00 0.00 C ATOM 1126 CZ TYR A 75 -4.763 5.361 10.887 1.00 0.00 C ATOM 1127 OH TYR A 75 -5.045 6.662 11.238 1.00 0.00 O ATOM 0 H TYR A 75 -1.351 1.872 9.262 1.00 0.00 H new ATOM 0 HA TYR A 75 -2.809 0.687 11.547 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -3.758 1.247 8.710 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -4.742 0.675 10.043 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -4.648 2.273 12.216 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.818 3.530 8.229 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -5.153 4.593 12.843 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.315 5.851 8.856 1.00 0.00 H new ATOM 0 HH TYR A 75 -4.929 7.244 10.458 1.00 0.00 H new ATOM 1137 N LYS A 76 -2.433 -1.645 10.856 1.00 0.00 N ATOM 1138 CA LYS A 76 -2.188 -3.036 10.497 1.00 0.00 C ATOM 1139 C LYS A 76 -3.492 -3.745 10.143 1.00 0.00 C ATOM 1140 O LYS A 76 -4.519 -3.533 10.788 1.00 0.00 O ATOM 1141 CB LYS A 76 -1.493 -3.767 11.647 1.00 0.00 C ATOM 1142 CG LYS A 76 -0.929 -5.122 11.255 1.00 0.00 C ATOM 1143 CD LYS A 76 -1.960 -6.225 11.424 1.00 0.00 C ATOM 1144 CE LYS A 76 -1.936 -6.803 12.830 1.00 0.00 C ATOM 1145 NZ LYS A 76 -2.807 -6.035 13.761 1.00 0.00 N ATOM 0 H LYS A 76 -2.664 -1.498 11.839 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.539 -3.050 9.622 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.684 -3.143 12.027 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.203 -3.901 12.463 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.594 -5.092 10.218 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.054 -5.344 11.866 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.953 -5.831 11.209 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.768 -7.018 10.701 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.263 -7.842 12.801 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.913 -6.801 13.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.394 -6.694 14.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.215 -5.476 14.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -3.421 -5.397 13.215 1.00 0.00 H new ATOM 1159 N VAL A 77 -3.444 -4.587 9.117 1.00 0.00 N ATOM 1160 CA VAL A 77 -4.620 -5.329 8.680 1.00 0.00 C ATOM 1161 C VAL A 77 -4.447 -6.825 8.919 1.00 0.00 C ATOM 1162 O VAL A 77 -3.582 -7.464 8.320 1.00 0.00 O ATOM 1163 CB VAL A 77 -4.913 -5.089 7.187 1.00 0.00 C ATOM 1164 CG1 VAL A 77 -6.088 -5.938 6.730 1.00 0.00 C ATOM 1165 CG2 VAL A 77 -5.177 -3.613 6.927 1.00 0.00 C ATOM 0 H VAL A 77 -2.602 -4.773 8.572 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.461 -4.965 9.270 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.037 -5.385 6.610 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.280 -5.755 5.673 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.855 -6.992 6.879 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.973 -5.677 7.310 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.382 -3.461 5.867 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.037 -3.288 7.513 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.301 -3.031 7.214 1.00 0.00 H new ATOM 1175 N LYS A 78 -5.277 -7.378 9.797 1.00 0.00 N ATOM 1176 CA LYS A 78 -5.218 -8.800 10.115 1.00 0.00 C ATOM 1177 C LYS A 78 -5.685 -9.642 8.931 1.00 0.00 C ATOM 1178 O LYS A 78 -6.423 -9.163 8.070 1.00 0.00 O ATOM 1179 CB LYS A 78 -6.080 -9.105 11.342 1.00 0.00 C ATOM 1180 CG LYS A 78 -5.685 -10.383 12.060 1.00 0.00 C ATOM 1181 CD LYS A 78 -6.240 -10.423 13.474 1.00 0.00 C ATOM 1182 CE LYS A 78 -7.751 -10.596 13.475 1.00 0.00 C ATOM 1183 NZ LYS A 78 -8.234 -11.249 14.722 1.00 0.00 N ATOM 0 H LYS A 78 -5.999 -6.863 10.301 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.181 -9.055 10.334 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -6.012 -8.270 12.040 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.123 -9.179 11.034 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.051 -11.244 11.500 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.598 -10.462 12.092 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.778 -11.243 14.024 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.978 -9.502 13.995 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.228 -9.622 13.367 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.049 -11.194 12.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -9.268 -11.349 14.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -7.799 -12.189 14.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -7.973 -10.666 15.543 1.00 0.00 H new ATOM 1197 N ARG A 79 -5.251 -10.898 8.897 1.00 0.00 N ATOM 1198 CA ARG A 79 -5.624 -11.805 7.818 1.00 0.00 C ATOM 1199 C ARG A 79 -6.610 -12.860 8.313 1.00 0.00 C ATOM 1200 O ARG A 79 -6.367 -13.527 9.318 1.00 0.00 O ATOM 1201 CB ARG A 79 -4.381 -12.484 7.242 1.00 0.00 C ATOM 1202 CG ARG A 79 -3.758 -11.729 6.079 1.00 0.00 C ATOM 1203 CD ARG A 79 -4.333 -12.185 4.747 1.00 0.00 C ATOM 1204 NE ARG A 79 -3.736 -13.438 4.293 1.00 0.00 N ATOM 1205 CZ ARG A 79 -4.304 -14.241 3.402 1.00 0.00 C ATOM 1206 NH1 ARG A 79 -5.477 -13.924 2.870 1.00 0.00 N ATOM 1207 NH2 ARG A 79 -3.699 -15.366 3.039 1.00 0.00 N ATOM 0 H ARG A 79 -4.641 -11.310 9.603 1.00 0.00 H new ATOM 0 HA ARG A 79 -6.106 -11.220 7.034 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -3.638 -12.594 8.032 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -4.646 -13.488 6.912 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -3.930 -10.660 6.204 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -2.679 -11.881 6.082 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -5.412 -12.311 4.842 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -4.167 -11.412 3.997 1.00 0.00 H new ATOM 0 HE ARG A 79 -2.833 -13.711 4.682 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -5.945 -13.061 3.145 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -5.911 -14.543 2.185 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -2.797 -15.614 3.445 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -4.137 -15.982 2.354 1.00 0.00 H new ATOM 1221 N GLU A 80 -7.722 -13.003 7.600 1.00 0.00 N ATOM 1222 CA GLU A 80 -8.744 -13.976 7.968 1.00 0.00 C ATOM 1223 C GLU A 80 -9.486 -14.481 6.732 1.00 0.00 C ATOM 1224 O GLU A 80 -10.306 -13.769 6.155 1.00 0.00 O ATOM 1225 CB GLU A 80 -9.738 -13.357 8.954 1.00 0.00 C ATOM 1226 CG GLU A 80 -10.770 -14.342 9.477 1.00 0.00 C ATOM 1227 CD GLU A 80 -11.762 -13.698 10.424 1.00 0.00 C ATOM 1228 OE1 GLU A 80 -12.422 -12.719 10.019 1.00 0.00 O ATOM 1229 OE2 GLU A 80 -11.880 -14.174 11.574 1.00 0.00 O ATOM 0 H GLU A 80 -7.938 -12.458 6.765 1.00 0.00 H new ATOM 0 HA GLU A 80 -8.248 -14.822 8.444 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -9.188 -12.938 9.797 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -10.253 -12.529 8.466 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -11.308 -14.780 8.636 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -10.261 -15.158 9.990 1.00 0.00 H new ATOM 1236 N GLY A 81 -9.188 -15.714 6.334 1.00 0.00 N ATOM 1237 CA GLY A 81 -9.834 -16.293 5.170 1.00 0.00 C ATOM 1238 C GLY A 81 -9.539 -15.521 3.900 1.00 0.00 C ATOM 1239 O GLY A 81 -8.542 -14.804 3.801 1.00 0.00 O ATOM 0 H GLY A 81 -8.512 -16.322 6.796 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.503 -17.324 5.050 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.911 -16.321 5.333 1.00 0.00 H new ATOM 1243 N PRO A 82 -10.416 -15.666 2.896 1.00 0.00 N ATOM 1244 CA PRO A 82 -10.266 -14.986 1.607 1.00 0.00 C ATOM 1245 C PRO A 82 -10.489 -13.481 1.716 1.00 0.00 C ATOM 1246 O PRO A 82 -10.278 -12.741 0.755 1.00 0.00 O ATOM 1247 CB PRO A 82 -11.351 -15.626 0.738 1.00 0.00 C ATOM 1248 CG PRO A 82 -12.379 -16.103 1.706 1.00 0.00 C ATOM 1249 CD PRO A 82 -11.626 -16.506 2.944 1.00 0.00 C ATOM 0 HA PRO A 82 -9.259 -15.096 1.204 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -11.772 -14.906 0.036 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -10.951 -16.450 0.148 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -13.101 -15.317 1.927 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -12.938 -16.945 1.298 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -12.208 -16.321 3.847 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -11.379 -17.568 2.936 1.00 0.00 H new ATOM 1257 N LYS A 83 -10.918 -13.034 2.892 1.00 0.00 N ATOM 1258 CA LYS A 83 -11.169 -11.618 3.128 1.00 0.00 C ATOM 1259 C LYS A 83 -10.134 -11.035 4.085 1.00 0.00 C ATOM 1260 O LYS A 83 -9.577 -11.746 4.921 1.00 0.00 O ATOM 1261 CB LYS A 83 -12.575 -11.416 3.695 1.00 0.00 C ATOM 1262 CG LYS A 83 -12.892 -12.320 4.873 1.00 0.00 C ATOM 1263 CD LYS A 83 -13.867 -11.662 5.835 1.00 0.00 C ATOM 1264 CE LYS A 83 -14.429 -12.664 6.832 1.00 0.00 C ATOM 1265 NZ LYS A 83 -15.498 -13.507 6.230 1.00 0.00 N ATOM 0 H LYS A 83 -11.099 -13.634 3.697 1.00 0.00 H new ATOM 0 HA LYS A 83 -11.091 -11.096 2.174 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.687 -10.377 4.005 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.305 -11.593 2.905 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -13.314 -13.257 4.510 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -11.971 -12.568 5.400 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -13.364 -10.857 6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -14.684 -11.209 5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -13.625 -13.303 7.197 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.829 -12.132 7.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -15.866 -14.165 6.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -16.270 -12.898 5.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -15.106 -14.048 5.433 1.00 0.00 H new ATOM 1279 N TYR A 84 -9.884 -9.736 3.958 1.00 0.00 N ATOM 1280 CA TYR A 84 -8.916 -9.057 4.812 1.00 0.00 C ATOM 1281 C TYR A 84 -9.620 -8.264 5.908 1.00 0.00 C ATOM 1282 O TYR A 84 -10.659 -7.646 5.675 1.00 0.00 O ATOM 1283 CB TYR A 84 -8.035 -8.125 3.978 1.00 0.00 C ATOM 1284 CG TYR A 84 -7.046 -8.855 3.096 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -7.481 -9.709 2.091 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -5.678 -8.689 3.270 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -6.581 -10.378 1.284 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -4.770 -9.353 2.467 1.00 0.00 C ATOM 1289 CZ TYR A 84 -5.228 -10.197 1.475 1.00 0.00 C ATOM 1290 OH TYR A 84 -4.328 -10.860 0.672 1.00 0.00 O ATOM 0 H TYR A 84 -10.338 -9.133 3.272 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.289 -9.814 5.282 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -8.672 -7.498 3.354 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -7.490 -7.459 4.647 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.540 -9.853 1.938 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -5.318 -8.030 4.046 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.936 -11.039 0.507 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -3.709 -9.213 2.615 1.00 0.00 H new ATOM 0 HH TYR A 84 -3.415 -10.621 0.937 1.00 0.00 H new ATOM 1300 N VAL A 85 -9.043 -8.285 7.107 1.00 0.00 N ATOM 1301 CA VAL A 85 -9.612 -7.567 8.241 1.00 0.00 C ATOM 1302 C VAL A 85 -8.671 -6.471 8.726 1.00 0.00 C ATOM 1303 O VAL A 85 -7.483 -6.711 8.944 1.00 0.00 O ATOM 1304 CB VAL A 85 -9.919 -8.520 9.412 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -10.358 -7.734 10.638 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -10.979 -9.533 9.010 1.00 0.00 C ATOM 0 H VAL A 85 -8.183 -8.791 7.317 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.542 -7.116 7.895 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.008 -9.063 9.665 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -10.571 -8.423 11.455 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.562 -7.051 10.937 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -11.256 -7.163 10.402 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.183 -10.198 9.849 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.894 -9.011 8.730 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -10.621 -10.118 8.163 1.00 0.00 H new ATOM 1316 N ILE A 86 -9.209 -5.266 8.891 1.00 0.00 N ATOM 1317 CA ILE A 86 -8.416 -4.133 9.352 1.00 0.00 C ATOM 1318 C ILE A 86 -8.367 -4.080 10.875 1.00 0.00 C ATOM 1319 O ILE A 86 -9.354 -4.370 11.549 1.00 0.00 O ATOM 1320 CB ILE A 86 -8.978 -2.801 8.821 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -9.063 -2.831 7.293 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -8.114 -1.639 9.286 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -9.558 -1.535 6.691 1.00 0.00 C ATOM 0 H ILE A 86 -10.190 -5.050 8.712 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.407 -4.274 8.963 1.00 0.00 H new ATOM 0 HB ILE A 86 -9.983 -2.663 9.219 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -8.077 -3.058 6.887 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -9.727 -3.640 6.990 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -8.524 -0.705 8.903 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -8.100 -1.609 10.376 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -7.098 -1.769 8.914 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -9.593 -1.628 5.606 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -10.557 -1.316 7.069 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -8.881 -0.725 6.964 1.00 0.00 H new ATOM 1335 N ASP A 87 -7.210 -3.705 11.411 1.00 0.00 N ATOM 1336 CA ASP A 87 -7.031 -3.611 12.855 1.00 0.00 C ATOM 1337 C ASP A 87 -7.412 -2.223 13.360 1.00 0.00 C ATOM 1338 O ASP A 87 -6.562 -1.468 13.834 1.00 0.00 O ATOM 1339 CB ASP A 87 -5.582 -3.924 13.233 1.00 0.00 C ATOM 1340 CG ASP A 87 -5.452 -4.428 14.656 1.00 0.00 C ATOM 1341 OD1 ASP A 87 -5.886 -5.568 14.924 1.00 0.00 O ATOM 1342 OD2 ASP A 87 -4.916 -3.683 15.503 1.00 0.00 O ATOM 0 H ASP A 87 -6.382 -3.461 10.867 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.687 -4.343 13.326 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.184 -4.672 12.548 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.976 -3.026 13.112 1.00 0.00 H new ATOM 1347 N VAL A 88 -8.695 -1.891 13.252 1.00 0.00 N ATOM 1348 CA VAL A 88 -9.189 -0.593 13.698 1.00 0.00 C ATOM 1349 C VAL A 88 -10.453 -0.745 14.537 1.00 0.00 C ATOM 1350 O VAL A 88 -10.890 -1.860 14.822 1.00 0.00 O ATOM 1351 CB VAL A 88 -9.485 0.334 12.505 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -8.193 0.886 11.924 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -10.284 -0.404 11.442 1.00 0.00 C ATOM 0 H VAL A 88 -9.411 -2.503 12.860 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.404 -0.147 14.308 1.00 0.00 H new ATOM 0 HB VAL A 88 -10.084 1.173 12.860 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.422 1.539 11.082 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.663 1.453 12.689 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -7.566 0.062 11.584 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -10.484 0.267 10.606 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -9.714 -1.263 11.089 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -11.228 -0.745 11.868 1.00 0.00 H new ATOM 1363 N GLU A 89 -11.038 0.383 14.926 1.00 0.00 N ATOM 1364 CA GLU A 89 -12.253 0.375 15.731 1.00 0.00 C ATOM 1365 C GLU A 89 -13.134 -0.819 15.376 1.00 0.00 C ATOM 1366 O GLU A 89 -13.386 -1.687 16.211 1.00 0.00 O ATOM 1367 CB GLU A 89 -13.033 1.677 15.531 1.00 0.00 C ATOM 1368 CG GLU A 89 -13.068 2.149 14.087 1.00 0.00 C ATOM 1369 CD GLU A 89 -13.187 3.655 13.969 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -14.046 4.239 14.662 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -12.421 4.250 13.184 1.00 0.00 O ATOM 0 H GLU A 89 -10.690 1.314 14.697 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.963 0.291 16.778 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -14.055 1.536 15.884 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.587 2.457 16.149 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -12.162 1.819 13.579 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -13.909 1.681 13.576 1.00 0.00 H new ATOM 1378 N GLN A 90 -13.598 -0.854 14.131 1.00 0.00 N ATOM 1379 CA GLN A 90 -14.451 -1.941 13.665 1.00 0.00 C ATOM 1380 C GLN A 90 -13.725 -2.801 12.635 1.00 0.00 C ATOM 1381 O GLN A 90 -13.020 -2.299 11.760 1.00 0.00 O ATOM 1382 CB GLN A 90 -15.741 -1.381 13.062 1.00 0.00 C ATOM 1383 CG GLN A 90 -16.804 -1.053 14.097 1.00 0.00 C ATOM 1384 CD GLN A 90 -17.761 0.025 13.629 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -17.586 1.205 13.938 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -18.781 -0.374 12.879 1.00 0.00 N ATOM 0 H GLN A 90 -13.398 -0.143 13.428 1.00 0.00 H new ATOM 0 HA GLN A 90 -14.700 -2.567 14.522 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -15.506 -0.479 12.496 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -16.146 -2.105 12.355 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -17.367 -1.956 14.333 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -16.321 -0.729 15.019 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -18.888 -1.362 12.647 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -19.458 0.307 12.535 1.00 0.00 H new ATOM 1395 N PRO A 91 -13.900 -4.125 12.741 1.00 0.00 N ATOM 1396 CA PRO A 91 -13.269 -5.083 11.827 1.00 0.00 C ATOM 1397 C PRO A 91 -13.860 -5.018 10.423 1.00 0.00 C ATOM 1398 O PRO A 91 -14.779 -5.766 10.091 1.00 0.00 O ATOM 1399 CB PRO A 91 -13.568 -6.438 12.471 1.00 0.00 C ATOM 1400 CG PRO A 91 -14.804 -6.212 13.273 1.00 0.00 C ATOM 1401 CD PRO A 91 -14.726 -4.792 13.761 1.00 0.00 C ATOM 0 HA PRO A 91 -12.205 -4.884 11.698 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -13.721 -7.210 11.717 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -12.742 -6.768 13.101 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -15.697 -6.368 12.667 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -14.860 -6.910 14.109 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -15.714 -4.339 13.837 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -14.271 -4.731 14.749 1.00 0.00 H new ATOM 1409 N PHE A 92 -13.324 -4.121 9.602 1.00 0.00 N ATOM 1410 CA PHE A 92 -13.798 -3.959 8.233 1.00 0.00 C ATOM 1411 C PHE A 92 -13.315 -5.107 7.350 1.00 0.00 C ATOM 1412 O PHE A 92 -12.121 -5.238 7.082 1.00 0.00 O ATOM 1413 CB PHE A 92 -13.320 -2.624 7.659 1.00 0.00 C ATOM 1414 CG PHE A 92 -13.463 -2.526 6.167 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -14.690 -2.237 5.593 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -12.370 -2.723 5.339 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -14.825 -2.147 4.220 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -12.499 -2.634 3.966 1.00 0.00 C ATOM 1419 CZ PHE A 92 -13.728 -2.347 3.405 1.00 0.00 C ATOM 0 H PHE A 92 -12.561 -3.495 9.861 1.00 0.00 H new ATOM 0 HA PHE A 92 -14.888 -3.970 8.250 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -13.884 -1.815 8.124 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -12.273 -2.477 7.926 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -15.551 -2.080 6.225 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -11.406 -2.949 5.771 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -15.787 -1.921 3.785 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -11.639 -2.789 3.332 1.00 0.00 H new ATOM 0 HZ PHE A 92 -13.831 -2.279 2.332 1.00 0.00 H new ATOM 1429 N SER A 93 -14.253 -5.934 6.901 1.00 0.00 N ATOM 1430 CA SER A 93 -13.924 -7.074 6.053 1.00 0.00 C ATOM 1431 C SER A 93 -14.169 -6.746 4.583 1.00 0.00 C ATOM 1432 O SER A 93 -15.176 -6.130 4.233 1.00 0.00 O ATOM 1433 CB SER A 93 -14.750 -8.296 6.459 1.00 0.00 C ATOM 1434 OG SER A 93 -16.134 -7.990 6.483 1.00 0.00 O ATOM 0 H SER A 93 -15.247 -5.836 7.110 1.00 0.00 H new ATOM 0 HA SER A 93 -12.866 -7.300 6.186 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.567 -9.112 5.760 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.434 -8.642 7.443 1.00 0.00 H new ATOM 0 HG SER A 93 -16.641 -8.787 6.744 1.00 0.00 H new ATOM 1440 N CYS A 94 -13.241 -7.161 3.728 1.00 0.00 N ATOM 1441 CA CYS A 94 -13.355 -6.911 2.296 1.00 0.00 C ATOM 1442 C CYS A 94 -13.219 -8.208 1.504 1.00 0.00 C ATOM 1443 O CYS A 94 -13.129 -9.293 2.081 1.00 0.00 O ATOM 1444 CB CYS A 94 -12.289 -5.911 1.844 1.00 0.00 C ATOM 1445 SG CYS A 94 -10.600 -6.555 1.904 1.00 0.00 S ATOM 0 H CYS A 94 -12.402 -7.672 4.002 1.00 0.00 H new ATOM 0 HA CYS A 94 -14.342 -6.491 2.105 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -12.510 -5.596 0.824 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -12.350 -5.022 2.472 1.00 0.00 H new ATOM 0 HG CYS A 94 -9.954 -6.179 0.840 1.00 0.00 H new ATOM 1451 N THR A 95 -13.206 -8.090 0.180 1.00 0.00 N ATOM 1452 CA THR A 95 -13.084 -9.252 -0.690 1.00 0.00 C ATOM 1453 C THR A 95 -11.659 -9.403 -1.210 1.00 0.00 C ATOM 1454 O THR A 95 -11.286 -10.453 -1.733 1.00 0.00 O ATOM 1455 CB THR A 95 -14.049 -9.161 -1.887 1.00 0.00 C ATOM 1456 OG1 THR A 95 -13.837 -10.267 -2.773 1.00 0.00 O ATOM 1457 CG2 THR A 95 -13.852 -7.855 -2.643 1.00 0.00 C ATOM 0 H THR A 95 -13.279 -7.200 -0.313 1.00 0.00 H new ATOM 0 HA THR A 95 -13.343 -10.125 -0.090 1.00 0.00 H new ATOM 0 HB THR A 95 -15.070 -9.192 -1.505 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.964 -10.673 -2.587 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.544 -7.813 -3.484 1.00 0.00 H new ATOM 0 HG22 THR A 95 -14.042 -7.015 -1.974 1.00 0.00 H new ATOM 0 HG23 THR A 95 -12.828 -7.800 -3.013 1.00 0.00 H new ATOM 1465 N SER A 96 -10.866 -8.347 -1.064 1.00 0.00 N ATOM 1466 CA SER A 96 -9.482 -8.361 -1.522 1.00 0.00 C ATOM 1467 C SER A 96 -8.723 -7.145 -0.996 1.00 0.00 C ATOM 1468 O SER A 96 -9.277 -6.049 -0.896 1.00 0.00 O ATOM 1469 CB SER A 96 -9.428 -8.388 -3.050 1.00 0.00 C ATOM 1470 OG SER A 96 -9.847 -7.149 -3.597 1.00 0.00 O ATOM 0 H SER A 96 -11.158 -7.470 -0.632 1.00 0.00 H new ATOM 0 HA SER A 96 -9.006 -9.261 -1.133 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.412 -8.609 -3.377 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.065 -9.189 -3.425 1.00 0.00 H new ATOM 0 HG SER A 96 -9.802 -7.191 -4.575 1.00 0.00 H new ATOM 1476 N LEU A 97 -7.453 -7.347 -0.664 1.00 0.00 N ATOM 1477 CA LEU A 97 -6.617 -6.268 -0.149 1.00 0.00 C ATOM 1478 C LEU A 97 -7.010 -4.931 -0.770 1.00 0.00 C ATOM 1479 O LEU A 97 -7.214 -3.944 -0.063 1.00 0.00 O ATOM 1480 CB LEU A 97 -5.142 -6.561 -0.431 1.00 0.00 C ATOM 1481 CG LEU A 97 -4.156 -6.151 0.663 1.00 0.00 C ATOM 1482 CD1 LEU A 97 -2.729 -6.470 0.243 1.00 0.00 C ATOM 1483 CD2 LEU A 97 -4.300 -4.671 0.986 1.00 0.00 C ATOM 0 H LEU A 97 -6.980 -8.247 -0.742 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.769 -6.206 0.929 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.032 -7.631 -0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.861 -6.054 -1.354 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.385 -6.722 1.563 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.041 -6.171 1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.633 -7.541 0.064 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.489 -5.927 -0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.590 -4.398 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -4.099 -4.082 0.091 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.314 -4.471 1.332 1.00 0.00 H new ATOM 1495 N ASP A 98 -7.114 -4.908 -2.094 1.00 0.00 N ATOM 1496 CA ASP A 98 -7.486 -3.692 -2.810 1.00 0.00 C ATOM 1497 C ASP A 98 -8.511 -2.887 -2.019 1.00 0.00 C ATOM 1498 O ASP A 98 -8.238 -1.768 -1.589 1.00 0.00 O ATOM 1499 CB ASP A 98 -8.045 -4.040 -4.191 1.00 0.00 C ATOM 1500 CG ASP A 98 -7.927 -2.887 -5.169 1.00 0.00 C ATOM 1501 OD1 ASP A 98 -8.170 -1.734 -4.758 1.00 0.00 O ATOM 1502 OD2 ASP A 98 -7.594 -3.140 -6.346 1.00 0.00 O ATOM 0 H ASP A 98 -6.946 -5.716 -2.693 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.591 -3.083 -2.932 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.514 -4.905 -4.588 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.092 -4.326 -4.095 1.00 0.00 H new ATOM 1507 N ALA A 99 -9.693 -3.466 -1.832 1.00 0.00 N ATOM 1508 CA ALA A 99 -10.760 -2.803 -1.093 1.00 0.00 C ATOM 1509 C ALA A 99 -10.206 -2.043 0.107 1.00 0.00 C ATOM 1510 O ALA A 99 -10.471 -0.852 0.277 1.00 0.00 O ATOM 1511 CB ALA A 99 -11.799 -3.819 -0.641 1.00 0.00 C ATOM 0 H ALA A 99 -9.935 -4.393 -2.182 1.00 0.00 H new ATOM 0 HA ALA A 99 -11.236 -2.083 -1.759 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -12.590 -3.310 -0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -12.225 -4.316 -1.513 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.327 -4.560 0.004 1.00 0.00 H new ATOM 1517 N VAL A 100 -9.434 -2.737 0.938 1.00 0.00 N ATOM 1518 CA VAL A 100 -8.841 -2.126 2.121 1.00 0.00 C ATOM 1519 C VAL A 100 -8.363 -0.709 1.828 1.00 0.00 C ATOM 1520 O VAL A 100 -8.593 0.211 2.614 1.00 0.00 O ATOM 1521 CB VAL A 100 -7.656 -2.957 2.648 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -7.073 -2.321 3.901 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -8.089 -4.390 2.919 1.00 0.00 C ATOM 0 H VAL A 100 -9.205 -3.723 0.813 1.00 0.00 H new ATOM 0 HA VAL A 100 -9.620 -2.093 2.883 1.00 0.00 H new ATOM 0 HB VAL A 100 -6.879 -2.975 1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.237 -2.922 4.259 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -6.724 -1.315 3.669 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -7.840 -2.270 4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.239 -4.963 3.291 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.884 -4.395 3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.454 -4.840 1.996 1.00 0.00 H new ATOM 1533 N VAL A 101 -7.697 -0.538 0.690 1.00 0.00 N ATOM 1534 CA VAL A 101 -7.188 0.769 0.291 1.00 0.00 C ATOM 1535 C VAL A 101 -8.325 1.761 0.079 1.00 0.00 C ATOM 1536 O VAL A 101 -8.196 2.944 0.388 1.00 0.00 O ATOM 1537 CB VAL A 101 -6.356 0.676 -1.003 1.00 0.00 C ATOM 1538 CG1 VAL A 101 -5.905 2.058 -1.448 1.00 0.00 C ATOM 1539 CG2 VAL A 101 -5.162 -0.246 -0.802 1.00 0.00 C ATOM 0 H VAL A 101 -7.497 -1.288 0.028 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.550 1.120 1.102 1.00 0.00 H new ATOM 0 HB VAL A 101 -6.983 0.255 -1.789 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.319 1.972 -2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -6.778 2.683 -1.634 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.294 2.510 -0.667 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -4.585 -0.301 -1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.532 0.144 -0.003 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -5.513 -1.243 -0.534 1.00 0.00 H new ATOM 1549 N ASN A 102 -9.442 1.269 -0.449 1.00 0.00 N ATOM 1550 CA ASN A 102 -10.604 2.114 -0.702 1.00 0.00 C ATOM 1551 C ASN A 102 -11.298 2.489 0.605 1.00 0.00 C ATOM 1552 O ASN A 102 -11.746 3.624 0.777 1.00 0.00 O ATOM 1553 CB ASN A 102 -11.590 1.397 -1.627 1.00 0.00 C ATOM 1554 CG ASN A 102 -11.313 1.674 -3.092 1.00 0.00 C ATOM 1555 OD1 ASN A 102 -11.705 2.713 -3.623 1.00 0.00 O ATOM 1556 ND2 ASN A 102 -10.635 0.743 -3.753 1.00 0.00 N ATOM 0 H ASN A 102 -9.567 0.291 -0.710 1.00 0.00 H new ATOM 0 HA ASN A 102 -10.260 3.028 -1.186 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -11.538 0.323 -1.447 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -12.605 1.712 -1.386 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -10.420 0.874 -4.741 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.330 -0.103 -3.272 1.00 0.00 H new ATOM 1563 N TYR A 103 -11.382 1.532 1.520 1.00 0.00 N ATOM 1564 CA TYR A 103 -12.021 1.762 2.811 1.00 0.00 C ATOM 1565 C TYR A 103 -11.591 3.101 3.402 1.00 0.00 C ATOM 1566 O TYR A 103 -12.424 3.903 3.823 1.00 0.00 O ATOM 1567 CB TYR A 103 -11.681 0.630 3.781 1.00 0.00 C ATOM 1568 CG TYR A 103 -12.081 0.917 5.211 1.00 0.00 C ATOM 1569 CD1 TYR A 103 -13.413 0.880 5.602 1.00 0.00 C ATOM 1570 CD2 TYR A 103 -11.125 1.228 6.170 1.00 0.00 C ATOM 1571 CE1 TYR A 103 -13.783 1.144 6.906 1.00 0.00 C ATOM 1572 CE2 TYR A 103 -11.485 1.491 7.478 1.00 0.00 C ATOM 1573 CZ TYR A 103 -12.815 1.448 7.841 1.00 0.00 C ATOM 1574 OH TYR A 103 -13.177 1.710 9.142 1.00 0.00 O ATOM 0 H TYR A 103 -11.016 0.589 1.393 1.00 0.00 H new ATOM 0 HA TYR A 103 -13.099 1.785 2.654 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -12.177 -0.282 3.450 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -10.608 0.441 3.744 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -14.173 0.640 4.873 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -10.083 1.265 5.888 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -14.824 1.113 7.192 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -10.729 1.729 8.212 1.00 0.00 H new ATOM 0 HH TYR A 103 -12.376 1.905 9.672 1.00 0.00 H new ATOM 1584 N PHE A 104 -10.284 3.335 3.428 1.00 0.00 N ATOM 1585 CA PHE A 104 -9.740 4.576 3.968 1.00 0.00 C ATOM 1586 C PHE A 104 -10.270 5.781 3.198 1.00 0.00 C ATOM 1587 O PHE A 104 -10.880 6.682 3.775 1.00 0.00 O ATOM 1588 CB PHE A 104 -8.211 4.554 3.913 1.00 0.00 C ATOM 1589 CG PHE A 104 -7.588 3.629 4.920 1.00 0.00 C ATOM 1590 CD1 PHE A 104 -7.746 3.855 6.278 1.00 0.00 C ATOM 1591 CD2 PHE A 104 -6.845 2.534 4.508 1.00 0.00 C ATOM 1592 CE1 PHE A 104 -7.174 3.005 7.207 1.00 0.00 C ATOM 1593 CE2 PHE A 104 -6.272 1.681 5.432 1.00 0.00 C ATOM 1594 CZ PHE A 104 -6.436 1.917 6.783 1.00 0.00 C ATOM 0 H PHE A 104 -9.581 2.682 3.082 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.058 4.662 5.007 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -7.896 4.255 2.913 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.835 5.564 4.078 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -8.322 4.704 6.615 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.712 2.345 3.453 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.304 3.192 8.263 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.696 0.830 5.098 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.988 1.252 7.507 1.00 0.00 H new ATOM 1604 N VAL A 105 -10.032 5.792 1.890 1.00 0.00 N ATOM 1605 CA VAL A 105 -10.485 6.886 1.039 1.00 0.00 C ATOM 1606 C VAL A 105 -11.837 7.418 1.503 1.00 0.00 C ATOM 1607 O VAL A 105 -12.119 8.610 1.385 1.00 0.00 O ATOM 1608 CB VAL A 105 -10.597 6.444 -0.432 1.00 0.00 C ATOM 1609 CG1 VAL A 105 -11.155 7.572 -1.287 1.00 0.00 C ATOM 1610 CG2 VAL A 105 -9.242 5.988 -0.955 1.00 0.00 C ATOM 0 H VAL A 105 -9.528 5.055 1.397 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.740 7.677 1.116 1.00 0.00 H new ATOM 0 HB VAL A 105 -11.286 5.601 -0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -11.227 7.242 -2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -12.145 7.848 -0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.493 8.436 -1.227 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.339 5.679 -1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.530 6.810 -0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -8.886 5.148 -0.359 1.00 0.00 H new ATOM 1620 N SER A 106 -12.669 6.526 2.030 1.00 0.00 N ATOM 1621 CA SER A 106 -13.994 6.905 2.508 1.00 0.00 C ATOM 1622 C SER A 106 -13.947 7.299 3.982 1.00 0.00 C ATOM 1623 O SER A 106 -14.404 8.376 4.363 1.00 0.00 O ATOM 1624 CB SER A 106 -14.980 5.753 2.307 1.00 0.00 C ATOM 1625 OG SER A 106 -16.306 6.236 2.173 1.00 0.00 O ATOM 0 H SER A 106 -12.449 5.536 2.137 1.00 0.00 H new ATOM 0 HA SER A 106 -14.330 7.766 1.930 1.00 0.00 H new ATOM 0 HB2 SER A 106 -14.705 5.185 1.418 1.00 0.00 H new ATOM 0 HB3 SER A 106 -14.922 5.069 3.153 1.00 0.00 H new ATOM 0 HG SER A 106 -16.918 5.481 2.044 1.00 0.00 H new ATOM 1631 N HIS A 107 -13.392 6.416 4.806 1.00 0.00 N ATOM 1632 CA HIS A 107 -13.284 6.670 6.238 1.00 0.00 C ATOM 1633 C HIS A 107 -12.674 8.043 6.502 1.00 0.00 C ATOM 1634 O HIS A 107 -13.233 8.852 7.244 1.00 0.00 O ATOM 1635 CB HIS A 107 -12.438 5.586 6.908 1.00 0.00 C ATOM 1636 CG HIS A 107 -11.792 6.032 8.183 1.00 0.00 C ATOM 1637 ND1 HIS A 107 -10.807 6.933 8.409 1.00 0.00 N flip ATOM 1638 CD2 HIS A 107 -12.148 5.538 9.420 1.00 0.00 C flip ATOM 1639 CE1 HIS A 107 -10.589 6.966 9.764 1.00 0.00 C flip ATOM 1640 NE2 HIS A 107 -11.411 6.116 10.351 1.00 0.00 N flip ATOM 0 H HIS A 107 -13.010 5.519 4.507 1.00 0.00 H new ATOM 0 HA HIS A 107 -14.288 6.650 6.662 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -13.068 4.720 7.113 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -11.664 5.260 6.213 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -12.910 4.794 9.600 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -9.863 7.587 10.268 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -11.467 5.936 11.353 1.00 0.00 H new ATOM 1649 N THR A 108 -11.522 8.301 5.891 1.00 0.00 N ATOM 1650 CA THR A 108 -10.834 9.575 6.061 1.00 0.00 C ATOM 1651 C THR A 108 -11.829 10.720 6.218 1.00 0.00 C ATOM 1652 O THR A 108 -12.770 10.850 5.435 1.00 0.00 O ATOM 1653 CB THR A 108 -9.905 9.877 4.870 1.00 0.00 C ATOM 1654 OG1 THR A 108 -9.277 11.150 5.049 1.00 0.00 O ATOM 1655 CG2 THR A 108 -10.683 9.868 3.563 1.00 0.00 C ATOM 0 H THR A 108 -11.045 7.644 5.273 1.00 0.00 H new ATOM 0 HA THR A 108 -10.234 9.491 6.967 1.00 0.00 H new ATOM 0 HB THR A 108 -9.142 9.100 4.826 1.00 0.00 H new ATOM 0 HG1 THR A 108 -8.687 11.334 4.288 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.007 10.084 2.736 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.136 8.887 3.416 1.00 0.00 H new ATOM 0 HG23 THR A 108 -11.465 10.627 3.600 1.00 0.00 H new ATOM 1663 N LYS A 109 -11.615 11.549 7.234 1.00 0.00 N ATOM 1664 CA LYS A 109 -12.491 12.685 7.493 1.00 0.00 C ATOM 1665 C LYS A 109 -12.834 13.414 6.197 1.00 0.00 C ATOM 1666 O LYS A 109 -13.992 13.751 5.951 1.00 0.00 O ATOM 1667 CB LYS A 109 -11.828 13.653 8.475 1.00 0.00 C ATOM 1668 CG LYS A 109 -10.480 14.170 8.004 1.00 0.00 C ATOM 1669 CD LYS A 109 -9.885 15.158 8.993 1.00 0.00 C ATOM 1670 CE LYS A 109 -10.503 16.539 8.841 1.00 0.00 C ATOM 1671 NZ LYS A 109 -9.872 17.533 9.754 1.00 0.00 N ATOM 0 H LYS A 109 -10.841 11.455 7.892 1.00 0.00 H new ATOM 0 HA LYS A 109 -13.414 12.307 7.932 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.494 14.500 8.643 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -11.700 13.153 9.435 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -9.795 13.333 7.868 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.593 14.650 7.032 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -10.043 14.797 10.009 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -8.807 15.222 8.842 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -10.395 16.874 7.809 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -11.572 16.483 9.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -10.321 18.461 9.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -9.997 17.227 10.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -8.857 17.605 9.540 1.00 0.00 H new ATOM 1685 N LYS A 110 -11.820 13.652 5.372 1.00 0.00 N ATOM 1686 CA LYS A 110 -12.014 14.338 4.101 1.00 0.00 C ATOM 1687 C LYS A 110 -11.660 13.426 2.931 1.00 0.00 C ATOM 1688 O LYS A 110 -12.535 12.994 2.182 1.00 0.00 O ATOM 1689 CB LYS A 110 -11.162 15.608 4.047 1.00 0.00 C ATOM 1690 CG LYS A 110 -11.811 16.805 4.720 1.00 0.00 C ATOM 1691 CD LYS A 110 -12.704 17.570 3.757 1.00 0.00 C ATOM 1692 CE LYS A 110 -11.887 18.414 2.791 1.00 0.00 C ATOM 1693 NZ LYS A 110 -12.603 18.630 1.503 1.00 0.00 N ATOM 0 H LYS A 110 -10.855 13.380 5.561 1.00 0.00 H new ATOM 0 HA LYS A 110 -13.066 14.611 4.021 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -10.201 15.411 4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -10.958 15.854 3.005 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -12.399 16.469 5.574 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -11.038 17.469 5.107 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -13.322 16.868 3.196 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -13.382 18.212 4.320 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -11.664 19.378 3.249 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -10.932 17.924 2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -12.014 19.209 0.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -12.793 17.712 1.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -13.502 19.120 1.684 1.00 0.00 H new ATOM 1707 N ALA A 111 -10.371 13.138 2.781 1.00 0.00 N ATOM 1708 CA ALA A 111 -9.902 12.273 1.705 1.00 0.00 C ATOM 1709 C ALA A 111 -8.488 11.772 1.979 1.00 0.00 C ATOM 1710 O ALA A 111 -7.855 12.175 2.956 1.00 0.00 O ATOM 1711 CB ALA A 111 -9.953 13.012 0.375 1.00 0.00 C ATOM 0 H ALA A 111 -9.633 13.491 3.391 1.00 0.00 H new ATOM 0 HA ALA A 111 -10.562 11.407 1.654 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -9.600 12.355 -0.420 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -10.979 13.315 0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.316 13.895 0.425 1.00 0.00 H new ATOM 1717 N LEU A 112 -7.999 10.890 1.114 1.00 0.00 N ATOM 1718 CA LEU A 112 -6.660 10.333 1.264 1.00 0.00 C ATOM 1719 C LEU A 112 -6.181 9.709 -0.042 1.00 0.00 C ATOM 1720 O LEU A 112 -6.687 8.670 -0.468 1.00 0.00 O ATOM 1721 CB LEU A 112 -6.645 9.286 2.380 1.00 0.00 C ATOM 1722 CG LEU A 112 -5.319 9.117 3.122 1.00 0.00 C ATOM 1723 CD1 LEU A 112 -5.021 10.343 3.971 1.00 0.00 C ATOM 1724 CD2 LEU A 112 -5.346 7.863 3.985 1.00 0.00 C ATOM 0 H LEU A 112 -8.510 10.545 0.301 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.982 11.145 1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.414 9.547 3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.924 8.323 1.952 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.524 9.010 2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.073 10.204 4.491 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.957 11.223 3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.818 10.483 4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.394 7.759 4.506 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.152 7.941 4.715 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.511 6.990 3.353 1.00 0.00 H new ATOM 1736 N VAL A 113 -5.199 10.346 -0.672 1.00 0.00 N ATOM 1737 CA VAL A 113 -4.649 9.851 -1.928 1.00 0.00 C ATOM 1738 C VAL A 113 -3.709 8.675 -1.690 1.00 0.00 C ATOM 1739 O VAL A 113 -2.856 8.699 -0.803 1.00 0.00 O ATOM 1740 CB VAL A 113 -3.888 10.958 -2.683 1.00 0.00 C ATOM 1741 CG1 VAL A 113 -3.280 10.410 -3.964 1.00 0.00 C ATOM 1742 CG2 VAL A 113 -4.810 12.131 -2.978 1.00 0.00 C ATOM 0 H VAL A 113 -4.768 11.206 -0.333 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.492 9.522 -2.535 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.076 11.315 -2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -2.747 11.206 -4.483 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.585 9.606 -3.722 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.072 10.024 -4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.256 12.904 -3.512 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.644 11.792 -3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.191 12.539 -2.042 1.00 0.00 H new ATOM 1752 N PRO A 114 -3.866 7.619 -2.502 1.00 0.00 N ATOM 1753 CA PRO A 114 -3.039 6.413 -2.401 1.00 0.00 C ATOM 1754 C PRO A 114 -1.599 6.658 -2.838 1.00 0.00 C ATOM 1755 O PRO A 114 -1.281 7.705 -3.404 1.00 0.00 O ATOM 1756 CB PRO A 114 -3.726 5.431 -3.354 1.00 0.00 C ATOM 1757 CG PRO A 114 -4.437 6.292 -4.338 1.00 0.00 C ATOM 1758 CD PRO A 114 -4.862 7.521 -3.582 1.00 0.00 C ATOM 0 HA PRO A 114 -2.967 6.054 -1.374 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -3.000 4.784 -3.846 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -4.421 4.783 -2.821 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.785 6.553 -5.171 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -5.299 5.774 -4.758 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -4.854 8.406 -4.218 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -5.873 7.421 -3.188 1.00 0.00 H new ATOM 1766 N PHE A 115 -0.731 5.688 -2.572 1.00 0.00 N ATOM 1767 CA PHE A 115 0.676 5.800 -2.938 1.00 0.00 C ATOM 1768 C PHE A 115 1.075 4.693 -3.911 1.00 0.00 C ATOM 1769 O PHE A 115 1.078 3.512 -3.560 1.00 0.00 O ATOM 1770 CB PHE A 115 1.556 5.735 -1.687 1.00 0.00 C ATOM 1771 CG PHE A 115 3.018 5.936 -1.973 1.00 0.00 C ATOM 1772 CD1 PHE A 115 3.766 4.930 -2.563 1.00 0.00 C ATOM 1773 CD2 PHE A 115 3.642 7.130 -1.651 1.00 0.00 C ATOM 1774 CE1 PHE A 115 5.111 5.112 -2.825 1.00 0.00 C ATOM 1775 CE2 PHE A 115 4.987 7.317 -1.911 1.00 0.00 C ATOM 1776 CZ PHE A 115 5.722 6.308 -2.500 1.00 0.00 C ATOM 0 H PHE A 115 -0.977 4.816 -2.104 1.00 0.00 H new ATOM 0 HA PHE A 115 0.823 6.762 -3.429 1.00 0.00 H new ATOM 0 HB2 PHE A 115 1.224 6.494 -0.979 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.418 4.767 -1.205 1.00 0.00 H new ATOM 0 HD1 PHE A 115 3.293 3.994 -2.821 1.00 0.00 H new ATOM 0 HD2 PHE A 115 3.072 7.924 -1.192 1.00 0.00 H new ATOM 0 HE1 PHE A 115 5.684 4.320 -3.284 1.00 0.00 H new ATOM 0 HE2 PHE A 115 5.462 8.252 -1.653 1.00 0.00 H new ATOM 0 HZ PHE A 115 6.772 6.453 -2.706 1.00 0.00 H new ATOM 1786 N LEU A 116 1.409 5.084 -5.135 1.00 0.00 N ATOM 1787 CA LEU A 116 1.810 4.127 -6.162 1.00 0.00 C ATOM 1788 C LEU A 116 3.162 4.504 -6.760 1.00 0.00 C ATOM 1789 O LEU A 116 3.465 5.684 -6.940 1.00 0.00 O ATOM 1790 CB LEU A 116 0.752 4.059 -7.264 1.00 0.00 C ATOM 1791 CG LEU A 116 1.148 3.296 -8.528 1.00 0.00 C ATOM 1792 CD1 LEU A 116 1.451 1.842 -8.201 1.00 0.00 C ATOM 1793 CD2 LEU A 116 0.048 3.391 -9.576 1.00 0.00 C ATOM 0 H LEU A 116 1.410 6.057 -5.442 1.00 0.00 H new ATOM 0 HA LEU A 116 1.902 3.147 -5.695 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.145 3.597 -6.851 1.00 0.00 H new ATOM 0 HB3 LEU A 116 0.485 5.077 -7.547 1.00 0.00 H new ATOM 0 HG LEU A 116 2.051 3.751 -8.936 1.00 0.00 H new ATOM 0 HD11 LEU A 116 1.731 1.315 -9.113 1.00 0.00 H new ATOM 0 HD12 LEU A 116 2.273 1.793 -7.487 1.00 0.00 H new ATOM 0 HD13 LEU A 116 0.566 1.374 -7.769 1.00 0.00 H new ATOM 0 HD21 LEU A 116 0.348 2.842 -10.469 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -0.872 2.962 -9.178 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -0.121 4.437 -9.833 1.00 0.00 H new ATOM 1805 N LEU A 117 3.968 3.494 -7.067 1.00 0.00 N ATOM 1806 CA LEU A 117 5.287 3.718 -7.649 1.00 0.00 C ATOM 1807 C LEU A 117 5.533 2.776 -8.823 1.00 0.00 C ATOM 1808 O LEU A 117 5.754 1.579 -8.635 1.00 0.00 O ATOM 1809 CB LEU A 117 6.373 3.523 -6.588 1.00 0.00 C ATOM 1810 CG LEU A 117 7.644 4.353 -6.769 1.00 0.00 C ATOM 1811 CD1 LEU A 117 8.195 4.186 -8.176 1.00 0.00 C ATOM 1812 CD2 LEU A 117 7.370 5.821 -6.473 1.00 0.00 C ATOM 0 H LEU A 117 3.732 2.512 -6.923 1.00 0.00 H new ATOM 0 HA LEU A 117 5.325 4.743 -8.017 1.00 0.00 H new ATOM 0 HB2 LEU A 117 5.946 3.757 -5.613 1.00 0.00 H new ATOM 0 HB3 LEU A 117 6.651 2.469 -6.570 1.00 0.00 H new ATOM 0 HG LEU A 117 8.392 3.994 -6.063 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.100 4.784 -8.286 1.00 0.00 H new ATOM 0 HD12 LEU A 117 8.430 3.136 -8.352 1.00 0.00 H new ATOM 0 HD13 LEU A 117 7.451 4.517 -8.900 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.286 6.396 -6.607 1.00 0.00 H new ATOM 0 HD22 LEU A 117 6.605 6.193 -7.154 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.023 5.926 -5.445 1.00 0.00 H new ATOM 1824 N ASP A 118 5.494 3.325 -10.032 1.00 0.00 N ATOM 1825 CA ASP A 118 5.715 2.533 -11.237 1.00 0.00 C ATOM 1826 C ASP A 118 7.148 2.012 -11.290 1.00 0.00 C ATOM 1827 O ASP A 118 7.380 0.831 -11.555 1.00 0.00 O ATOM 1828 CB ASP A 118 5.418 3.370 -12.483 1.00 0.00 C ATOM 1829 CG ASP A 118 6.444 4.462 -12.706 1.00 0.00 C ATOM 1830 OD1 ASP A 118 7.619 4.128 -12.969 1.00 0.00 O ATOM 1831 OD2 ASP A 118 6.073 5.651 -12.619 1.00 0.00 O ATOM 0 H ASP A 118 5.312 4.314 -10.204 1.00 0.00 H new ATOM 0 HA ASP A 118 5.038 1.679 -11.211 1.00 0.00 H new ATOM 0 HB2 ASP A 118 5.390 2.718 -13.356 1.00 0.00 H new ATOM 0 HB3 ASP A 118 4.429 3.819 -12.388 1.00 0.00 H new