USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 513 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 59 CYS SG : rot 132:sc= 1.38 USER MOD Set 1.2: A 67 CYS SG : rot 102:sc= 0.747 USER MOD Set 1.3: A 72 CYS SG : rot -175:sc= 0.847 USER MOD Set 1.4: A 76 HIS : no HE2:sc= -5.47! C(o=-2.5!,f=-4.8!) USER MOD Set 2.1: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 82 GLN : amide:sc= -1.15 X(o=-1.2,f=-0.92) USER MOD Set 3.1: A 23 CYS SG : rot 127:sc= 0.875 USER MOD Set 3.2: A 31 CYS SG : rot 139:sc= 0.0491 USER MOD Set 3.3: A 38 CYS SG : rot 120:sc= 0.529 USER MOD Set 3.4: A 42 HIS : +bothHN:sc= -5.23! C(o=-3.8!,f=-5.4!) USER MOD Single : A 17 THR OG1 : rot -52:sc= 0.865 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.464 F(o=-2.1!,f=-0.46) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.385 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -2.35! C(o=-2.3!,f=-3.5!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.337 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -149:sc= -0.158 (180deg=-1.4) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -162:sc= -0.0418 (180deg=-0.494) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -10! C(o=-12!,f=-10!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 216 N THR A 17 -6.461 7.612 -10.204 1.00 0.00 N ATOM 217 CA THR A 17 -5.539 7.057 -9.221 1.00 0.00 C ATOM 218 C THR A 17 -5.788 5.567 -9.016 1.00 0.00 C ATOM 219 O THR A 17 -5.583 5.039 -7.923 1.00 0.00 O ATOM 220 CB THR A 17 -5.661 7.778 -7.866 1.00 0.00 C ATOM 221 OG1 THR A 17 -4.652 7.305 -6.967 1.00 0.00 O ATOM 222 CG2 THR A 17 -7.037 7.553 -7.256 1.00 0.00 C ATOM 0 HA THR A 17 -4.532 7.205 -9.612 1.00 0.00 H new ATOM 0 HB THR A 17 -5.525 8.846 -8.034 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.681 6.326 -6.929 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.100 8.072 -6.299 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.801 7.940 -7.930 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.196 6.486 -7.101 1.00 0.00 H new ATOM 230 N ASP A 18 -6.229 4.894 -10.073 1.00 0.00 N ATOM 231 CA ASP A 18 -6.504 3.463 -10.008 1.00 0.00 C ATOM 232 C ASP A 18 -5.429 2.670 -10.745 1.00 0.00 C ATOM 233 O ASP A 18 -5.734 1.798 -11.559 1.00 0.00 O ATOM 234 CB ASP A 18 -7.879 3.159 -10.605 1.00 0.00 C ATOM 235 CG ASP A 18 -7.997 3.609 -12.048 1.00 0.00 C ATOM 236 OD1 ASP A 18 -6.980 3.554 -12.772 1.00 0.00 O ATOM 237 OD2 ASP A 18 -9.106 4.016 -12.453 1.00 0.00 O ATOM 0 H ASP A 18 -6.404 5.316 -10.985 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.497 3.163 -8.960 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -8.069 2.087 -10.545 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.647 3.652 -10.010 1.00 0.00 H new ATOM 242 N LYS A 19 -4.170 2.979 -10.456 1.00 0.00 N ATOM 243 CA LYS A 19 -3.049 2.295 -11.090 1.00 0.00 C ATOM 244 C LYS A 19 -1.861 2.199 -10.137 1.00 0.00 C ATOM 245 O LYS A 19 -1.371 3.212 -9.636 1.00 0.00 O ATOM 246 CB LYS A 19 -2.634 3.029 -12.367 1.00 0.00 C ATOM 247 CG LYS A 19 -2.691 4.542 -12.245 1.00 0.00 C ATOM 248 CD LYS A 19 -3.042 5.196 -13.570 1.00 0.00 C ATOM 249 CE LYS A 19 -1.795 5.542 -14.369 1.00 0.00 C ATOM 250 NZ LYS A 19 -2.097 6.469 -15.495 1.00 0.00 N ATOM 0 H LYS A 19 -3.900 3.699 -9.786 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.369 1.285 -11.346 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.619 2.732 -12.633 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.283 2.714 -13.184 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.431 4.820 -11.494 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.728 4.916 -11.897 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.674 4.525 -14.152 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.621 6.101 -13.388 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.057 5.999 -13.710 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.349 4.628 -14.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.221 6.680 -16.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -2.782 6.023 -16.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.499 7.352 -15.120 1.00 0.00 H new ATOM 264 N LEU A 20 -1.403 0.977 -9.892 1.00 0.00 N ATOM 265 CA LEU A 20 -0.271 0.749 -9.001 1.00 0.00 C ATOM 266 C LEU A 20 0.976 0.363 -9.791 1.00 0.00 C ATOM 267 O LEU A 20 0.962 -0.597 -10.560 1.00 0.00 O ATOM 268 CB LEU A 20 -0.606 -0.348 -7.989 1.00 0.00 C ATOM 269 CG LEU A 20 -1.235 0.119 -6.676 1.00 0.00 C ATOM 270 CD1 LEU A 20 -2.159 -0.951 -6.116 1.00 0.00 C ATOM 271 CD2 LEU A 20 -0.155 0.477 -5.665 1.00 0.00 C ATOM 0 H LEU A 20 -1.798 0.129 -10.298 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.068 1.678 -8.468 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.286 -1.056 -8.463 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.310 -0.892 -7.757 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.827 1.012 -6.876 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.597 -0.601 -5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.953 -1.158 -6.834 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.590 -1.862 -5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.621 0.807 -4.737 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.464 -0.398 -5.469 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.466 1.279 -6.065 1.00 0.00 H new ATOM 283 N GLU A 21 2.052 1.119 -9.594 1.00 0.00 N ATOM 284 CA GLU A 21 3.307 0.855 -10.288 1.00 0.00 C ATOM 285 C GLU A 21 3.957 -0.424 -9.768 1.00 0.00 C ATOM 286 O GLU A 21 4.433 -0.475 -8.634 1.00 0.00 O ATOM 287 CB GLU A 21 4.267 2.034 -10.118 1.00 0.00 C ATOM 288 CG GLU A 21 4.118 3.100 -11.191 1.00 0.00 C ATOM 289 CD GLU A 21 4.852 4.381 -10.846 1.00 0.00 C ATOM 290 OE1 GLU A 21 5.033 4.657 -9.641 1.00 0.00 O ATOM 291 OE2 GLU A 21 5.247 5.108 -11.782 1.00 0.00 O ATOM 0 H GLU A 21 2.080 1.918 -8.960 1.00 0.00 H new ATOM 0 HA GLU A 21 3.087 0.725 -11.348 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.102 2.488 -9.141 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.291 1.662 -10.127 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.496 2.713 -12.137 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.060 3.319 -11.336 1.00 0.00 H new ATOM 298 N VAL A 22 3.973 -1.456 -10.606 1.00 0.00 N ATOM 299 CA VAL A 22 4.565 -2.735 -10.233 1.00 0.00 C ATOM 300 C VAL A 22 6.065 -2.598 -9.995 1.00 0.00 C ATOM 301 O VAL A 22 6.788 -2.043 -10.823 1.00 0.00 O ATOM 302 CB VAL A 22 4.324 -3.803 -11.317 1.00 0.00 C ATOM 303 CG1 VAL A 22 5.279 -4.972 -11.136 1.00 0.00 C ATOM 304 CG2 VAL A 22 2.878 -4.275 -11.286 1.00 0.00 C ATOM 0 H VAL A 22 3.583 -1.431 -11.548 1.00 0.00 H new ATOM 0 HA VAL A 22 4.081 -3.050 -9.309 1.00 0.00 H new ATOM 0 HB VAL A 22 4.516 -3.356 -12.293 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.094 -5.716 -11.911 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.307 -4.617 -11.212 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.122 -5.422 -10.156 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.725 -5.029 -12.058 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.657 -4.705 -10.309 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.215 -3.429 -11.469 1.00 0.00 H new ATOM 314 N CYS A 23 6.527 -3.109 -8.859 1.00 0.00 N ATOM 315 CA CYS A 23 7.941 -3.045 -8.510 1.00 0.00 C ATOM 316 C CYS A 23 8.787 -3.804 -9.528 1.00 0.00 C ATOM 317 O CYS A 23 8.405 -4.881 -9.988 1.00 0.00 O ATOM 318 CB CYS A 23 8.169 -3.619 -7.111 1.00 0.00 C ATOM 319 SG CYS A 23 9.568 -2.867 -6.218 1.00 0.00 S ATOM 0 H CYS A 23 5.942 -3.572 -8.164 1.00 0.00 H new ATOM 0 HA CYS A 23 8.245 -1.998 -8.519 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.262 -3.485 -6.522 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.339 -4.692 -7.194 1.00 0.00 H new ATOM 0 HG CYS A 23 9.166 -2.449 -5.054 1.00 0.00 H new ATOM 324 N ARG A 24 9.938 -3.237 -9.874 1.00 0.00 N ATOM 325 CA ARG A 24 10.838 -3.859 -10.838 1.00 0.00 C ATOM 326 C ARG A 24 11.827 -4.786 -10.137 1.00 0.00 C ATOM 327 O ARG A 24 12.169 -5.849 -10.654 1.00 0.00 O ATOM 328 CB ARG A 24 11.595 -2.789 -11.626 1.00 0.00 C ATOM 329 CG ARG A 24 10.700 -1.937 -12.510 1.00 0.00 C ATOM 330 CD ARG A 24 11.514 -1.007 -13.396 1.00 0.00 C ATOM 331 NE ARG A 24 10.723 -0.469 -14.499 1.00 0.00 N ATOM 332 CZ ARG A 24 11.060 0.617 -15.185 1.00 0.00 C ATOM 333 NH1 ARG A 24 12.169 1.278 -14.882 1.00 0.00 N ATOM 334 NH2 ARG A 24 10.288 1.045 -16.175 1.00 0.00 N ATOM 0 H ARG A 24 10.270 -2.347 -9.501 1.00 0.00 H new ATOM 0 HA ARG A 24 10.238 -4.451 -11.529 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.124 -2.141 -10.927 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.350 -3.272 -12.246 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.080 -2.583 -13.132 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.025 -1.350 -11.888 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.905 -0.185 -12.796 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.373 -1.547 -13.795 1.00 0.00 H new ATOM 0 HE ARG A 24 9.864 -0.954 -14.757 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.765 0.952 -14.121 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.426 2.112 -15.410 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.434 0.540 -16.411 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.549 1.879 -16.701 1.00 0.00 H new ATOM 348 N GLU A 25 12.284 -4.374 -8.958 1.00 0.00 N ATOM 349 CA GLU A 25 13.235 -5.167 -8.189 1.00 0.00 C ATOM 350 C GLU A 25 12.642 -6.525 -7.825 1.00 0.00 C ATOM 351 O GLU A 25 13.278 -7.562 -8.012 1.00 0.00 O ATOM 352 CB GLU A 25 13.644 -4.420 -6.917 1.00 0.00 C ATOM 353 CG GLU A 25 14.584 -3.253 -7.173 1.00 0.00 C ATOM 354 CD GLU A 25 13.858 -2.018 -7.670 1.00 0.00 C ATOM 355 OE1 GLU A 25 12.898 -1.584 -6.999 1.00 0.00 O ATOM 356 OE2 GLU A 25 14.249 -1.485 -8.729 1.00 0.00 O ATOM 0 H GLU A 25 12.011 -3.496 -8.516 1.00 0.00 H new ATOM 0 HA GLU A 25 14.118 -5.329 -8.807 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.748 -4.051 -6.418 1.00 0.00 H new ATOM 0 HB3 GLU A 25 14.125 -5.120 -6.233 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.116 -3.011 -6.253 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.334 -3.549 -7.907 1.00 0.00 H new ATOM 363 N PHE A 26 11.420 -6.510 -7.304 1.00 0.00 N ATOM 364 CA PHE A 26 10.741 -7.740 -6.912 1.00 0.00 C ATOM 365 C PHE A 26 10.688 -8.726 -8.074 1.00 0.00 C ATOM 366 O PHE A 26 10.888 -9.927 -7.892 1.00 0.00 O ATOM 367 CB PHE A 26 9.323 -7.432 -6.425 1.00 0.00 C ATOM 368 CG PHE A 26 8.349 -8.548 -6.672 1.00 0.00 C ATOM 369 CD1 PHE A 26 7.661 -8.633 -7.872 1.00 0.00 C ATOM 370 CD2 PHE A 26 8.121 -9.512 -5.703 1.00 0.00 C ATOM 371 CE1 PHE A 26 6.764 -9.659 -8.102 1.00 0.00 C ATOM 372 CE2 PHE A 26 7.225 -10.541 -5.928 1.00 0.00 C ATOM 373 CZ PHE A 26 6.545 -10.614 -7.129 1.00 0.00 C ATOM 0 H PHE A 26 10.879 -5.660 -7.143 1.00 0.00 H new ATOM 0 HA PHE A 26 11.307 -8.194 -6.099 1.00 0.00 H new ATOM 0 HB2 PHE A 26 9.353 -7.216 -5.357 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.964 -6.531 -6.922 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.828 -7.889 -8.637 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.649 -9.459 -4.762 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.235 -9.714 -9.042 1.00 0.00 H new ATOM 0 HE2 PHE A 26 7.057 -11.287 -5.166 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.844 -11.416 -7.306 1.00 0.00 H new ATOM 383 N GLN A 27 10.417 -8.210 -9.269 1.00 0.00 N ATOM 384 CA GLN A 27 10.337 -9.046 -10.461 1.00 0.00 C ATOM 385 C GLN A 27 11.568 -9.939 -10.584 1.00 0.00 C ATOM 386 O GLN A 27 11.478 -11.075 -11.048 1.00 0.00 O ATOM 387 CB GLN A 27 10.197 -8.175 -11.711 1.00 0.00 C ATOM 388 CG GLN A 27 8.802 -7.603 -11.901 1.00 0.00 C ATOM 389 CD GLN A 27 8.694 -6.724 -13.131 1.00 0.00 C ATOM 390 OE1 GLN A 27 9.632 -6.007 -13.480 1.00 0.00 O ATOM 391 NE2 GLN A 27 7.546 -6.776 -13.797 1.00 0.00 N ATOM 0 H GLN A 27 10.249 -7.218 -9.437 1.00 0.00 H new ATOM 0 HA GLN A 27 9.457 -9.683 -10.369 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.912 -7.355 -11.654 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.460 -8.767 -12.588 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.086 -8.421 -11.980 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.528 -7.023 -11.020 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.795 -7.385 -13.472 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.416 -6.207 -14.634 1.00 0.00 H new ATOM 400 N ARG A 28 12.716 -9.416 -10.165 1.00 0.00 N ATOM 401 CA ARG A 28 13.965 -10.166 -10.230 1.00 0.00 C ATOM 402 C ARG A 28 14.416 -10.592 -8.836 1.00 0.00 C ATOM 403 O ARG A 28 15.606 -10.780 -8.588 1.00 0.00 O ATOM 404 CB ARG A 28 15.055 -9.325 -10.896 1.00 0.00 C ATOM 405 CG ARG A 28 15.455 -8.099 -10.091 1.00 0.00 C ATOM 406 CD ARG A 28 16.817 -7.572 -10.518 1.00 0.00 C ATOM 407 NE ARG A 28 16.750 -6.842 -11.781 1.00 0.00 N ATOM 408 CZ ARG A 28 17.800 -6.640 -12.569 1.00 0.00 C ATOM 409 NH1 ARG A 28 18.990 -7.113 -12.228 1.00 0.00 N ATOM 410 NH2 ARG A 28 17.659 -5.965 -13.703 1.00 0.00 N ATOM 0 H ARG A 28 12.807 -8.477 -9.777 1.00 0.00 H new ATOM 0 HA ARG A 28 13.792 -11.062 -10.826 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.935 -9.947 -11.056 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.707 -9.006 -11.879 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.705 -7.318 -10.218 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.477 -8.350 -9.030 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.212 -6.917 -9.741 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.513 -8.405 -10.617 1.00 0.00 H new ATOM 0 HE ARG A 28 15.848 -6.467 -12.074 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.102 -7.634 -11.358 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.794 -6.956 -12.835 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.744 -5.601 -13.970 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.466 -5.810 -14.308 1.00 0.00 H new ATOM 424 N GLY A 29 13.456 -10.741 -7.928 1.00 0.00 N ATOM 425 CA GLY A 29 13.774 -11.143 -6.571 1.00 0.00 C ATOM 426 C GLY A 29 14.897 -10.320 -5.971 1.00 0.00 C ATOM 427 O GLY A 29 15.810 -10.862 -5.349 1.00 0.00 O ATOM 0 H GLY A 29 12.463 -10.590 -8.109 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.884 -11.046 -5.949 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.055 -12.196 -6.564 1.00 0.00 H new ATOM 431 N ASN A 30 14.830 -9.006 -6.158 1.00 0.00 N ATOM 432 CA ASN A 30 15.851 -8.106 -5.633 1.00 0.00 C ATOM 433 C ASN A 30 15.281 -7.226 -4.524 1.00 0.00 C ATOM 434 O ASN A 30 15.941 -6.973 -3.516 1.00 0.00 O ATOM 435 CB ASN A 30 16.415 -7.231 -6.754 1.00 0.00 C ATOM 436 CG ASN A 30 17.536 -6.329 -6.274 1.00 0.00 C ATOM 437 OD1 ASN A 30 17.191 -5.338 -5.460 1.00 0.00 O flip ATOM 438 ND2 ASN A 30 18.699 -6.522 -6.632 1.00 0.00 N flip ATOM 0 H ASN A 30 14.080 -8.541 -6.669 1.00 0.00 H new ATOM 0 HA ASN A 30 16.655 -8.712 -5.216 1.00 0.00 H new ATOM 0 HB2 ASN A 30 16.784 -7.868 -7.558 1.00 0.00 H new ATOM 0 HB3 ASN A 30 15.615 -6.621 -7.172 1.00 0.00 H new ATOM 0 HD21 ASN A 30 18.918 -7.296 -7.259 1.00 0.00 H new ATOM 0 HD22 ASN A 30 19.443 -5.907 -6.302 1.00 0.00 H new ATOM 445 N CYS A 31 14.051 -6.763 -4.717 1.00 0.00 N ATOM 446 CA CYS A 31 13.391 -5.911 -3.735 1.00 0.00 C ATOM 447 C CYS A 31 13.410 -6.560 -2.353 1.00 0.00 C ATOM 448 O CYS A 31 13.065 -7.731 -2.201 1.00 0.00 O ATOM 449 CB CYS A 31 11.947 -5.632 -4.159 1.00 0.00 C ATOM 450 SG CYS A 31 11.156 -4.268 -3.247 1.00 0.00 S ATOM 0 H CYS A 31 13.490 -6.964 -5.545 1.00 0.00 H new ATOM 0 HA CYS A 31 13.936 -4.968 -3.683 1.00 0.00 H new ATOM 0 HB2 CYS A 31 11.930 -5.401 -5.224 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.357 -6.538 -4.020 1.00 0.00 H new ATOM 0 HG CYS A 31 10.454 -3.546 -4.069 1.00 0.00 H new ATOM 455 N ALA A 32 13.815 -5.788 -1.350 1.00 0.00 N ATOM 456 CA ALA A 32 13.877 -6.286 0.019 1.00 0.00 C ATOM 457 C ALA A 32 12.745 -5.710 0.864 1.00 0.00 C ATOM 458 O ALA A 32 12.353 -6.295 1.874 1.00 0.00 O ATOM 459 CB ALA A 32 15.225 -5.952 0.641 1.00 0.00 C ATOM 0 H ALA A 32 14.105 -4.816 -1.459 1.00 0.00 H new ATOM 0 HA ALA A 32 13.760 -7.369 -0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.258 -6.330 1.663 1.00 0.00 H new ATOM 0 HB2 ALA A 32 16.020 -6.416 0.057 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.364 -4.871 0.649 1.00 0.00 H new ATOM 465 N ARG A 33 12.226 -4.561 0.445 1.00 0.00 N ATOM 466 CA ARG A 33 11.140 -3.906 1.165 1.00 0.00 C ATOM 467 C ARG A 33 9.863 -4.738 1.097 1.00 0.00 C ATOM 468 O ARG A 33 8.945 -4.552 1.895 1.00 0.00 O ATOM 469 CB ARG A 33 10.885 -2.512 0.588 1.00 0.00 C ATOM 470 CG ARG A 33 11.832 -1.450 1.122 1.00 0.00 C ATOM 471 CD ARG A 33 11.250 -0.746 2.338 1.00 0.00 C ATOM 472 NE ARG A 33 12.290 -0.184 3.195 1.00 0.00 N ATOM 473 CZ ARG A 33 12.924 -0.878 4.133 1.00 0.00 C ATOM 474 NH1 ARG A 33 12.625 -2.155 4.334 1.00 0.00 N ATOM 475 NH2 ARG A 33 13.860 -0.297 4.873 1.00 0.00 N ATOM 0 H ARG A 33 12.540 -4.064 -0.389 1.00 0.00 H new ATOM 0 HA ARG A 33 11.436 -3.811 2.210 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.976 -2.555 -0.497 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.859 -2.218 0.811 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.784 -1.910 1.387 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.038 -0.719 0.341 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.581 0.050 2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.649 -1.451 2.912 1.00 0.00 H new ATOM 0 HE ARG A 33 12.543 0.796 3.066 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.907 -2.606 3.767 1.00 0.00 H new ATOM 0 HH12 ARG A 33 13.114 -2.686 5.055 1.00 0.00 H new ATOM 0 HH21 ARG A 33 14.094 0.684 4.722 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.346 -0.832 5.593 1.00 0.00 H new ATOM 489 N GLY A 34 9.811 -5.657 0.137 1.00 0.00 N ATOM 490 CA GLY A 34 8.642 -6.503 -0.018 1.00 0.00 C ATOM 491 C GLY A 34 7.365 -5.703 -0.182 1.00 0.00 C ATOM 492 O GLY A 34 7.327 -4.514 0.131 1.00 0.00 O ATOM 0 H GLY A 34 10.558 -5.830 -0.536 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.777 -7.148 -0.886 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.550 -7.154 0.852 1.00 0.00 H new ATOM 496 N GLU A 35 6.319 -6.357 -0.675 1.00 0.00 N ATOM 497 CA GLU A 35 5.035 -5.697 -0.883 1.00 0.00 C ATOM 498 C GLU A 35 4.484 -5.153 0.432 1.00 0.00 C ATOM 499 O GLU A 35 3.501 -4.411 0.448 1.00 0.00 O ATOM 500 CB GLU A 35 4.031 -6.670 -1.505 1.00 0.00 C ATOM 501 CG GLU A 35 3.390 -7.610 -0.498 1.00 0.00 C ATOM 502 CD GLU A 35 2.122 -7.041 0.107 1.00 0.00 C ATOM 503 OE1 GLU A 35 1.091 -7.007 -0.597 1.00 0.00 O ATOM 504 OE2 GLU A 35 2.161 -6.629 1.285 1.00 0.00 O ATOM 0 H GLU A 35 6.335 -7.342 -0.938 1.00 0.00 H new ATOM 0 HA GLU A 35 5.191 -4.862 -1.565 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.249 -6.100 -2.007 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.536 -7.260 -2.270 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.162 -8.558 -0.986 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.103 -7.825 0.298 1.00 0.00 H new ATOM 511 N THR A 36 5.125 -5.527 1.535 1.00 0.00 N ATOM 512 CA THR A 36 4.699 -5.079 2.856 1.00 0.00 C ATOM 513 C THR A 36 5.297 -3.718 3.193 1.00 0.00 C ATOM 514 O THR A 36 4.576 -2.780 3.535 1.00 0.00 O ATOM 515 CB THR A 36 5.100 -6.089 3.948 1.00 0.00 C ATOM 516 OG1 THR A 36 6.523 -6.094 4.112 1.00 0.00 O ATOM 517 CG2 THR A 36 4.621 -7.488 3.593 1.00 0.00 C ATOM 0 H THR A 36 5.941 -6.139 1.540 1.00 0.00 H new ATOM 0 HA THR A 36 3.612 -4.999 2.828 1.00 0.00 H new ATOM 0 HB THR A 36 4.628 -5.787 4.883 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.770 -6.737 4.809 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.916 -8.184 4.379 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.535 -7.487 3.497 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.068 -7.797 2.648 1.00 0.00 H new ATOM 525 N ASP A 37 6.618 -3.617 3.095 1.00 0.00 N ATOM 526 CA ASP A 37 7.313 -2.369 3.389 1.00 0.00 C ATOM 527 C ASP A 37 7.592 -1.588 2.109 1.00 0.00 C ATOM 528 O ASP A 37 8.276 -0.565 2.130 1.00 0.00 O ATOM 529 CB ASP A 37 8.624 -2.652 4.125 1.00 0.00 C ATOM 530 CG ASP A 37 9.099 -1.464 4.938 1.00 0.00 C ATOM 531 OD1 ASP A 37 8.700 -0.325 4.615 1.00 0.00 O ATOM 532 OD2 ASP A 37 9.870 -1.673 5.898 1.00 0.00 O ATOM 0 H ASP A 37 7.229 -4.384 2.814 1.00 0.00 H new ATOM 0 HA ASP A 37 6.669 -1.765 4.029 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.489 -3.509 4.784 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.392 -2.924 3.401 1.00 0.00 H new ATOM 537 N CYS A 38 7.058 -2.078 0.995 1.00 0.00 N ATOM 538 CA CYS A 38 7.249 -1.427 -0.296 1.00 0.00 C ATOM 539 C CYS A 38 5.934 -0.855 -0.817 1.00 0.00 C ATOM 540 O CYS A 38 4.921 -1.553 -0.874 1.00 0.00 O ATOM 541 CB CYS A 38 7.825 -2.418 -1.309 1.00 0.00 C ATOM 542 SG CYS A 38 8.458 -1.642 -2.831 1.00 0.00 S ATOM 0 H CYS A 38 6.489 -2.924 0.960 1.00 0.00 H new ATOM 0 HA CYS A 38 7.953 -0.606 -0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.633 -2.977 -0.836 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.052 -3.139 -1.576 1.00 0.00 H new ATOM 0 HG CYS A 38 9.724 -1.909 -2.960 1.00 0.00 H new ATOM 547 N ARG A 39 5.958 0.418 -1.197 1.00 0.00 N ATOM 548 CA ARG A 39 4.769 1.084 -1.713 1.00 0.00 C ATOM 549 C ARG A 39 4.263 0.393 -2.976 1.00 0.00 C ATOM 550 O ARG A 39 3.062 0.175 -3.139 1.00 0.00 O ATOM 551 CB ARG A 39 5.070 2.555 -2.009 1.00 0.00 C ATOM 552 CG ARG A 39 6.141 2.756 -3.068 1.00 0.00 C ATOM 553 CD ARG A 39 6.913 4.047 -2.841 1.00 0.00 C ATOM 554 NE ARG A 39 8.038 4.180 -3.763 1.00 0.00 N ATOM 555 CZ ARG A 39 8.577 5.347 -4.100 1.00 0.00 C ATOM 556 NH1 ARG A 39 8.096 6.474 -3.594 1.00 0.00 N ATOM 557 NH2 ARG A 39 9.599 5.387 -4.945 1.00 0.00 N ATOM 0 H ARG A 39 6.788 1.009 -1.157 1.00 0.00 H new ATOM 0 HA ARG A 39 3.991 1.025 -0.951 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.153 3.047 -2.334 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.385 3.045 -1.088 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.830 1.912 -3.055 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.679 2.776 -4.055 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.242 4.897 -2.963 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.280 4.075 -1.815 1.00 0.00 H new ATOM 0 HE ARG A 39 8.431 3.331 -4.170 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.310 6.447 -2.944 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.512 7.368 -3.854 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.971 4.522 -5.336 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.012 6.283 -5.203 1.00 0.00 H new ATOM 571 N PHE A 40 5.188 0.051 -3.867 1.00 0.00 N ATOM 572 CA PHE A 40 4.836 -0.614 -5.116 1.00 0.00 C ATOM 573 C PHE A 40 4.349 -2.037 -4.857 1.00 0.00 C ATOM 574 O PHE A 40 4.921 -2.761 -4.043 1.00 0.00 O ATOM 575 CB PHE A 40 6.039 -0.639 -6.062 1.00 0.00 C ATOM 576 CG PHE A 40 6.583 0.726 -6.375 1.00 0.00 C ATOM 577 CD1 PHE A 40 5.764 1.706 -6.911 1.00 0.00 C ATOM 578 CD2 PHE A 40 7.914 1.027 -6.135 1.00 0.00 C ATOM 579 CE1 PHE A 40 6.261 2.963 -7.201 1.00 0.00 C ATOM 580 CE2 PHE A 40 8.417 2.282 -6.421 1.00 0.00 C ATOM 581 CZ PHE A 40 7.590 3.251 -6.956 1.00 0.00 C ATOM 0 H PHE A 40 6.186 0.223 -3.747 1.00 0.00 H new ATOM 0 HA PHE A 40 4.027 -0.051 -5.582 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.829 -1.243 -5.616 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.750 -1.128 -6.992 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.725 1.485 -7.105 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.566 0.272 -5.720 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.612 3.718 -7.618 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.456 2.505 -6.226 1.00 0.00 H new ATOM 0 HZ PHE A 40 7.982 4.232 -7.182 1.00 0.00 H new ATOM 591 N ALA A 41 3.288 -2.429 -5.555 1.00 0.00 N ATOM 592 CA ALA A 41 2.725 -3.765 -5.402 1.00 0.00 C ATOM 593 C ALA A 41 3.611 -4.814 -6.065 1.00 0.00 C ATOM 594 O ALA A 41 4.267 -4.541 -7.071 1.00 0.00 O ATOM 595 CB ALA A 41 1.320 -3.815 -5.982 1.00 0.00 C ATOM 0 H ALA A 41 2.801 -1.841 -6.231 1.00 0.00 H new ATOM 0 HA ALA A 41 2.675 -3.991 -4.337 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.912 -4.818 -5.861 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.685 -3.099 -5.460 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.355 -3.563 -7.042 1.00 0.00 H new ATOM 601 N HIS A 42 3.626 -6.015 -5.496 1.00 0.00 N ATOM 602 CA HIS A 42 4.432 -7.106 -6.033 1.00 0.00 C ATOM 603 C HIS A 42 3.545 -8.209 -6.600 1.00 0.00 C ATOM 604 O HIS A 42 3.002 -9.039 -5.870 1.00 0.00 O ATOM 605 CB HIS A 42 5.344 -7.676 -4.946 1.00 0.00 C ATOM 606 CG HIS A 42 6.378 -6.707 -4.462 1.00 0.00 C ATOM 607 ND1 HIS A 42 7.580 -7.101 -3.913 1.00 0.00 N ATOM 608 CD2 HIS A 42 6.386 -5.354 -4.449 1.00 0.00 C ATOM 609 CE1 HIS A 42 8.282 -6.031 -3.581 1.00 0.00 C ATOM 610 NE2 HIS A 42 7.579 -4.958 -3.896 1.00 0.00 N ATOM 0 H HIS A 42 3.089 -6.258 -4.663 1.00 0.00 H new ATOM 0 HA HIS A 42 5.046 -6.708 -6.841 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.733 -7.995 -4.101 1.00 0.00 H new ATOM 0 HB3 HIS A 42 5.843 -8.565 -5.332 1.00 0.00 H new ATOM 0 HD1 HIS A 42 7.881 -8.067 -3.783 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.600 -4.706 -4.807 1.00 0.00 H new ATOM 0 HE1 HIS A 42 9.263 -6.034 -3.129 1.00 0.00 H new ATOM 0 HE2 HIS A 42 7.874 -3.992 -3.752 1.00 0.00 H new ATOM 618 N PRO A 43 3.392 -8.221 -7.932 1.00 0.00 N ATOM 619 CA PRO A 43 2.571 -9.217 -8.627 1.00 0.00 C ATOM 620 C PRO A 43 3.192 -10.609 -8.588 1.00 0.00 C ATOM 621 O PRO A 43 3.811 -11.050 -9.556 1.00 0.00 O ATOM 622 CB PRO A 43 2.519 -8.694 -10.064 1.00 0.00 C ATOM 623 CG PRO A 43 3.754 -7.873 -10.214 1.00 0.00 C ATOM 624 CD PRO A 43 4.010 -7.262 -8.864 1.00 0.00 C ATOM 0 HA PRO A 43 1.590 -9.331 -8.165 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.499 -9.513 -10.783 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.623 -8.097 -10.236 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.596 -8.489 -10.530 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.620 -7.102 -10.973 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.077 -7.145 -8.672 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.561 -6.273 -8.779 1.00 0.00 H new ATOM 696 N ILE A 49 -0.236 -7.690 -15.676 1.00 0.00 N ATOM 697 CA ILE A 49 0.780 -6.652 -15.793 1.00 0.00 C ATOM 698 C ILE A 49 0.831 -6.089 -17.210 1.00 0.00 C ATOM 699 O ILE A 49 0.868 -6.840 -18.185 1.00 0.00 O ATOM 700 CB ILE A 49 2.175 -7.184 -15.414 1.00 0.00 C ATOM 701 CG1 ILE A 49 2.167 -7.724 -13.983 1.00 0.00 C ATOM 702 CG2 ILE A 49 3.219 -6.088 -15.566 1.00 0.00 C ATOM 703 CD1 ILE A 49 3.430 -8.468 -13.610 1.00 0.00 C ATOM 0 HA ILE A 49 0.501 -5.859 -15.099 1.00 0.00 H new ATOM 0 HB ILE A 49 2.432 -8.000 -16.089 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.026 -6.894 -13.291 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.313 -8.390 -13.860 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.199 -6.479 -15.295 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.239 -5.745 -16.601 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.968 -5.253 -14.912 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.354 -8.822 -12.582 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.562 -9.319 -14.278 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.286 -7.800 -13.701 1.00 0.00 H new ATOM 715 N ASP A 50 0.834 -4.765 -17.315 1.00 0.00 N ATOM 716 CA ASP A 50 0.883 -4.101 -18.613 1.00 0.00 C ATOM 717 C ASP A 50 2.326 -3.900 -19.065 1.00 0.00 C ATOM 718 O ASP A 50 3.074 -3.127 -18.466 1.00 0.00 O ATOM 719 CB ASP A 50 0.163 -2.754 -18.548 1.00 0.00 C ATOM 720 CG ASP A 50 -1.312 -2.869 -18.879 1.00 0.00 C ATOM 721 OD1 ASP A 50 -2.077 -3.357 -18.021 1.00 0.00 O ATOM 722 OD2 ASP A 50 -1.701 -2.470 -19.997 1.00 0.00 O ATOM 0 H ASP A 50 0.803 -4.130 -16.517 1.00 0.00 H new ATOM 0 HA ASP A 50 0.379 -4.738 -19.340 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.276 -2.333 -17.549 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.635 -2.059 -19.243 1.00 0.00 H new ATOM 727 N THR A 51 2.711 -4.600 -20.127 1.00 0.00 N ATOM 728 CA THR A 51 4.064 -4.500 -20.659 1.00 0.00 C ATOM 729 C THR A 51 4.309 -3.133 -21.287 1.00 0.00 C ATOM 730 O THR A 51 5.410 -2.841 -21.753 1.00 0.00 O ATOM 731 CB THR A 51 4.337 -5.592 -21.711 1.00 0.00 C ATOM 732 OG1 THR A 51 3.343 -5.539 -22.741 1.00 0.00 O ATOM 733 CG2 THR A 51 4.338 -6.972 -21.071 1.00 0.00 C ATOM 0 H THR A 51 2.104 -5.243 -20.636 1.00 0.00 H new ATOM 0 HA THR A 51 4.744 -4.638 -19.818 1.00 0.00 H new ATOM 0 HB THR A 51 5.320 -5.410 -22.145 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.524 -6.235 -23.407 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.533 -7.726 -21.833 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.115 -7.018 -20.308 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.367 -7.161 -20.613 1.00 0.00 H new ATOM 741 N SER A 52 3.275 -2.298 -21.296 1.00 0.00 N ATOM 742 CA SER A 52 3.376 -0.961 -21.870 1.00 0.00 C ATOM 743 C SER A 52 3.816 0.051 -20.816 1.00 0.00 C ATOM 744 O SER A 52 4.597 0.959 -21.100 1.00 0.00 O ATOM 745 CB SER A 52 2.035 -0.538 -22.472 1.00 0.00 C ATOM 746 OG SER A 52 1.687 -1.360 -23.572 1.00 0.00 O ATOM 0 H SER A 52 2.357 -2.524 -20.912 1.00 0.00 H new ATOM 0 HA SER A 52 4.127 -0.987 -22.659 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.257 -0.596 -21.711 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.089 0.502 -22.794 1.00 0.00 H new ATOM 0 HG SER A 52 0.825 -1.070 -23.937 1.00 0.00 H new ATOM 752 N ASP A 53 3.309 -0.114 -19.600 1.00 0.00 N ATOM 753 CA ASP A 53 3.649 0.784 -18.502 1.00 0.00 C ATOM 754 C ASP A 53 4.006 -0.005 -17.246 1.00 0.00 C ATOM 755 O ASP A 53 4.013 0.537 -16.142 1.00 0.00 O ATOM 756 CB ASP A 53 2.485 1.732 -18.210 1.00 0.00 C ATOM 757 CG ASP A 53 1.971 2.419 -19.460 1.00 0.00 C ATOM 758 OD1 ASP A 53 2.644 3.353 -19.943 1.00 0.00 O ATOM 759 OD2 ASP A 53 0.895 2.023 -19.956 1.00 0.00 O ATOM 0 H ASP A 53 2.661 -0.861 -19.349 1.00 0.00 H new ATOM 0 HA ASP A 53 4.518 1.370 -18.801 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.672 1.173 -17.746 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.805 2.485 -17.490 1.00 0.00 H new ATOM 764 N ASN A 54 4.300 -1.289 -17.423 1.00 0.00 N ATOM 765 CA ASN A 54 4.656 -2.153 -16.303 1.00 0.00 C ATOM 766 C ASN A 54 3.862 -1.781 -15.055 1.00 0.00 C ATOM 767 O ASN A 54 4.366 -1.871 -13.935 1.00 0.00 O ATOM 768 CB ASN A 54 6.156 -2.057 -16.015 1.00 0.00 C ATOM 769 CG ASN A 54 6.483 -0.966 -15.014 1.00 0.00 C ATOM 770 OD1 ASN A 54 6.384 0.222 -15.320 1.00 0.00 O ATOM 771 ND2 ASN A 54 6.877 -1.366 -13.810 1.00 0.00 N ATOM 0 H ASN A 54 4.299 -1.754 -18.331 1.00 0.00 H new ATOM 0 HA ASN A 54 4.410 -3.179 -16.575 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.512 -3.014 -15.634 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.690 -1.865 -16.945 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.112 -0.677 -13.095 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.945 -2.362 -13.600 1.00 0.00 H new ATOM 778 N THR A 55 2.616 -1.363 -15.256 1.00 0.00 N ATOM 779 CA THR A 55 1.752 -0.976 -14.148 1.00 0.00 C ATOM 780 C THR A 55 0.536 -1.891 -14.055 1.00 0.00 C ATOM 781 O THR A 55 0.237 -2.641 -14.984 1.00 0.00 O ATOM 782 CB THR A 55 1.274 0.481 -14.290 1.00 0.00 C ATOM 783 OG1 THR A 55 0.757 0.701 -15.606 1.00 0.00 O ATOM 784 CG2 THR A 55 2.413 1.453 -14.018 1.00 0.00 C ATOM 0 H THR A 55 2.183 -1.284 -16.176 1.00 0.00 H new ATOM 0 HA THR A 55 2.344 -1.069 -13.238 1.00 0.00 H new ATOM 0 HB THR A 55 0.486 0.655 -13.557 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.454 1.629 -15.687 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.052 2.476 -14.124 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.785 1.303 -13.005 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.219 1.277 -14.730 1.00 0.00 H new ATOM 792 N VAL A 56 -0.165 -1.823 -12.927 1.00 0.00 N ATOM 793 CA VAL A 56 -1.351 -2.644 -12.713 1.00 0.00 C ATOM 794 C VAL A 56 -2.582 -1.778 -12.473 1.00 0.00 C ATOM 795 O VAL A 56 -2.481 -0.662 -11.963 1.00 0.00 O ATOM 796 CB VAL A 56 -1.166 -3.597 -11.517 1.00 0.00 C ATOM 797 CG1 VAL A 56 -0.038 -4.581 -11.789 1.00 0.00 C ATOM 798 CG2 VAL A 56 -0.901 -2.808 -10.244 1.00 0.00 C ATOM 0 H VAL A 56 0.068 -1.208 -12.148 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.496 -3.234 -13.618 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.086 -4.165 -11.380 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.079 -5.246 -10.934 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.274 -5.169 -12.676 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.891 -4.034 -11.952 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.773 -3.497 -9.409 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.004 -2.213 -10.366 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.744 -2.147 -10.043 1.00 0.00 H new ATOM 808 N THR A 57 -3.748 -2.300 -12.844 1.00 0.00 N ATOM 809 CA THR A 57 -5.000 -1.575 -12.670 1.00 0.00 C ATOM 810 C THR A 57 -5.600 -1.837 -11.293 1.00 0.00 C ATOM 811 O THR A 57 -5.604 -2.970 -10.812 1.00 0.00 O ATOM 812 CB THR A 57 -6.029 -1.964 -13.748 1.00 0.00 C ATOM 813 OG1 THR A 57 -5.377 -2.120 -15.014 1.00 0.00 O ATOM 814 CG2 THR A 57 -7.120 -0.910 -13.860 1.00 0.00 C ATOM 0 H THR A 57 -3.850 -3.223 -13.267 1.00 0.00 H new ATOM 0 HA THR A 57 -4.767 -0.515 -12.766 1.00 0.00 H new ATOM 0 HB THR A 57 -6.488 -2.909 -13.457 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.038 -2.369 -15.694 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.835 -1.207 -14.627 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.633 -0.815 -12.903 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.675 0.048 -14.130 1.00 0.00 H new ATOM 822 N VAL A 58 -6.106 -0.782 -10.663 1.00 0.00 N ATOM 823 CA VAL A 58 -6.711 -0.898 -9.342 1.00 0.00 C ATOM 824 C VAL A 58 -8.221 -1.083 -9.443 1.00 0.00 C ATOM 825 O VAL A 58 -8.859 -0.580 -10.368 1.00 0.00 O ATOM 826 CB VAL A 58 -6.414 0.342 -8.477 1.00 0.00 C ATOM 827 CG1 VAL A 58 -7.044 0.196 -7.100 1.00 0.00 C ATOM 828 CG2 VAL A 58 -4.913 0.565 -8.365 1.00 0.00 C ATOM 0 H VAL A 58 -6.109 0.163 -11.046 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.271 -1.776 -8.869 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.853 1.215 -8.960 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.824 1.081 -6.503 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -8.124 0.088 -7.203 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.637 -0.686 -6.605 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.721 1.445 -7.751 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.449 -0.307 -7.905 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.493 0.718 -9.359 1.00 0.00 H new ATOM 838 N CYS A 59 -8.788 -1.808 -8.484 1.00 0.00 N ATOM 839 CA CYS A 59 -10.224 -2.061 -8.464 1.00 0.00 C ATOM 840 C CYS A 59 -10.945 -1.033 -7.596 1.00 0.00 C ATOM 841 O CYS A 59 -10.916 -1.112 -6.369 1.00 0.00 O ATOM 842 CB CYS A 59 -10.507 -3.471 -7.944 1.00 0.00 C ATOM 843 SG CYS A 59 -12.250 -3.982 -8.092 1.00 0.00 S ATOM 0 H CYS A 59 -8.275 -2.231 -7.711 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.597 -1.975 -9.485 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -9.884 -4.180 -8.490 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -10.211 -3.527 -6.897 1.00 0.00 H new ATOM 0 HG CYS A 59 -12.311 -5.168 -8.622 1.00 0.00 H new ATOM 848 N MET A 60 -11.590 -0.069 -8.244 1.00 0.00 N ATOM 849 CA MET A 60 -12.320 0.974 -7.532 1.00 0.00 C ATOM 850 C MET A 60 -13.169 0.377 -6.415 1.00 0.00 C ATOM 851 O MET A 60 -13.009 0.727 -5.245 1.00 0.00 O ATOM 852 CB MET A 60 -13.208 1.757 -8.500 1.00 0.00 C ATOM 853 CG MET A 60 -13.668 3.099 -7.954 1.00 0.00 C ATOM 854 SD MET A 60 -12.521 4.436 -8.340 1.00 0.00 S ATOM 855 CE MET A 60 -11.486 4.427 -6.878 1.00 0.00 C ATOM 0 H MET A 60 -11.622 0.012 -9.260 1.00 0.00 H new ATOM 0 HA MET A 60 -11.592 1.653 -7.088 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.662 1.920 -9.429 1.00 0.00 H new ATOM 0 HB3 MET A 60 -14.083 1.155 -8.745 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.649 3.337 -8.365 1.00 0.00 H new ATOM 0 HG3 MET A 60 -13.785 3.026 -6.873 1.00 0.00 H new ATOM 0 HE1 MET A 60 -11.129 5.437 -6.679 1.00 0.00 H new ATOM 0 HE2 MET A 60 -12.064 4.072 -6.025 1.00 0.00 H new ATOM 0 HE3 MET A 60 -10.634 3.766 -7.039 1.00 0.00 H new ATOM 865 N ASP A 61 -14.073 -0.525 -6.782 1.00 0.00 N ATOM 866 CA ASP A 61 -14.947 -1.171 -5.810 1.00 0.00 C ATOM 867 C ASP A 61 -14.150 -1.670 -4.609 1.00 0.00 C ATOM 868 O ASP A 61 -14.385 -1.248 -3.477 1.00 0.00 O ATOM 869 CB ASP A 61 -15.695 -2.336 -6.461 1.00 0.00 C ATOM 870 CG ASP A 61 -16.142 -2.020 -7.875 1.00 0.00 C ATOM 871 OD1 ASP A 61 -15.301 -2.100 -8.794 1.00 0.00 O ATOM 872 OD2 ASP A 61 -17.332 -1.691 -8.062 1.00 0.00 O ATOM 0 H ASP A 61 -14.220 -0.825 -7.746 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.670 -0.433 -5.462 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.051 -3.215 -6.475 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -16.566 -2.588 -5.856 1.00 0.00 H new ATOM 877 N TYR A 62 -13.208 -2.571 -4.864 1.00 0.00 N ATOM 878 CA TYR A 62 -12.378 -3.130 -3.803 1.00 0.00 C ATOM 879 C TYR A 62 -11.930 -2.042 -2.832 1.00 0.00 C ATOM 880 O TYR A 62 -12.069 -2.184 -1.616 1.00 0.00 O ATOM 881 CB TYR A 62 -11.157 -3.832 -4.399 1.00 0.00 C ATOM 882 CG TYR A 62 -10.320 -4.565 -3.374 1.00 0.00 C ATOM 883 CD1 TYR A 62 -10.895 -5.493 -2.515 1.00 0.00 C ATOM 884 CD2 TYR A 62 -8.955 -4.331 -3.267 1.00 0.00 C ATOM 885 CE1 TYR A 62 -10.135 -6.165 -1.577 1.00 0.00 C ATOM 886 CE2 TYR A 62 -8.187 -4.999 -2.333 1.00 0.00 C ATOM 887 CZ TYR A 62 -8.781 -5.914 -1.490 1.00 0.00 C ATOM 888 OH TYR A 62 -8.020 -6.582 -0.559 1.00 0.00 O ATOM 0 H TYR A 62 -13.000 -2.930 -5.796 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.975 -3.858 -3.254 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.490 -4.540 -5.158 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.534 -3.094 -4.904 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.954 -5.693 -2.581 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.486 -3.615 -3.925 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -10.598 -6.883 -0.916 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -7.127 -4.805 -2.264 1.00 0.00 H new ATOM 0 HH TYR A 62 -7.087 -6.291 -0.629 1.00 0.00 H new ATOM 898 N ILE A 63 -11.392 -0.956 -3.376 1.00 0.00 N ATOM 899 CA ILE A 63 -10.925 0.156 -2.559 1.00 0.00 C ATOM 900 C ILE A 63 -12.018 0.640 -1.612 1.00 0.00 C ATOM 901 O ILE A 63 -11.747 1.004 -0.468 1.00 0.00 O ATOM 902 CB ILE A 63 -10.457 1.337 -3.431 1.00 0.00 C ATOM 903 CG1 ILE A 63 -9.324 0.896 -4.360 1.00 0.00 C ATOM 904 CG2 ILE A 63 -10.010 2.497 -2.554 1.00 0.00 C ATOM 905 CD1 ILE A 63 -8.086 0.433 -3.625 1.00 0.00 C ATOM 0 H ILE A 63 -11.269 -0.823 -4.380 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.081 -0.213 -1.977 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.294 1.672 -4.044 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.682 0.088 -4.998 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.059 1.726 -5.015 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.682 3.324 -3.184 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.842 2.824 -1.931 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.185 2.176 -1.918 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.325 0.136 -4.346 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.704 1.246 -3.008 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.336 -0.417 -2.990 1.00 0.00 H new ATOM 917 N LYS A 64 -13.255 0.639 -2.096 1.00 0.00 N ATOM 918 CA LYS A 64 -14.392 1.074 -1.293 1.00 0.00 C ATOM 919 C LYS A 64 -14.672 0.085 -0.165 1.00 0.00 C ATOM 920 O LYS A 64 -15.245 0.446 0.862 1.00 0.00 O ATOM 921 CB LYS A 64 -15.635 1.226 -2.172 1.00 0.00 C ATOM 922 CG LYS A 64 -15.457 2.214 -3.312 1.00 0.00 C ATOM 923 CD LYS A 64 -16.641 2.186 -4.264 1.00 0.00 C ATOM 924 CE LYS A 64 -17.759 3.101 -3.790 1.00 0.00 C ATOM 925 NZ LYS A 64 -18.968 2.992 -4.652 1.00 0.00 N ATOM 0 H LYS A 64 -13.496 0.342 -3.041 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.145 2.040 -0.853 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.899 0.252 -2.584 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -16.472 1.547 -1.551 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.337 3.219 -2.908 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.544 1.979 -3.859 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.317 2.491 -5.259 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -17.016 1.166 -4.350 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -18.022 2.851 -2.762 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.407 4.133 -3.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.707 3.631 -4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -18.723 3.255 -5.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -19.319 2.013 -4.635 1.00 0.00 H new ATOM 939 N GLY A 65 -14.262 -1.164 -0.364 1.00 0.00 N ATOM 940 CA GLY A 65 -14.476 -2.185 0.645 1.00 0.00 C ATOM 941 C GLY A 65 -15.382 -3.299 0.160 1.00 0.00 C ATOM 942 O GLY A 65 -15.379 -4.397 0.716 1.00 0.00 O ATOM 0 H GLY A 65 -13.785 -1.487 -1.206 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.515 -2.606 0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.911 -1.728 1.533 1.00 0.00 H new ATOM 946 N ARG A 66 -16.162 -3.015 -0.879 1.00 0.00 N ATOM 947 CA ARG A 66 -17.080 -4.001 -1.436 1.00 0.00 C ATOM 948 C ARG A 66 -16.891 -4.126 -2.945 1.00 0.00 C ATOM 949 O ARG A 66 -17.333 -3.269 -3.711 1.00 0.00 O ATOM 950 CB ARG A 66 -18.527 -3.617 -1.123 1.00 0.00 C ATOM 951 CG ARG A 66 -18.892 -3.766 0.345 1.00 0.00 C ATOM 952 CD ARG A 66 -19.155 -5.219 0.709 1.00 0.00 C ATOM 953 NE ARG A 66 -19.112 -5.438 2.152 1.00 0.00 N ATOM 954 CZ ARG A 66 -20.138 -5.205 2.962 1.00 0.00 C ATOM 955 NH1 ARG A 66 -21.283 -4.748 2.473 1.00 0.00 N ATOM 956 NH2 ARG A 66 -20.021 -5.430 4.265 1.00 0.00 N ATOM 0 H ARG A 66 -16.176 -2.111 -1.351 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.860 -4.965 -0.977 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.694 -2.584 -1.427 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -19.196 -4.237 -1.720 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -18.084 -3.375 0.963 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -19.778 -3.169 0.563 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -20.131 -5.518 0.326 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -18.414 -5.854 0.224 1.00 0.00 H new ATOM 0 HE ARG A 66 -18.246 -5.789 2.560 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -21.377 -4.575 1.472 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -22.069 -4.570 3.098 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -19.142 -5.782 4.645 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -20.810 -5.251 4.886 1.00 0.00 H new ATOM 970 N CYS A 67 -16.232 -5.200 -3.367 1.00 0.00 N ATOM 971 CA CYS A 67 -15.983 -5.438 -4.784 1.00 0.00 C ATOM 972 C CYS A 67 -17.030 -6.383 -5.368 1.00 0.00 C ATOM 973 O CYS A 67 -16.988 -7.591 -5.136 1.00 0.00 O ATOM 974 CB CYS A 67 -14.584 -6.022 -4.986 1.00 0.00 C ATOM 975 SG CYS A 67 -14.279 -6.659 -6.665 1.00 0.00 S ATOM 0 H CYS A 67 -15.860 -5.920 -2.747 1.00 0.00 H new ATOM 0 HA CYS A 67 -16.049 -4.483 -5.305 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.845 -5.253 -4.761 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -14.432 -6.829 -4.270 1.00 0.00 H new ATOM 0 HG CYS A 67 -13.572 -5.797 -7.334 1.00 0.00 H new ATOM 980 N MET A 68 -17.966 -5.823 -6.127 1.00 0.00 N ATOM 981 CA MET A 68 -19.022 -6.615 -6.746 1.00 0.00 C ATOM 982 C MET A 68 -18.807 -6.727 -8.252 1.00 0.00 C ATOM 983 O MET A 68 -19.372 -7.604 -8.905 1.00 0.00 O ATOM 984 CB MET A 68 -20.390 -5.993 -6.460 1.00 0.00 C ATOM 985 CG MET A 68 -20.527 -4.566 -6.966 1.00 0.00 C ATOM 986 SD MET A 68 -22.124 -3.835 -6.559 1.00 0.00 S ATOM 987 CE MET A 68 -23.021 -4.110 -8.084 1.00 0.00 C ATOM 0 H MET A 68 -18.015 -4.824 -6.328 1.00 0.00 H new ATOM 0 HA MET A 68 -18.989 -7.616 -6.317 1.00 0.00 H new ATOM 0 HB2 MET A 68 -21.163 -6.609 -6.920 1.00 0.00 H new ATOM 0 HB3 MET A 68 -20.569 -6.007 -5.385 1.00 0.00 H new ATOM 0 HG2 MET A 68 -19.732 -3.955 -6.538 1.00 0.00 H new ATOM 0 HG3 MET A 68 -20.391 -4.553 -8.047 1.00 0.00 H new ATOM 0 HE1 MET A 68 -24.031 -3.711 -7.989 1.00 0.00 H new ATOM 0 HE2 MET A 68 -22.508 -3.607 -8.904 1.00 0.00 H new ATOM 0 HE3 MET A 68 -23.071 -5.179 -8.289 1.00 0.00 H new ATOM 997 N ARG A 69 -17.986 -5.834 -8.795 1.00 0.00 N ATOM 998 CA ARG A 69 -17.697 -5.833 -10.224 1.00 0.00 C ATOM 999 C ARG A 69 -17.634 -7.257 -10.768 1.00 0.00 C ATOM 1000 O ARG A 69 -16.614 -7.933 -10.645 1.00 0.00 O ATOM 1001 CB ARG A 69 -16.376 -5.112 -10.499 1.00 0.00 C ATOM 1002 CG ARG A 69 -16.405 -4.240 -11.744 1.00 0.00 C ATOM 1003 CD ARG A 69 -15.015 -4.067 -12.335 1.00 0.00 C ATOM 1004 NE ARG A 69 -15.056 -3.447 -13.657 1.00 0.00 N ATOM 1005 CZ ARG A 69 -15.437 -4.087 -14.756 1.00 0.00 C ATOM 1006 NH1 ARG A 69 -15.810 -5.358 -14.693 1.00 0.00 N ATOM 1007 NH2 ARG A 69 -15.447 -3.455 -15.923 1.00 0.00 N ATOM 0 H ARG A 69 -17.510 -5.103 -8.267 1.00 0.00 H new ATOM 0 HA ARG A 69 -18.504 -5.304 -10.731 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -16.124 -4.493 -9.638 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -15.583 -5.852 -10.603 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -17.065 -4.687 -12.488 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -16.820 -3.263 -11.496 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.410 -3.455 -11.666 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.527 -5.039 -12.405 1.00 0.00 H new ATOM 0 HE ARG A 69 -14.777 -2.469 -13.740 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -15.805 -5.847 -13.798 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -16.102 -5.846 -15.540 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -15.162 -2.477 -15.976 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -15.740 -3.947 -16.767 1.00 0.00 H new ATOM 1021 N GLU A 70 -18.732 -7.705 -11.368 1.00 0.00 N ATOM 1022 CA GLU A 70 -18.801 -9.050 -11.929 1.00 0.00 C ATOM 1023 C GLU A 70 -17.464 -9.451 -12.545 1.00 0.00 C ATOM 1024 O GLU A 70 -16.764 -8.625 -13.131 1.00 0.00 O ATOM 1025 CB GLU A 70 -19.906 -9.130 -12.984 1.00 0.00 C ATOM 1026 CG GLU A 70 -20.012 -10.491 -13.652 1.00 0.00 C ATOM 1027 CD GLU A 70 -21.083 -10.532 -14.725 1.00 0.00 C ATOM 1028 OE1 GLU A 70 -22.214 -10.079 -14.451 1.00 0.00 O ATOM 1029 OE2 GLU A 70 -20.791 -11.018 -15.837 1.00 0.00 O ATOM 0 H GLU A 70 -19.585 -7.157 -11.478 1.00 0.00 H new ATOM 0 HA GLU A 70 -19.031 -9.743 -11.120 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.861 -8.888 -12.517 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -19.724 -8.373 -13.747 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -19.050 -10.751 -14.094 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -20.230 -11.246 -12.897 1.00 0.00 H new ATOM 1036 N LYS A 71 -17.115 -10.726 -12.408 1.00 0.00 N ATOM 1037 CA LYS A 71 -15.863 -11.240 -12.950 1.00 0.00 C ATOM 1038 C LYS A 71 -14.760 -10.189 -12.862 1.00 0.00 C ATOM 1039 O LYS A 71 -13.997 -9.995 -13.809 1.00 0.00 O ATOM 1040 CB LYS A 71 -16.054 -11.674 -14.405 1.00 0.00 C ATOM 1041 CG LYS A 71 -17.024 -12.830 -14.573 1.00 0.00 C ATOM 1042 CD LYS A 71 -16.658 -13.696 -15.767 1.00 0.00 C ATOM 1043 CE LYS A 71 -15.730 -14.833 -15.368 1.00 0.00 C ATOM 1044 NZ LYS A 71 -14.299 -14.423 -15.412 1.00 0.00 N ATOM 0 H LYS A 71 -17.683 -11.423 -11.926 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.566 -12.104 -12.356 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -16.412 -10.823 -14.985 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -15.087 -11.959 -14.820 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -17.027 -13.438 -13.668 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -18.035 -12.442 -14.700 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.565 -14.105 -16.213 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -16.177 -13.083 -16.529 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -15.980 -15.170 -14.362 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.886 -15.680 -16.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -13.696 -15.270 -15.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -14.128 -13.851 -16.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -14.073 -13.862 -14.566 1.00 0.00 H new ATOM 1058 N CYS A 72 -14.681 -9.515 -11.720 1.00 0.00 N ATOM 1059 CA CYS A 72 -13.672 -8.485 -11.508 1.00 0.00 C ATOM 1060 C CYS A 72 -12.288 -8.990 -11.907 1.00 0.00 C ATOM 1061 O CYS A 72 -11.732 -9.883 -11.268 1.00 0.00 O ATOM 1062 CB CYS A 72 -13.662 -8.045 -10.042 1.00 0.00 C ATOM 1063 SG CYS A 72 -12.068 -7.367 -9.480 1.00 0.00 S ATOM 0 H CYS A 72 -15.304 -9.664 -10.927 1.00 0.00 H new ATOM 0 HA CYS A 72 -13.924 -7.630 -12.136 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -14.437 -7.293 -9.894 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -13.923 -8.898 -9.416 1.00 0.00 H new ATOM 0 HG CYS A 72 -12.128 -7.118 -8.205 1.00 0.00 H new ATOM 1068 N LYS A 73 -11.737 -8.411 -12.969 1.00 0.00 N ATOM 1069 CA LYS A 73 -10.418 -8.799 -13.454 1.00 0.00 C ATOM 1070 C LYS A 73 -9.384 -7.724 -13.138 1.00 0.00 C ATOM 1071 O LYS A 73 -8.444 -7.508 -13.903 1.00 0.00 O ATOM 1072 CB LYS A 73 -10.461 -9.052 -14.963 1.00 0.00 C ATOM 1073 CG LYS A 73 -10.930 -7.852 -15.767 1.00 0.00 C ATOM 1074 CD LYS A 73 -10.919 -8.142 -17.259 1.00 0.00 C ATOM 1075 CE LYS A 73 -11.836 -7.194 -18.018 1.00 0.00 C ATOM 1076 NZ LYS A 73 -11.320 -5.797 -18.007 1.00 0.00 N ATOM 0 H LYS A 73 -12.184 -7.671 -13.510 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.128 -9.718 -12.945 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.466 -9.341 -15.303 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.123 -9.894 -15.163 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.938 -7.576 -15.456 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.286 -6.998 -15.557 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.902 -8.050 -17.641 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.233 -9.171 -17.433 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.939 -7.535 -19.048 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.831 -7.217 -17.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.972 -5.182 -18.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.246 -5.462 -17.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -10.381 -5.770 -18.454 1.00 0.00 H new ATOM 1090 N TYR A 74 -9.562 -7.053 -12.005 1.00 0.00 N ATOM 1091 CA TYR A 74 -8.645 -5.999 -11.588 1.00 0.00 C ATOM 1092 C TYR A 74 -7.741 -6.480 -10.457 1.00 0.00 C ATOM 1093 O TYR A 74 -8.067 -7.432 -9.748 1.00 0.00 O ATOM 1094 CB TYR A 74 -9.425 -4.761 -11.142 1.00 0.00 C ATOM 1095 CG TYR A 74 -10.131 -4.050 -12.275 1.00 0.00 C ATOM 1096 CD1 TYR A 74 -11.022 -4.728 -13.098 1.00 0.00 C ATOM 1097 CD2 TYR A 74 -9.907 -2.702 -12.522 1.00 0.00 C ATOM 1098 CE1 TYR A 74 -11.669 -4.083 -14.134 1.00 0.00 C ATOM 1099 CE2 TYR A 74 -10.551 -2.048 -13.555 1.00 0.00 C ATOM 1100 CZ TYR A 74 -11.430 -2.743 -14.358 1.00 0.00 C ATOM 1101 OH TYR A 74 -12.073 -2.096 -15.389 1.00 0.00 O ATOM 0 H TYR A 74 -10.333 -7.221 -11.359 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.020 -5.737 -12.442 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.161 -5.056 -10.394 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.740 -4.065 -10.658 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.212 -5.777 -12.925 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -9.217 -2.155 -11.896 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -12.358 -4.625 -14.765 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -10.367 -0.999 -13.732 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.795 -1.157 -15.410 1.00 0.00 H new ATOM 1111 N PHE A 75 -6.604 -5.812 -10.293 1.00 0.00 N ATOM 1112 CA PHE A 75 -5.651 -6.170 -9.248 1.00 0.00 C ATOM 1113 C PHE A 75 -6.124 -5.668 -7.886 1.00 0.00 C ATOM 1114 O PHE A 75 -6.638 -4.556 -7.766 1.00 0.00 O ATOM 1115 CB PHE A 75 -4.271 -5.591 -9.566 1.00 0.00 C ATOM 1116 CG PHE A 75 -3.281 -5.752 -8.448 1.00 0.00 C ATOM 1117 CD1 PHE A 75 -2.535 -6.912 -8.327 1.00 0.00 C ATOM 1118 CD2 PHE A 75 -3.098 -4.742 -7.517 1.00 0.00 C ATOM 1119 CE1 PHE A 75 -1.623 -7.063 -7.299 1.00 0.00 C ATOM 1120 CE2 PHE A 75 -2.188 -4.887 -6.487 1.00 0.00 C ATOM 1121 CZ PHE A 75 -1.450 -6.049 -6.378 1.00 0.00 C ATOM 0 H PHE A 75 -6.320 -5.020 -10.870 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.581 -7.257 -9.211 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.879 -6.076 -10.460 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.375 -4.531 -9.798 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.667 -7.709 -9.044 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.673 -3.831 -7.597 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -1.047 -7.973 -7.216 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.054 -4.092 -5.768 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.739 -6.164 -5.574 1.00 0.00 H new ATOM 1131 N HIS A 76 -5.947 -6.498 -6.863 1.00 0.00 N ATOM 1132 CA HIS A 76 -6.355 -6.139 -5.509 1.00 0.00 C ATOM 1133 C HIS A 76 -5.139 -5.947 -4.608 1.00 0.00 C ATOM 1134 O HIS A 76 -4.528 -6.906 -4.137 1.00 0.00 O ATOM 1135 CB HIS A 76 -7.271 -7.217 -4.927 1.00 0.00 C ATOM 1136 CG HIS A 76 -8.712 -7.042 -5.296 1.00 0.00 C ATOM 1137 ND1 HIS A 76 -9.750 -7.359 -4.445 1.00 0.00 N ATOM 1138 CD2 HIS A 76 -9.285 -6.579 -6.431 1.00 0.00 C ATOM 1139 CE1 HIS A 76 -10.900 -7.099 -5.042 1.00 0.00 C ATOM 1140 NE2 HIS A 76 -10.645 -6.624 -6.248 1.00 0.00 N ATOM 0 H HIS A 76 -5.524 -7.423 -6.945 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.901 -5.197 -5.558 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -6.932 -8.194 -5.271 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -7.179 -7.212 -3.841 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -9.646 -7.735 -3.503 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -8.769 -6.238 -7.316 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -11.881 -7.249 -4.616 1.00 0.00 H new ATOM 1148 N PRO A 77 -4.779 -4.679 -4.362 1.00 0.00 N ATOM 1149 CA PRO A 77 -3.633 -4.332 -3.516 1.00 0.00 C ATOM 1150 C PRO A 77 -3.880 -4.650 -2.045 1.00 0.00 C ATOM 1151 O PRO A 77 -5.006 -4.918 -1.624 1.00 0.00 O ATOM 1152 CB PRO A 77 -3.487 -2.822 -3.719 1.00 0.00 C ATOM 1153 CG PRO A 77 -4.848 -2.358 -4.108 1.00 0.00 C ATOM 1154 CD PRO A 77 -5.462 -3.486 -4.890 1.00 0.00 C ATOM 0 HA PRO A 77 -2.742 -4.900 -3.784 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.147 -2.331 -2.807 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.755 -2.596 -4.494 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.446 -2.122 -3.228 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.794 -1.450 -4.709 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.540 -3.540 -4.738 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.296 -3.369 -5.961 1.00 0.00 H new ATOM 1162 N PRO A 78 -2.806 -4.619 -1.244 1.00 0.00 N ATOM 1163 CA PRO A 78 -2.882 -4.901 0.193 1.00 0.00 C ATOM 1164 C PRO A 78 -3.608 -3.802 0.961 1.00 0.00 C ATOM 1165 O PRO A 78 -4.055 -2.815 0.378 1.00 0.00 O ATOM 1166 CB PRO A 78 -1.413 -4.969 0.619 1.00 0.00 C ATOM 1167 CG PRO A 78 -0.689 -4.138 -0.382 1.00 0.00 C ATOM 1168 CD PRO A 78 -1.434 -4.306 -1.677 1.00 0.00 C ATOM 0 HA PRO A 78 -3.443 -5.812 0.401 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.275 -4.582 1.629 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.048 -5.996 0.619 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.667 -3.092 -0.078 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.347 -4.463 -0.483 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.400 -3.399 -2.280 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.011 -5.108 -2.283 1.00 0.00 H new ATOM 1176 N ALA A 79 -3.722 -3.980 2.274 1.00 0.00 N ATOM 1177 CA ALA A 79 -4.392 -3.002 3.122 1.00 0.00 C ATOM 1178 C ALA A 79 -3.623 -1.685 3.154 1.00 0.00 C ATOM 1179 O ALA A 79 -4.118 -0.655 2.696 1.00 0.00 O ATOM 1180 CB ALA A 79 -4.559 -3.552 4.531 1.00 0.00 C ATOM 0 H ALA A 79 -3.359 -4.792 2.773 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.378 -2.807 2.700 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.061 -2.811 5.154 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.157 -4.463 4.498 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.579 -3.776 4.952 1.00 0.00 H new ATOM 1186 N HIS A 80 -2.412 -1.725 3.699 1.00 0.00 N ATOM 1187 CA HIS A 80 -1.575 -0.534 3.791 1.00 0.00 C ATOM 1188 C HIS A 80 -1.718 0.328 2.541 1.00 0.00 C ATOM 1189 O HIS A 80 -1.798 1.555 2.626 1.00 0.00 O ATOM 1190 CB HIS A 80 -0.111 -0.928 3.988 1.00 0.00 C ATOM 1191 CG HIS A 80 0.429 -1.795 2.892 1.00 0.00 C ATOM 1192 ND1 HIS A 80 1.061 -1.474 1.739 1.00 0.00 N flip ATOM 1193 CD2 HIS A 80 0.346 -3.171 2.912 1.00 0.00 C flip ATOM 1194 CE1 HIS A 80 1.346 -2.650 1.090 1.00 0.00 C flip ATOM 1195 NE2 HIS A 80 0.904 -3.659 1.818 1.00 0.00 N flip ATOM 0 H HIS A 80 -1.988 -2.569 4.084 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.906 0.047 4.652 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.494 -0.024 4.056 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.009 -1.452 4.938 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.105 -3.758 3.699 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.850 -2.736 0.139 1.00 0.00 H new ATOM 0 HE2 HIS A 80 0.980 -4.647 1.577 1.00 0.00 H new ATOM 1203 N LEU A 81 -1.750 -0.319 1.382 1.00 0.00 N ATOM 1204 CA LEU A 81 -1.883 0.389 0.113 1.00 0.00 C ATOM 1205 C LEU A 81 -3.320 0.851 -0.104 1.00 0.00 C ATOM 1206 O LEU A 81 -3.576 2.038 -0.307 1.00 0.00 O ATOM 1207 CB LEU A 81 -1.444 -0.511 -1.044 1.00 0.00 C ATOM 1208 CG LEU A 81 0.044 -0.479 -1.392 1.00 0.00 C ATOM 1209 CD1 LEU A 81 0.383 -1.575 -2.391 1.00 0.00 C ATOM 1210 CD2 LEU A 81 0.434 0.885 -1.942 1.00 0.00 C ATOM 0 H LEU A 81 -1.686 -1.333 1.294 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.239 1.268 0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.718 -1.538 -0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.010 -0.230 -1.932 1.00 0.00 H new ATOM 0 HG LEU A 81 0.614 -0.658 -0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.447 -1.536 -2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.142 -2.547 -1.961 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.196 -1.428 -3.303 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.497 0.889 -2.184 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.144 1.093 -2.842 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.229 1.651 -1.194 1.00 0.00 H new ATOM 1222 N GLN A 82 -4.254 -0.093 -0.058 1.00 0.00 N ATOM 1223 CA GLN A 82 -5.665 0.218 -0.248 1.00 0.00 C ATOM 1224 C GLN A 82 -6.005 1.584 0.340 1.00 0.00 C ATOM 1225 O GLN A 82 -6.809 2.329 -0.219 1.00 0.00 O ATOM 1226 CB GLN A 82 -6.539 -0.859 0.396 1.00 0.00 C ATOM 1227 CG GLN A 82 -6.868 -2.014 -0.537 1.00 0.00 C ATOM 1228 CD GLN A 82 -7.802 -3.027 0.095 1.00 0.00 C ATOM 1229 OE1 GLN A 82 -9.017 -2.973 -0.096 1.00 0.00 O ATOM 1230 NE2 GLN A 82 -7.237 -3.960 0.853 1.00 0.00 N ATOM 0 H GLN A 82 -4.059 -1.080 0.109 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.864 0.243 -1.319 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -6.030 -1.249 1.278 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.468 -0.404 0.739 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.324 -1.623 -1.446 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.944 -2.512 -0.832 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.225 -3.967 0.984 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.815 -4.669 1.304 1.00 0.00 H new ATOM 1239 N ALA A 83 -5.388 1.905 1.472 1.00 0.00 N ATOM 1240 CA ALA A 83 -5.624 3.182 2.135 1.00 0.00 C ATOM 1241 C ALA A 83 -5.033 4.335 1.331 1.00 0.00 C ATOM 1242 O ALA A 83 -5.710 5.328 1.061 1.00 0.00 O ATOM 1243 CB ALA A 83 -5.041 3.162 3.540 1.00 0.00 C ATOM 0 H ALA A 83 -4.721 1.299 1.949 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.701 3.335 2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.224 4.121 4.024 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.513 2.368 4.119 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.967 2.982 3.486 1.00 0.00 H new ATOM 1249 N LYS A 84 -3.767 4.199 0.953 1.00 0.00 N ATOM 1250 CA LYS A 84 -3.084 5.230 0.179 1.00 0.00 C ATOM 1251 C LYS A 84 -4.020 5.840 -0.860 1.00 0.00 C ATOM 1252 O LYS A 84 -3.921 7.025 -1.177 1.00 0.00 O ATOM 1253 CB LYS A 84 -1.850 4.644 -0.511 1.00 0.00 C ATOM 1254 CG LYS A 84 -0.642 4.523 0.402 1.00 0.00 C ATOM 1255 CD LYS A 84 0.658 4.577 -0.383 1.00 0.00 C ATOM 1256 CE LYS A 84 1.819 5.024 0.492 1.00 0.00 C ATOM 1257 NZ LYS A 84 3.115 4.976 -0.239 1.00 0.00 N ATOM 0 H LYS A 84 -3.192 3.385 1.170 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.770 6.017 0.865 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.098 3.658 -0.904 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.589 5.271 -1.364 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.658 5.328 1.137 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.695 3.585 0.955 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.873 3.593 -0.801 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.549 5.263 -1.223 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.638 6.040 0.844 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.876 4.386 1.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.881 5.288 0.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.300 4.002 -0.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.070 5.604 -1.067 1.00 0.00 H new ATOM 1271 N ILE A 85 -4.926 5.023 -1.385 1.00 0.00 N ATOM 1272 CA ILE A 85 -5.881 5.483 -2.385 1.00 0.00 C ATOM 1273 C ILE A 85 -7.110 6.102 -1.729 1.00 0.00 C ATOM 1274 O ILE A 85 -7.569 7.173 -2.128 1.00 0.00 O ATOM 1275 CB ILE A 85 -6.328 4.334 -3.308 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -5.116 3.697 -3.989 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -7.319 4.842 -4.344 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -4.501 2.565 -3.195 1.00 0.00 C ATOM 0 H ILE A 85 -5.019 4.039 -1.134 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.372 6.240 -2.982 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.822 3.573 -2.704 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.415 3.323 -4.968 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.360 4.464 -4.158 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.626 4.018 -4.989 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.194 5.253 -3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.849 5.619 -4.947 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.647 2.161 -3.739 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.171 2.938 -2.226 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.242 1.779 -3.048 1.00 0.00 H new ATOM 1290 N LYS A 86 -7.640 5.421 -0.718 1.00 0.00 N ATOM 1291 CA LYS A 86 -8.815 5.903 -0.002 1.00 0.00 C ATOM 1292 C LYS A 86 -8.651 7.369 0.388 1.00 0.00 C ATOM 1293 O LYS A 86 -9.605 8.144 0.340 1.00 0.00 O ATOM 1294 CB LYS A 86 -9.060 5.056 1.248 1.00 0.00 C ATOM 1295 CG LYS A 86 -9.507 3.637 0.943 1.00 0.00 C ATOM 1296 CD LYS A 86 -10.407 3.088 2.038 1.00 0.00 C ATOM 1297 CE LYS A 86 -10.275 1.578 2.163 1.00 0.00 C ATOM 1298 NZ LYS A 86 -9.065 1.190 2.940 1.00 0.00 N ATOM 0 H LYS A 86 -7.274 4.533 -0.376 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.675 5.816 -0.666 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.144 5.021 1.838 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.817 5.542 1.863 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.038 3.618 -0.009 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.633 2.995 0.833 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.152 3.556 2.989 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.444 3.347 1.822 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.163 1.175 2.649 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.226 1.134 1.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.011 0.153 3.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.215 1.553 2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.123 1.592 3.897 1.00 0.00 H new ATOM 1312 N ALA A 87 -7.434 7.741 0.772 1.00 0.00 N ATOM 1313 CA ALA A 87 -7.145 9.114 1.167 1.00 0.00 C ATOM 1314 C ALA A 87 -7.452 10.087 0.034 1.00 0.00 C ATOM 1315 O ALA A 87 -8.303 10.965 0.170 1.00 0.00 O ATOM 1316 CB ALA A 87 -5.692 9.244 1.598 1.00 0.00 C ATOM 0 H ALA A 87 -6.633 7.111 0.818 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.787 9.366 2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.490 10.274 1.890 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.503 8.583 2.444 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.040 8.968 0.769 1.00 0.00 H new