USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 510 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00811 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 67:sc= -1.28! USER MOD Single : A 29 ASN :FLIP amide:sc= -2.08 F(o=-3.1!,f=-2.1) USER MOD Single : A 34 ASN : amide:sc= -4.63! C(o=-4.6!,f=-12!) USER MOD Single : A 37 GLN :FLIP amide:sc= -1.74! C(o=-7.5!,f=-1.7!) USER MOD Single : A 38 GLN :FLIP amide:sc= -13.2! C(o=-15!,f=-13!) USER MOD Single : A 40 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.41) USER MOD Single : A 43 ASN : amide:sc= 0.13! K(o=0.13!,f=-0.91) USER MOD Single : A 48 TYR OH : rot -153:sc= -0.275 USER MOD Single : A 50 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0621) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.549 K(o=-0.55,f=-3.1!) USER MOD Single : A 56 ASN : amide:sc= -3.14 X(o=-3.1,f=-3.6) USER MOD Single : A 59 GLN :FLIP amide:sc= -0.0925 F(o=-1.8!,f=-0.093) USER MOD Single : A 61 MET CE :methyl -179:sc= -3.5! (180deg=-3.56!) USER MOD Single : A 62 SER OG : rot 72:sc= 1.25 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.485 USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 69 GLN : amide:sc= -12! C(o=-12!,f=-12!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -0.0142 X(o=-0.014,f=-0.0013) USER MOD Single : A 78 THR OG1 : rot -57:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 196 N VAL A 14 -7.094 8.337 -0.153 1.00 0.00 N ATOM 197 CA VAL A 14 -7.166 8.588 -1.589 1.00 0.00 C ATOM 198 C VAL A 14 -5.984 9.441 -2.061 1.00 0.00 C ATOM 199 O VAL A 14 -5.462 9.234 -3.157 1.00 0.00 O ATOM 200 CB VAL A 14 -8.504 9.254 -1.992 1.00 0.00 C ATOM 201 CG1 VAL A 14 -8.396 9.927 -3.343 1.00 0.00 C ATOM 202 CG2 VAL A 14 -9.623 8.223 -2.022 1.00 0.00 C ATOM 0 HA VAL A 14 -7.114 7.618 -2.083 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.734 10.014 -1.245 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.351 10.386 -3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.623 10.695 -3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.136 9.186 -4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.557 8.708 -2.307 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.382 7.445 -2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.733 7.777 -1.034 1.00 0.00 H new ATOM 212 N THR A 15 -5.550 10.397 -1.245 1.00 0.00 N ATOM 213 CA THR A 15 -4.314 11.104 -1.545 1.00 0.00 C ATOM 214 C THR A 15 -3.156 10.118 -1.485 1.00 0.00 C ATOM 215 O THR A 15 -2.278 10.090 -2.354 1.00 0.00 O ATOM 216 CB THR A 15 -4.062 12.284 -0.588 1.00 0.00 C ATOM 217 OG1 THR A 15 -4.448 11.936 0.746 1.00 0.00 O ATOM 218 CG2 THR A 15 -4.824 13.516 -1.042 1.00 0.00 C ATOM 0 H THR A 15 -6.024 10.693 -0.392 1.00 0.00 H new ATOM 0 HA THR A 15 -4.401 11.528 -2.545 1.00 0.00 H new ATOM 0 HB THR A 15 -2.996 12.509 -0.601 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.281 12.695 1.343 1.00 0.00 H new ATOM 0 HG21 THR A 15 -4.632 14.338 -0.352 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.496 13.798 -2.043 1.00 0.00 H new ATOM 0 HG23 THR A 15 -5.892 13.298 -1.058 1.00 0.00 H new ATOM 226 N GLU A 16 -3.174 9.273 -0.471 1.00 0.00 N ATOM 227 CA GLU A 16 -2.239 8.176 -0.417 1.00 0.00 C ATOM 228 C GLU A 16 -2.538 7.160 -1.509 1.00 0.00 C ATOM 229 O GLU A 16 -1.631 6.518 -1.990 1.00 0.00 O ATOM 230 CB GLU A 16 -2.225 7.509 0.955 1.00 0.00 C ATOM 231 CG GLU A 16 -1.286 8.190 1.934 1.00 0.00 C ATOM 232 CD GLU A 16 -1.256 7.511 3.284 1.00 0.00 C ATOM 233 OE1 GLU A 16 -0.653 6.422 3.396 1.00 0.00 O ATOM 234 OE2 GLU A 16 -1.849 8.050 4.236 1.00 0.00 O ATOM 0 H GLU A 16 -3.820 9.327 0.316 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.244 8.586 -0.589 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.235 7.513 1.365 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.930 6.466 0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.279 8.203 1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -1.592 9.229 2.061 1.00 0.00 H new ATOM 241 N LEU A 17 -3.805 7.018 -1.909 1.00 0.00 N ATOM 242 CA LEU A 17 -4.157 6.152 -3.035 1.00 0.00 C ATOM 243 C LEU A 17 -3.302 6.469 -4.256 1.00 0.00 C ATOM 244 O LEU A 17 -2.638 5.590 -4.803 1.00 0.00 O ATOM 245 CB LEU A 17 -5.629 6.307 -3.407 1.00 0.00 C ATOM 246 CG LEU A 17 -6.460 5.034 -3.326 1.00 0.00 C ATOM 247 CD1 LEU A 17 -7.904 5.313 -3.710 1.00 0.00 C ATOM 248 CD2 LEU A 17 -5.865 3.948 -4.212 1.00 0.00 C ATOM 0 H LEU A 17 -4.598 7.488 -1.473 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.971 5.125 -2.721 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.075 7.054 -2.751 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.690 6.697 -4.423 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.444 4.678 -2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.482 4.391 -3.646 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.325 6.053 -3.030 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.942 5.695 -4.730 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.473 3.046 -4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.846 4.292 -5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.849 3.727 -3.885 1.00 0.00 H new ATOM 260 N GLU A 18 -3.313 7.731 -4.671 1.00 0.00 N ATOM 261 CA GLU A 18 -2.532 8.157 -5.825 1.00 0.00 C ATOM 262 C GLU A 18 -1.037 8.095 -5.516 1.00 0.00 C ATOM 263 O GLU A 18 -0.216 7.928 -6.417 1.00 0.00 O ATOM 264 CB GLU A 18 -2.939 9.567 -6.274 1.00 0.00 C ATOM 265 CG GLU A 18 -2.904 10.601 -5.162 1.00 0.00 C ATOM 266 CD GLU A 18 -3.309 11.985 -5.622 1.00 0.00 C ATOM 267 OE1 GLU A 18 -4.493 12.180 -5.968 1.00 0.00 O ATOM 268 OE2 GLU A 18 -2.446 12.886 -5.640 1.00 0.00 O ATOM 0 H GLU A 18 -3.852 8.474 -4.227 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.740 7.471 -6.646 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.275 9.888 -7.076 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.946 9.529 -6.690 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.568 10.283 -4.358 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.898 10.644 -4.746 1.00 0.00 H new ATOM 275 N CYS A 19 -0.690 8.195 -4.238 1.00 0.00 N ATOM 276 CA CYS A 19 0.703 8.100 -3.823 1.00 0.00 C ATOM 277 C CYS A 19 1.095 6.648 -3.565 1.00 0.00 C ATOM 278 O CYS A 19 2.227 6.362 -3.197 1.00 0.00 O ATOM 279 CB CYS A 19 0.973 8.976 -2.599 1.00 0.00 C ATOM 280 SG CYS A 19 0.831 10.762 -2.952 1.00 0.00 S ATOM 0 H CYS A 19 -1.351 8.341 -3.475 1.00 0.00 H new ATOM 0 HA CYS A 19 1.325 8.473 -4.637 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.271 8.711 -1.808 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.974 8.765 -2.222 1.00 0.00 H new ATOM 285 N ILE A 20 0.127 5.749 -3.696 1.00 0.00 N ATOM 286 CA ILE A 20 0.398 4.313 -3.746 1.00 0.00 C ATOM 287 C ILE A 20 0.440 3.844 -5.202 1.00 0.00 C ATOM 288 O ILE A 20 1.217 2.964 -5.570 1.00 0.00 O ATOM 289 CB ILE A 20 -0.666 3.479 -2.988 1.00 0.00 C ATOM 290 CG1 ILE A 20 -0.718 3.847 -1.502 1.00 0.00 C ATOM 291 CG2 ILE A 20 -0.369 1.994 -3.137 1.00 0.00 C ATOM 292 CD1 ILE A 20 -1.919 3.265 -0.782 1.00 0.00 C ATOM 0 H ILE A 20 -0.861 5.990 -3.770 1.00 0.00 H new ATOM 0 HA ILE A 20 1.360 4.156 -3.258 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.638 3.705 -3.427 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.193 3.497 -1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.735 4.932 -1.404 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.122 1.417 -2.601 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.388 1.723 -4.193 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.616 1.777 -2.724 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.895 3.564 0.266 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.834 3.635 -1.244 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.892 2.177 -0.850 1.00 0.00 H new ATOM 304 N ARG A 21 -0.391 4.462 -6.035 1.00 0.00 N ATOM 305 CA ARG A 21 -0.526 4.052 -7.435 1.00 0.00 C ATOM 306 C ARG A 21 0.522 4.725 -8.296 1.00 0.00 C ATOM 307 O ARG A 21 0.612 4.473 -9.497 1.00 0.00 O ATOM 308 CB ARG A 21 -1.908 4.380 -7.993 1.00 0.00 C ATOM 309 CG ARG A 21 -3.052 3.645 -7.313 1.00 0.00 C ATOM 310 CD ARG A 21 -4.383 3.912 -8.005 1.00 0.00 C ATOM 311 NE ARG A 21 -4.698 5.340 -8.078 1.00 0.00 N ATOM 312 CZ ARG A 21 -5.905 5.854 -7.831 1.00 0.00 C ATOM 313 NH1 ARG A 21 -6.921 5.057 -7.516 1.00 0.00 N ATOM 314 NH2 ARG A 21 -6.101 7.168 -7.914 1.00 0.00 N ATOM 0 H ARG A 21 -0.983 5.249 -5.768 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.386 2.971 -7.460 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.077 5.453 -7.903 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.922 4.144 -9.057 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -2.849 2.574 -7.315 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.115 3.955 -6.270 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.355 3.497 -9.013 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.178 3.394 -7.469 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.948 5.982 -8.334 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.780 4.048 -7.462 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.841 5.454 -7.328 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.328 7.784 -8.167 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.024 7.559 -7.725 1.00 0.00 H new ATOM 328 N LEU A 22 1.307 5.582 -7.667 1.00 0.00 N ATOM 329 CA LEU A 22 2.350 6.352 -8.334 1.00 0.00 C ATOM 330 C LEU A 22 3.494 5.464 -8.848 1.00 0.00 C ATOM 331 O LEU A 22 4.573 5.963 -9.170 1.00 0.00 O ATOM 332 CB LEU A 22 2.867 7.446 -7.368 1.00 0.00 C ATOM 333 CG LEU A 22 3.734 7.024 -6.151 1.00 0.00 C ATOM 334 CD1 LEU A 22 3.427 5.614 -5.642 1.00 0.00 C ATOM 335 CD2 LEU A 22 5.216 7.184 -6.461 1.00 0.00 C ATOM 0 H LEU A 22 1.240 5.767 -6.666 1.00 0.00 H new ATOM 0 HA LEU A 22 1.921 6.824 -9.217 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.448 8.157 -7.956 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.000 7.983 -6.984 1.00 0.00 H new ATOM 0 HG LEU A 22 3.468 7.700 -5.338 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.069 5.386 -4.791 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.383 5.558 -5.334 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.609 4.892 -6.438 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.804 6.882 -5.594 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.479 6.558 -7.313 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.428 8.227 -6.698 1.00 0.00 H new ATOM 347 N ARG A 23 3.235 4.152 -8.916 1.00 0.00 N ATOM 348 CA ARG A 23 4.225 3.136 -9.309 1.00 0.00 C ATOM 349 C ARG A 23 5.268 2.922 -8.208 1.00 0.00 C ATOM 350 O ARG A 23 5.856 1.846 -8.098 1.00 0.00 O ATOM 351 CB ARG A 23 4.916 3.500 -10.630 1.00 0.00 C ATOM 352 CG ARG A 23 5.765 2.378 -11.202 1.00 0.00 C ATOM 353 CD ARG A 23 4.915 1.171 -11.565 1.00 0.00 C ATOM 354 NE ARG A 23 5.729 0.045 -12.016 1.00 0.00 N ATOM 355 CZ ARG A 23 5.384 -0.772 -13.007 1.00 0.00 C ATOM 356 NH1 ARG A 23 4.225 -0.613 -13.631 1.00 0.00 N ATOM 357 NH2 ARG A 23 6.186 -1.771 -13.355 1.00 0.00 N ATOM 0 H ARG A 23 2.320 3.759 -8.697 1.00 0.00 H new ATOM 0 HA ARG A 23 3.682 2.203 -9.457 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.158 3.780 -11.362 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.545 4.376 -10.472 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.292 2.733 -12.087 1.00 0.00 H new ATOM 0 HG3 ARG A 23 6.523 2.086 -10.475 1.00 0.00 H new ATOM 0 HD2 ARG A 23 4.326 0.869 -10.699 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.210 1.446 -12.350 1.00 0.00 H new ATOM 0 HE ARG A 23 6.616 -0.125 -11.542 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.594 0.138 -13.351 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.964 -1.242 -14.391 1.00 0.00 H new ATOM 0 HH21 ARG A 23 7.068 -1.913 -12.862 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.920 -2.397 -14.115 1.00 0.00 H new ATOM 371 N ILE A 24 5.463 3.955 -7.394 1.00 0.00 N ATOM 372 CA ILE A 24 6.396 3.938 -6.275 1.00 0.00 C ATOM 373 C ILE A 24 7.825 3.790 -6.793 1.00 0.00 C ATOM 374 O ILE A 24 8.316 4.665 -7.503 1.00 0.00 O ATOM 375 CB ILE A 24 6.073 2.822 -5.247 1.00 0.00 C ATOM 376 CG1 ILE A 24 4.555 2.722 -4.998 1.00 0.00 C ATOM 377 CG2 ILE A 24 6.813 3.062 -3.944 1.00 0.00 C ATOM 378 CD1 ILE A 24 4.101 3.157 -3.614 1.00 0.00 C ATOM 0 H ILE A 24 4.969 4.841 -7.496 1.00 0.00 H new ATOM 0 HA ILE A 24 6.293 4.888 -5.750 1.00 0.00 H new ATOM 0 HB ILE A 24 6.410 1.873 -5.664 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.039 3.330 -5.741 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.243 1.690 -5.159 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.572 2.268 -3.237 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.887 3.068 -4.131 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.512 4.023 -3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.019 3.051 -3.536 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.582 2.534 -2.861 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.376 4.199 -3.452 1.00 0.00 H new ATOM 390 N SER A 25 8.467 2.681 -6.450 1.00 0.00 N ATOM 391 CA SER A 25 9.820 2.386 -6.894 1.00 0.00 C ATOM 392 C SER A 25 10.264 1.022 -6.320 1.00 0.00 C ATOM 393 O SER A 25 10.675 0.136 -7.070 1.00 0.00 O ATOM 394 CB SER A 25 10.802 3.505 -6.503 1.00 0.00 C ATOM 395 OG SER A 25 12.032 3.394 -7.199 1.00 0.00 O ATOM 0 H SER A 25 8.061 1.959 -5.854 1.00 0.00 H new ATOM 0 HA SER A 25 9.826 2.331 -7.983 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.351 4.474 -6.715 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.987 3.467 -5.430 1.00 0.00 H new ATOM 0 HG SER A 25 12.629 4.122 -6.926 1.00 0.00 H new ATOM 401 N PRO A 26 10.198 0.850 -4.969 1.00 0.00 N ATOM 402 CA PRO A 26 10.467 -0.438 -4.273 1.00 0.00 C ATOM 403 C PRO A 26 9.636 -1.648 -4.756 1.00 0.00 C ATOM 404 O PRO A 26 9.017 -1.622 -5.818 1.00 0.00 O ATOM 405 CB PRO A 26 10.075 -0.099 -2.832 1.00 0.00 C ATOM 406 CG PRO A 26 10.424 1.326 -2.701 1.00 0.00 C ATOM 407 CD PRO A 26 9.949 1.926 -3.981 1.00 0.00 C ATOM 0 HA PRO A 26 11.495 -0.758 -4.443 1.00 0.00 H new ATOM 0 HB2 PRO A 26 9.013 -0.269 -2.655 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.620 -0.712 -2.114 1.00 0.00 H new ATOM 0 HG2 PRO A 26 9.934 1.781 -1.840 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.497 1.465 -2.568 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.893 2.193 -3.934 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.497 2.835 -4.228 1.00 0.00 H new ATOM 415 N GLU A 27 9.619 -2.709 -3.930 1.00 0.00 N ATOM 416 CA GLU A 27 8.862 -3.949 -4.212 1.00 0.00 C ATOM 417 C GLU A 27 7.360 -3.732 -4.235 1.00 0.00 C ATOM 418 O GLU A 27 6.601 -4.687 -4.386 1.00 0.00 O ATOM 419 CB GLU A 27 9.183 -5.053 -3.209 1.00 0.00 C ATOM 420 CG GLU A 27 10.643 -5.428 -3.223 1.00 0.00 C ATOM 421 CD GLU A 27 10.946 -6.695 -2.462 1.00 0.00 C ATOM 422 OE1 GLU A 27 10.427 -7.754 -2.854 1.00 0.00 O ATOM 423 OE2 GLU A 27 11.727 -6.640 -1.492 1.00 0.00 O ATOM 0 H GLU A 27 10.129 -2.734 -3.047 1.00 0.00 H new ATOM 0 HA GLU A 27 9.182 -4.257 -5.208 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.904 -4.725 -2.208 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.581 -5.933 -3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.970 -5.547 -4.256 1.00 0.00 H new ATOM 0 HG3 GLU A 27 11.224 -4.610 -2.797 1.00 0.00 H new ATOM 430 N THR A 28 6.955 -2.493 -4.016 1.00 0.00 N ATOM 431 CA THR A 28 5.561 -2.080 -4.047 1.00 0.00 C ATOM 432 C THR A 28 4.713 -2.870 -5.050 1.00 0.00 C ATOM 433 O THR A 28 3.647 -3.368 -4.703 1.00 0.00 O ATOM 434 CB THR A 28 5.487 -0.589 -4.420 1.00 0.00 C ATOM 435 OG1 THR A 28 4.128 -0.159 -4.513 1.00 0.00 O ATOM 436 CG2 THR A 28 6.182 -0.347 -5.743 1.00 0.00 C ATOM 0 H THR A 28 7.599 -1.730 -3.807 1.00 0.00 H new ATOM 0 HA THR A 28 5.156 -2.272 -3.054 1.00 0.00 H new ATOM 0 HB THR A 28 5.986 -0.018 -3.637 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.715 -0.186 -3.625 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.123 0.711 -5.997 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.228 -0.644 -5.664 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.696 -0.934 -6.522 1.00 0.00 H new ATOM 444 N ASN A 29 5.212 -3.029 -6.268 1.00 0.00 N ATOM 445 CA ASN A 29 4.409 -3.588 -7.331 1.00 0.00 C ATOM 446 C ASN A 29 4.186 -5.057 -7.064 1.00 0.00 C ATOM 447 O ASN A 29 3.057 -5.491 -6.917 1.00 0.00 O ATOM 448 CB ASN A 29 5.077 -3.368 -8.694 1.00 0.00 C ATOM 449 CG ASN A 29 5.392 -1.903 -8.962 1.00 0.00 C ATOM 450 OD1 ASN A 29 4.578 -1.004 -8.424 1.00 0.00 O flip ATOM 451 ND2 ASN A 29 6.367 -1.580 -9.646 1.00 0.00 N flip ATOM 0 H ASN A 29 6.163 -2.779 -6.537 1.00 0.00 H new ATOM 0 HA ASN A 29 3.444 -3.082 -7.358 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.998 -3.948 -8.741 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.423 -3.745 -9.480 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.971 -2.299 -10.044 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.569 -0.594 -9.813 1.00 0.00 H new ATOM 458 N ALA A 30 5.279 -5.793 -6.926 1.00 0.00 N ATOM 459 CA ALA A 30 5.224 -7.227 -6.672 1.00 0.00 C ATOM 460 C ALA A 30 4.448 -7.536 -5.391 1.00 0.00 C ATOM 461 O ALA A 30 3.466 -8.289 -5.398 1.00 0.00 O ATOM 462 CB ALA A 30 6.646 -7.774 -6.572 1.00 0.00 C ATOM 0 H ALA A 30 6.225 -5.416 -6.986 1.00 0.00 H new ATOM 0 HA ALA A 30 4.700 -7.707 -7.499 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.611 -8.847 -6.382 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.174 -7.588 -7.507 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.170 -7.278 -5.755 1.00 0.00 H new ATOM 468 N ALA A 31 4.876 -6.900 -4.310 1.00 0.00 N ATOM 469 CA ALA A 31 4.393 -7.211 -2.977 1.00 0.00 C ATOM 470 C ALA A 31 2.946 -6.771 -2.759 1.00 0.00 C ATOM 471 O ALA A 31 2.110 -7.568 -2.334 1.00 0.00 O ATOM 472 CB ALA A 31 5.310 -6.568 -1.954 1.00 0.00 C ATOM 0 H ALA A 31 5.570 -6.152 -4.335 1.00 0.00 H new ATOM 0 HA ALA A 31 4.404 -8.294 -2.859 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.953 -6.798 -0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.321 -6.956 -2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.316 -5.488 -2.099 1.00 0.00 H new ATOM 478 N PHE A 32 2.636 -5.501 -2.991 1.00 0.00 N ATOM 479 CA PHE A 32 1.249 -5.063 -2.876 1.00 0.00 C ATOM 480 C PHE A 32 0.380 -5.767 -3.910 1.00 0.00 C ATOM 481 O PHE A 32 -0.821 -5.871 -3.723 1.00 0.00 O ATOM 482 CB PHE A 32 1.106 -3.544 -3.028 1.00 0.00 C ATOM 483 CG PHE A 32 2.061 -2.824 -2.152 1.00 0.00 C ATOM 484 CD1 PHE A 32 2.506 -3.447 -1.014 1.00 0.00 C ATOM 485 CD2 PHE A 32 2.573 -1.588 -2.486 1.00 0.00 C ATOM 486 CE1 PHE A 32 3.436 -2.865 -0.220 1.00 0.00 C ATOM 487 CE2 PHE A 32 3.529 -1.008 -1.691 1.00 0.00 C ATOM 488 CZ PHE A 32 3.954 -1.657 -0.555 1.00 0.00 C ATOM 0 H PHE A 32 3.303 -4.775 -3.252 1.00 0.00 H new ATOM 0 HA PHE A 32 0.914 -5.330 -1.874 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.278 -3.262 -4.067 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.087 -3.246 -2.782 1.00 0.00 H new ATOM 0 HD1 PHE A 32 2.109 -4.415 -0.747 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.222 -1.078 -3.371 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.765 -3.363 0.680 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.946 -0.047 -1.956 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.705 -1.202 0.074 1.00 0.00 H new ATOM 498 N ASP A 33 0.978 -6.259 -5.000 1.00 0.00 N ATOM 499 CA ASP A 33 0.204 -6.952 -6.014 1.00 0.00 C ATOM 500 C ASP A 33 -0.421 -8.184 -5.417 1.00 0.00 C ATOM 501 O ASP A 33 -1.630 -8.250 -5.310 1.00 0.00 O ATOM 502 CB ASP A 33 1.038 -7.340 -7.233 1.00 0.00 C ATOM 503 CG ASP A 33 0.171 -7.878 -8.358 1.00 0.00 C ATOM 504 OD1 ASP A 33 -0.526 -7.069 -9.014 1.00 0.00 O ATOM 505 OD2 ASP A 33 0.168 -9.107 -8.585 1.00 0.00 O ATOM 0 H ASP A 33 1.977 -6.189 -5.194 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.566 -6.262 -6.358 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.594 -6.471 -7.585 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.772 -8.093 -6.947 1.00 0.00 H new ATOM 510 N ASN A 34 0.396 -9.136 -4.970 1.00 0.00 N ATOM 511 CA ASN A 34 -0.146 -10.374 -4.400 1.00 0.00 C ATOM 512 C ASN A 34 -0.959 -10.098 -3.128 1.00 0.00 C ATOM 513 O ASN A 34 -1.953 -10.773 -2.867 1.00 0.00 O ATOM 514 CB ASN A 34 0.943 -11.434 -4.137 1.00 0.00 C ATOM 515 CG ASN A 34 2.103 -10.938 -3.299 1.00 0.00 C ATOM 516 OD1 ASN A 34 2.543 -9.814 -3.428 1.00 0.00 O ATOM 517 ND2 ASN A 34 2.607 -11.783 -2.425 1.00 0.00 N ATOM 0 H ASN A 34 1.414 -9.080 -4.989 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.818 -10.788 -5.152 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.488 -12.290 -3.638 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.326 -11.790 -5.093 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.388 -11.500 -1.834 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.216 -12.721 -2.339 1.00 0.00 H new ATOM 524 N ALA A 35 -0.554 -9.090 -2.363 1.00 0.00 N ATOM 525 CA ALA A 35 -1.296 -8.666 -1.168 1.00 0.00 C ATOM 526 C ALA A 35 -2.693 -8.162 -1.534 1.00 0.00 C ATOM 527 O ALA A 35 -3.723 -8.716 -1.119 1.00 0.00 O ATOM 528 CB ALA A 35 -0.523 -7.576 -0.451 1.00 0.00 C ATOM 0 H ALA A 35 0.288 -8.545 -2.546 1.00 0.00 H new ATOM 0 HA ALA A 35 -1.411 -9.528 -0.510 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -1.074 -7.262 0.435 1.00 0.00 H new ATOM 0 HB2 ALA A 35 0.454 -7.958 -0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.392 -6.724 -1.118 1.00 0.00 H new ATOM 534 N VAL A 36 -2.716 -7.123 -2.332 1.00 0.00 N ATOM 535 CA VAL A 36 -3.944 -6.488 -2.756 1.00 0.00 C ATOM 536 C VAL A 36 -4.718 -7.403 -3.701 1.00 0.00 C ATOM 537 O VAL A 36 -5.918 -7.240 -3.902 1.00 0.00 O ATOM 538 CB VAL A 36 -3.594 -5.142 -3.411 1.00 0.00 C ATOM 539 CG1 VAL A 36 -4.821 -4.471 -3.992 1.00 0.00 C ATOM 540 CG2 VAL A 36 -2.895 -4.228 -2.401 1.00 0.00 C ATOM 0 H VAL A 36 -1.875 -6.688 -2.711 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.593 -6.302 -1.900 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.910 -5.336 -4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.536 -3.522 -4.447 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.265 -5.117 -4.749 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.546 -4.290 -3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.652 -3.278 -2.877 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.556 -4.050 -1.553 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.978 -4.704 -2.053 1.00 0.00 H new ATOM 550 N GLN A 37 -4.019 -8.377 -4.246 1.00 0.00 N ATOM 551 CA GLN A 37 -4.630 -9.458 -4.995 1.00 0.00 C ATOM 552 C GLN A 37 -5.370 -10.401 -4.049 1.00 0.00 C ATOM 553 O GLN A 37 -6.396 -10.978 -4.407 1.00 0.00 O ATOM 554 CB GLN A 37 -3.540 -10.193 -5.774 1.00 0.00 C ATOM 555 CG GLN A 37 -3.940 -11.550 -6.324 1.00 0.00 C ATOM 556 CD GLN A 37 -2.833 -12.178 -7.143 1.00 0.00 C ATOM 557 OE1 GLN A 37 -1.597 -11.846 -6.811 1.00 0.00 O flip ATOM 558 NE2 GLN A 37 -3.089 -12.941 -8.075 1.00 0.00 N flip ATOM 0 H GLN A 37 -3.003 -8.442 -4.182 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.361 -9.061 -5.699 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.221 -9.562 -6.604 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.676 -10.323 -5.123 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -4.202 -12.213 -5.499 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.832 -11.442 -6.942 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -4.058 -13.169 -8.296 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.332 -13.345 -8.626 1.00 0.00 H new ATOM 567 N GLN A 38 -4.844 -10.544 -2.833 1.00 0.00 N ATOM 568 CA GLN A 38 -5.505 -11.322 -1.789 1.00 0.00 C ATOM 569 C GLN A 38 -6.884 -10.772 -1.505 1.00 0.00 C ATOM 570 O GLN A 38 -7.889 -11.452 -1.712 1.00 0.00 O ATOM 571 CB GLN A 38 -4.718 -11.289 -0.487 1.00 0.00 C ATOM 572 CG GLN A 38 -3.436 -12.099 -0.503 1.00 0.00 C ATOM 573 CD GLN A 38 -2.456 -11.622 0.542 1.00 0.00 C ATOM 574 OE1 GLN A 38 -2.469 -10.320 0.796 1.00 0.00 O flip ATOM 575 NE2 GLN A 38 -1.700 -12.407 1.115 1.00 0.00 N flip ATOM 0 H GLN A 38 -3.957 -10.128 -2.547 1.00 0.00 H new ATOM 0 HA GLN A 38 -5.569 -12.347 -2.155 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.475 -10.253 -0.251 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -5.355 -11.658 0.317 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.668 -13.150 -0.330 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.976 -12.032 -1.489 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -1.727 -13.400 0.885 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.047 -12.064 1.819 1.00 0.00 H new ATOM 584 N LEU A 39 -6.936 -9.522 -1.047 1.00 0.00 N ATOM 585 CA LEU A 39 -8.205 -8.959 -0.621 1.00 0.00 C ATOM 586 C LEU A 39 -8.964 -8.446 -1.831 1.00 0.00 C ATOM 587 O LEU A 39 -10.164 -8.174 -1.781 1.00 0.00 O ATOM 588 CB LEU A 39 -7.990 -7.841 0.392 1.00 0.00 C ATOM 589 CG LEU A 39 -7.063 -6.727 -0.072 1.00 0.00 C ATOM 590 CD1 LEU A 39 -7.329 -5.476 0.720 1.00 0.00 C ATOM 591 CD2 LEU A 39 -5.624 -7.069 0.138 1.00 0.00 C ATOM 0 H LEU A 39 -6.134 -8.898 -0.964 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.792 -9.739 -0.135 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.958 -7.407 0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.586 -8.273 1.308 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.257 -6.585 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.662 -4.683 0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.364 -5.166 0.574 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -7.154 -5.671 1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.000 -6.245 -0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.442 -7.242 1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.379 -7.970 -0.424 1.00 0.00 H new ATOM 603 N ASN A 40 -8.199 -8.320 -2.916 1.00 0.00 N ATOM 604 CA ASN A 40 -8.707 -8.046 -4.256 1.00 0.00 C ATOM 605 C ASN A 40 -9.613 -6.832 -4.278 1.00 0.00 C ATOM 606 O ASN A 40 -10.699 -6.839 -4.844 1.00 0.00 O ATOM 607 CB ASN A 40 -9.401 -9.289 -4.787 1.00 0.00 C ATOM 608 CG ASN A 40 -9.689 -9.232 -6.281 1.00 0.00 C ATOM 609 OD1 ASN A 40 -10.750 -8.780 -6.714 1.00 0.00 O ATOM 610 ND2 ASN A 40 -8.752 -9.716 -7.079 1.00 0.00 N ATOM 0 H ASN A 40 -7.183 -8.408 -2.884 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.871 -7.804 -4.912 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.780 -10.160 -4.578 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.339 -9.430 -4.249 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -8.896 -9.723 -8.089 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -7.886 -10.082 -6.685 1.00 0.00 H new ATOM 617 N CYS A 41 -9.125 -5.779 -3.662 1.00 0.00 N ATOM 618 CA CYS A 41 -9.848 -4.523 -3.594 1.00 0.00 C ATOM 619 C CYS A 41 -9.498 -3.659 -4.800 1.00 0.00 C ATOM 620 O CYS A 41 -9.903 -2.499 -4.881 1.00 0.00 O ATOM 621 CB CYS A 41 -9.483 -3.798 -2.299 1.00 0.00 C ATOM 622 SG CYS A 41 -10.882 -2.986 -1.464 1.00 0.00 S ATOM 0 H CYS A 41 -8.219 -5.766 -3.194 1.00 0.00 H new ATOM 0 HA CYS A 41 -10.920 -4.718 -3.604 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -9.033 -4.514 -1.612 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.724 -3.048 -2.520 1.00 0.00 H new ATOM 627 N LEU A 42 -8.740 -4.250 -5.733 1.00 0.00 N ATOM 628 CA LEU A 42 -8.222 -3.554 -6.915 1.00 0.00 C ATOM 629 C LEU A 42 -7.191 -2.501 -6.515 1.00 0.00 C ATOM 630 O LEU A 42 -6.022 -2.583 -6.901 1.00 0.00 O ATOM 631 CB LEU A 42 -9.347 -2.916 -7.748 1.00 0.00 C ATOM 632 CG LEU A 42 -10.127 -3.875 -8.660 1.00 0.00 C ATOM 633 CD1 LEU A 42 -10.933 -4.882 -7.853 1.00 0.00 C ATOM 634 CD2 LEU A 42 -11.039 -3.092 -9.589 1.00 0.00 C ATOM 0 H LEU A 42 -8.468 -5.232 -5.687 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.735 -4.302 -7.541 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.051 -2.438 -7.067 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -8.915 -2.128 -8.365 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.403 -4.431 -9.256 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.472 -5.544 -8.531 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.260 -5.471 -7.230 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -11.645 -4.354 -7.219 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -11.586 -3.784 -10.230 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.745 -2.508 -8.999 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.441 -2.421 -10.206 1.00 0.00 H new ATOM 646 N ASN A 43 -7.621 -1.528 -5.732 1.00 0.00 N ATOM 647 CA ASN A 43 -6.731 -0.499 -5.234 1.00 0.00 C ATOM 648 C ASN A 43 -5.846 -1.049 -4.129 1.00 0.00 C ATOM 649 O ASN A 43 -6.292 -1.804 -3.265 1.00 0.00 O ATOM 650 CB ASN A 43 -7.522 0.727 -4.742 1.00 0.00 C ATOM 651 CG ASN A 43 -8.670 0.424 -3.776 1.00 0.00 C ATOM 652 OD1 ASN A 43 -9.708 1.081 -3.828 1.00 0.00 O ATOM 653 ND2 ASN A 43 -8.503 -0.536 -2.873 1.00 0.00 N ATOM 0 H ASN A 43 -8.589 -1.430 -5.426 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.093 -0.176 -6.057 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -6.830 1.412 -4.253 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -7.927 1.248 -5.609 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -9.245 -0.741 -2.204 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.633 -1.068 -2.849 1.00 0.00 H new ATOM 660 N ARG A 44 -4.579 -0.676 -4.176 1.00 0.00 N ATOM 661 CA ARG A 44 -3.626 -1.059 -3.144 1.00 0.00 C ATOM 662 C ARG A 44 -3.985 -0.386 -1.826 1.00 0.00 C ATOM 663 O ARG A 44 -3.500 -0.779 -0.767 1.00 0.00 O ATOM 664 CB ARG A 44 -2.200 -0.674 -3.555 1.00 0.00 C ATOM 665 CG ARG A 44 -1.458 -1.724 -4.373 1.00 0.00 C ATOM 666 CD ARG A 44 -2.083 -1.973 -5.736 1.00 0.00 C ATOM 667 NE ARG A 44 -1.187 -2.757 -6.590 1.00 0.00 N ATOM 668 CZ ARG A 44 -1.542 -3.859 -7.257 1.00 0.00 C ATOM 669 NH1 ARG A 44 -2.788 -4.317 -7.198 1.00 0.00 N ATOM 670 NH2 ARG A 44 -0.642 -4.498 -7.993 1.00 0.00 N ATOM 0 H ARG A 44 -4.183 -0.105 -4.922 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.671 -2.141 -3.018 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.241 0.250 -4.131 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.623 -0.463 -2.654 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.424 -1.407 -4.507 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.434 -2.660 -3.815 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.029 -2.500 -5.615 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.308 -1.021 -6.216 1.00 0.00 H new ATOM 0 HE ARG A 44 -0.222 -2.438 -6.682 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.486 -3.826 -6.639 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.047 -5.159 -7.712 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.314 -4.147 -8.047 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.906 -5.340 -8.505 1.00 0.00 H new ATOM 684 N ALA A 45 -4.849 0.626 -1.916 1.00 0.00 N ATOM 685 CA ALA A 45 -5.316 1.364 -0.753 1.00 0.00 C ATOM 686 C ALA A 45 -5.853 0.435 0.317 1.00 0.00 C ATOM 687 O ALA A 45 -5.356 0.435 1.429 1.00 0.00 O ATOM 688 CB ALA A 45 -6.393 2.355 -1.150 1.00 0.00 C ATOM 0 H ALA A 45 -5.242 0.953 -2.799 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.460 1.901 -0.344 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.731 2.898 -0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.989 3.059 -1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.234 1.821 -1.591 1.00 0.00 H new ATOM 694 N CYS A 46 -6.858 -0.360 -0.035 1.00 0.00 N ATOM 695 CA CYS A 46 -7.521 -1.255 0.906 1.00 0.00 C ATOM 696 C CYS A 46 -6.533 -2.060 1.755 1.00 0.00 C ATOM 697 O CYS A 46 -6.563 -1.999 2.983 1.00 0.00 O ATOM 698 CB CYS A 46 -8.414 -2.206 0.126 1.00 0.00 C ATOM 699 SG CYS A 46 -10.010 -1.496 -0.394 1.00 0.00 S ATOM 0 H CYS A 46 -7.236 -0.402 -0.981 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.104 -0.643 1.594 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -7.876 -2.544 -0.760 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -8.606 -3.087 0.738 1.00 0.00 H new ATOM 704 N ALA A 47 -5.666 -2.814 1.089 1.00 0.00 N ATOM 705 CA ALA A 47 -4.675 -3.655 1.782 1.00 0.00 C ATOM 706 C ALA A 47 -3.799 -2.822 2.705 1.00 0.00 C ATOM 707 O ALA A 47 -3.673 -3.094 3.902 1.00 0.00 O ATOM 708 CB ALA A 47 -3.786 -4.361 0.782 1.00 0.00 C ATOM 0 H ALA A 47 -5.623 -2.866 0.071 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.226 -4.388 2.371 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.060 -4.978 1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.395 -4.993 0.136 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.261 -3.622 0.177 1.00 0.00 H new ATOM 714 N TYR A 48 -3.219 -1.800 2.109 1.00 0.00 N ATOM 715 CA TYR A 48 -2.259 -0.925 2.762 1.00 0.00 C ATOM 716 C TYR A 48 -2.920 -0.165 3.917 1.00 0.00 C ATOM 717 O TYR A 48 -2.327 0.050 4.975 1.00 0.00 O ATOM 718 CB TYR A 48 -1.723 0.071 1.719 1.00 0.00 C ATOM 719 CG TYR A 48 -0.273 0.471 1.886 1.00 0.00 C ATOM 720 CD1 TYR A 48 0.309 0.562 3.144 1.00 0.00 C ATOM 721 CD2 TYR A 48 0.522 0.748 0.772 1.00 0.00 C ATOM 722 CE1 TYR A 48 1.633 0.924 3.291 1.00 0.00 C ATOM 723 CE2 TYR A 48 1.841 1.106 0.916 1.00 0.00 C ATOM 724 CZ TYR A 48 2.395 1.194 2.176 1.00 0.00 C ATOM 725 OH TYR A 48 3.711 1.559 2.319 1.00 0.00 O ATOM 0 H TYR A 48 -3.404 -1.547 1.138 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.443 -1.520 3.172 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -1.850 -0.364 0.728 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.337 0.971 1.753 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.284 0.346 4.021 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.094 0.680 -0.217 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.069 0.995 4.276 1.00 0.00 H new ATOM 0 HE2 TYR A 48 2.442 1.318 0.044 1.00 0.00 H new ATOM 0 HH TYR A 48 3.981 2.113 1.557 1.00 0.00 H new ATOM 735 N ARG A 49 -4.163 0.227 3.697 1.00 0.00 N ATOM 736 CA ARG A 49 -4.912 1.024 4.655 1.00 0.00 C ATOM 737 C ARG A 49 -5.362 0.160 5.822 1.00 0.00 C ATOM 738 O ARG A 49 -5.509 0.640 6.946 1.00 0.00 O ATOM 739 CB ARG A 49 -6.123 1.656 3.963 1.00 0.00 C ATOM 740 CG ARG A 49 -6.637 2.917 4.630 1.00 0.00 C ATOM 741 CD ARG A 49 -5.522 3.930 4.836 1.00 0.00 C ATOM 742 NE ARG A 49 -4.658 4.064 3.666 1.00 0.00 N ATOM 743 CZ ARG A 49 -3.507 4.741 3.671 1.00 0.00 C ATOM 744 NH1 ARG A 49 -3.121 5.403 4.754 1.00 0.00 N ATOM 745 NH2 ARG A 49 -2.741 4.765 2.590 1.00 0.00 N ATOM 0 H ARG A 49 -4.683 0.002 2.849 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.269 1.815 5.041 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.857 1.887 2.932 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.929 0.923 3.928 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.424 3.359 4.019 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.084 2.665 5.592 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.958 4.900 5.074 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -4.920 3.632 5.695 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.950 3.616 2.797 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.705 5.397 5.590 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -2.240 5.918 4.750 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.030 4.265 1.749 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.863 5.284 2.599 1.00 0.00 H new ATOM 759 N LYS A 50 -5.556 -1.124 5.551 1.00 0.00 N ATOM 760 CA LYS A 50 -5.969 -2.057 6.573 1.00 0.00 C ATOM 761 C LYS A 50 -4.739 -2.426 7.394 1.00 0.00 C ATOM 762 O LYS A 50 -4.826 -2.663 8.598 1.00 0.00 O ATOM 763 CB LYS A 50 -6.640 -3.280 5.927 1.00 0.00 C ATOM 764 CG LYS A 50 -7.861 -3.788 6.695 1.00 0.00 C ATOM 765 CD LYS A 50 -7.557 -4.055 8.161 1.00 0.00 C ATOM 766 CE LYS A 50 -8.782 -4.545 8.917 1.00 0.00 C ATOM 767 NZ LYS A 50 -9.235 -5.883 8.454 1.00 0.00 N ATOM 0 H LYS A 50 -5.432 -1.537 4.627 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.710 -1.615 7.238 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.941 -3.024 4.911 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -5.910 -4.085 5.849 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.664 -3.054 6.621 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.223 -4.705 6.230 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.763 -4.798 8.237 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.185 -3.142 8.626 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.555 -4.590 9.982 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.593 -3.827 8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.996 -6.226 9.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.590 -5.811 7.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.437 -6.549 8.484 1.00 0.00 H new ATOM 781 N MET A 51 -3.584 -2.436 6.725 1.00 0.00 N ATOM 782 CA MET A 51 -2.295 -2.519 7.405 1.00 0.00 C ATOM 783 C MET A 51 -2.142 -1.378 8.411 1.00 0.00 C ATOM 784 O MET A 51 -1.717 -1.597 9.544 1.00 0.00 O ATOM 785 CB MET A 51 -1.149 -2.463 6.393 1.00 0.00 C ATOM 786 CG MET A 51 0.236 -2.554 7.022 1.00 0.00 C ATOM 787 SD MET A 51 1.559 -2.445 5.801 1.00 0.00 S ATOM 788 CE MET A 51 2.988 -2.807 6.819 1.00 0.00 C ATOM 0 H MET A 51 -3.518 -2.387 5.708 1.00 0.00 H new ATOM 0 HA MET A 51 -2.257 -3.470 7.936 1.00 0.00 H new ATOM 0 HB2 MET A 51 -1.267 -3.278 5.679 1.00 0.00 H new ATOM 0 HB3 MET A 51 -1.221 -1.533 5.829 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.353 -1.753 7.752 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.324 -3.495 7.565 1.00 0.00 H new ATOM 0 HE1 MET A 51 3.889 -2.778 6.206 1.00 0.00 H new ATOM 0 HE2 MET A 51 3.066 -2.065 7.614 1.00 0.00 H new ATOM 0 HE3 MET A 51 2.880 -3.799 7.258 1.00 0.00 H new ATOM 798 N CYS A 52 -2.486 -0.163 7.988 1.00 0.00 N ATOM 799 CA CYS A 52 -2.428 0.998 8.875 1.00 0.00 C ATOM 800 C CYS A 52 -3.348 0.813 10.081 1.00 0.00 C ATOM 801 O CYS A 52 -2.950 1.066 11.221 1.00 0.00 O ATOM 802 CB CYS A 52 -2.808 2.280 8.131 1.00 0.00 C ATOM 803 SG CYS A 52 -2.932 3.746 9.213 1.00 0.00 S ATOM 0 H CYS A 52 -2.806 0.043 7.042 1.00 0.00 H new ATOM 0 HA CYS A 52 -1.400 1.087 9.226 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -2.067 2.473 7.356 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -3.763 2.128 7.628 1.00 0.00 H new ATOM 0 HG CYS A 52 -3.255 4.785 8.501 1.00 0.00 H new ATOM 808 N ALA A 53 -4.576 0.366 9.822 1.00 0.00 N ATOM 809 CA ALA A 53 -5.543 0.124 10.886 1.00 0.00 C ATOM 810 C ALA A 53 -5.002 -0.897 11.880 1.00 0.00 C ATOM 811 O ALA A 53 -5.215 -0.778 13.084 1.00 0.00 O ATOM 812 CB ALA A 53 -6.869 -0.346 10.306 1.00 0.00 C ATOM 0 H ALA A 53 -4.923 0.165 8.884 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.712 1.062 11.415 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.578 -0.522 11.115 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.264 0.418 9.636 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -6.716 -1.271 9.751 1.00 0.00 H new ATOM 818 N THR A 54 -4.295 -1.894 11.363 1.00 0.00 N ATOM 819 CA THR A 54 -3.656 -2.901 12.193 1.00 0.00 C ATOM 820 C THR A 54 -2.798 -3.833 11.337 1.00 0.00 C ATOM 821 O THR A 54 -1.606 -4.000 11.600 1.00 0.00 O ATOM 822 CB THR A 54 -4.692 -3.716 13.015 1.00 0.00 C ATOM 823 OG1 THR A 54 -4.060 -4.831 13.656 1.00 0.00 O ATOM 824 CG2 THR A 54 -5.853 -4.209 12.152 1.00 0.00 C ATOM 0 H THR A 54 -4.150 -2.025 10.362 1.00 0.00 H new ATOM 0 HA THR A 54 -3.013 -2.381 12.903 1.00 0.00 H new ATOM 0 HB THR A 54 -5.099 -3.043 13.770 1.00 0.00 H new ATOM 0 HG1 THR A 54 -4.726 -5.333 14.171 1.00 0.00 H new ATOM 0 HG21 THR A 54 -6.551 -4.773 12.770 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.367 -3.355 11.711 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.470 -4.851 11.359 1.00 0.00 H new ATOM 832 N ASN A 55 -3.405 -4.365 10.279 1.00 0.00 N ATOM 833 CA ASN A 55 -2.816 -5.368 9.411 1.00 0.00 C ATOM 834 C ASN A 55 -3.962 -6.036 8.691 1.00 0.00 C ATOM 835 O ASN A 55 -5.122 -5.811 9.049 1.00 0.00 O ATOM 836 CB ASN A 55 -1.979 -6.417 10.178 1.00 0.00 C ATOM 837 CG ASN A 55 -2.746 -7.150 11.275 1.00 0.00 C ATOM 838 OD1 ASN A 55 -3.959 -7.340 11.200 1.00 0.00 O ATOM 839 ND2 ASN A 55 -2.034 -7.571 12.311 1.00 0.00 N ATOM 0 H ASN A 55 -4.349 -4.099 9.998 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.120 -4.888 8.723 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.595 -7.149 9.467 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.116 -5.922 10.623 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.491 -8.068 13.076 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.029 -7.398 12.344 1.00 0.00 H new ATOM 846 N ASN A 56 -3.668 -6.830 7.688 1.00 0.00 N ATOM 847 CA ASN A 56 -4.709 -7.453 6.914 1.00 0.00 C ATOM 848 C ASN A 56 -4.097 -8.410 5.917 1.00 0.00 C ATOM 849 O ASN A 56 -3.797 -9.563 6.220 1.00 0.00 O ATOM 850 CB ASN A 56 -5.527 -6.374 6.185 1.00 0.00 C ATOM 851 CG ASN A 56 -6.806 -6.904 5.577 1.00 0.00 C ATOM 852 OD1 ASN A 56 -7.369 -7.889 6.044 1.00 0.00 O ATOM 853 ND2 ASN A 56 -7.287 -6.235 4.538 1.00 0.00 N ATOM 0 H ASN A 56 -2.719 -7.058 7.392 1.00 0.00 H new ATOM 0 HA ASN A 56 -5.372 -8.010 7.576 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.770 -5.576 6.886 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.915 -5.932 5.399 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -8.156 -6.535 4.097 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.788 -5.421 4.180 1.00 0.00 H new ATOM 860 N LEU A 57 -3.927 -7.906 4.724 1.00 0.00 N ATOM 861 CA LEU A 57 -3.327 -8.648 3.641 1.00 0.00 C ATOM 862 C LEU A 57 -1.897 -8.245 3.416 1.00 0.00 C ATOM 863 O LEU A 57 -1.216 -8.780 2.540 1.00 0.00 O ATOM 864 CB LEU A 57 -4.142 -8.467 2.416 1.00 0.00 C ATOM 865 CG LEU A 57 -5.350 -9.421 2.314 1.00 0.00 C ATOM 866 CD1 LEU A 57 -4.964 -10.823 2.764 1.00 0.00 C ATOM 867 CD2 LEU A 57 -6.527 -8.924 3.127 1.00 0.00 C ATOM 0 H LEU A 57 -4.204 -6.957 4.471 1.00 0.00 H new ATOM 0 HA LEU A 57 -3.311 -9.705 3.905 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -4.501 -7.439 2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.504 -8.612 1.544 1.00 0.00 H new ATOM 0 HG LEU A 57 -5.652 -9.451 1.267 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -5.829 -11.482 2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -4.161 -11.200 2.130 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -4.625 -10.792 3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -7.358 -9.623 3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.239 -8.847 4.175 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.833 -7.944 2.762 1.00 0.00 H new ATOM 879 N GLU A 58 -1.463 -7.273 4.190 1.00 0.00 N ATOM 880 CA GLU A 58 -0.070 -6.857 4.198 1.00 0.00 C ATOM 881 C GLU A 58 0.860 -8.058 4.401 1.00 0.00 C ATOM 882 O GLU A 58 2.059 -7.956 4.191 1.00 0.00 O ATOM 883 CB GLU A 58 0.176 -5.773 5.260 1.00 0.00 C ATOM 884 CG GLU A 58 -0.682 -5.897 6.513 1.00 0.00 C ATOM 885 CD GLU A 58 -0.472 -7.206 7.241 1.00 0.00 C ATOM 886 OE1 GLU A 58 0.512 -7.323 7.995 1.00 0.00 O ATOM 887 OE2 GLU A 58 -1.294 -8.123 7.059 1.00 0.00 O ATOM 0 H GLU A 58 -2.060 -6.749 4.830 1.00 0.00 H new ATOM 0 HA GLU A 58 0.158 -6.423 3.224 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.226 -5.802 5.552 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.003 -4.797 4.810 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.454 -5.071 7.187 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.733 -5.804 6.239 1.00 0.00 H new ATOM 894 N GLN A 59 0.283 -9.181 4.820 1.00 0.00 N ATOM 895 CA GLN A 59 0.955 -10.474 4.827 1.00 0.00 C ATOM 896 C GLN A 59 1.772 -10.701 3.549 1.00 0.00 C ATOM 897 O GLN A 59 2.992 -10.777 3.605 1.00 0.00 O ATOM 898 CB GLN A 59 -0.091 -11.579 4.964 1.00 0.00 C ATOM 899 CG GLN A 59 0.473 -12.986 4.839 1.00 0.00 C ATOM 900 CD GLN A 59 -0.610 -14.038 4.695 1.00 0.00 C ATOM 901 OE1 GLN A 59 -1.736 -13.660 4.104 1.00 0.00 O flip ATOM 902 NE2 GLN A 59 -0.435 -15.182 5.107 1.00 0.00 N flip ATOM 0 H GLN A 59 -0.675 -9.218 5.168 1.00 0.00 H new ATOM 0 HA GLN A 59 1.646 -10.492 5.670 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.583 -11.481 5.932 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.856 -11.437 4.201 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.136 -13.032 3.975 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.078 -13.210 5.718 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.446 -15.433 5.556 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.170 -15.881 5.000 1.00 0.00 H new ATOM 911 N ALA A 60 1.090 -10.787 2.403 1.00 0.00 N ATOM 912 CA ALA A 60 1.739 -11.139 1.134 1.00 0.00 C ATOM 913 C ALA A 60 2.863 -10.177 0.792 1.00 0.00 C ATOM 914 O ALA A 60 4.012 -10.588 0.656 1.00 0.00 O ATOM 915 CB ALA A 60 0.731 -11.166 0.009 1.00 0.00 C ATOM 0 H ALA A 60 0.087 -10.618 2.327 1.00 0.00 H new ATOM 0 HA ALA A 60 2.168 -12.133 1.257 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.232 -11.429 -0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -0.039 -11.906 0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.271 -10.183 -0.091 1.00 0.00 H new ATOM 921 N MET A 61 2.516 -8.908 0.596 1.00 0.00 N ATOM 922 CA MET A 61 3.517 -7.849 0.481 1.00 0.00 C ATOM 923 C MET A 61 4.663 -8.001 1.499 1.00 0.00 C ATOM 924 O MET A 61 5.823 -7.930 1.111 1.00 0.00 O ATOM 925 CB MET A 61 2.844 -6.474 0.591 1.00 0.00 C ATOM 926 CG MET A 61 1.759 -6.404 1.643 1.00 0.00 C ATOM 927 SD MET A 61 0.822 -4.861 1.627 1.00 0.00 S ATOM 928 CE MET A 61 1.902 -3.783 2.563 1.00 0.00 C ATOM 0 H MET A 61 1.551 -8.587 0.513 1.00 0.00 H new ATOM 0 HA MET A 61 3.977 -7.937 -0.503 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.604 -5.726 0.817 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.416 -6.212 -0.376 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.071 -7.237 1.497 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.211 -6.533 2.626 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.445 -2.797 2.651 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.060 -4.200 3.558 1.00 0.00 H new ATOM 0 HE3 MET A 61 2.860 -3.694 2.051 1.00 0.00 H new ATOM 938 N SER A 62 4.359 -8.240 2.778 1.00 0.00 N ATOM 939 CA SER A 62 5.418 -8.373 3.798 1.00 0.00 C ATOM 940 C SER A 62 6.199 -9.680 3.646 1.00 0.00 C ATOM 941 O SER A 62 7.288 -9.828 4.195 1.00 0.00 O ATOM 942 CB SER A 62 4.844 -8.273 5.214 1.00 0.00 C ATOM 943 OG SER A 62 4.206 -7.023 5.424 1.00 0.00 O ATOM 0 H SER A 62 3.409 -8.345 3.133 1.00 0.00 H new ATOM 0 HA SER A 62 6.108 -7.544 3.638 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.130 -9.080 5.377 1.00 0.00 H new ATOM 0 HB3 SER A 62 5.644 -8.403 5.943 1.00 0.00 H new ATOM 0 HG SER A 62 3.365 -6.997 4.922 1.00 0.00 H new ATOM 949 N VAL A 63 5.628 -10.636 2.929 1.00 0.00 N ATOM 950 CA VAL A 63 6.348 -11.853 2.572 1.00 0.00 C ATOM 951 C VAL A 63 7.327 -11.561 1.439 1.00 0.00 C ATOM 952 O VAL A 63 8.449 -12.073 1.411 1.00 0.00 O ATOM 953 CB VAL A 63 5.379 -12.983 2.144 1.00 0.00 C ATOM 954 CG1 VAL A 63 6.141 -14.168 1.575 1.00 0.00 C ATOM 955 CG2 VAL A 63 4.518 -13.422 3.317 1.00 0.00 C ATOM 0 H VAL A 63 4.670 -10.595 2.582 1.00 0.00 H new ATOM 0 HA VAL A 63 6.892 -12.191 3.454 1.00 0.00 H new ATOM 0 HB VAL A 63 4.729 -12.590 1.363 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.437 -14.947 1.282 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.712 -13.849 0.703 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.822 -14.560 2.331 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.844 -14.216 2.996 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.157 -13.790 4.120 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.935 -12.575 3.677 1.00 0.00 H new ATOM 965 N TYR A 64 6.887 -10.727 0.508 1.00 0.00 N ATOM 966 CA TYR A 64 7.707 -10.326 -0.624 1.00 0.00 C ATOM 967 C TYR A 64 8.805 -9.349 -0.204 1.00 0.00 C ATOM 968 O TYR A 64 9.988 -9.667 -0.311 1.00 0.00 O ATOM 969 CB TYR A 64 6.827 -9.724 -1.723 1.00 0.00 C ATOM 970 CG TYR A 64 6.453 -10.716 -2.804 1.00 0.00 C ATOM 971 CD1 TYR A 64 5.741 -11.873 -2.506 1.00 0.00 C ATOM 972 CD2 TYR A 64 6.813 -10.494 -4.126 1.00 0.00 C ATOM 973 CE1 TYR A 64 5.401 -12.777 -3.497 1.00 0.00 C ATOM 974 CE2 TYR A 64 6.476 -11.392 -5.121 1.00 0.00 C ATOM 975 CZ TYR A 64 5.769 -12.531 -4.803 1.00 0.00 C ATOM 976 OH TYR A 64 5.433 -13.426 -5.794 1.00 0.00 O ATOM 0 H TYR A 64 5.956 -10.311 0.516 1.00 0.00 H new ATOM 0 HA TYR A 64 8.201 -11.214 -1.018 1.00 0.00 H new ATOM 0 HB2 TYR A 64 5.917 -9.328 -1.273 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.350 -8.883 -2.177 1.00 0.00 H new ATOM 0 HD1 TYR A 64 5.449 -12.069 -1.485 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.367 -9.603 -4.382 1.00 0.00 H new ATOM 0 HE1 TYR A 64 4.850 -13.672 -3.249 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.766 -11.202 -6.144 1.00 0.00 H new ATOM 0 HH TYR A 64 5.767 -13.101 -6.656 1.00 0.00 H new ATOM 986 N PHE A 65 8.416 -8.177 0.288 1.00 0.00 N ATOM 987 CA PHE A 65 9.388 -7.168 0.699 1.00 0.00 C ATOM 988 C PHE A 65 9.810 -7.399 2.146 1.00 0.00 C ATOM 989 O PHE A 65 9.251 -8.247 2.837 1.00 0.00 O ATOM 990 CB PHE A 65 8.820 -5.740 0.514 1.00 0.00 C ATOM 991 CG PHE A 65 7.558 -5.435 1.270 1.00 0.00 C ATOM 992 CD1 PHE A 65 7.467 -5.630 2.639 1.00 0.00 C ATOM 993 CD2 PHE A 65 6.456 -4.945 0.600 1.00 0.00 C ATOM 994 CE1 PHE A 65 6.302 -5.344 3.318 1.00 0.00 C ATOM 995 CE2 PHE A 65 5.292 -4.657 1.275 1.00 0.00 C ATOM 996 CZ PHE A 65 5.212 -4.857 2.634 1.00 0.00 C ATOM 0 H PHE A 65 7.441 -7.903 0.412 1.00 0.00 H new ATOM 0 HA PHE A 65 10.267 -7.261 0.062 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.584 -5.024 0.816 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.633 -5.578 -0.548 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.320 -6.011 3.181 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.508 -4.786 -0.467 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.245 -5.502 4.385 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.438 -4.273 0.736 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.297 -4.633 3.162 1.00 0.00 H new ATOM 1006 N THR A 66 10.803 -6.658 2.597 1.00 0.00 N ATOM 1007 CA THR A 66 11.201 -6.701 3.991 1.00 0.00 C ATOM 1008 C THR A 66 10.649 -5.500 4.751 1.00 0.00 C ATOM 1009 O THR A 66 10.118 -4.572 4.137 1.00 0.00 O ATOM 1010 CB THR A 66 12.733 -6.755 4.144 1.00 0.00 C ATOM 1011 OG1 THR A 66 13.348 -5.774 3.295 1.00 0.00 O ATOM 1012 CG2 THR A 66 13.260 -8.143 3.804 1.00 0.00 C ATOM 0 H THR A 66 11.349 -6.019 2.019 1.00 0.00 H new ATOM 0 HA THR A 66 10.783 -7.614 4.415 1.00 0.00 H new ATOM 0 HB THR A 66 12.983 -6.536 5.182 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.321 -5.814 3.400 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.344 -8.159 3.919 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.813 -8.876 4.475 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.000 -8.389 2.774 1.00 0.00 H new ATOM 1020 N ASN A 67 10.775 -5.507 6.071 1.00 0.00 N ATOM 1021 CA ASN A 67 10.240 -4.428 6.898 1.00 0.00 C ATOM 1022 C ASN A 67 10.863 -3.086 6.511 1.00 0.00 C ATOM 1023 O ASN A 67 10.186 -2.060 6.467 1.00 0.00 O ATOM 1024 CB ASN A 67 10.487 -4.728 8.378 1.00 0.00 C ATOM 1025 CG ASN A 67 9.807 -3.731 9.299 1.00 0.00 C ATOM 1026 OD1 ASN A 67 8.757 -3.181 8.974 1.00 0.00 O ATOM 1027 ND2 ASN A 67 10.400 -3.497 10.458 1.00 0.00 N ATOM 0 H ASN A 67 11.243 -6.247 6.595 1.00 0.00 H new ATOM 0 HA ASN A 67 9.165 -4.362 6.728 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.127 -5.731 8.606 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.560 -4.722 8.572 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.986 -2.840 11.119 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.271 -3.974 10.691 1.00 0.00 H new ATOM 1034 N GLU A 68 12.149 -3.101 6.186 1.00 0.00 N ATOM 1035 CA GLU A 68 12.838 -1.886 5.780 1.00 0.00 C ATOM 1036 C GLU A 68 12.470 -1.507 4.345 1.00 0.00 C ATOM 1037 O GLU A 68 12.456 -0.329 3.993 1.00 0.00 O ATOM 1038 CB GLU A 68 14.344 -2.069 5.940 1.00 0.00 C ATOM 1039 CG GLU A 68 14.786 -3.518 5.842 1.00 0.00 C ATOM 1040 CD GLU A 68 16.258 -3.692 6.128 1.00 0.00 C ATOM 1041 OE1 GLU A 68 17.085 -3.396 5.243 1.00 0.00 O ATOM 1042 OE2 GLU A 68 16.594 -4.113 7.252 1.00 0.00 O ATOM 0 H GLU A 68 12.733 -3.937 6.196 1.00 0.00 H new ATOM 0 HA GLU A 68 12.521 -1.065 6.423 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.857 -1.487 5.174 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.651 -1.667 6.905 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.209 -4.119 6.544 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.566 -3.895 4.843 1.00 0.00 H new ATOM 1049 N GLN A 69 12.141 -2.509 3.537 1.00 0.00 N ATOM 1050 CA GLN A 69 11.680 -2.274 2.171 1.00 0.00 C ATOM 1051 C GLN A 69 10.358 -1.523 2.201 1.00 0.00 C ATOM 1052 O GLN A 69 10.141 -0.580 1.445 1.00 0.00 O ATOM 1053 CB GLN A 69 11.487 -3.605 1.443 1.00 0.00 C ATOM 1054 CG GLN A 69 12.091 -3.650 0.046 1.00 0.00 C ATOM 1055 CD GLN A 69 11.290 -2.873 -0.979 1.00 0.00 C ATOM 1056 OE1 GLN A 69 11.850 -2.304 -1.910 1.00 0.00 O ATOM 1057 NE2 GLN A 69 9.968 -2.897 -0.865 1.00 0.00 N ATOM 0 H GLN A 69 12.185 -3.493 3.803 1.00 0.00 H new ATOM 0 HA GLN A 69 12.429 -1.682 1.644 1.00 0.00 H new ATOM 0 HB2 GLN A 69 11.929 -4.401 2.043 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.420 -3.815 1.371 1.00 0.00 H new ATOM 0 HG2 GLN A 69 13.105 -3.251 0.083 1.00 0.00 H new ATOM 0 HG3 GLN A 69 12.169 -4.689 -0.275 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.533 -3.379 -0.079 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.387 -2.433 -1.564 1.00 0.00 H new ATOM 1066 N ILE A 70 9.474 -1.947 3.090 1.00 0.00 N ATOM 1067 CA ILE A 70 8.174 -1.319 3.219 1.00 0.00 C ATOM 1068 C ILE A 70 8.264 -0.058 4.077 1.00 0.00 C ATOM 1069 O ILE A 70 7.352 0.759 4.101 1.00 0.00 O ATOM 1070 CB ILE A 70 7.121 -2.309 3.761 1.00 0.00 C ATOM 1071 CG1 ILE A 70 5.724 -1.691 3.754 1.00 0.00 C ATOM 1072 CG2 ILE A 70 7.472 -2.790 5.157 1.00 0.00 C ATOM 1073 CD1 ILE A 70 5.383 -1.035 2.441 1.00 0.00 C ATOM 0 H ILE A 70 9.635 -2.723 3.732 1.00 0.00 H new ATOM 0 HA ILE A 70 7.844 -1.018 2.225 1.00 0.00 H new ATOM 0 HB ILE A 70 7.122 -3.171 3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.988 -2.465 3.970 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.654 -0.953 4.553 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.708 -3.485 5.505 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.438 -3.294 5.136 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.522 -1.937 5.834 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.379 -0.614 2.495 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.100 -0.240 2.234 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.423 -1.776 1.643 1.00 0.00 H new ATOM 1085 N LYS A 71 9.376 0.107 4.771 1.00 0.00 N ATOM 1086 CA LYS A 71 9.686 1.381 5.397 1.00 0.00 C ATOM 1087 C LYS A 71 9.914 2.416 4.292 1.00 0.00 C ATOM 1088 O LYS A 71 9.412 3.554 4.345 1.00 0.00 O ATOM 1089 CB LYS A 71 10.925 1.236 6.290 1.00 0.00 C ATOM 1090 CG LYS A 71 11.229 2.454 7.147 1.00 0.00 C ATOM 1091 CD LYS A 71 12.570 3.078 6.785 1.00 0.00 C ATOM 1092 CE LYS A 71 13.725 2.109 6.977 1.00 0.00 C ATOM 1093 NZ LYS A 71 15.038 2.753 6.697 1.00 0.00 N ATOM 0 H LYS A 71 10.076 -0.620 4.915 1.00 0.00 H new ATOM 0 HA LYS A 71 8.861 1.709 6.030 1.00 0.00 H new ATOM 0 HB2 LYS A 71 10.789 0.373 6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.789 1.026 5.660 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.438 3.193 7.022 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.233 2.167 8.199 1.00 0.00 H new ATOM 0 HD2 LYS A 71 12.546 3.410 5.747 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.735 3.963 7.400 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.716 1.731 7.999 1.00 0.00 H new ATOM 0 HE3 LYS A 71 13.593 1.251 6.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 15.801 2.061 6.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 15.056 3.092 5.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.175 3.557 7.343 1.00 0.00 H new ATOM 1107 N GLU A 72 10.641 1.983 3.265 1.00 0.00 N ATOM 1108 CA GLU A 72 10.889 2.800 2.086 1.00 0.00 C ATOM 1109 C GLU A 72 9.582 3.102 1.362 1.00 0.00 C ATOM 1110 O GLU A 72 9.304 4.250 1.028 1.00 0.00 O ATOM 1111 CB GLU A 72 11.866 2.092 1.141 1.00 0.00 C ATOM 1112 CG GLU A 72 13.214 1.788 1.776 1.00 0.00 C ATOM 1113 CD GLU A 72 14.151 1.046 0.842 1.00 0.00 C ATOM 1114 OE1 GLU A 72 13.840 -0.103 0.467 1.00 0.00 O ATOM 1115 OE2 GLU A 72 15.217 1.601 0.497 1.00 0.00 O ATOM 0 H GLU A 72 11.072 1.059 3.229 1.00 0.00 H new ATOM 0 HA GLU A 72 11.334 3.742 2.407 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.416 1.160 0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 72 12.021 2.714 0.259 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.683 2.722 2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.060 1.193 2.676 1.00 0.00 H new ATOM 1122 N ILE A 73 8.769 2.073 1.142 1.00 0.00 N ATOM 1123 CA ILE A 73 7.477 2.264 0.490 1.00 0.00 C ATOM 1124 C ILE A 73 6.496 2.949 1.438 1.00 0.00 C ATOM 1125 O ILE A 73 5.441 3.403 1.021 1.00 0.00 O ATOM 1126 CB ILE A 73 6.819 0.958 -0.028 1.00 0.00 C ATOM 1127 CG1 ILE A 73 7.849 -0.025 -0.550 1.00 0.00 C ATOM 1128 CG2 ILE A 73 5.821 1.278 -1.129 1.00 0.00 C ATOM 1129 CD1 ILE A 73 7.252 -1.337 -1.004 1.00 0.00 C ATOM 0 H ILE A 73 8.978 1.109 1.402 1.00 0.00 H new ATOM 0 HA ILE A 73 7.692 2.885 -0.380 1.00 0.00 H new ATOM 0 HB ILE A 73 6.306 0.494 0.815 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.384 0.430 -1.384 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.583 -0.220 0.232 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.365 0.355 -1.486 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.047 1.938 -0.738 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.335 1.771 -1.954 1.00 0.00 H new ATOM 0 HD11 ILE A 73 8.045 -1.992 -1.365 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.741 -1.813 -0.167 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.539 -1.154 -1.808 1.00 0.00 H new ATOM 1141 N HIS A 74 6.830 3.016 2.719 1.00 0.00 N ATOM 1142 CA HIS A 74 5.990 3.743 3.662 1.00 0.00 C ATOM 1143 C HIS A 74 6.091 5.228 3.357 1.00 0.00 C ATOM 1144 O HIS A 74 5.076 5.906 3.196 1.00 0.00 O ATOM 1145 CB HIS A 74 6.388 3.459 5.116 1.00 0.00 C ATOM 1146 CG HIS A 74 5.393 3.961 6.125 1.00 0.00 C ATOM 1147 ND1 HIS A 74 4.508 3.138 6.793 1.00 0.00 N ATOM 1148 CD2 HIS A 74 5.149 5.214 6.581 1.00 0.00 C ATOM 1149 CE1 HIS A 74 3.764 3.865 7.608 1.00 0.00 C ATOM 1150 NE2 HIS A 74 4.133 5.125 7.499 1.00 0.00 N ATOM 0 H HIS A 74 7.661 2.585 3.125 1.00 0.00 H new ATOM 0 HA HIS A 74 4.959 3.408 3.548 1.00 0.00 H new ATOM 0 HB2 HIS A 74 6.513 2.384 5.246 1.00 0.00 H new ATOM 0 HB3 HIS A 74 7.356 3.918 5.314 1.00 0.00 H new ATOM 0 HD2 HIS A 74 5.660 6.116 6.278 1.00 0.00 H new ATOM 0 HE1 HIS A 74 2.985 3.489 8.255 1.00 0.00 H new ATOM 0 HE2 HIS A 74 3.729 5.908 8.014 1.00 0.00 H new ATOM 1159 N ASP A 75 7.320 5.730 3.252 1.00 0.00 N ATOM 1160 CA ASP A 75 7.520 7.113 2.821 1.00 0.00 C ATOM 1161 C ASP A 75 7.039 7.248 1.390 1.00 0.00 C ATOM 1162 O ASP A 75 6.383 8.210 1.019 1.00 0.00 O ATOM 1163 CB ASP A 75 8.994 7.519 2.888 1.00 0.00 C ATOM 1164 CG ASP A 75 9.179 8.966 3.318 1.00 0.00 C ATOM 1165 OD1 ASP A 75 9.126 9.876 2.462 1.00 0.00 O ATOM 1166 OD2 ASP A 75 9.384 9.195 4.528 1.00 0.00 O ATOM 0 H ASP A 75 8.176 5.213 3.454 1.00 0.00 H new ATOM 0 HA ASP A 75 6.958 7.766 3.489 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.516 6.866 3.587 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.453 7.372 1.910 1.00 0.00 H new ATOM 1171 N ALA A 76 7.348 6.234 0.606 1.00 0.00 N ATOM 1172 CA ALA A 76 6.995 6.195 -0.797 1.00 0.00 C ATOM 1173 C ALA A 76 5.495 6.294 -1.034 1.00 0.00 C ATOM 1174 O ALA A 76 5.052 7.042 -1.880 1.00 0.00 O ATOM 1175 CB ALA A 76 7.507 4.919 -1.410 1.00 0.00 C ATOM 0 H ALA A 76 7.854 5.409 0.928 1.00 0.00 H new ATOM 0 HA ALA A 76 7.457 7.064 -1.265 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.241 4.890 -2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.591 4.876 -1.308 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.060 4.066 -0.900 1.00 0.00 H new ATOM 1181 N ALA A 77 4.714 5.537 -0.299 1.00 0.00 N ATOM 1182 CA ALA A 77 3.297 5.440 -0.592 1.00 0.00 C ATOM 1183 C ALA A 77 2.476 6.468 0.180 1.00 0.00 C ATOM 1184 O ALA A 77 1.342 6.767 -0.191 1.00 0.00 O ATOM 1185 CB ALA A 77 2.811 4.028 -0.337 1.00 0.00 C ATOM 0 H ALA A 77 5.028 4.984 0.498 1.00 0.00 H new ATOM 0 HA ALA A 77 3.155 5.670 -1.648 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.746 3.964 -0.560 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.357 3.334 -0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.980 3.768 0.708 1.00 0.00 H new ATOM 1191 N THR A 78 3.039 7.017 1.246 1.00 0.00 N ATOM 1192 CA THR A 78 2.360 8.072 1.985 1.00 0.00 C ATOM 1193 C THR A 78 2.810 9.448 1.489 1.00 0.00 C ATOM 1194 O THR A 78 1.996 10.356 1.311 1.00 0.00 O ATOM 1195 CB THR A 78 2.608 7.942 3.504 1.00 0.00 C ATOM 1196 OG1 THR A 78 2.098 6.681 3.969 1.00 0.00 O ATOM 1197 CG2 THR A 78 1.944 9.074 4.277 1.00 0.00 C ATOM 0 H THR A 78 3.953 6.754 1.616 1.00 0.00 H new ATOM 0 HA THR A 78 1.290 7.967 1.809 1.00 0.00 H new ATOM 0 HB THR A 78 3.683 7.998 3.676 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.146 6.610 3.745 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.139 8.951 5.342 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.348 10.029 3.942 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.869 9.053 4.100 1.00 0.00 H new ATOM 1205 N ALA A 79 4.108 9.589 1.255 1.00 0.00 N ATOM 1206 CA ALA A 79 4.668 10.844 0.772 1.00 0.00 C ATOM 1207 C ALA A 79 4.833 10.842 -0.736 1.00 0.00 C ATOM 1208 O ALA A 79 5.230 11.853 -1.322 1.00 0.00 O ATOM 1209 CB ALA A 79 6.016 11.113 1.415 1.00 0.00 C ATOM 0 H ALA A 79 4.795 8.847 1.392 1.00 0.00 H new ATOM 0 HA ALA A 79 3.965 11.631 1.046 1.00 0.00 H new ATOM 0 HB1 ALA A 79 6.416 12.055 1.040 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.897 11.174 2.497 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.704 10.304 1.170 1.00 0.00 H new ATOM 1215 N CYS A 80 4.541 9.692 -1.360 1.00 0.00 N ATOM 1216 CA CYS A 80 4.775 9.492 -2.786 1.00 0.00 C ATOM 1217 C CYS A 80 6.242 9.780 -3.100 1.00 0.00 C ATOM 1218 O CYS A 80 6.588 10.376 -4.118 1.00 0.00 O ATOM 1219 CB CYS A 80 3.785 10.283 -3.664 1.00 0.00 C ATOM 1220 SG CYS A 80 2.725 11.482 -2.774 1.00 0.00 S ATOM 0 H CYS A 80 4.138 8.882 -0.888 1.00 0.00 H new ATOM 0 HA CYS A 80 4.579 8.450 -3.038 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.351 10.820 -4.425 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.142 9.574 -4.186 1.00 0.00 H new ATOM 1225 N ASP A 81 7.088 9.298 -2.187 1.00 0.00 N ATOM 1226 CA ASP A 81 8.530 9.541 -2.199 1.00 0.00 C ATOM 1227 C ASP A 81 9.280 8.227 -1.968 1.00 0.00 C ATOM 1228 O ASP A 81 9.694 7.939 -0.849 1.00 0.00 O ATOM 1229 CB ASP A 81 8.863 10.521 -1.067 1.00 0.00 C ATOM 1230 CG ASP A 81 10.298 11.030 -1.068 1.00 0.00 C ATOM 1231 OD1 ASP A 81 11.227 10.279 -1.441 1.00 0.00 O ATOM 1232 OD2 ASP A 81 10.501 12.204 -0.684 1.00 0.00 O ATOM 0 H ASP A 81 6.784 8.718 -1.405 1.00 0.00 H new ATOM 0 HA ASP A 81 8.829 9.955 -3.162 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.189 11.375 -1.134 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.666 10.033 -0.113 1.00 0.00 H new