USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=14 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 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 50:sc= 1.35 USER MOD Single : A 29 ASN : amide:sc= -3.08! K(o=-3.1!,f=-0.25) USER MOD Single : A 34 ASN : amide:sc= -3.47 K(o=-3.5,f=-0.42) USER MOD Single : A 37 GLN : amide:sc= -3.62! K(o=-3.6!,f=-1.3) USER MOD Single : A 38 GLN : amide:sc= -7.51! C(o=-7.5!,f=-13!) USER MOD Single : A 40 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.7!) USER MOD Single : A 43 ASN : amide:sc= -8.26! C(o=-8.3!,f=-4.6!) USER MOD Single : A 48 TYR OH : rot 97:sc= 1.02 USER MOD Single : A 50 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0399) USER MOD Single : A 51 MET CE :methyl 133:sc= -0.284 (180deg=-0.558) USER MOD Single : A 52 CYS SG : rot -16:sc= 0.00173 USER MOD Single : A 54 THR OG1 : rot -56:sc= 0.465 USER MOD Single : A 55 ASN : amide:sc= -3.89! K(o=-3.9!,f=-0.36) USER MOD Single : A 56 ASN : amide:sc= -4.49! C(o=-4.5!,f=-4.4!) USER MOD Single : A 59 GLN : amide:sc= 1.1 K(o=1.1,f=-0.0062) USER MOD Single : A 61 MET CE :methyl -106:sc= -5.08! (180deg=-11!) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -170:sc= -2.07 USER MOD Single : A 67 ASN : amide:sc= -0.267 X(o=-0.27,f=-0.46) USER MOD Single : A 69 GLN : amide:sc= -8.76! C(o=-8.8!,f=-9.6!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HE2:sc= 1.23 K(o=1.2,f=-5.2!) USER MOD Single : A 78 THR OG1 : rot -74:sc= 0.962 USER MOD ----------------------------------------------------------------- ATOM 196 N VAL A 14 -7.087 9.071 -0.007 1.00 0.00 N ATOM 197 CA VAL A 14 -7.135 9.277 -1.450 1.00 0.00 C ATOM 198 C VAL A 14 -5.900 10.046 -1.928 1.00 0.00 C ATOM 199 O VAL A 14 -5.420 9.842 -3.044 1.00 0.00 O ATOM 200 CB VAL A 14 -8.430 10.023 -1.864 1.00 0.00 C ATOM 201 CG1 VAL A 14 -8.304 10.640 -3.244 1.00 0.00 C ATOM 202 CG2 VAL A 14 -9.617 9.075 -1.830 1.00 0.00 C ATOM 0 HA VAL A 14 -7.140 8.297 -1.928 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.588 10.829 -1.148 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.231 11.154 -3.499 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.480 11.354 -3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.110 9.856 -3.977 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.520 9.611 -2.123 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.444 8.251 -2.522 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.740 8.682 -0.821 1.00 0.00 H new ATOM 212 N THR A 15 -5.383 10.927 -1.087 1.00 0.00 N ATOM 213 CA THR A 15 -4.100 11.550 -1.366 1.00 0.00 C ATOM 214 C THR A 15 -3.036 10.458 -1.446 1.00 0.00 C ATOM 215 O THR A 15 -2.302 10.340 -2.438 1.00 0.00 O ATOM 216 CB THR A 15 -3.720 12.568 -0.276 1.00 0.00 C ATOM 217 OG1 THR A 15 -4.847 13.406 0.016 1.00 0.00 O ATOM 218 CG2 THR A 15 -2.547 13.427 -0.725 1.00 0.00 C ATOM 0 H THR A 15 -5.825 11.224 -0.217 1.00 0.00 H new ATOM 0 HA THR A 15 -4.168 12.088 -2.311 1.00 0.00 H new ATOM 0 HB THR A 15 -3.427 12.022 0.620 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.603 14.052 0.711 1.00 0.00 H new ATOM 0 HG21 THR A 15 -2.296 14.139 0.061 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.686 12.790 -0.926 1.00 0.00 H new ATOM 0 HG23 THR A 15 -2.818 13.968 -1.632 1.00 0.00 H new ATOM 226 N GLU A 16 -2.992 9.628 -0.408 1.00 0.00 N ATOM 227 CA GLU A 16 -2.122 8.468 -0.397 1.00 0.00 C ATOM 228 C GLU A 16 -2.487 7.528 -1.538 1.00 0.00 C ATOM 229 O GLU A 16 -1.621 6.888 -2.097 1.00 0.00 O ATOM 230 CB GLU A 16 -2.202 7.737 0.945 1.00 0.00 C ATOM 231 CG GLU A 16 -1.731 8.577 2.117 1.00 0.00 C ATOM 232 CD GLU A 16 -1.842 7.848 3.439 1.00 0.00 C ATOM 233 OE1 GLU A 16 -2.975 7.684 3.931 1.00 0.00 O ATOM 234 OE2 GLU A 16 -0.798 7.469 4.012 1.00 0.00 O ATOM 0 H GLU A 16 -3.553 9.742 0.436 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.095 8.808 -0.535 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.232 7.427 1.121 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -1.600 6.830 0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.694 8.871 1.955 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.319 9.494 2.162 1.00 0.00 H new ATOM 241 N LEU A 17 -3.774 7.466 -1.889 1.00 0.00 N ATOM 242 CA LEU A 17 -4.237 6.677 -3.025 1.00 0.00 C ATOM 243 C LEU A 17 -3.412 6.982 -4.268 1.00 0.00 C ATOM 244 O LEU A 17 -2.861 6.083 -4.902 1.00 0.00 O ATOM 245 CB LEU A 17 -5.710 6.962 -3.320 1.00 0.00 C ATOM 246 CG LEU A 17 -6.626 5.747 -3.278 1.00 0.00 C ATOM 247 CD1 LEU A 17 -8.067 6.162 -3.517 1.00 0.00 C ATOM 248 CD2 LEU A 17 -6.193 4.710 -4.305 1.00 0.00 C ATOM 0 H LEU A 17 -4.518 7.959 -1.395 1.00 0.00 H new ATOM 0 HA LEU A 17 -4.119 5.625 -2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -6.073 7.696 -2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.785 7.419 -4.307 1.00 0.00 H new ATOM 0 HG LEU A 17 -6.554 5.297 -2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.709 5.282 -3.484 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -8.376 6.866 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.152 6.636 -4.495 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.861 3.850 -4.258 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.234 5.147 -5.303 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.173 4.389 -4.091 1.00 0.00 H new ATOM 260 N GLU A 18 -3.318 8.263 -4.596 1.00 0.00 N ATOM 261 CA GLU A 18 -2.551 8.705 -5.754 1.00 0.00 C ATOM 262 C GLU A 18 -1.057 8.499 -5.520 1.00 0.00 C ATOM 263 O GLU A 18 -0.289 8.311 -6.462 1.00 0.00 O ATOM 264 CB GLU A 18 -2.842 10.176 -6.051 1.00 0.00 C ATOM 265 CG GLU A 18 -4.311 10.457 -6.317 1.00 0.00 C ATOM 266 CD GLU A 18 -4.840 9.718 -7.531 1.00 0.00 C ATOM 267 OE1 GLU A 18 -4.524 10.133 -8.664 1.00 0.00 O ATOM 268 OE2 GLU A 18 -5.580 8.725 -7.358 1.00 0.00 O ATOM 0 H GLU A 18 -3.765 9.017 -4.075 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.851 8.107 -6.614 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -2.510 10.782 -5.208 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.257 10.487 -6.917 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.895 10.173 -5.441 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -4.451 11.528 -6.460 1.00 0.00 H new ATOM 275 N CYS A 19 -0.658 8.506 -4.255 1.00 0.00 N ATOM 276 CA CYS A 19 0.734 8.305 -3.885 1.00 0.00 C ATOM 277 C CYS A 19 1.032 6.816 -3.746 1.00 0.00 C ATOM 278 O CYS A 19 2.142 6.421 -3.408 1.00 0.00 O ATOM 279 CB CYS A 19 1.064 9.073 -2.603 1.00 0.00 C ATOM 280 SG CYS A 19 0.823 10.873 -2.767 1.00 0.00 S ATOM 0 H CYS A 19 -1.285 8.650 -3.464 1.00 0.00 H new ATOM 0 HA CYS A 19 1.374 8.699 -4.675 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.438 8.701 -1.792 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.099 8.875 -2.324 1.00 0.00 H new ATOM 285 N ILE A 20 -0.001 6.008 -3.933 1.00 0.00 N ATOM 286 CA ILE A 20 0.151 4.569 -4.114 1.00 0.00 C ATOM 287 C ILE A 20 0.131 4.233 -5.608 1.00 0.00 C ATOM 288 O ILE A 20 0.796 3.305 -6.067 1.00 0.00 O ATOM 289 CB ILE A 20 -0.976 3.781 -3.397 1.00 0.00 C ATOM 290 CG1 ILE A 20 -0.941 4.045 -1.892 1.00 0.00 C ATOM 291 CG2 ILE A 20 -0.853 2.289 -3.669 1.00 0.00 C ATOM 292 CD1 ILE A 20 -2.157 3.520 -1.155 1.00 0.00 C ATOM 0 H ILE A 20 -0.968 6.330 -3.964 1.00 0.00 H new ATOM 0 HA ILE A 20 1.104 4.276 -3.674 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.931 4.126 -3.792 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.046 3.586 -1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.859 5.118 -1.722 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.655 1.758 -3.155 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.926 2.107 -4.741 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.110 1.931 -3.305 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.063 3.743 -0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -3.055 3.997 -1.548 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -2.229 2.441 -1.294 1.00 0.00 H new ATOM 304 N ARG A 21 -0.623 5.026 -6.368 1.00 0.00 N ATOM 305 CA ARG A 21 -0.826 4.767 -7.794 1.00 0.00 C ATOM 306 C ARG A 21 0.335 5.257 -8.632 1.00 0.00 C ATOM 307 O ARG A 21 0.402 4.985 -9.829 1.00 0.00 O ATOM 308 CB ARG A 21 -2.076 5.460 -8.310 1.00 0.00 C ATOM 309 CG ARG A 21 -3.384 4.889 -7.800 1.00 0.00 C ATOM 310 CD ARG A 21 -4.565 5.662 -8.364 1.00 0.00 C ATOM 311 NE ARG A 21 -4.573 5.647 -9.827 1.00 0.00 N ATOM 312 CZ ARG A 21 -5.189 6.557 -10.583 1.00 0.00 C ATOM 313 NH1 ARG A 21 -5.788 7.601 -10.025 1.00 0.00 N ATOM 314 NH2 ARG A 21 -5.171 6.432 -11.905 1.00 0.00 N ATOM 0 H ARG A 21 -1.105 5.855 -6.020 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.920 3.685 -7.886 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.027 6.514 -8.038 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.076 5.412 -9.399 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.462 3.839 -8.082 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.404 4.929 -6.711 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.494 5.231 -7.991 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.527 6.693 -8.011 1.00 0.00 H new ATOM 0 HE ARG A 21 -4.075 4.892 -10.299 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.780 7.712 -9.011 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.257 8.293 -10.610 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.688 5.644 -12.336 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.640 7.124 -12.489 1.00 0.00 H new ATOM 328 N LEU A 22 1.238 5.991 -8.010 1.00 0.00 N ATOM 329 CA LEU A 22 2.387 6.554 -8.702 1.00 0.00 C ATOM 330 C LEU A 22 3.383 5.462 -9.123 1.00 0.00 C ATOM 331 O LEU A 22 4.506 5.758 -9.536 1.00 0.00 O ATOM 332 CB LEU A 22 3.041 7.643 -7.815 1.00 0.00 C ATOM 333 CG LEU A 22 3.849 7.215 -6.561 1.00 0.00 C ATOM 334 CD1 LEU A 22 3.339 5.925 -5.919 1.00 0.00 C ATOM 335 CD2 LEU A 22 5.333 7.117 -6.882 1.00 0.00 C ATOM 0 H LEU A 22 1.198 6.214 -7.016 1.00 0.00 H new ATOM 0 HA LEU A 22 2.052 7.025 -9.626 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.707 8.227 -8.450 1.00 0.00 H new ATOM 0 HB3 LEU A 22 2.249 8.314 -7.482 1.00 0.00 H new ATOM 0 HG LEU A 22 3.699 7.999 -5.819 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.950 5.686 -5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.302 6.058 -5.610 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.401 5.110 -6.641 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.879 6.816 -5.988 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.487 6.378 -7.668 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.697 8.087 -7.220 1.00 0.00 H new ATOM 347 N ARG A 23 2.937 4.200 -9.031 1.00 0.00 N ATOM 348 CA ARG A 23 3.757 3.010 -9.328 1.00 0.00 C ATOM 349 C ARG A 23 4.883 2.834 -8.307 1.00 0.00 C ATOM 350 O ARG A 23 5.520 1.784 -8.243 1.00 0.00 O ATOM 351 CB ARG A 23 4.324 3.063 -10.751 1.00 0.00 C ATOM 352 CG ARG A 23 3.246 3.131 -11.819 1.00 0.00 C ATOM 353 CD ARG A 23 3.834 3.127 -13.217 1.00 0.00 C ATOM 354 NE ARG A 23 4.461 1.846 -13.547 1.00 0.00 N ATOM 355 CZ ARG A 23 5.147 1.614 -14.666 1.00 0.00 C ATOM 356 NH1 ARG A 23 5.341 2.589 -15.542 1.00 0.00 N ATOM 357 NH2 ARG A 23 5.650 0.406 -14.895 1.00 0.00 N ATOM 0 H ARG A 23 1.985 3.972 -8.745 1.00 0.00 H new ATOM 0 HA ARG A 23 3.100 2.143 -9.257 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.975 3.932 -10.844 1.00 0.00 H new ATOM 0 HB3 ARG A 23 4.942 2.182 -10.923 1.00 0.00 H new ATOM 0 HG2 ARG A 23 2.570 2.283 -11.707 1.00 0.00 H new ATOM 0 HG3 ARG A 23 2.651 4.034 -11.678 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.048 3.343 -13.941 1.00 0.00 H new ATOM 0 HD3 ARG A 23 4.573 3.924 -13.301 1.00 0.00 H new ATOM 0 HE ARG A 23 4.367 1.082 -12.878 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.965 3.520 -15.361 1.00 0.00 H new ATOM 0 HH12 ARG A 23 5.866 2.409 -16.398 1.00 0.00 H new ATOM 0 HH21 ARG A 23 5.511 -0.342 -14.215 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.175 0.226 -15.751 1.00 0.00 H new ATOM 371 N ILE A 24 5.087 3.872 -7.508 1.00 0.00 N ATOM 372 CA ILE A 24 6.056 3.887 -6.425 1.00 0.00 C ATOM 373 C ILE A 24 7.467 3.622 -6.958 1.00 0.00 C ATOM 374 O ILE A 24 7.897 4.280 -7.906 1.00 0.00 O ATOM 375 CB ILE A 24 5.660 2.905 -5.289 1.00 0.00 C ATOM 376 CG1 ILE A 24 4.122 2.875 -5.143 1.00 0.00 C ATOM 377 CG2 ILE A 24 6.314 3.316 -3.981 1.00 0.00 C ATOM 378 CD1 ILE A 24 3.605 2.817 -3.716 1.00 0.00 C ATOM 0 H ILE A 24 4.570 4.747 -7.598 1.00 0.00 H new ATOM 0 HA ILE A 24 6.056 4.883 -5.983 1.00 0.00 H new ATOM 0 HB ILE A 24 6.011 1.905 -5.543 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.711 3.762 -5.625 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.739 2.011 -5.686 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.026 2.618 -3.195 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.398 3.305 -4.097 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.988 4.320 -3.711 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.515 2.800 -3.724 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.979 1.916 -3.230 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.950 3.694 -3.168 1.00 0.00 H new ATOM 390 N SER A 25 8.177 2.676 -6.371 1.00 0.00 N ATOM 391 CA SER A 25 9.532 2.364 -6.805 1.00 0.00 C ATOM 392 C SER A 25 10.000 1.016 -6.236 1.00 0.00 C ATOM 393 O SER A 25 10.473 0.166 -6.989 1.00 0.00 O ATOM 394 CB SER A 25 10.513 3.490 -6.438 1.00 0.00 C ATOM 395 OG SER A 25 11.833 3.181 -6.853 1.00 0.00 O ATOM 0 H SER A 25 7.841 2.109 -5.593 1.00 0.00 H new ATOM 0 HA SER A 25 9.517 2.281 -7.892 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.192 4.421 -6.905 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.497 3.652 -5.360 1.00 0.00 H new ATOM 0 HG SER A 25 12.433 3.916 -6.608 1.00 0.00 H new ATOM 401 N PRO A 26 9.906 0.821 -4.894 1.00 0.00 N ATOM 402 CA PRO A 26 10.221 -0.461 -4.214 1.00 0.00 C ATOM 403 C PRO A 26 9.541 -1.713 -4.804 1.00 0.00 C ATOM 404 O PRO A 26 8.987 -1.691 -5.901 1.00 0.00 O ATOM 405 CB PRO A 26 9.672 -0.201 -2.809 1.00 0.00 C ATOM 406 CG PRO A 26 9.930 1.233 -2.592 1.00 0.00 C ATOM 407 CD PRO A 26 9.579 1.872 -3.898 1.00 0.00 C ATOM 0 HA PRO A 26 11.283 -0.693 -4.295 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.608 -0.430 -2.746 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.175 -0.816 -2.063 1.00 0.00 H new ATOM 0 HG2 PRO A 26 9.321 1.628 -1.779 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.972 1.414 -2.327 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.526 2.151 -3.939 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.156 2.781 -4.069 1.00 0.00 H new ATOM 415 N GLU A 27 9.571 -2.810 -4.037 1.00 0.00 N ATOM 416 CA GLU A 27 8.859 -4.048 -4.398 1.00 0.00 C ATOM 417 C GLU A 27 7.354 -3.843 -4.416 1.00 0.00 C ATOM 418 O GLU A 27 6.602 -4.784 -4.650 1.00 0.00 O ATOM 419 CB GLU A 27 9.180 -5.199 -3.451 1.00 0.00 C ATOM 420 CG GLU A 27 10.617 -5.665 -3.530 1.00 0.00 C ATOM 421 CD GLU A 27 10.990 -6.162 -4.914 1.00 0.00 C ATOM 422 OE1 GLU A 27 10.819 -7.369 -5.185 1.00 0.00 O ATOM 423 OE2 GLU A 27 11.461 -5.350 -5.735 1.00 0.00 O ATOM 0 H GLU A 27 10.083 -2.868 -3.157 1.00 0.00 H new ATOM 0 HA GLU A 27 9.207 -4.306 -5.398 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.963 -4.889 -2.429 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.522 -6.038 -3.676 1.00 0.00 H new ATOM 0 HG2 GLU A 27 11.278 -4.844 -3.252 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.777 -6.463 -2.805 1.00 0.00 H new ATOM 430 N THR A 28 6.945 -2.617 -4.117 1.00 0.00 N ATOM 431 CA THR A 28 5.555 -2.198 -4.096 1.00 0.00 C ATOM 432 C THR A 28 4.661 -2.967 -5.079 1.00 0.00 C ATOM 433 O THR A 28 3.631 -3.500 -4.680 1.00 0.00 O ATOM 434 CB THR A 28 5.498 -0.698 -4.450 1.00 0.00 C ATOM 435 OG1 THR A 28 4.143 -0.257 -4.557 1.00 0.00 O ATOM 436 CG2 THR A 28 6.225 -0.445 -5.758 1.00 0.00 C ATOM 0 H THR A 28 7.592 -1.867 -3.876 1.00 0.00 H new ATOM 0 HA THR A 28 5.173 -2.405 -3.096 1.00 0.00 H new ATOM 0 HB THR A 28 5.985 -0.137 -3.653 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.642 -0.546 -3.766 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.180 0.617 -6.000 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.267 -0.751 -5.660 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.752 -1.019 -6.554 1.00 0.00 H new ATOM 444 N ASN A 29 5.062 -3.067 -6.337 1.00 0.00 N ATOM 445 CA ASN A 29 4.200 -3.668 -7.332 1.00 0.00 C ATOM 446 C ASN A 29 4.087 -5.158 -7.096 1.00 0.00 C ATOM 447 O ASN A 29 3.000 -5.649 -6.866 1.00 0.00 O ATOM 448 CB ASN A 29 4.676 -3.357 -8.749 1.00 0.00 C ATOM 449 CG ASN A 29 4.257 -1.967 -9.210 1.00 0.00 C ATOM 450 OD1 ASN A 29 4.086 -1.728 -10.401 1.00 0.00 O ATOM 451 ND2 ASN A 29 4.072 -1.044 -8.272 1.00 0.00 N ATOM 0 H ASN A 29 5.965 -2.744 -6.685 1.00 0.00 H new ATOM 0 HA ASN A 29 3.206 -3.231 -7.231 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.762 -3.439 -8.791 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.274 -4.101 -9.436 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.779 -0.103 -8.534 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.223 -1.277 -7.291 1.00 0.00 H new ATOM 458 N ALA A 30 5.210 -5.864 -7.085 1.00 0.00 N ATOM 459 CA ALA A 30 5.197 -7.305 -6.849 1.00 0.00 C ATOM 460 C ALA A 30 4.524 -7.627 -5.513 1.00 0.00 C ATOM 461 O ALA A 30 3.549 -8.392 -5.445 1.00 0.00 O ATOM 462 CB ALA A 30 6.621 -7.847 -6.858 1.00 0.00 C ATOM 0 H ALA A 30 6.137 -5.467 -7.236 1.00 0.00 H new ATOM 0 HA ALA A 30 4.627 -7.781 -7.647 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.602 -8.922 -6.681 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.081 -7.646 -7.826 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.200 -7.360 -6.073 1.00 0.00 H new ATOM 468 N ALA A 31 5.031 -6.985 -4.467 1.00 0.00 N ATOM 469 CA ALA A 31 4.612 -7.253 -3.104 1.00 0.00 C ATOM 470 C ALA A 31 3.131 -6.976 -2.889 1.00 0.00 C ATOM 471 O ALA A 31 2.368 -7.891 -2.593 1.00 0.00 O ATOM 472 CB ALA A 31 5.448 -6.438 -2.137 1.00 0.00 C ATOM 0 H ALA A 31 5.746 -6.262 -4.545 1.00 0.00 H new ATOM 0 HA ALA A 31 4.768 -8.315 -2.916 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.128 -6.644 -1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.499 -6.706 -2.249 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.320 -5.377 -2.350 1.00 0.00 H new ATOM 478 N PHE A 32 2.712 -5.721 -3.003 1.00 0.00 N ATOM 479 CA PHE A 32 1.306 -5.398 -2.801 1.00 0.00 C ATOM 480 C PHE A 32 0.418 -6.118 -3.807 1.00 0.00 C ATOM 481 O PHE A 32 -0.709 -6.442 -3.496 1.00 0.00 O ATOM 482 CB PHE A 32 1.053 -3.893 -2.872 1.00 0.00 C ATOM 483 CG PHE A 32 2.021 -3.165 -2.023 1.00 0.00 C ATOM 484 CD1 PHE A 32 2.405 -3.713 -0.822 1.00 0.00 C ATOM 485 CD2 PHE A 32 2.615 -2.002 -2.454 1.00 0.00 C ATOM 486 CE1 PHE A 32 3.377 -3.122 -0.072 1.00 0.00 C ATOM 487 CE2 PHE A 32 3.574 -1.394 -1.690 1.00 0.00 C ATOM 488 CZ PHE A 32 3.961 -1.967 -0.503 1.00 0.00 C ATOM 0 H PHE A 32 3.311 -4.927 -3.229 1.00 0.00 H new ATOM 0 HA PHE A 32 1.050 -5.742 -1.799 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.137 -3.552 -3.904 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.037 -3.673 -2.546 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.933 -4.618 -0.470 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.324 -1.567 -3.399 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.685 -3.567 0.863 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.024 -0.469 -2.019 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.732 -1.500 0.092 1.00 0.00 H new ATOM 498 N ASP A 33 0.926 -6.419 -4.998 1.00 0.00 N ATOM 499 CA ASP A 33 0.074 -6.990 -6.026 1.00 0.00 C ATOM 500 C ASP A 33 -0.432 -8.332 -5.559 1.00 0.00 C ATOM 501 O ASP A 33 -1.633 -8.572 -5.573 1.00 0.00 O ATOM 502 CB ASP A 33 0.790 -7.135 -7.365 1.00 0.00 C ATOM 503 CG ASP A 33 -0.172 -7.430 -8.497 1.00 0.00 C ATOM 504 OD1 ASP A 33 -0.823 -6.485 -8.997 1.00 0.00 O ATOM 505 OD2 ASP A 33 -0.296 -8.608 -8.884 1.00 0.00 O ATOM 0 H ASP A 33 1.900 -6.280 -5.268 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.759 -6.306 -6.187 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.337 -6.218 -7.584 1.00 0.00 H new ATOM 0 HB3 ASP A 33 1.526 -7.936 -7.297 1.00 0.00 H new ATOM 510 N ASN A 34 0.475 -9.194 -5.097 1.00 0.00 N ATOM 511 CA ASN A 34 0.048 -10.476 -4.542 1.00 0.00 C ATOM 512 C ASN A 34 -0.509 -10.313 -3.122 1.00 0.00 C ATOM 513 O ASN A 34 -1.208 -11.188 -2.607 1.00 0.00 O ATOM 514 CB ASN A 34 1.151 -11.549 -4.602 1.00 0.00 C ATOM 515 CG ASN A 34 2.518 -11.113 -4.113 1.00 0.00 C ATOM 516 OD1 ASN A 34 3.527 -11.385 -4.760 1.00 0.00 O ATOM 517 ND2 ASN A 34 2.575 -10.506 -2.950 1.00 0.00 N ATOM 0 H ASN A 34 1.482 -9.034 -5.095 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.761 -10.836 -5.177 1.00 0.00 H new ATOM 0 HB2 ASN A 34 0.830 -12.407 -4.011 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.246 -11.890 -5.633 1.00 0.00 H new ATOM 0 HD21 ASN A 34 3.478 -10.244 -2.555 1.00 0.00 H new ATOM 0 HD22 ASN A 34 1.716 -10.296 -2.441 1.00 0.00 H new ATOM 524 N ALA A 35 -0.229 -9.176 -2.506 1.00 0.00 N ATOM 525 CA ALA A 35 -0.772 -8.860 -1.187 1.00 0.00 C ATOM 526 C ALA A 35 -2.262 -8.505 -1.263 1.00 0.00 C ATOM 527 O ALA A 35 -3.115 -9.174 -0.668 1.00 0.00 O ATOM 528 CB ALA A 35 0.004 -7.720 -0.558 1.00 0.00 C ATOM 0 H ALA A 35 0.373 -8.451 -2.897 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.670 -9.749 -0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.412 -7.495 0.424 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.050 -8.007 -0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.068 -6.837 -1.193 1.00 0.00 H new ATOM 534 N VAL A 36 -2.579 -7.447 -1.993 1.00 0.00 N ATOM 535 CA VAL A 36 -3.949 -7.058 -2.213 1.00 0.00 C ATOM 536 C VAL A 36 -4.608 -8.033 -3.185 1.00 0.00 C ATOM 537 O VAL A 36 -5.805 -7.973 -3.436 1.00 0.00 O ATOM 538 CB VAL A 36 -4.036 -5.579 -2.683 1.00 0.00 C ATOM 539 CG1 VAL A 36 -2.722 -4.835 -2.459 1.00 0.00 C ATOM 540 CG2 VAL A 36 -4.475 -5.436 -4.127 1.00 0.00 C ATOM 0 H VAL A 36 -1.893 -6.842 -2.444 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.501 -7.109 -1.275 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.808 -5.124 -2.063 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.824 -3.805 -2.801 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.476 -4.843 -1.397 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.926 -5.326 -3.019 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.515 -4.379 -4.392 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.763 -5.946 -4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.463 -5.880 -4.253 1.00 0.00 H new ATOM 550 N GLN A 37 -3.793 -8.934 -3.718 1.00 0.00 N ATOM 551 CA GLN A 37 -4.278 -10.157 -4.340 1.00 0.00 C ATOM 552 C GLN A 37 -4.961 -11.044 -3.297 1.00 0.00 C ATOM 553 O GLN A 37 -6.071 -11.523 -3.518 1.00 0.00 O ATOM 554 CB GLN A 37 -3.105 -10.889 -4.978 1.00 0.00 C ATOM 555 CG GLN A 37 -3.385 -12.335 -5.346 1.00 0.00 C ATOM 556 CD GLN A 37 -2.196 -13.014 -5.996 1.00 0.00 C ATOM 557 OE1 GLN A 37 -2.008 -14.220 -5.853 1.00 0.00 O ATOM 558 NE2 GLN A 37 -1.386 -12.252 -6.715 1.00 0.00 N ATOM 0 H GLN A 37 -2.778 -8.837 -3.731 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.010 -9.912 -5.109 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.804 -10.351 -5.877 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.259 -10.860 -4.291 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.667 -12.886 -4.449 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.237 -12.374 -6.025 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.575 -11.254 -6.810 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.573 -12.663 -7.173 1.00 0.00 H new ATOM 567 N GLN A 38 -4.275 -11.261 -2.168 1.00 0.00 N ATOM 568 CA GLN A 38 -4.853 -11.977 -1.022 1.00 0.00 C ATOM 569 C GLN A 38 -6.204 -11.407 -0.656 1.00 0.00 C ATOM 570 O GLN A 38 -7.228 -12.086 -0.716 1.00 0.00 O ATOM 571 CB GLN A 38 -3.966 -11.840 0.212 1.00 0.00 C ATOM 572 CG GLN A 38 -2.620 -12.501 0.095 1.00 0.00 C ATOM 573 CD GLN A 38 -1.641 -11.904 1.069 1.00 0.00 C ATOM 574 OE1 GLN A 38 -0.790 -12.598 1.601 1.00 0.00 O ATOM 575 NE2 GLN A 38 -1.747 -10.590 1.279 1.00 0.00 N ATOM 0 H GLN A 38 -3.315 -10.950 -2.023 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.941 -13.022 -1.319 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.818 -10.780 0.421 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.490 -12.264 1.069 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.718 -13.570 0.282 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.242 -12.388 -0.921 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.477 -10.056 0.809 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -1.098 -10.120 1.910 1.00 0.00 H new ATOM 584 N LEU A 39 -6.180 -10.140 -0.266 1.00 0.00 N ATOM 585 CA LEU A 39 -7.386 -9.448 0.180 1.00 0.00 C ATOM 586 C LEU A 39 -8.346 -9.306 -0.981 1.00 0.00 C ATOM 587 O LEU A 39 -9.564 -9.223 -0.817 1.00 0.00 O ATOM 588 CB LEU A 39 -7.042 -8.061 0.728 1.00 0.00 C ATOM 589 CG LEU A 39 -5.554 -7.719 0.734 1.00 0.00 C ATOM 590 CD1 LEU A 39 -5.356 -6.240 0.982 1.00 0.00 C ATOM 591 CD2 LEU A 39 -4.812 -8.528 1.790 1.00 0.00 C ATOM 0 H LEU A 39 -5.336 -9.567 -0.249 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.849 -10.033 0.975 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.569 -7.312 0.136 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.421 -7.986 1.747 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.145 -7.974 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.290 -6.011 0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.849 -5.670 0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.786 -5.972 1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.754 -8.265 1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.225 -8.307 2.774 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.925 -9.591 1.579 1.00 0.00 H new ATOM 603 N ASN A 40 -7.740 -9.288 -2.161 1.00 0.00 N ATOM 604 CA ASN A 40 -8.438 -9.214 -3.434 1.00 0.00 C ATOM 605 C ASN A 40 -9.304 -7.973 -3.500 1.00 0.00 C ATOM 606 O ASN A 40 -10.387 -7.971 -4.081 1.00 0.00 O ATOM 607 CB ASN A 40 -9.240 -10.486 -3.660 1.00 0.00 C ATOM 608 CG ASN A 40 -9.531 -10.745 -5.129 1.00 0.00 C ATOM 609 OD1 ASN A 40 -8.773 -10.331 -6.007 1.00 0.00 O ATOM 610 ND2 ASN A 40 -10.626 -11.435 -5.410 1.00 0.00 N ATOM 0 H ASN A 40 -6.725 -9.325 -2.260 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.708 -9.134 -4.240 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.692 -11.334 -3.248 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.181 -10.419 -3.114 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.865 -11.640 -6.380 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -11.230 -11.762 -4.656 1.00 0.00 H new ATOM 617 N CYS A 41 -8.795 -6.913 -2.889 1.00 0.00 N ATOM 618 CA CYS A 41 -9.420 -5.608 -2.958 1.00 0.00 C ATOM 619 C CYS A 41 -9.228 -5.014 -4.345 1.00 0.00 C ATOM 620 O CYS A 41 -9.939 -4.087 -4.733 1.00 0.00 O ATOM 621 CB CYS A 41 -8.787 -4.674 -1.930 1.00 0.00 C ATOM 622 SG CYS A 41 -9.192 -5.027 -0.187 1.00 0.00 S ATOM 0 H CYS A 41 -7.940 -6.937 -2.334 1.00 0.00 H new ATOM 0 HA CYS A 41 -10.484 -5.719 -2.749 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.704 -4.714 -2.048 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -9.094 -3.653 -2.156 1.00 0.00 H new ATOM 627 N LEU A 42 -8.248 -5.568 -5.072 1.00 0.00 N ATOM 628 CA LEU A 42 -7.786 -5.033 -6.361 1.00 0.00 C ATOM 629 C LEU A 42 -7.091 -3.689 -6.152 1.00 0.00 C ATOM 630 O LEU A 42 -5.941 -3.496 -6.540 1.00 0.00 O ATOM 631 CB LEU A 42 -8.944 -4.898 -7.361 1.00 0.00 C ATOM 632 CG LEU A 42 -8.548 -4.402 -8.754 1.00 0.00 C ATOM 633 CD1 LEU A 42 -7.544 -5.350 -9.396 1.00 0.00 C ATOM 634 CD2 LEU A 42 -9.781 -4.260 -9.633 1.00 0.00 C ATOM 0 H LEU A 42 -7.749 -6.408 -4.779 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.070 -5.738 -6.784 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.430 -5.868 -7.463 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.684 -4.213 -6.946 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.078 -3.424 -8.651 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -7.275 -4.980 -10.385 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.650 -5.408 -8.775 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.987 -6.342 -9.488 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.485 -3.907 -10.621 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -10.274 -5.227 -9.727 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -10.469 -3.544 -9.182 1.00 0.00 H new ATOM 646 N ASN A 43 -7.803 -2.777 -5.522 1.00 0.00 N ATOM 647 CA ASN A 43 -7.268 -1.486 -5.138 1.00 0.00 C ATOM 648 C ASN A 43 -6.310 -1.629 -3.965 1.00 0.00 C ATOM 649 O ASN A 43 -6.663 -2.151 -2.904 1.00 0.00 O ATOM 650 CB ASN A 43 -8.429 -0.547 -4.818 1.00 0.00 C ATOM 651 CG ASN A 43 -8.014 0.707 -4.089 1.00 0.00 C ATOM 652 OD1 ASN A 43 -7.564 1.676 -4.696 1.00 0.00 O ATOM 653 ND2 ASN A 43 -8.170 0.692 -2.776 1.00 0.00 N ATOM 0 H ASN A 43 -8.779 -2.912 -5.259 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.693 -1.061 -5.961 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.926 -0.268 -5.747 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.161 -1.082 -4.213 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.912 1.509 -2.222 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.548 -0.137 -2.317 1.00 0.00 H new ATOM 660 N ARG A 44 -5.095 -1.142 -4.171 1.00 0.00 N ATOM 661 CA ARG A 44 -4.010 -1.324 -3.217 1.00 0.00 C ATOM 662 C ARG A 44 -4.194 -0.428 -2.002 1.00 0.00 C ATOM 663 O ARG A 44 -3.555 -0.629 -0.971 1.00 0.00 O ATOM 664 CB ARG A 44 -2.646 -1.043 -3.870 1.00 0.00 C ATOM 665 CG ARG A 44 -2.160 -2.133 -4.821 1.00 0.00 C ATOM 666 CD ARG A 44 -2.958 -2.163 -6.117 1.00 0.00 C ATOM 667 NE ARG A 44 -2.509 -3.226 -7.019 1.00 0.00 N ATOM 668 CZ ARG A 44 -3.028 -3.443 -8.230 1.00 0.00 C ATOM 669 NH1 ARG A 44 -4.009 -2.671 -8.684 1.00 0.00 N ATOM 670 NH2 ARG A 44 -2.575 -4.432 -8.989 1.00 0.00 N ATOM 0 H ARG A 44 -4.834 -0.611 -5.002 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.034 -2.364 -2.891 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.707 -0.102 -4.417 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.903 -0.907 -3.084 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.106 -1.971 -5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.234 -3.102 -4.328 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.014 -2.305 -5.888 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.868 -1.200 -6.620 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.755 -3.837 -6.703 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -4.368 -1.910 -8.107 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.404 -2.839 -9.609 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.825 -5.033 -8.649 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.977 -4.591 -9.913 1.00 0.00 H new ATOM 684 N ALA A 45 -5.072 0.556 -2.120 1.00 0.00 N ATOM 685 CA ALA A 45 -5.357 1.439 -1.002 1.00 0.00 C ATOM 686 C ALA A 45 -6.197 0.720 0.048 1.00 0.00 C ATOM 687 O ALA A 45 -6.071 0.985 1.239 1.00 0.00 O ATOM 688 CB ALA A 45 -6.052 2.697 -1.480 1.00 0.00 C ATOM 0 H ALA A 45 -5.595 0.762 -2.971 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.412 1.728 -0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.257 3.345 -0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.410 3.221 -2.188 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -6.990 2.432 -1.968 1.00 0.00 H new ATOM 694 N CYS A 46 -7.046 -0.196 -0.410 1.00 0.00 N ATOM 695 CA CYS A 46 -7.822 -1.059 0.480 1.00 0.00 C ATOM 696 C CYS A 46 -6.856 -1.859 1.328 1.00 0.00 C ATOM 697 O CYS A 46 -6.997 -1.988 2.543 1.00 0.00 O ATOM 698 CB CYS A 46 -8.697 -2.004 -0.359 1.00 0.00 C ATOM 699 SG CYS A 46 -9.690 -3.208 0.593 1.00 0.00 S ATOM 0 H CYS A 46 -7.216 -0.362 -1.402 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.469 -0.462 1.122 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -9.372 -1.402 -0.967 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -8.053 -2.553 -1.046 1.00 0.00 H new ATOM 704 N ALA A 47 -5.851 -2.359 0.642 1.00 0.00 N ATOM 705 CA ALA A 47 -4.768 -3.099 1.253 1.00 0.00 C ATOM 706 C ALA A 47 -4.057 -2.267 2.315 1.00 0.00 C ATOM 707 O ALA A 47 -4.073 -2.601 3.506 1.00 0.00 O ATOM 708 CB ALA A 47 -3.795 -3.489 0.169 1.00 0.00 C ATOM 0 H ALA A 47 -5.762 -2.262 -0.369 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.170 -3.984 1.746 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.968 -4.049 0.606 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.303 -4.109 -0.570 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.410 -2.591 -0.314 1.00 0.00 H new ATOM 714 N TYR A 48 -3.447 -1.180 1.858 1.00 0.00 N ATOM 715 CA TYR A 48 -2.676 -0.285 2.716 1.00 0.00 C ATOM 716 C TYR A 48 -3.512 0.220 3.893 1.00 0.00 C ATOM 717 O TYR A 48 -3.048 0.221 5.036 1.00 0.00 O ATOM 718 CB TYR A 48 -2.128 0.902 1.899 1.00 0.00 C ATOM 719 CG TYR A 48 -0.625 0.849 1.662 1.00 0.00 C ATOM 720 CD1 TYR A 48 0.221 0.347 2.644 1.00 0.00 C ATOM 721 CD2 TYR A 48 -0.045 1.315 0.473 1.00 0.00 C ATOM 722 CE1 TYR A 48 1.590 0.306 2.459 1.00 0.00 C ATOM 723 CE2 TYR A 48 1.322 1.268 0.289 1.00 0.00 C ATOM 724 CZ TYR A 48 2.133 0.765 1.281 1.00 0.00 C ATOM 725 OH TYR A 48 3.496 0.737 1.097 1.00 0.00 O ATOM 0 H TYR A 48 -3.472 -0.893 0.880 1.00 0.00 H new ATOM 0 HA TYR A 48 -1.838 -0.852 3.121 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.637 0.932 0.935 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.371 1.830 2.417 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.200 -0.018 3.569 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.675 1.715 -0.307 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.231 -0.085 3.236 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.755 1.626 -0.633 1.00 0.00 H new ATOM 0 HH TYR A 48 3.741 -0.066 0.591 1.00 0.00 H new ATOM 735 N ARG A 49 -4.755 0.611 3.625 1.00 0.00 N ATOM 736 CA ARG A 49 -5.604 1.178 4.662 1.00 0.00 C ATOM 737 C ARG A 49 -6.106 0.112 5.629 1.00 0.00 C ATOM 738 O ARG A 49 -6.432 0.419 6.771 1.00 0.00 O ATOM 739 CB ARG A 49 -6.796 1.933 4.068 1.00 0.00 C ATOM 740 CG ARG A 49 -7.599 2.683 5.122 1.00 0.00 C ATOM 741 CD ARG A 49 -8.792 3.407 4.532 1.00 0.00 C ATOM 742 NE ARG A 49 -9.506 4.188 5.543 1.00 0.00 N ATOM 743 CZ ARG A 49 -10.619 4.882 5.298 1.00 0.00 C ATOM 744 NH1 ARG A 49 -11.153 4.871 4.085 1.00 0.00 N ATOM 745 NH2 ARG A 49 -11.195 5.583 6.270 1.00 0.00 N ATOM 0 H ARG A 49 -5.192 0.545 2.706 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.983 1.883 5.214 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.437 2.639 3.319 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.448 1.227 3.554 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -7.943 1.980 5.881 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.952 3.403 5.624 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -8.458 4.067 3.732 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.472 2.683 4.084 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.130 4.203 6.491 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -10.713 4.332 3.339 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.004 5.401 3.898 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -10.786 5.591 7.204 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.046 6.113 6.081 1.00 0.00 H new ATOM 759 N LYS A 50 -6.160 -1.143 5.201 1.00 0.00 N ATOM 760 CA LYS A 50 -6.638 -2.178 6.089 1.00 0.00 C ATOM 761 C LYS A 50 -5.522 -2.583 7.032 1.00 0.00 C ATOM 762 O LYS A 50 -5.778 -2.969 8.164 1.00 0.00 O ATOM 763 CB LYS A 50 -7.183 -3.386 5.335 1.00 0.00 C ATOM 764 CG LYS A 50 -8.052 -4.281 6.211 1.00 0.00 C ATOM 765 CD LYS A 50 -9.329 -3.570 6.637 1.00 0.00 C ATOM 766 CE LYS A 50 -10.005 -4.258 7.815 1.00 0.00 C ATOM 767 NZ LYS A 50 -10.315 -5.686 7.541 1.00 0.00 N ATOM 0 H LYS A 50 -5.886 -1.457 4.270 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.473 -1.774 6.662 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.767 -3.043 4.481 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.351 -3.969 4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -8.305 -5.191 5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.490 -4.584 7.095 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.097 -2.539 6.905 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.020 -3.533 5.795 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.358 -4.192 8.690 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.927 -3.730 8.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.849 -6.085 8.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.884 -5.757 6.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.429 -6.216 7.418 1.00 0.00 H new ATOM 781 N MET A 51 -4.274 -2.478 6.571 1.00 0.00 N ATOM 782 CA MET A 51 -3.133 -2.603 7.473 1.00 0.00 C ATOM 783 C MET A 51 -3.156 -1.453 8.470 1.00 0.00 C ATOM 784 O MET A 51 -2.927 -1.641 9.665 1.00 0.00 O ATOM 785 CB MET A 51 -1.809 -2.600 6.711 1.00 0.00 C ATOM 786 CG MET A 51 -0.598 -2.771 7.614 1.00 0.00 C ATOM 787 SD MET A 51 0.960 -2.788 6.709 1.00 0.00 S ATOM 788 CE MET A 51 0.976 -1.132 6.026 1.00 0.00 C ATOM 0 H MET A 51 -4.032 -2.310 5.595 1.00 0.00 H new ATOM 0 HA MET A 51 -3.212 -3.556 7.995 1.00 0.00 H new ATOM 0 HB2 MET A 51 -1.820 -3.402 5.973 1.00 0.00 H new ATOM 0 HB3 MET A 51 -1.715 -1.663 6.162 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.579 -1.961 8.344 1.00 0.00 H new ATOM 0 HG3 MET A 51 -0.697 -3.702 8.173 1.00 0.00 H new ATOM 0 HE1 MET A 51 1.953 -0.679 6.193 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.775 -1.178 4.956 1.00 0.00 H new ATOM 0 HE3 MET A 51 0.209 -0.530 6.514 1.00 0.00 H new ATOM 798 N CYS A 52 -3.457 -0.271 7.949 1.00 0.00 N ATOM 799 CA CYS A 52 -3.651 0.929 8.754 1.00 0.00 C ATOM 800 C CYS A 52 -4.767 0.711 9.778 1.00 0.00 C ATOM 801 O CYS A 52 -4.733 1.263 10.877 1.00 0.00 O ATOM 802 CB CYS A 52 -3.982 2.095 7.812 1.00 0.00 C ATOM 803 SG CYS A 52 -4.530 3.643 8.603 1.00 0.00 S ATOM 0 H CYS A 52 -3.574 -0.116 6.948 1.00 0.00 H new ATOM 0 HA CYS A 52 -2.742 1.160 9.310 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.098 2.312 7.212 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.762 1.768 7.124 1.00 0.00 H new ATOM 0 HG CYS A 52 -4.875 3.403 9.833 1.00 0.00 H new ATOM 808 N ALA A 53 -5.740 -0.113 9.408 1.00 0.00 N ATOM 809 CA ALA A 53 -6.847 -0.446 10.290 1.00 0.00 C ATOM 810 C ALA A 53 -6.450 -1.524 11.295 1.00 0.00 C ATOM 811 O ALA A 53 -6.466 -1.294 12.504 1.00 0.00 O ATOM 812 CB ALA A 53 -8.045 -0.901 9.468 1.00 0.00 C ATOM 0 H ALA A 53 -5.782 -0.565 8.495 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.117 0.448 10.852 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.871 -1.149 10.135 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.350 -0.100 8.795 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.773 -1.781 8.885 1.00 0.00 H new ATOM 818 N THR A 54 -6.098 -2.701 10.786 1.00 0.00 N ATOM 819 CA THR A 54 -5.750 -3.828 11.633 1.00 0.00 C ATOM 820 C THR A 54 -5.062 -4.932 10.813 1.00 0.00 C ATOM 821 O THR A 54 -5.291 -6.123 11.030 1.00 0.00 O ATOM 822 CB THR A 54 -7.011 -4.379 12.348 1.00 0.00 C ATOM 823 OG1 THR A 54 -6.650 -5.385 13.303 1.00 0.00 O ATOM 824 CG2 THR A 54 -8.020 -4.946 11.349 1.00 0.00 C ATOM 0 H THR A 54 -6.047 -2.895 9.786 1.00 0.00 H new ATOM 0 HA THR A 54 -5.048 -3.484 12.393 1.00 0.00 H new ATOM 0 HB THR A 54 -7.482 -3.545 12.869 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.147 -6.097 12.854 1.00 0.00 H new ATOM 0 HG21 THR A 54 -8.891 -5.323 11.886 1.00 0.00 H new ATOM 0 HG22 THR A 54 -8.330 -4.161 10.660 1.00 0.00 H new ATOM 0 HG23 THR A 54 -7.559 -5.759 10.788 1.00 0.00 H new ATOM 832 N ASN A 55 -4.211 -4.508 9.872 1.00 0.00 N ATOM 833 CA ASN A 55 -3.445 -5.414 9.002 1.00 0.00 C ATOM 834 C ASN A 55 -4.350 -6.115 7.991 1.00 0.00 C ATOM 835 O ASN A 55 -5.571 -6.130 8.143 1.00 0.00 O ATOM 836 CB ASN A 55 -2.653 -6.446 9.824 1.00 0.00 C ATOM 837 CG ASN A 55 -1.704 -5.806 10.822 1.00 0.00 C ATOM 838 OD1 ASN A 55 -2.086 -5.495 11.950 1.00 0.00 O ATOM 839 ND2 ASN A 55 -0.457 -5.621 10.423 1.00 0.00 N ATOM 0 H ASN A 55 -4.032 -3.521 9.690 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.732 -4.802 8.450 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -3.351 -7.091 10.357 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.084 -7.083 9.147 1.00 0.00 H new ATOM 0 HD21 ASN A 55 0.226 -5.208 11.058 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.178 -5.892 9.480 1.00 0.00 H new ATOM 846 N ASN A 56 -3.735 -6.697 6.958 1.00 0.00 N ATOM 847 CA ASN A 56 -4.471 -7.305 5.851 1.00 0.00 C ATOM 848 C ASN A 56 -3.508 -7.691 4.742 1.00 0.00 C ATOM 849 O ASN A 56 -3.229 -8.867 4.512 1.00 0.00 O ATOM 850 CB ASN A 56 -5.513 -6.337 5.274 1.00 0.00 C ATOM 851 CG ASN A 56 -6.579 -7.039 4.455 1.00 0.00 C ATOM 852 OD1 ASN A 56 -6.819 -8.234 4.618 1.00 0.00 O ATOM 853 ND2 ASN A 56 -7.246 -6.290 3.592 1.00 0.00 N ATOM 0 H ASN A 56 -2.721 -6.759 6.867 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.981 -8.187 6.239 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.988 -5.793 6.091 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -5.010 -5.599 4.650 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.992 -6.700 3.030 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -7.014 -5.302 3.488 1.00 0.00 H new ATOM 860 N LEU A 57 -2.980 -6.675 4.073 1.00 0.00 N ATOM 861 CA LEU A 57 -2.164 -6.872 2.882 1.00 0.00 C ATOM 862 C LEU A 57 -0.768 -7.329 3.243 1.00 0.00 C ATOM 863 O LEU A 57 -0.083 -7.967 2.441 1.00 0.00 O ATOM 864 CB LEU A 57 -2.084 -5.572 2.084 1.00 0.00 C ATOM 865 CG LEU A 57 -0.927 -4.630 2.441 1.00 0.00 C ATOM 866 CD1 LEU A 57 -0.719 -3.593 1.348 1.00 0.00 C ATOM 867 CD2 LEU A 57 -1.181 -3.939 3.768 1.00 0.00 C ATOM 0 H LEU A 57 -3.104 -5.698 4.338 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.635 -7.647 2.277 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.008 -5.823 1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.021 -5.030 2.216 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.023 -5.233 2.530 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.106 -2.936 1.622 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.486 -4.096 0.409 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.628 -3.003 1.228 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.347 -3.277 3.999 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.100 -3.356 3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.279 -4.687 4.555 1.00 0.00 H new ATOM 879 N GLU A 58 -0.372 -7.016 4.465 1.00 0.00 N ATOM 880 CA GLU A 58 1.005 -7.205 4.900 1.00 0.00 C ATOM 881 C GLU A 58 1.466 -8.656 4.810 1.00 0.00 C ATOM 882 O GLU A 58 2.656 -8.919 4.837 1.00 0.00 O ATOM 883 CB GLU A 58 1.239 -6.629 6.310 1.00 0.00 C ATOM 884 CG GLU A 58 0.080 -6.762 7.288 1.00 0.00 C ATOM 885 CD GLU A 58 -0.340 -8.190 7.534 1.00 0.00 C ATOM 886 OE1 GLU A 58 0.457 -8.960 8.104 1.00 0.00 O ATOM 887 OE2 GLU A 58 -1.482 -8.533 7.174 1.00 0.00 O ATOM 0 H GLU A 58 -0.988 -6.627 5.179 1.00 0.00 H new ATOM 0 HA GLU A 58 1.622 -6.642 4.200 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.110 -7.121 6.742 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.486 -5.572 6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.362 -6.306 8.237 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.773 -6.201 6.906 1.00 0.00 H new ATOM 894 N GLN A 59 0.536 -9.582 4.654 1.00 0.00 N ATOM 895 CA GLN A 59 0.882 -10.993 4.562 1.00 0.00 C ATOM 896 C GLN A 59 1.867 -11.278 3.409 1.00 0.00 C ATOM 897 O GLN A 59 3.055 -11.538 3.643 1.00 0.00 O ATOM 898 CB GLN A 59 -0.397 -11.808 4.396 1.00 0.00 C ATOM 899 CG GLN A 59 -1.321 -11.743 5.599 1.00 0.00 C ATOM 900 CD GLN A 59 -2.667 -12.382 5.327 1.00 0.00 C ATOM 901 OE1 GLN A 59 -2.860 -13.577 5.553 1.00 0.00 O ATOM 902 NE2 GLN A 59 -3.613 -11.590 4.849 1.00 0.00 N ATOM 0 H GLN A 59 -0.463 -9.385 4.588 1.00 0.00 H new ATOM 0 HA GLN A 59 1.390 -11.283 5.482 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -0.934 -11.451 3.517 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.133 -12.849 4.207 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.848 -12.243 6.444 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.467 -10.702 5.886 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.414 -10.605 4.675 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.542 -11.965 4.655 1.00 0.00 H new ATOM 911 N ALA A 60 1.404 -11.149 2.171 1.00 0.00 N ATOM 912 CA ALA A 60 2.215 -11.510 1.009 1.00 0.00 C ATOM 913 C ALA A 60 3.276 -10.469 0.731 1.00 0.00 C ATOM 914 O ALA A 60 4.440 -10.803 0.529 1.00 0.00 O ATOM 915 CB ALA A 60 1.352 -11.704 -0.225 1.00 0.00 C ATOM 0 H ALA A 60 0.474 -10.798 1.944 1.00 0.00 H new ATOM 0 HA ALA A 60 2.707 -12.453 1.245 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.983 -11.972 -1.072 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.631 -12.501 -0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.821 -10.778 -0.447 1.00 0.00 H new ATOM 921 N MET A 61 2.860 -9.209 0.670 1.00 0.00 N ATOM 922 CA MET A 61 3.805 -8.109 0.520 1.00 0.00 C ATOM 923 C MET A 61 5.011 -8.249 1.468 1.00 0.00 C ATOM 924 O MET A 61 6.147 -8.126 1.020 1.00 0.00 O ATOM 925 CB MET A 61 3.108 -6.756 0.720 1.00 0.00 C ATOM 926 CG MET A 61 2.728 -6.440 2.153 1.00 0.00 C ATOM 927 SD MET A 61 2.255 -4.715 2.379 1.00 0.00 S ATOM 928 CE MET A 61 2.659 -4.440 4.099 1.00 0.00 C ATOM 0 H MET A 61 1.882 -8.925 0.722 1.00 0.00 H new ATOM 0 HA MET A 61 4.189 -8.152 -0.499 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.764 -5.968 0.351 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.207 -6.734 0.107 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.901 -7.083 2.456 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.568 -6.672 2.808 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.742 -4.400 4.686 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.286 -5.255 4.460 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.196 -3.497 4.200 1.00 0.00 H new ATOM 938 N SER A 62 4.781 -8.545 2.756 1.00 0.00 N ATOM 939 CA SER A 62 5.892 -8.658 3.713 1.00 0.00 C ATOM 940 C SER A 62 6.679 -9.953 3.497 1.00 0.00 C ATOM 941 O SER A 62 7.832 -10.056 3.909 1.00 0.00 O ATOM 942 CB SER A 62 5.398 -8.580 5.157 1.00 0.00 C ATOM 943 OG SER A 62 6.478 -8.521 6.077 1.00 0.00 O ATOM 0 H SER A 62 3.856 -8.708 3.153 1.00 0.00 H new ATOM 0 HA SER A 62 6.556 -7.813 3.533 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.767 -7.700 5.279 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.779 -9.449 5.378 1.00 0.00 H new ATOM 0 HG SER A 62 6.127 -8.470 6.991 1.00 0.00 H new ATOM 949 N VAL A 63 6.046 -10.956 2.890 1.00 0.00 N ATOM 950 CA VAL A 63 6.778 -12.147 2.450 1.00 0.00 C ATOM 951 C VAL A 63 7.782 -11.775 1.354 1.00 0.00 C ATOM 952 O VAL A 63 8.918 -12.254 1.340 1.00 0.00 O ATOM 953 CB VAL A 63 5.827 -13.247 1.915 1.00 0.00 C ATOM 954 CG1 VAL A 63 6.610 -14.377 1.262 1.00 0.00 C ATOM 955 CG2 VAL A 63 4.955 -13.791 3.032 1.00 0.00 C ATOM 0 H VAL A 63 5.045 -10.971 2.693 1.00 0.00 H new ATOM 0 HA VAL A 63 7.302 -12.542 3.320 1.00 0.00 H new ATOM 0 HB VAL A 63 5.185 -12.794 1.159 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.918 -15.135 0.896 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.191 -13.983 0.428 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.283 -14.824 1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 63 4.295 -14.562 2.635 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.586 -14.219 3.811 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.357 -12.983 3.453 1.00 0.00 H new ATOM 965 N TYR A 64 7.351 -10.908 0.446 1.00 0.00 N ATOM 966 CA TYR A 64 8.174 -10.495 -0.683 1.00 0.00 C ATOM 967 C TYR A 64 9.236 -9.468 -0.283 1.00 0.00 C ATOM 968 O TYR A 64 10.434 -9.718 -0.432 1.00 0.00 O ATOM 969 CB TYR A 64 7.292 -9.937 -1.803 1.00 0.00 C ATOM 970 CG TYR A 64 6.999 -10.941 -2.894 1.00 0.00 C ATOM 971 CD1 TYR A 64 6.329 -12.124 -2.616 1.00 0.00 C ATOM 972 CD2 TYR A 64 7.405 -10.707 -4.200 1.00 0.00 C ATOM 973 CE1 TYR A 64 6.069 -13.045 -3.613 1.00 0.00 C ATOM 974 CE2 TYR A 64 7.151 -11.622 -5.202 1.00 0.00 C ATOM 975 CZ TYR A 64 6.485 -12.789 -4.904 1.00 0.00 C ATOM 976 OH TYR A 64 6.228 -13.704 -5.902 1.00 0.00 O ATOM 0 H TYR A 64 6.428 -10.474 0.471 1.00 0.00 H new ATOM 0 HA TYR A 64 8.700 -11.380 -1.041 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.351 -9.591 -1.376 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.782 -9.068 -2.242 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.006 -12.328 -1.606 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.929 -9.793 -4.437 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.543 -13.960 -3.383 1.00 0.00 H new ATOM 0 HE2 TYR A 64 7.473 -11.423 -6.214 1.00 0.00 H new ATOM 0 HH TYR A 64 6.586 -13.371 -6.751 1.00 0.00 H new ATOM 986 N PHE A 65 8.805 -8.321 0.223 1.00 0.00 N ATOM 987 CA PHE A 65 9.739 -7.266 0.595 1.00 0.00 C ATOM 988 C PHE A 65 10.177 -7.434 2.048 1.00 0.00 C ATOM 989 O PHE A 65 9.570 -8.187 2.806 1.00 0.00 O ATOM 990 CB PHE A 65 9.120 -5.868 0.352 1.00 0.00 C ATOM 991 CG PHE A 65 7.864 -5.567 1.123 1.00 0.00 C ATOM 992 CD1 PHE A 65 7.812 -5.709 2.499 1.00 0.00 C ATOM 993 CD2 PHE A 65 6.740 -5.118 0.461 1.00 0.00 C ATOM 994 CE1 PHE A 65 6.665 -5.416 3.195 1.00 0.00 C ATOM 995 CE2 PHE A 65 5.588 -4.825 1.153 1.00 0.00 C ATOM 996 CZ PHE A 65 5.553 -4.974 2.521 1.00 0.00 C ATOM 0 H PHE A 65 7.823 -8.098 0.385 1.00 0.00 H new ATOM 0 HA PHE A 65 10.623 -7.347 -0.038 1.00 0.00 H new ATOM 0 HB2 PHE A 65 9.866 -5.113 0.600 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.904 -5.766 -0.712 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.685 -6.055 3.032 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.765 -4.995 -0.612 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.638 -5.533 4.268 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.712 -4.479 0.624 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.649 -4.743 3.065 1.00 0.00 H new ATOM 1006 N THR A 66 11.233 -6.743 2.428 1.00 0.00 N ATOM 1007 CA THR A 66 11.698 -6.771 3.802 1.00 0.00 C ATOM 1008 C THR A 66 11.127 -5.592 4.588 1.00 0.00 C ATOM 1009 O THR A 66 10.493 -4.710 4.006 1.00 0.00 O ATOM 1010 CB THR A 66 13.231 -6.732 3.858 1.00 0.00 C ATOM 1011 OG1 THR A 66 13.709 -5.662 3.034 1.00 0.00 O ATOM 1012 CG2 THR A 66 13.826 -8.049 3.386 1.00 0.00 C ATOM 0 H THR A 66 11.786 -6.155 1.805 1.00 0.00 H new ATOM 0 HA THR A 66 11.351 -7.701 4.253 1.00 0.00 H new ATOM 0 HB THR A 66 13.538 -6.570 4.891 1.00 0.00 H new ATOM 0 HG1 THR A 66 14.682 -5.731 2.941 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.914 -7.995 3.435 1.00 0.00 H new ATOM 0 HG22 THR A 66 13.473 -8.858 4.026 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.518 -8.239 2.358 1.00 0.00 H new ATOM 1020 N ASN A 67 11.344 -5.572 5.899 1.00 0.00 N ATOM 1021 CA ASN A 67 10.860 -4.472 6.731 1.00 0.00 C ATOM 1022 C ASN A 67 11.436 -3.141 6.253 1.00 0.00 C ATOM 1023 O ASN A 67 10.721 -2.148 6.151 1.00 0.00 O ATOM 1024 CB ASN A 67 11.199 -4.714 8.208 1.00 0.00 C ATOM 1025 CG ASN A 67 12.680 -4.950 8.444 1.00 0.00 C ATOM 1026 OD1 ASN A 67 13.157 -6.079 8.356 1.00 0.00 O ATOM 1027 ND2 ASN A 67 13.418 -3.897 8.756 1.00 0.00 N ATOM 0 H ASN A 67 11.848 -6.299 6.407 1.00 0.00 H new ATOM 0 HA ASN A 67 9.775 -4.427 6.637 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.875 -3.855 8.795 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.637 -5.576 8.568 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.416 -4.008 8.932 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.988 -2.974 8.820 1.00 0.00 H new ATOM 1034 N GLU A 68 12.723 -3.138 5.934 1.00 0.00 N ATOM 1035 CA GLU A 68 13.388 -1.952 5.409 1.00 0.00 C ATOM 1036 C GLU A 68 12.788 -1.544 4.067 1.00 0.00 C ATOM 1037 O GLU A 68 12.578 -0.359 3.796 1.00 0.00 O ATOM 1038 CB GLU A 68 14.886 -2.226 5.269 1.00 0.00 C ATOM 1039 CG GLU A 68 15.197 -3.680 4.954 1.00 0.00 C ATOM 1040 CD GLU A 68 16.614 -3.896 4.474 1.00 0.00 C ATOM 1041 OE1 GLU A 68 17.544 -3.856 5.304 1.00 0.00 O ATOM 1042 OE2 GLU A 68 16.806 -4.115 3.260 1.00 0.00 O ATOM 0 H GLU A 68 13.332 -3.950 6.031 1.00 0.00 H new ATOM 0 HA GLU A 68 13.240 -1.126 6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.293 -1.594 4.480 1.00 0.00 H new ATOM 0 HB3 GLU A 68 15.389 -1.945 6.194 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.027 -4.283 5.846 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.504 -4.036 4.192 1.00 0.00 H new ATOM 1049 N GLN A 69 12.487 -2.543 3.248 1.00 0.00 N ATOM 1050 CA GLN A 69 11.875 -2.319 1.949 1.00 0.00 C ATOM 1051 C GLN A 69 10.539 -1.601 2.103 1.00 0.00 C ATOM 1052 O GLN A 69 10.221 -0.688 1.345 1.00 0.00 O ATOM 1053 CB GLN A 69 11.653 -3.656 1.248 1.00 0.00 C ATOM 1054 CG GLN A 69 12.169 -3.717 -0.180 1.00 0.00 C ATOM 1055 CD GLN A 69 11.319 -2.918 -1.146 1.00 0.00 C ATOM 1056 OE1 GLN A 69 11.805 -2.411 -2.149 1.00 0.00 O ATOM 1057 NE2 GLN A 69 10.028 -2.813 -0.861 1.00 0.00 N ATOM 0 H GLN A 69 12.660 -3.525 3.465 1.00 0.00 H new ATOM 0 HA GLN A 69 12.543 -1.697 1.353 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.138 -4.440 1.829 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.585 -3.876 1.244 1.00 0.00 H new ATOM 0 HG2 GLN A 69 13.192 -3.342 -0.208 1.00 0.00 H new ATOM 0 HG3 GLN A 69 12.201 -4.757 -0.506 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.655 -3.248 -0.017 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.408 -2.298 -1.486 1.00 0.00 H new ATOM 1066 N ILE A 70 9.750 -2.019 3.085 1.00 0.00 N ATOM 1067 CA ILE A 70 8.439 -1.431 3.281 1.00 0.00 C ATOM 1068 C ILE A 70 8.521 -0.153 4.119 1.00 0.00 C ATOM 1069 O ILE A 70 7.556 0.598 4.215 1.00 0.00 O ATOM 1070 CB ILE A 70 7.422 -2.449 3.861 1.00 0.00 C ATOM 1071 CG1 ILE A 70 6.022 -1.843 3.938 1.00 0.00 C ATOM 1072 CG2 ILE A 70 7.840 -2.982 5.218 1.00 0.00 C ATOM 1073 CD1 ILE A 70 5.549 -1.286 2.617 1.00 0.00 C ATOM 0 H ILE A 70 9.994 -2.754 3.749 1.00 0.00 H new ATOM 0 HA ILE A 70 8.061 -1.148 2.298 1.00 0.00 H new ATOM 0 HB ILE A 70 7.404 -3.294 3.173 1.00 0.00 H new ATOM 0 HG12 ILE A 70 5.320 -2.605 4.277 1.00 0.00 H new ATOM 0 HG13 ILE A 70 6.016 -1.049 4.684 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.093 -3.690 5.577 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.803 -3.484 5.131 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.925 -2.155 5.923 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.549 -0.869 2.735 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.232 -0.503 2.287 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.525 -2.083 1.874 1.00 0.00 H new ATOM 1085 N LYS A 71 9.679 0.110 4.706 1.00 0.00 N ATOM 1086 CA LYS A 71 9.959 1.444 5.219 1.00 0.00 C ATOM 1087 C LYS A 71 9.956 2.401 4.043 1.00 0.00 C ATOM 1088 O LYS A 71 9.282 3.441 4.060 1.00 0.00 O ATOM 1089 CB LYS A 71 11.311 1.496 5.941 1.00 0.00 C ATOM 1090 CG LYS A 71 11.385 0.651 7.207 1.00 0.00 C ATOM 1091 CD LYS A 71 10.857 1.377 8.440 1.00 0.00 C ATOM 1092 CE LYS A 71 9.367 1.671 8.360 1.00 0.00 C ATOM 1093 NZ LYS A 71 8.847 2.221 9.641 1.00 0.00 N ATOM 0 H LYS A 71 10.429 -0.569 4.838 1.00 0.00 H new ATOM 0 HA LYS A 71 9.197 1.722 5.947 1.00 0.00 H new ATOM 0 HB2 LYS A 71 12.089 1.165 5.253 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.532 2.532 6.198 1.00 0.00 H new ATOM 0 HG2 LYS A 71 10.814 -0.265 7.059 1.00 0.00 H new ATOM 0 HG3 LYS A 71 12.420 0.357 7.381 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.056 0.772 9.325 1.00 0.00 H new ATOM 0 HD3 LYS A 71 11.401 2.313 8.565 1.00 0.00 H new ATOM 0 HE2 LYS A 71 9.179 2.382 7.555 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.828 0.757 8.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.828 2.410 9.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.005 1.532 10.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.344 3.106 9.866 1.00 0.00 H new ATOM 1107 N GLU A 72 10.680 1.999 3.001 1.00 0.00 N ATOM 1108 CA GLU A 72 10.732 2.758 1.764 1.00 0.00 C ATOM 1109 C GLU A 72 9.336 2.987 1.212 1.00 0.00 C ATOM 1110 O GLU A 72 8.922 4.124 1.042 1.00 0.00 O ATOM 1111 CB GLU A 72 11.581 2.032 0.725 1.00 0.00 C ATOM 1112 CG GLU A 72 12.996 1.756 1.192 1.00 0.00 C ATOM 1113 CD GLU A 72 13.828 1.063 0.138 1.00 0.00 C ATOM 1114 OE1 GLU A 72 14.251 1.738 -0.818 1.00 0.00 O ATOM 1115 OE2 GLU A 72 14.079 -0.152 0.272 1.00 0.00 O ATOM 0 H GLU A 72 11.240 1.146 2.994 1.00 0.00 H new ATOM 0 HA GLU A 72 11.186 3.724 1.984 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.100 1.088 0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.617 2.629 -0.186 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.474 2.696 1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 72 12.965 1.139 2.090 1.00 0.00 H new ATOM 1122 N ILE A 73 8.600 1.903 0.956 1.00 0.00 N ATOM 1123 CA ILE A 73 7.255 2.014 0.385 1.00 0.00 C ATOM 1124 C ILE A 73 6.288 2.680 1.364 1.00 0.00 C ATOM 1125 O ILE A 73 5.216 3.132 0.965 1.00 0.00 O ATOM 1126 CB ILE A 73 6.640 0.664 -0.069 1.00 0.00 C ATOM 1127 CG1 ILE A 73 7.699 -0.414 -0.243 1.00 0.00 C ATOM 1128 CG2 ILE A 73 5.896 0.865 -1.376 1.00 0.00 C ATOM 1129 CD1 ILE A 73 7.136 -1.779 -0.568 1.00 0.00 C ATOM 0 H ILE A 73 8.908 0.947 1.133 1.00 0.00 H new ATOM 0 HA ILE A 73 7.389 2.630 -0.505 1.00 0.00 H new ATOM 0 HB ILE A 73 5.954 0.329 0.709 1.00 0.00 H new ATOM 0 HG12 ILE A 73 8.381 -0.114 -1.039 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.287 -0.483 0.672 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.463 -0.082 -1.697 1.00 0.00 H new ATOM 0 HG22 ILE A 73 5.102 1.598 -1.234 1.00 0.00 H new ATOM 0 HG23 ILE A 73 6.588 1.224 -2.137 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.953 -2.493 -0.677 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.477 -2.102 0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.572 -1.728 -1.499 1.00 0.00 H new ATOM 1141 N HIS A 74 6.654 2.728 2.640 1.00 0.00 N ATOM 1142 CA HIS A 74 5.867 3.461 3.629 1.00 0.00 C ATOM 1143 C HIS A 74 5.865 4.940 3.289 1.00 0.00 C ATOM 1144 O HIS A 74 4.818 5.525 3.013 1.00 0.00 O ATOM 1145 CB HIS A 74 6.420 3.248 5.047 1.00 0.00 C ATOM 1146 CG HIS A 74 5.824 4.157 6.083 1.00 0.00 C ATOM 1147 ND1 HIS A 74 6.462 5.290 6.545 1.00 0.00 N ATOM 1148 CD2 HIS A 74 4.646 4.097 6.748 1.00 0.00 C ATOM 1149 CE1 HIS A 74 5.704 5.885 7.445 1.00 0.00 C ATOM 1150 NE2 HIS A 74 4.596 5.181 7.589 1.00 0.00 N ATOM 0 H HIS A 74 7.486 2.271 3.014 1.00 0.00 H new ATOM 0 HA HIS A 74 4.846 3.080 3.604 1.00 0.00 H new ATOM 0 HB2 HIS A 74 6.243 2.214 5.342 1.00 0.00 H new ATOM 0 HB3 HIS A 74 7.500 3.394 5.029 1.00 0.00 H new ATOM 0 HD1 HIS A 74 7.378 5.617 6.238 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.886 3.337 6.637 1.00 0.00 H new ATOM 0 HE1 HIS A 74 5.948 6.794 7.975 1.00 0.00 H new ATOM 1159 N ASP A 75 7.046 5.542 3.286 1.00 0.00 N ATOM 1160 CA ASP A 75 7.164 6.957 2.991 1.00 0.00 C ATOM 1161 C ASP A 75 6.971 7.182 1.504 1.00 0.00 C ATOM 1162 O ASP A 75 6.601 8.261 1.063 1.00 0.00 O ATOM 1163 CB ASP A 75 8.511 7.494 3.477 1.00 0.00 C ATOM 1164 CG ASP A 75 8.624 7.407 4.990 1.00 0.00 C ATOM 1165 OD1 ASP A 75 8.708 6.285 5.528 1.00 0.00 O ATOM 1166 OD2 ASP A 75 8.608 8.462 5.658 1.00 0.00 O ATOM 0 H ASP A 75 7.930 5.073 3.484 1.00 0.00 H new ATOM 0 HA ASP A 75 6.387 7.507 3.522 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.319 6.926 3.016 1.00 0.00 H new ATOM 0 HB3 ASP A 75 8.628 8.530 3.160 1.00 0.00 H new ATOM 1171 N ALA A 76 7.192 6.132 0.742 1.00 0.00 N ATOM 1172 CA ALA A 76 6.918 6.135 -0.680 1.00 0.00 C ATOM 1173 C ALA A 76 5.444 6.335 -0.962 1.00 0.00 C ATOM 1174 O ALA A 76 5.068 7.203 -1.723 1.00 0.00 O ATOM 1175 CB ALA A 76 7.354 4.829 -1.289 1.00 0.00 C ATOM 0 H ALA A 76 7.567 5.250 1.091 1.00 0.00 H new ATOM 0 HA ALA A 76 7.474 6.963 -1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.145 4.839 -2.359 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.424 4.692 -1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.810 4.009 -0.820 1.00 0.00 H new ATOM 1181 N ALA A 77 4.608 5.530 -0.347 1.00 0.00 N ATOM 1182 CA ALA A 77 3.200 5.524 -0.686 1.00 0.00 C ATOM 1183 C ALA A 77 2.417 6.581 0.093 1.00 0.00 C ATOM 1184 O ALA A 77 1.334 6.987 -0.324 1.00 0.00 O ATOM 1185 CB ALA A 77 2.631 4.138 -0.476 1.00 0.00 C ATOM 0 H ALA A 77 4.875 4.874 0.387 1.00 0.00 H new ATOM 0 HA ALA A 77 3.100 5.787 -1.739 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.571 4.137 -0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.159 3.428 -1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.752 3.849 0.568 1.00 0.00 H new ATOM 1191 N THR A 78 2.964 7.038 1.210 1.00 0.00 N ATOM 1192 CA THR A 78 2.330 8.106 1.971 1.00 0.00 C ATOM 1193 C THR A 78 2.823 9.481 1.504 1.00 0.00 C ATOM 1194 O THR A 78 2.034 10.409 1.335 1.00 0.00 O ATOM 1195 CB THR A 78 2.572 7.939 3.487 1.00 0.00 C ATOM 1196 OG1 THR A 78 1.935 6.740 3.950 1.00 0.00 O ATOM 1197 CG2 THR A 78 2.038 9.132 4.272 1.00 0.00 C ATOM 0 H THR A 78 3.837 6.691 1.607 1.00 0.00 H new ATOM 0 HA THR A 78 1.257 8.041 1.789 1.00 0.00 H new ATOM 0 HB THR A 78 3.648 7.877 3.650 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.966 6.881 3.995 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.225 8.981 5.335 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.541 10.040 3.940 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.966 9.229 4.102 1.00 0.00 H new ATOM 1205 N ALA A 79 4.126 9.603 1.270 1.00 0.00 N ATOM 1206 CA ALA A 79 4.704 10.872 0.830 1.00 0.00 C ATOM 1207 C ALA A 79 4.833 10.922 -0.682 1.00 0.00 C ATOM 1208 O ALA A 79 5.244 11.940 -1.244 1.00 0.00 O ATOM 1209 CB ALA A 79 6.070 11.103 1.454 1.00 0.00 C ATOM 0 H ALA A 79 4.800 8.845 1.376 1.00 0.00 H new ATOM 0 HA ALA A 79 4.025 11.659 1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 79 6.472 12.055 1.107 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.975 11.124 2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.744 10.297 1.164 1.00 0.00 H new ATOM 1215 N CYS A 80 4.488 9.804 -1.329 1.00 0.00 N ATOM 1216 CA CYS A 80 4.693 9.623 -2.761 1.00 0.00 C ATOM 1217 C CYS A 80 6.165 9.854 -3.080 1.00 0.00 C ATOM 1218 O CYS A 80 6.526 10.554 -4.024 1.00 0.00 O ATOM 1219 CB CYS A 80 3.756 10.504 -3.600 1.00 0.00 C ATOM 1220 SG CYS A 80 2.693 11.654 -2.648 1.00 0.00 S ATOM 0 H CYS A 80 4.059 9.001 -0.870 1.00 0.00 H new ATOM 0 HA CYS A 80 4.434 8.600 -3.034 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.360 11.087 -4.296 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.116 9.856 -4.199 1.00 0.00 H new ATOM 1225 N ASP A 81 7.001 9.205 -2.268 1.00 0.00 N ATOM 1226 CA ASP A 81 8.431 9.477 -2.215 1.00 0.00 C ATOM 1227 C ASP A 81 9.214 8.184 -1.950 1.00 0.00 C ATOM 1228 O ASP A 81 9.669 7.949 -0.834 1.00 0.00 O ATOM 1229 CB ASP A 81 8.671 10.462 -1.071 1.00 0.00 C ATOM 1230 CG ASP A 81 10.029 11.115 -1.120 1.00 0.00 C ATOM 1231 OD1 ASP A 81 10.332 11.768 -2.138 1.00 0.00 O ATOM 1232 OD2 ASP A 81 10.780 11.020 -0.123 1.00 0.00 O ATOM 0 H ASP A 81 6.699 8.472 -1.626 1.00 0.00 H new ATOM 0 HA ASP A 81 8.769 9.890 -3.165 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.903 11.235 -1.099 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.562 9.938 -0.121 1.00 0.00 H new