USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=15 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 Set 1.1: A 54 THR OG1 : rot 180:sc= -0.183 USER MOD Set 1.2: A 55 ASN : amide:sc= 0.0202 K(o=-0.16,f=-1.8!) 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 61:sc= -1.13! USER MOD Single : A 29 ASN :FLIP amide:sc= -1.73 F(o=-4.5!,f=-1.7) USER MOD Single : A 34 ASN : amide:sc= -3.64! C(o=-3.6!,f=-11!) USER MOD Single : A 37 GLN :FLIP amide:sc= -2.29! C(o=-7.3!,f=-2.3!) USER MOD Single : A 38 GLN : amide:sc= -16! C(o=-16!,f=-17!) USER MOD Single : A 40 ASN : amide:sc= -0.0467 X(o=-0.047,f=-0.28) USER MOD Single : A 43 ASN :FLIP amide:sc= -3.68! C(o=-8.2!,f=-3.7!) USER MOD Single : A 48 TYR OH : rot 122:sc= 0.117 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 56 ASN : amide:sc= -1.58 K(o=-1.6,f=-2.9) USER MOD Single : A 59 GLN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 61 MET CE :methyl 135:sc= -3.07 (180deg=-6.77!) 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 72:sc= 1.34 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 GLN : amide:sc= -8.11! C(o=-8.1!,f=-12!) USER MOD Single : A 71 LYS NZ :NH3+ 166:sc= -0.0681 (180deg=-0.316) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 88:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 196 N VAL A 14 -7.658 9.156 -0.485 1.00 0.00 N ATOM 197 CA VAL A 14 -7.341 9.534 -1.855 1.00 0.00 C ATOM 198 C VAL A 14 -5.874 9.919 -1.977 1.00 0.00 C ATOM 199 O VAL A 14 -5.215 9.574 -2.959 1.00 0.00 O ATOM 200 CB VAL A 14 -8.239 10.681 -2.370 1.00 0.00 C ATOM 201 CG1 VAL A 14 -7.752 11.206 -3.716 1.00 0.00 C ATOM 202 CG2 VAL A 14 -9.677 10.206 -2.485 1.00 0.00 C ATOM 0 HA VAL A 14 -7.537 8.662 -2.480 1.00 0.00 H new ATOM 0 HB VAL A 14 -8.186 11.498 -1.651 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.405 12.012 -4.050 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.734 11.583 -3.613 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.768 10.399 -4.449 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.302 11.022 -2.849 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.729 9.370 -3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.033 9.885 -1.506 1.00 0.00 H new ATOM 212 N THR A 15 -5.358 10.608 -0.967 1.00 0.00 N ATOM 213 CA THR A 15 -3.956 11.000 -0.957 1.00 0.00 C ATOM 214 C THR A 15 -3.058 9.765 -0.989 1.00 0.00 C ATOM 215 O THR A 15 -2.156 9.658 -1.830 1.00 0.00 O ATOM 216 CB THR A 15 -3.624 11.854 0.282 1.00 0.00 C ATOM 217 OG1 THR A 15 -4.487 13.002 0.328 1.00 0.00 O ATOM 218 CG2 THR A 15 -2.170 12.311 0.262 1.00 0.00 C ATOM 0 H THR A 15 -5.888 10.906 -0.148 1.00 0.00 H new ATOM 0 HA THR A 15 -3.773 11.601 -1.848 1.00 0.00 H new ATOM 0 HB THR A 15 -3.780 11.239 1.168 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.273 13.541 1.118 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.965 12.911 1.148 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.515 11.440 0.254 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.989 12.909 -0.631 1.00 0.00 H new ATOM 226 N GLU A 16 -3.330 8.816 -0.094 1.00 0.00 N ATOM 227 CA GLU A 16 -2.552 7.606 -0.020 1.00 0.00 C ATOM 228 C GLU A 16 -2.672 6.825 -1.320 1.00 0.00 C ATOM 229 O GLU A 16 -1.662 6.451 -1.905 1.00 0.00 O ATOM 230 CB GLU A 16 -2.988 6.765 1.188 1.00 0.00 C ATOM 231 CG GLU A 16 -4.401 6.213 1.105 1.00 0.00 C ATOM 232 CD GLU A 16 -4.811 5.445 2.346 1.00 0.00 C ATOM 233 OE1 GLU A 16 -4.482 4.244 2.437 1.00 0.00 O ATOM 234 OE2 GLU A 16 -5.476 6.043 3.221 1.00 0.00 O ATOM 0 H GLU A 16 -4.088 8.873 0.586 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.502 7.863 0.118 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.294 5.932 1.302 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.904 7.376 2.087 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.098 7.036 0.947 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.479 5.558 0.237 1.00 0.00 H new ATOM 241 N LEU A 17 -3.902 6.637 -1.809 1.00 0.00 N ATOM 242 CA LEU A 17 -4.122 5.854 -3.020 1.00 0.00 C ATOM 243 C LEU A 17 -3.366 6.457 -4.197 1.00 0.00 C ATOM 244 O LEU A 17 -2.775 5.741 -5.003 1.00 0.00 O ATOM 245 CB LEU A 17 -5.630 5.710 -3.328 1.00 0.00 C ATOM 246 CG LEU A 17 -6.341 6.861 -4.065 1.00 0.00 C ATOM 247 CD1 LEU A 17 -6.130 6.780 -5.573 1.00 0.00 C ATOM 248 CD2 LEU A 17 -7.829 6.838 -3.757 1.00 0.00 C ATOM 0 H LEU A 17 -4.750 7.014 -1.387 1.00 0.00 H new ATOM 0 HA LEU A 17 -3.730 4.851 -2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.763 4.805 -3.920 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.148 5.551 -2.382 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.906 7.796 -3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -6.647 7.608 -6.058 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -5.064 6.837 -5.795 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -6.528 5.836 -5.946 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.322 7.656 -4.283 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.253 5.888 -4.083 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.980 6.953 -2.684 1.00 0.00 H new ATOM 260 N GLU A 18 -3.369 7.776 -4.269 1.00 0.00 N ATOM 261 CA GLU A 18 -2.699 8.481 -5.354 1.00 0.00 C ATOM 262 C GLU A 18 -1.186 8.312 -5.264 1.00 0.00 C ATOM 263 O GLU A 18 -0.495 8.246 -6.283 1.00 0.00 O ATOM 264 CB GLU A 18 -3.058 9.966 -5.335 1.00 0.00 C ATOM 265 CG GLU A 18 -2.568 10.716 -6.561 1.00 0.00 C ATOM 266 CD GLU A 18 -2.847 12.199 -6.489 1.00 0.00 C ATOM 267 OE1 GLU A 18 -4.007 12.600 -6.706 1.00 0.00 O ATOM 268 OE2 GLU A 18 -1.903 12.972 -6.224 1.00 0.00 O ATOM 0 H GLU A 18 -3.827 8.383 -3.590 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.041 8.047 -6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.141 10.070 -5.262 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -2.632 10.425 -4.442 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.496 10.558 -6.674 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -3.046 10.303 -7.449 1.00 0.00 H new ATOM 275 N CYS A 19 -0.674 8.218 -4.047 1.00 0.00 N ATOM 276 CA CYS A 19 0.758 8.073 -3.839 1.00 0.00 C ATOM 277 C CYS A 19 1.148 6.601 -3.806 1.00 0.00 C ATOM 278 O CYS A 19 2.325 6.258 -3.707 1.00 0.00 O ATOM 279 CB CYS A 19 1.189 8.800 -2.565 1.00 0.00 C ATOM 280 SG CYS A 19 0.925 10.603 -2.656 1.00 0.00 S ATOM 0 H CYS A 19 -1.227 8.239 -3.190 1.00 0.00 H new ATOM 0 HA CYS A 19 1.283 8.533 -4.676 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.634 8.398 -1.717 1.00 0.00 H new ATOM 0 HB3 CYS A 19 2.244 8.601 -2.378 1.00 0.00 H new ATOM 285 N ILE A 20 0.145 5.740 -3.880 1.00 0.00 N ATOM 286 CA ILE A 20 0.369 4.307 -4.037 1.00 0.00 C ATOM 287 C ILE A 20 0.325 3.921 -5.516 1.00 0.00 C ATOM 288 O ILE A 20 1.012 2.998 -5.953 1.00 0.00 O ATOM 289 CB ILE A 20 -0.692 3.475 -3.272 1.00 0.00 C ATOM 290 CG1 ILE A 20 -0.620 3.752 -1.771 1.00 0.00 C ATOM 291 CG2 ILE A 20 -0.503 1.988 -3.533 1.00 0.00 C ATOM 292 CD1 ILE A 20 -1.832 3.259 -1.011 1.00 0.00 C ATOM 0 H ILE A 20 -0.838 6.008 -3.834 1.00 0.00 H new ATOM 0 HA ILE A 20 1.353 4.088 -3.622 1.00 0.00 H new ATOM 0 HB ILE A 20 -1.675 3.773 -3.636 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.273 3.278 -1.364 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.512 4.825 -1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -1.258 1.424 -2.986 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -0.604 1.790 -4.600 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.489 1.683 -3.200 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -1.715 3.488 0.048 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -2.726 3.752 -1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.929 2.181 -1.141 1.00 0.00 H new ATOM 304 N ARG A 21 -0.462 4.649 -6.298 1.00 0.00 N ATOM 305 CA ARG A 21 -0.717 4.252 -7.681 1.00 0.00 C ATOM 306 C ARG A 21 0.322 4.789 -8.646 1.00 0.00 C ATOM 307 O ARG A 21 0.368 4.367 -9.800 1.00 0.00 O ATOM 308 CB ARG A 21 -2.087 4.712 -8.154 1.00 0.00 C ATOM 309 CG ARG A 21 -3.255 3.969 -7.524 1.00 0.00 C ATOM 310 CD ARG A 21 -4.573 4.443 -8.109 1.00 0.00 C ATOM 311 NE ARG A 21 -5.730 3.803 -7.480 1.00 0.00 N ATOM 312 CZ ARG A 21 -6.964 3.842 -7.984 1.00 0.00 C ATOM 313 NH1 ARG A 21 -7.195 4.453 -9.142 1.00 0.00 N ATOM 314 NH2 ARG A 21 -7.970 3.263 -7.337 1.00 0.00 N ATOM 0 H ARG A 21 -0.930 5.507 -6.006 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.669 3.163 -7.680 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.192 5.776 -7.941 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.141 4.597 -9.237 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.143 2.898 -7.690 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -3.253 4.126 -6.445 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -4.651 5.524 -7.991 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.586 4.238 -9.179 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.584 3.298 -6.606 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.427 4.894 -9.648 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.140 4.481 -9.524 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.800 2.786 -6.451 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.912 3.295 -7.726 1.00 0.00 H new ATOM 328 N LEU A 22 1.164 5.700 -8.189 1.00 0.00 N ATOM 329 CA LEU A 22 2.174 6.287 -9.061 1.00 0.00 C ATOM 330 C LEU A 22 3.346 5.331 -9.262 1.00 0.00 C ATOM 331 O LEU A 22 4.486 5.761 -9.440 1.00 0.00 O ATOM 332 CB LEU A 22 2.645 7.638 -8.503 1.00 0.00 C ATOM 333 CG LEU A 22 2.699 7.770 -6.975 1.00 0.00 C ATOM 334 CD1 LEU A 22 3.752 6.860 -6.361 1.00 0.00 C ATOM 335 CD2 LEU A 22 2.963 9.216 -6.596 1.00 0.00 C ATOM 0 H LEU A 22 1.172 6.048 -7.230 1.00 0.00 H new ATOM 0 HA LEU A 22 1.724 6.463 -10.038 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.641 7.841 -8.898 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.985 8.415 -8.889 1.00 0.00 H new ATOM 0 HG LEU A 22 1.733 7.458 -6.577 1.00 0.00 H new ATOM 0 HD11 LEU A 22 3.755 6.986 -5.278 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.523 5.823 -6.605 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.733 7.118 -6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.001 9.307 -5.510 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.915 9.535 -7.020 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.163 9.846 -6.985 1.00 0.00 H new ATOM 347 N ARG A 23 3.041 4.027 -9.223 1.00 0.00 N ATOM 348 CA ARG A 23 4.044 2.950 -9.279 1.00 0.00 C ATOM 349 C ARG A 23 4.937 2.944 -8.033 1.00 0.00 C ATOM 350 O ARG A 23 5.515 1.919 -7.678 1.00 0.00 O ATOM 351 CB ARG A 23 4.907 3.048 -10.542 1.00 0.00 C ATOM 352 CG ARG A 23 6.026 2.019 -10.583 1.00 0.00 C ATOM 353 CD ARG A 23 6.926 2.206 -11.785 1.00 0.00 C ATOM 354 NE ARG A 23 8.145 1.405 -11.679 1.00 0.00 N ATOM 355 CZ ARG A 23 8.888 1.044 -12.719 1.00 0.00 C ATOM 356 NH1 ARG A 23 8.487 1.326 -13.951 1.00 0.00 N ATOM 357 NH2 ARG A 23 10.024 0.389 -12.526 1.00 0.00 N ATOM 0 H ARG A 23 2.083 3.685 -9.151 1.00 0.00 H new ATOM 0 HA ARG A 23 3.492 2.010 -9.311 1.00 0.00 H new ATOM 0 HB2 ARG A 23 4.272 2.920 -11.419 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.338 4.047 -10.603 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.619 2.092 -9.671 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.597 1.017 -10.604 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.386 1.929 -12.690 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.190 3.259 -11.881 1.00 0.00 H new ATOM 0 HE ARG A 23 8.442 1.106 -10.750 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.607 1.820 -14.100 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.058 1.049 -14.749 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.327 0.162 -11.579 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.595 0.112 -13.325 1.00 0.00 H new ATOM 371 N ILE A 24 5.029 4.092 -7.377 1.00 0.00 N ATOM 372 CA ILE A 24 5.853 4.275 -6.198 1.00 0.00 C ATOM 373 C ILE A 24 7.324 4.242 -6.590 1.00 0.00 C ATOM 374 O ILE A 24 7.853 5.249 -7.060 1.00 0.00 O ATOM 375 CB ILE A 24 5.505 3.252 -5.084 1.00 0.00 C ATOM 376 CG1 ILE A 24 3.989 3.286 -4.837 1.00 0.00 C ATOM 377 CG2 ILE A 24 6.260 3.545 -3.804 1.00 0.00 C ATOM 378 CD1 ILE A 24 3.542 2.648 -3.539 1.00 0.00 C ATOM 0 H ILE A 24 4.524 4.933 -7.656 1.00 0.00 H new ATOM 0 HA ILE A 24 5.642 5.255 -5.770 1.00 0.00 H new ATOM 0 HB ILE A 24 5.805 2.257 -5.412 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.657 4.324 -4.848 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.489 2.782 -5.664 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.991 2.809 -3.046 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.332 3.495 -3.994 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.001 4.542 -3.449 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.458 2.720 -3.453 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.838 1.599 -3.528 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.008 3.165 -2.700 1.00 0.00 H new ATOM 390 N SER A 25 7.953 3.089 -6.442 1.00 0.00 N ATOM 391 CA SER A 25 9.341 2.885 -6.864 1.00 0.00 C ATOM 392 C SER A 25 9.859 1.521 -6.385 1.00 0.00 C ATOM 393 O SER A 25 10.393 0.747 -7.180 1.00 0.00 O ATOM 394 CB SER A 25 10.271 4.000 -6.369 1.00 0.00 C ATOM 395 OG SER A 25 11.531 3.950 -7.015 1.00 0.00 O ATOM 0 H SER A 25 7.522 2.263 -6.026 1.00 0.00 H new ATOM 0 HA SER A 25 9.346 2.911 -7.954 1.00 0.00 H new ATOM 0 HB2 SER A 25 9.807 4.969 -6.549 1.00 0.00 H new ATOM 0 HB3 SER A 25 10.409 3.908 -5.292 1.00 0.00 H new ATOM 0 HG SER A 25 12.100 4.674 -6.679 1.00 0.00 H new ATOM 401 N PRO A 26 9.732 1.225 -5.067 1.00 0.00 N ATOM 402 CA PRO A 26 10.176 -0.051 -4.456 1.00 0.00 C ATOM 403 C PRO A 26 9.514 -1.320 -5.016 1.00 0.00 C ATOM 404 O PRO A 26 8.931 -1.317 -6.099 1.00 0.00 O ATOM 405 CB PRO A 26 9.758 0.139 -2.992 1.00 0.00 C ATOM 406 CG PRO A 26 9.824 1.597 -2.790 1.00 0.00 C ATOM 407 CD PRO A 26 9.214 2.141 -4.032 1.00 0.00 C ATOM 0 HA PRO A 26 11.236 -0.219 -4.644 1.00 0.00 H new ATOM 0 HB2 PRO A 26 8.754 -0.244 -2.810 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.428 -0.389 -2.314 1.00 0.00 H new ATOM 0 HG2 PRO A 26 9.272 1.906 -1.902 1.00 0.00 H new ATOM 0 HG3 PRO A 26 10.851 1.940 -2.662 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.125 2.130 -3.988 1.00 0.00 H new ATOM 0 HD3 PRO A 26 9.515 3.172 -4.215 1.00 0.00 H new ATOM 415 N GLU A 27 9.597 -2.401 -4.231 1.00 0.00 N ATOM 416 CA GLU A 27 8.984 -3.696 -4.564 1.00 0.00 C ATOM 417 C GLU A 27 7.465 -3.608 -4.494 1.00 0.00 C ATOM 418 O GLU A 27 6.762 -4.596 -4.703 1.00 0.00 O ATOM 419 CB GLU A 27 9.472 -4.781 -3.606 1.00 0.00 C ATOM 420 CG GLU A 27 9.233 -6.191 -4.104 1.00 0.00 C ATOM 421 CD GLU A 27 10.011 -6.490 -5.369 1.00 0.00 C ATOM 422 OE1 GLU A 27 9.548 -6.110 -6.466 1.00 0.00 O ATOM 423 OE2 GLU A 27 11.099 -7.090 -5.271 1.00 0.00 O ATOM 0 H GLU A 27 10.094 -2.403 -3.341 1.00 0.00 H new ATOM 0 HA GLU A 27 9.279 -3.954 -5.581 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.539 -4.644 -3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.972 -4.656 -2.645 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.517 -6.902 -3.328 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.169 -6.333 -4.292 1.00 0.00 H new ATOM 430 N THR A 28 6.994 -2.421 -4.138 1.00 0.00 N ATOM 431 CA THR A 28 5.583 -2.097 -4.057 1.00 0.00 C ATOM 432 C THR A 28 4.720 -2.865 -5.062 1.00 0.00 C ATOM 433 O THR A 28 3.776 -3.550 -4.670 1.00 0.00 O ATOM 434 CB THR A 28 5.406 -0.584 -4.300 1.00 0.00 C ATOM 435 OG1 THR A 28 4.022 -0.245 -4.396 1.00 0.00 O ATOM 436 CG2 THR A 28 6.108 -0.168 -5.575 1.00 0.00 C ATOM 0 H THR A 28 7.601 -1.639 -3.892 1.00 0.00 H new ATOM 0 HA THR A 28 5.246 -2.389 -3.063 1.00 0.00 H new ATOM 0 HB THR A 28 5.846 -0.056 -3.454 1.00 0.00 H new ATOM 0 HG1 THR A 28 3.569 -0.478 -3.559 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.973 0.902 -5.732 1.00 0.00 H new ATOM 0 HG22 THR A 28 7.172 -0.392 -5.494 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.685 -0.714 -6.418 1.00 0.00 H new ATOM 444 N ASN A 29 5.071 -2.801 -6.335 1.00 0.00 N ATOM 445 CA ASN A 29 4.219 -3.344 -7.372 1.00 0.00 C ATOM 446 C ASN A 29 4.083 -4.845 -7.213 1.00 0.00 C ATOM 447 O ASN A 29 2.977 -5.347 -7.098 1.00 0.00 O ATOM 448 CB ASN A 29 4.750 -2.978 -8.761 1.00 0.00 C ATOM 449 CG ASN A 29 4.463 -1.530 -9.144 1.00 0.00 C ATOM 450 OD1 ASN A 29 4.231 -0.677 -8.150 1.00 0.00 O flip ATOM 451 ND2 ASN A 29 4.419 -1.187 -10.326 1.00 0.00 N flip ATOM 0 H ASN A 29 5.937 -2.380 -6.672 1.00 0.00 H new ATOM 0 HA ASN A 29 3.227 -2.903 -7.271 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.826 -3.150 -8.790 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.302 -3.640 -9.502 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.603 -1.869 -11.062 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.199 -0.221 -10.569 1.00 0.00 H new ATOM 458 N ALA A 30 5.207 -5.543 -7.134 1.00 0.00 N ATOM 459 CA ALA A 30 5.197 -6.998 -7.051 1.00 0.00 C ATOM 460 C ALA A 30 4.557 -7.482 -5.750 1.00 0.00 C ATOM 461 O ALA A 30 3.667 -8.342 -5.763 1.00 0.00 O ATOM 462 CB ALA A 30 6.615 -7.534 -7.172 1.00 0.00 C ATOM 0 H ALA A 30 6.138 -5.126 -7.126 1.00 0.00 H new ATOM 0 HA ALA A 30 4.596 -7.378 -7.877 1.00 0.00 H new ATOM 0 HB1 ALA A 30 6.599 -8.622 -7.109 1.00 0.00 H new ATOM 0 HB2 ALA A 30 7.038 -7.232 -8.130 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.226 -7.133 -6.363 1.00 0.00 H new ATOM 468 N ALA A 31 4.992 -6.903 -4.637 1.00 0.00 N ATOM 469 CA ALA A 31 4.591 -7.368 -3.315 1.00 0.00 C ATOM 470 C ALA A 31 3.136 -7.040 -2.999 1.00 0.00 C ATOM 471 O ALA A 31 2.368 -7.923 -2.639 1.00 0.00 O ATOM 472 CB ALA A 31 5.503 -6.788 -2.255 1.00 0.00 C ATOM 0 H ALA A 31 5.627 -6.105 -4.625 1.00 0.00 H new ATOM 0 HA ALA A 31 4.682 -8.454 -3.316 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.192 -7.144 -1.273 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.529 -7.102 -2.446 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.446 -5.700 -2.282 1.00 0.00 H new ATOM 478 N PHE A 32 2.753 -5.771 -3.081 1.00 0.00 N ATOM 479 CA PHE A 32 1.346 -5.425 -2.916 1.00 0.00 C ATOM 480 C PHE A 32 0.498 -6.093 -3.996 1.00 0.00 C ATOM 481 O PHE A 32 -0.692 -6.280 -3.811 1.00 0.00 O ATOM 482 CB PHE A 32 1.123 -3.910 -2.929 1.00 0.00 C ATOM 483 CG PHE A 32 2.084 -3.246 -2.022 1.00 0.00 C ATOM 484 CD1 PHE A 32 2.373 -3.817 -0.808 1.00 0.00 C ATOM 485 CD2 PHE A 32 2.766 -2.121 -2.413 1.00 0.00 C ATOM 486 CE1 PHE A 32 3.343 -3.292 -0.008 1.00 0.00 C ATOM 487 CE2 PHE A 32 3.724 -1.577 -1.600 1.00 0.00 C ATOM 488 CZ PHE A 32 4.020 -2.174 -0.399 1.00 0.00 C ATOM 0 H PHE A 32 3.377 -4.984 -3.256 1.00 0.00 H new ATOM 0 HA PHE A 32 1.035 -5.796 -1.939 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.243 -3.526 -3.942 1.00 0.00 H new ATOM 0 HB3 PHE A 32 0.103 -3.682 -2.620 1.00 0.00 H new ATOM 0 HD1 PHE A 32 1.827 -4.690 -0.484 1.00 0.00 H new ATOM 0 HD2 PHE A 32 2.546 -1.663 -3.366 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.576 -3.761 0.936 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.246 -0.681 -1.902 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.789 -1.758 0.236 1.00 0.00 H new ATOM 498 N ASP A 33 1.105 -6.461 -5.127 1.00 0.00 N ATOM 499 CA ASP A 33 0.369 -7.167 -6.167 1.00 0.00 C ATOM 500 C ASP A 33 -0.178 -8.464 -5.607 1.00 0.00 C ATOM 501 O ASP A 33 -1.390 -8.640 -5.535 1.00 0.00 O ATOM 502 CB ASP A 33 1.239 -7.461 -7.385 1.00 0.00 C ATOM 503 CG ASP A 33 0.429 -8.009 -8.543 1.00 0.00 C ATOM 504 OD1 ASP A 33 0.170 -9.229 -8.575 1.00 0.00 O ATOM 505 OD2 ASP A 33 0.037 -7.221 -9.426 1.00 0.00 O ATOM 0 H ASP A 33 2.087 -6.284 -5.340 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.447 -6.522 -6.493 1.00 0.00 H new ATOM 0 HB2 ASP A 33 1.746 -6.548 -7.697 1.00 0.00 H new ATOM 0 HB3 ASP A 33 2.013 -8.178 -7.113 1.00 0.00 H new ATOM 510 N ASN A 34 0.710 -9.350 -5.154 1.00 0.00 N ATOM 511 CA ASN A 34 0.265 -10.620 -4.585 1.00 0.00 C ATOM 512 C ASN A 34 -0.390 -10.410 -3.219 1.00 0.00 C ATOM 513 O ASN A 34 -1.225 -11.211 -2.784 1.00 0.00 O ATOM 514 CB ASN A 34 1.394 -11.670 -4.502 1.00 0.00 C ATOM 515 CG ASN A 34 2.646 -11.206 -3.778 1.00 0.00 C ATOM 516 OD1 ASN A 34 3.046 -10.063 -3.875 1.00 0.00 O ATOM 517 ND2 ASN A 34 3.273 -12.101 -3.036 1.00 0.00 N ATOM 0 H ASN A 34 1.721 -9.216 -5.169 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.482 -11.021 -5.270 1.00 0.00 H new ATOM 0 HB2 ASN A 34 1.009 -12.557 -4.000 1.00 0.00 H new ATOM 0 HB3 ASN A 34 1.667 -11.970 -5.514 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.116 -11.840 -2.525 1.00 0.00 H new ATOM 0 HD22 ASN A 34 2.914 -13.054 -2.974 1.00 0.00 H new ATOM 524 N ALA A 35 -0.034 -9.321 -2.554 1.00 0.00 N ATOM 525 CA ALA A 35 -0.630 -8.978 -1.265 1.00 0.00 C ATOM 526 C ALA A 35 -2.097 -8.615 -1.409 1.00 0.00 C ATOM 527 O ALA A 35 -2.973 -9.253 -0.823 1.00 0.00 O ATOM 528 CB ALA A 35 0.123 -7.835 -0.619 1.00 0.00 C ATOM 0 H ALA A 35 0.666 -8.656 -2.884 1.00 0.00 H new ATOM 0 HA ALA A 35 -0.559 -9.859 -0.627 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.335 -7.593 0.340 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.162 -8.126 -0.462 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.086 -6.961 -1.269 1.00 0.00 H new ATOM 534 N VAL A 36 -2.357 -7.591 -2.196 1.00 0.00 N ATOM 535 CA VAL A 36 -3.706 -7.140 -2.468 1.00 0.00 C ATOM 536 C VAL A 36 -4.435 -8.189 -3.296 1.00 0.00 C ATOM 537 O VAL A 36 -5.653 -8.164 -3.431 1.00 0.00 O ATOM 538 CB VAL A 36 -3.658 -5.787 -3.203 1.00 0.00 C ATOM 539 CG1 VAL A 36 -5.041 -5.187 -3.340 1.00 0.00 C ATOM 540 CG2 VAL A 36 -2.725 -4.823 -2.481 1.00 0.00 C ATOM 0 H VAL A 36 -1.635 -7.046 -2.667 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.249 -7.003 -1.533 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.270 -5.963 -4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.974 -4.233 -3.863 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.678 -5.867 -3.906 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.469 -5.029 -2.350 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.702 -3.872 -3.013 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.084 -4.662 -1.465 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.720 -5.245 -2.448 1.00 0.00 H new ATOM 550 N GLN A 37 -3.659 -9.108 -3.839 1.00 0.00 N ATOM 551 CA GLN A 37 -4.181 -10.310 -4.461 1.00 0.00 C ATOM 552 C GLN A 37 -4.781 -11.254 -3.404 1.00 0.00 C ATOM 553 O GLN A 37 -5.784 -11.920 -3.660 1.00 0.00 O ATOM 554 CB GLN A 37 -3.044 -10.964 -5.249 1.00 0.00 C ATOM 555 CG GLN A 37 -3.200 -12.448 -5.532 1.00 0.00 C ATOM 556 CD GLN A 37 -2.238 -12.929 -6.608 1.00 0.00 C ATOM 557 OE1 GLN A 37 -1.147 -12.201 -6.798 1.00 0.00 O flip ATOM 558 NE2 GLN A 37 -2.497 -13.918 -7.292 1.00 0.00 N flip ATOM 0 H GLN A 37 -2.641 -9.041 -3.861 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.994 -10.068 -5.146 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.940 -10.442 -6.200 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.114 -10.814 -4.700 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.029 -13.012 -4.615 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.224 -12.651 -5.845 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.347 -14.452 -7.114 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.861 -14.204 -8.037 1.00 0.00 H new ATOM 567 N GLN A 38 -4.167 -11.303 -2.217 1.00 0.00 N ATOM 568 CA GLN A 38 -4.740 -12.049 -1.086 1.00 0.00 C ATOM 569 C GLN A 38 -6.018 -11.399 -0.601 1.00 0.00 C ATOM 570 O GLN A 38 -7.101 -11.973 -0.695 1.00 0.00 O ATOM 571 CB GLN A 38 -3.794 -12.091 0.110 1.00 0.00 C ATOM 572 CG GLN A 38 -2.455 -12.701 -0.159 1.00 0.00 C ATOM 573 CD GLN A 38 -1.446 -12.110 0.775 1.00 0.00 C ATOM 574 OE1 GLN A 38 -0.529 -12.791 1.218 1.00 0.00 O ATOM 575 NE2 GLN A 38 -1.613 -10.805 1.059 1.00 0.00 N ATOM 0 H GLN A 38 -3.281 -10.840 -2.013 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.923 -13.057 -1.458 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.646 -11.074 0.472 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.275 -12.648 0.914 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -2.502 -13.782 -0.026 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.161 -12.520 -1.193 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.398 -10.292 0.658 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -0.954 -10.329 1.675 1.00 0.00 H new ATOM 584 N LEU A 39 -5.871 -10.185 -0.074 1.00 0.00 N ATOM 585 CA LEU A 39 -6.992 -9.463 0.518 1.00 0.00 C ATOM 586 C LEU A 39 -8.054 -9.200 -0.524 1.00 0.00 C ATOM 587 O LEU A 39 -9.236 -9.051 -0.217 1.00 0.00 O ATOM 588 CB LEU A 39 -6.544 -8.136 1.134 1.00 0.00 C ATOM 589 CG LEU A 39 -5.129 -7.683 0.772 1.00 0.00 C ATOM 590 CD1 LEU A 39 -5.021 -6.177 0.849 1.00 0.00 C ATOM 591 CD2 LEU A 39 -4.117 -8.308 1.713 1.00 0.00 C ATOM 0 H LEU A 39 -4.985 -9.681 -0.046 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.402 -10.088 1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.244 -7.359 0.827 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.614 -8.218 2.219 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.919 -8.006 -0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.008 -5.871 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.727 -5.725 0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.250 -5.847 1.862 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.115 -7.976 1.442 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -4.336 -8.004 2.737 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.172 -9.394 1.637 1.00 0.00 H new ATOM 603 N ASN A 40 -7.583 -9.144 -1.764 1.00 0.00 N ATOM 604 CA ASN A 40 -8.439 -9.021 -2.931 1.00 0.00 C ATOM 605 C ASN A 40 -9.222 -7.721 -2.886 1.00 0.00 C ATOM 606 O ASN A 40 -10.409 -7.660 -3.193 1.00 0.00 O ATOM 607 CB ASN A 40 -9.340 -10.247 -3.020 1.00 0.00 C ATOM 608 CG ASN A 40 -10.028 -10.406 -4.364 1.00 0.00 C ATOM 609 OD1 ASN A 40 -11.165 -9.977 -4.552 1.00 0.00 O ATOM 610 ND2 ASN A 40 -9.345 -11.040 -5.305 1.00 0.00 N ATOM 0 H ASN A 40 -6.588 -9.183 -1.986 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.834 -8.983 -3.837 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.746 -11.138 -2.819 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -10.098 -10.187 -2.239 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.760 -11.187 -6.225 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -8.404 -11.381 -5.110 1.00 0.00 H new ATOM 617 N CYS A 41 -8.522 -6.676 -2.487 1.00 0.00 N ATOM 618 CA CYS A 41 -9.062 -5.330 -2.506 1.00 0.00 C ATOM 619 C CYS A 41 -9.035 -4.779 -3.925 1.00 0.00 C ATOM 620 O CYS A 41 -9.733 -3.813 -4.236 1.00 0.00 O ATOM 621 CB CYS A 41 -8.241 -4.423 -1.583 1.00 0.00 C ATOM 622 SG CYS A 41 -8.518 -4.687 0.204 1.00 0.00 S ATOM 0 H CYS A 41 -7.564 -6.736 -2.141 1.00 0.00 H new ATOM 0 HA CYS A 41 -10.093 -5.359 -2.153 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.183 -4.574 -1.798 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.470 -3.384 -1.821 1.00 0.00 H new ATOM 627 N LEU A 42 -8.225 -5.426 -4.777 1.00 0.00 N ATOM 628 CA LEU A 42 -7.939 -4.959 -6.143 1.00 0.00 C ATOM 629 C LEU A 42 -7.159 -3.648 -6.099 1.00 0.00 C ATOM 630 O LEU A 42 -6.033 -3.555 -6.584 1.00 0.00 O ATOM 631 CB LEU A 42 -9.221 -4.792 -6.980 1.00 0.00 C ATOM 632 CG LEU A 42 -9.813 -6.080 -7.572 1.00 0.00 C ATOM 633 CD1 LEU A 42 -8.770 -6.820 -8.395 1.00 0.00 C ATOM 634 CD2 LEU A 42 -10.373 -6.982 -6.484 1.00 0.00 C ATOM 0 H LEU A 42 -7.747 -6.294 -4.536 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.333 -5.723 -6.629 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.980 -4.321 -6.355 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -9.010 -4.104 -7.798 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.636 -5.797 -8.228 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.209 -7.729 -8.806 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.429 -6.181 -9.210 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -7.923 -7.080 -7.760 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.784 -7.885 -6.936 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -9.577 -7.254 -5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -11.160 -6.455 -5.944 1.00 0.00 H new ATOM 646 N ASN A 43 -7.773 -2.655 -5.490 1.00 0.00 N ATOM 647 CA ASN A 43 -7.162 -1.359 -5.275 1.00 0.00 C ATOM 648 C ASN A 43 -6.288 -1.405 -4.023 1.00 0.00 C ATOM 649 O ASN A 43 -6.699 -1.928 -2.984 1.00 0.00 O ATOM 650 CB ASN A 43 -8.273 -0.311 -5.155 1.00 0.00 C ATOM 651 CG ASN A 43 -7.928 0.842 -4.241 1.00 0.00 C ATOM 652 OD1 ASN A 43 -8.213 0.672 -2.959 1.00 0.00 O flip ATOM 653 ND2 ASN A 43 -7.390 1.862 -4.677 1.00 0.00 N flip ATOM 0 H ASN A 43 -8.723 -2.726 -5.125 1.00 0.00 H new ATOM 0 HA ASN A 43 -6.519 -1.090 -6.113 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -8.500 0.079 -6.147 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -9.178 -0.795 -4.788 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.190 1.947 -5.674 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -7.145 2.621 -4.041 1.00 0.00 H new ATOM 660 N ARG A 44 -5.085 -0.858 -4.126 1.00 0.00 N ATOM 661 CA ARG A 44 -4.099 -0.973 -3.054 1.00 0.00 C ATOM 662 C ARG A 44 -4.394 -0.041 -1.883 1.00 0.00 C ATOM 663 O ARG A 44 -3.791 -0.179 -0.822 1.00 0.00 O ATOM 664 CB ARG A 44 -2.683 -0.720 -3.581 1.00 0.00 C ATOM 665 CG ARG A 44 -2.045 -1.926 -4.260 1.00 0.00 C ATOM 666 CD ARG A 44 -2.762 -2.314 -5.542 1.00 0.00 C ATOM 667 NE ARG A 44 -2.314 -3.614 -6.042 1.00 0.00 N ATOM 668 CZ ARG A 44 -2.475 -4.023 -7.300 1.00 0.00 C ATOM 669 NH1 ARG A 44 -3.017 -3.212 -8.202 1.00 0.00 N ATOM 670 NH2 ARG A 44 -2.083 -5.240 -7.653 1.00 0.00 N ATOM 0 H ARG A 44 -4.766 -0.330 -4.939 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.166 -1.996 -2.683 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.713 0.108 -4.289 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.049 -0.407 -2.751 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -1.001 -1.704 -4.483 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -2.051 -2.772 -3.573 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.837 -2.344 -5.363 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.587 -1.552 -6.302 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.851 -4.245 -5.388 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.311 -2.273 -7.932 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.139 -3.528 -9.164 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.660 -5.860 -6.962 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.205 -5.556 -8.615 1.00 0.00 H new ATOM 684 N ALA A 45 -5.318 0.897 -2.065 1.00 0.00 N ATOM 685 CA ALA A 45 -5.697 1.795 -0.977 1.00 0.00 C ATOM 686 C ALA A 45 -6.427 1.021 0.120 1.00 0.00 C ATOM 687 O ALA A 45 -6.148 1.193 1.296 1.00 0.00 O ATOM 688 CB ALA A 45 -6.552 2.944 -1.493 1.00 0.00 C ATOM 0 H ALA A 45 -5.813 1.055 -2.943 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.789 2.222 -0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -6.821 3.598 -0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -5.990 3.511 -2.235 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.458 2.546 -1.950 1.00 0.00 H new ATOM 694 N CYS A 46 -7.348 0.151 -0.286 1.00 0.00 N ATOM 695 CA CYS A 46 -8.047 -0.742 0.641 1.00 0.00 C ATOM 696 C CYS A 46 -7.034 -1.555 1.432 1.00 0.00 C ATOM 697 O CYS A 46 -7.077 -1.630 2.664 1.00 0.00 O ATOM 698 CB CYS A 46 -8.968 -1.679 -0.152 1.00 0.00 C ATOM 699 SG CYS A 46 -9.642 -3.091 0.791 1.00 0.00 S ATOM 0 H CYS A 46 -7.631 0.043 -1.260 1.00 0.00 H new ATOM 0 HA CYS A 46 -8.646 -0.152 1.335 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -9.800 -1.096 -0.546 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -8.416 -2.066 -1.009 1.00 0.00 H new ATOM 704 N ALA A 47 -6.120 -2.153 0.687 1.00 0.00 N ATOM 705 CA ALA A 47 -5.006 -2.897 1.254 1.00 0.00 C ATOM 706 C ALA A 47 -4.268 -2.101 2.324 1.00 0.00 C ATOM 707 O ALA A 47 -4.196 -2.509 3.491 1.00 0.00 O ATOM 708 CB ALA A 47 -4.044 -3.261 0.145 1.00 0.00 C ATOM 0 H ALA A 47 -6.129 -2.137 -0.333 1.00 0.00 H new ATOM 0 HA ALA A 47 -5.406 -3.793 1.729 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.205 -3.819 0.560 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.557 -3.875 -0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.675 -2.352 -0.330 1.00 0.00 H new ATOM 714 N TYR A 48 -3.723 -0.969 1.912 1.00 0.00 N ATOM 715 CA TYR A 48 -2.915 -0.140 2.786 1.00 0.00 C ATOM 716 C TYR A 48 -3.731 0.425 3.937 1.00 0.00 C ATOM 717 O TYR A 48 -3.218 0.564 5.040 1.00 0.00 O ATOM 718 CB TYR A 48 -2.257 0.994 2.001 1.00 0.00 C ATOM 719 CG TYR A 48 -0.763 0.822 1.846 1.00 0.00 C ATOM 720 CD1 TYR A 48 0.043 0.641 2.961 1.00 0.00 C ATOM 721 CD2 TYR A 48 -0.155 0.845 0.594 1.00 0.00 C ATOM 722 CE1 TYR A 48 1.410 0.492 2.837 1.00 0.00 C ATOM 723 CE2 TYR A 48 1.214 0.694 0.463 1.00 0.00 C ATOM 724 CZ TYR A 48 1.989 0.517 1.588 1.00 0.00 C ATOM 725 OH TYR A 48 3.349 0.369 1.466 1.00 0.00 O ATOM 0 H TYR A 48 -3.828 -0.601 0.966 1.00 0.00 H new ATOM 0 HA TYR A 48 -2.137 -0.776 3.207 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -2.714 1.056 1.013 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -2.457 1.940 2.505 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.407 0.616 3.943 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -0.761 0.983 -0.289 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.023 0.356 3.716 1.00 0.00 H new ATOM 0 HE2 TYR A 48 1.672 0.715 -0.515 1.00 0.00 H new ATOM 0 HH TYR A 48 3.544 -0.406 0.899 1.00 0.00 H new ATOM 735 N ARG A 49 -5.000 0.726 3.691 1.00 0.00 N ATOM 736 CA ARG A 49 -5.856 1.290 4.724 1.00 0.00 C ATOM 737 C ARG A 49 -6.144 0.271 5.823 1.00 0.00 C ATOM 738 O ARG A 49 -6.298 0.633 6.986 1.00 0.00 O ATOM 739 CB ARG A 49 -7.173 1.795 4.137 1.00 0.00 C ATOM 740 CG ARG A 49 -7.943 2.685 5.094 1.00 0.00 C ATOM 741 CD ARG A 49 -9.299 3.069 4.536 1.00 0.00 C ATOM 742 NE ARG A 49 -9.937 4.108 5.341 1.00 0.00 N ATOM 743 CZ ARG A 49 -11.193 4.053 5.778 1.00 0.00 C ATOM 744 NH1 ARG A 49 -11.936 2.976 5.567 1.00 0.00 N ATOM 745 NH2 ARG A 49 -11.703 5.074 6.454 1.00 0.00 N ATOM 0 H ARG A 49 -5.456 0.589 2.789 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.318 2.133 5.159 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.968 2.348 3.220 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.794 0.942 3.863 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -8.074 2.169 6.045 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -7.365 3.586 5.297 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -9.185 3.421 3.511 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.941 2.189 4.501 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.383 4.930 5.584 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -11.546 2.178 5.065 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -12.897 2.945 5.907 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.133 5.899 6.638 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.665 5.034 6.790 1.00 0.00 H new ATOM 759 N LYS A 50 -6.201 -1.011 5.468 1.00 0.00 N ATOM 760 CA LYS A 50 -6.451 -2.035 6.467 1.00 0.00 C ATOM 761 C LYS A 50 -5.167 -2.302 7.228 1.00 0.00 C ATOM 762 O LYS A 50 -5.194 -2.643 8.405 1.00 0.00 O ATOM 763 CB LYS A 50 -6.998 -3.322 5.836 1.00 0.00 C ATOM 764 CG LYS A 50 -7.451 -4.348 6.867 1.00 0.00 C ATOM 765 CD LYS A 50 -8.516 -3.795 7.802 1.00 0.00 C ATOM 766 CE LYS A 50 -8.791 -4.763 8.942 1.00 0.00 C ATOM 767 NZ LYS A 50 -9.823 -4.254 9.885 1.00 0.00 N ATOM 0 H LYS A 50 -6.080 -1.356 4.516 1.00 0.00 H new ATOM 0 HA LYS A 50 -7.216 -1.677 7.156 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.838 -3.073 5.187 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.228 -3.766 5.205 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -7.842 -5.227 6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -6.592 -4.676 7.452 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -8.190 -2.836 8.204 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -9.435 -3.612 7.245 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.118 -5.719 8.532 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.866 -4.950 9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.974 -4.950 10.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.502 -3.355 10.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.715 -4.101 9.373 1.00 0.00 H new ATOM 781 N MET A 51 -4.040 -2.123 6.544 1.00 0.00 N ATOM 782 CA MET A 51 -2.734 -2.148 7.197 1.00 0.00 C ATOM 783 C MET A 51 -2.595 -0.925 8.105 1.00 0.00 C ATOM 784 O MET A 51 -2.027 -0.994 9.191 1.00 0.00 O ATOM 785 CB MET A 51 -1.617 -2.151 6.146 1.00 0.00 C ATOM 786 CG MET A 51 -0.218 -2.179 6.739 1.00 0.00 C ATOM 787 SD MET A 51 0.107 -3.687 7.664 1.00 0.00 S ATOM 788 CE MET A 51 1.749 -3.350 8.295 1.00 0.00 C ATOM 0 H MET A 51 -4.005 -1.959 5.538 1.00 0.00 H new ATOM 0 HA MET A 51 -2.650 -3.055 7.796 1.00 0.00 H new ATOM 0 HB2 MET A 51 -1.744 -3.017 5.497 1.00 0.00 H new ATOM 0 HB3 MET A 51 -1.718 -1.265 5.519 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.515 -2.083 5.938 1.00 0.00 H new ATOM 0 HG3 MET A 51 -0.088 -1.319 7.395 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.090 -4.196 8.892 1.00 0.00 H new ATOM 0 HE2 MET A 51 2.434 -3.194 7.462 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.723 -2.455 8.916 1.00 0.00 H new ATOM 798 N CYS A 52 -3.128 0.191 7.624 1.00 0.00 N ATOM 799 CA CYS A 52 -3.173 1.445 8.365 1.00 0.00 C ATOM 800 C CYS A 52 -4.059 1.295 9.600 1.00 0.00 C ATOM 801 O CYS A 52 -3.853 1.957 10.622 1.00 0.00 O ATOM 802 CB CYS A 52 -3.711 2.541 7.433 1.00 0.00 C ATOM 803 SG CYS A 52 -3.788 4.213 8.141 1.00 0.00 S ATOM 0 H CYS A 52 -3.547 0.251 6.696 1.00 0.00 H new ATOM 0 HA CYS A 52 -2.174 1.717 8.706 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -3.085 2.573 6.541 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -4.712 2.257 7.109 1.00 0.00 H new ATOM 0 HG CYS A 52 -4.256 5.039 7.253 1.00 0.00 H new ATOM 808 N ALA A 53 -5.043 0.411 9.492 1.00 0.00 N ATOM 809 CA ALA A 53 -5.926 0.093 10.601 1.00 0.00 C ATOM 810 C ALA A 53 -5.260 -0.890 11.555 1.00 0.00 C ATOM 811 O ALA A 53 -4.955 -0.553 12.699 1.00 0.00 O ATOM 812 CB ALA A 53 -7.234 -0.483 10.080 1.00 0.00 C ATOM 0 H ALA A 53 -5.249 -0.103 8.635 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.137 1.012 11.148 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.888 -0.718 10.920 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -7.721 0.247 9.433 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -7.031 -1.392 9.513 1.00 0.00 H new ATOM 818 N THR A 54 -5.044 -2.108 11.074 1.00 0.00 N ATOM 819 CA THR A 54 -4.390 -3.145 11.856 1.00 0.00 C ATOM 820 C THR A 54 -3.333 -3.854 11.011 1.00 0.00 C ATOM 821 O THR A 54 -2.149 -3.850 11.351 1.00 0.00 O ATOM 822 CB THR A 54 -5.405 -4.188 12.386 1.00 0.00 C ATOM 823 OG1 THR A 54 -6.172 -4.746 11.304 1.00 0.00 O ATOM 824 CG2 THR A 54 -6.347 -3.570 13.405 1.00 0.00 C ATOM 0 H THR A 54 -5.316 -2.402 10.136 1.00 0.00 H new ATOM 0 HA THR A 54 -3.918 -2.660 12.711 1.00 0.00 H new ATOM 0 HB THR A 54 -4.835 -4.981 12.871 1.00 0.00 H new ATOM 0 HG1 THR A 54 -6.806 -5.404 11.658 1.00 0.00 H new ATOM 0 HG21 THR A 54 -7.048 -4.327 13.759 1.00 0.00 H new ATOM 0 HG22 THR A 54 -5.771 -3.187 14.247 1.00 0.00 H new ATOM 0 HG23 THR A 54 -6.899 -2.753 12.941 1.00 0.00 H new ATOM 832 N ASN A 55 -3.793 -4.454 9.912 1.00 0.00 N ATOM 833 CA ASN A 55 -2.953 -5.170 8.965 1.00 0.00 C ATOM 834 C ASN A 55 -3.845 -5.922 7.993 1.00 0.00 C ATOM 835 O ASN A 55 -5.029 -6.118 8.268 1.00 0.00 O ATOM 836 CB ASN A 55 -2.002 -6.159 9.662 1.00 0.00 C ATOM 837 CG ASN A 55 -2.715 -7.344 10.301 1.00 0.00 C ATOM 838 OD1 ASN A 55 -3.844 -7.236 10.781 1.00 0.00 O ATOM 839 ND2 ASN A 55 -2.053 -8.491 10.303 1.00 0.00 N ATOM 0 H ASN A 55 -4.780 -4.453 9.655 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.335 -4.441 8.441 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.280 -6.530 8.934 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.438 -5.628 10.429 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.477 -9.324 10.712 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -1.119 -8.542 9.896 1.00 0.00 H new ATOM 846 N ASN A 56 -3.273 -6.341 6.868 1.00 0.00 N ATOM 847 CA ASN A 56 -4.016 -7.025 5.811 1.00 0.00 C ATOM 848 C ASN A 56 -3.097 -7.233 4.624 1.00 0.00 C ATOM 849 O ASN A 56 -2.731 -8.354 4.279 1.00 0.00 O ATOM 850 CB ASN A 56 -5.229 -6.197 5.370 1.00 0.00 C ATOM 851 CG ASN A 56 -6.204 -6.977 4.507 1.00 0.00 C ATOM 852 OD1 ASN A 56 -6.271 -8.204 4.574 1.00 0.00 O ATOM 853 ND2 ASN A 56 -6.986 -6.266 3.708 1.00 0.00 N ATOM 0 H ASN A 56 -2.282 -6.217 6.662 1.00 0.00 H new ATOM 0 HA ASN A 56 -4.372 -7.982 6.193 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -5.750 -5.829 6.254 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.883 -5.324 4.817 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.675 -6.735 3.119 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.899 -5.250 3.681 1.00 0.00 H new ATOM 860 N LEU A 57 -2.700 -6.110 4.039 1.00 0.00 N ATOM 861 CA LEU A 57 -1.789 -6.064 2.898 1.00 0.00 C ATOM 862 C LEU A 57 -0.463 -6.752 3.206 1.00 0.00 C ATOM 863 O LEU A 57 0.229 -7.209 2.305 1.00 0.00 O ATOM 864 CB LEU A 57 -1.555 -4.587 2.549 1.00 0.00 C ATOM 865 CG LEU A 57 -0.460 -4.283 1.534 1.00 0.00 C ATOM 866 CD1 LEU A 57 -0.831 -4.818 0.171 1.00 0.00 C ATOM 867 CD2 LEU A 57 -0.214 -2.786 1.464 1.00 0.00 C ATOM 0 H LEU A 57 -3.007 -5.188 4.349 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.232 -6.597 2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.491 -4.175 2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.321 -4.054 3.470 1.00 0.00 H new ATOM 0 HG LEU A 57 0.457 -4.777 1.857 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.035 -4.590 -0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.967 -5.898 0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.759 -4.353 -0.162 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.570 -2.580 0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.131 -2.280 1.162 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.096 -2.422 2.444 1.00 0.00 H new ATOM 879 N GLU A 58 -0.163 -6.895 4.483 1.00 0.00 N ATOM 880 CA GLU A 58 1.168 -7.279 4.917 1.00 0.00 C ATOM 881 C GLU A 58 1.452 -8.748 4.671 1.00 0.00 C ATOM 882 O GLU A 58 2.601 -9.159 4.669 1.00 0.00 O ATOM 883 CB GLU A 58 1.398 -6.905 6.391 1.00 0.00 C ATOM 884 CG GLU A 58 0.189 -7.061 7.308 1.00 0.00 C ATOM 885 CD GLU A 58 -0.320 -8.479 7.430 1.00 0.00 C ATOM 886 OE1 GLU A 58 0.198 -9.231 8.279 1.00 0.00 O ATOM 887 OE2 GLU A 58 -1.264 -8.829 6.703 1.00 0.00 O ATOM 0 H GLU A 58 -0.828 -6.750 5.243 1.00 0.00 H new ATOM 0 HA GLU A 58 1.877 -6.716 4.310 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.209 -7.520 6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 58 1.734 -5.869 6.436 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.451 -6.695 8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.618 -6.428 6.937 1.00 0.00 H new ATOM 894 N GLN A 59 0.408 -9.518 4.432 1.00 0.00 N ATOM 895 CA GLN A 59 0.554 -10.942 4.187 1.00 0.00 C ATOM 896 C GLN A 59 1.604 -11.242 3.094 1.00 0.00 C ATOM 897 O GLN A 59 2.715 -11.700 3.385 1.00 0.00 O ATOM 898 CB GLN A 59 -0.809 -11.517 3.832 1.00 0.00 C ATOM 899 CG GLN A 59 -1.787 -11.541 4.995 1.00 0.00 C ATOM 900 CD GLN A 59 -3.199 -11.881 4.562 1.00 0.00 C ATOM 901 OE1 GLN A 59 -3.590 -13.049 4.518 1.00 0.00 O ATOM 902 NE2 GLN A 59 -3.976 -10.857 4.249 1.00 0.00 N ATOM 0 H GLN A 59 -0.554 -9.181 4.402 1.00 0.00 H new ATOM 0 HA GLN A 59 0.926 -11.421 5.093 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.239 -10.931 3.020 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.678 -12.533 3.458 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.451 -12.270 5.732 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.786 -10.568 5.486 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.611 -9.906 4.299 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.940 -11.019 3.957 1.00 0.00 H new ATOM 911 N ALA A 60 1.303 -10.885 1.858 1.00 0.00 N ATOM 912 CA ALA A 60 2.161 -11.255 0.738 1.00 0.00 C ATOM 913 C ALA A 60 3.260 -10.246 0.538 1.00 0.00 C ATOM 914 O ALA A 60 4.406 -10.616 0.309 1.00 0.00 O ATOM 915 CB ALA A 60 1.358 -11.378 -0.532 1.00 0.00 C ATOM 0 H ALA A 60 0.478 -10.343 1.602 1.00 0.00 H new ATOM 0 HA ALA A 60 2.609 -12.220 0.976 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.018 -11.655 -1.354 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.594 -12.145 -0.406 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.881 -10.424 -0.755 1.00 0.00 H new ATOM 921 N MET A 61 2.894 -8.972 0.570 1.00 0.00 N ATOM 922 CA MET A 61 3.879 -7.903 0.519 1.00 0.00 C ATOM 923 C MET A 61 5.063 -8.188 1.455 1.00 0.00 C ATOM 924 O MET A 61 6.209 -8.097 1.028 1.00 0.00 O ATOM 925 CB MET A 61 3.238 -6.544 0.843 1.00 0.00 C ATOM 926 CG MET A 61 2.975 -6.301 2.317 1.00 0.00 C ATOM 927 SD MET A 61 2.581 -4.578 2.696 1.00 0.00 S ATOM 928 CE MET A 61 2.988 -4.482 4.438 1.00 0.00 C ATOM 0 H MET A 61 1.926 -8.655 0.631 1.00 0.00 H new ATOM 0 HA MET A 61 4.264 -7.860 -0.500 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.888 -5.753 0.469 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.295 -6.464 0.302 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.150 -6.935 2.642 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.852 -6.601 2.890 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.554 -3.570 4.630 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.070 -4.470 5.026 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.588 -5.347 4.720 1.00 0.00 H new ATOM 938 N SER A 62 4.796 -8.580 2.708 1.00 0.00 N ATOM 939 CA SER A 62 5.881 -8.825 3.665 1.00 0.00 C ATOM 940 C SER A 62 6.572 -10.157 3.360 1.00 0.00 C ATOM 941 O SER A 62 7.762 -10.318 3.629 1.00 0.00 O ATOM 942 CB SER A 62 5.374 -8.809 5.109 1.00 0.00 C ATOM 943 OG SER A 62 6.450 -8.733 6.035 1.00 0.00 O ATOM 0 H SER A 62 3.857 -8.732 3.077 1.00 0.00 H new ATOM 0 HA SER A 62 6.604 -8.017 3.557 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.707 -7.959 5.253 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.789 -9.709 5.301 1.00 0.00 H new ATOM 0 HG SER A 62 6.095 -8.723 6.949 1.00 0.00 H new ATOM 949 N VAL A 63 5.828 -11.127 2.817 1.00 0.00 N ATOM 950 CA VAL A 63 6.456 -12.352 2.315 1.00 0.00 C ATOM 951 C VAL A 63 7.432 -12.040 1.171 1.00 0.00 C ATOM 952 O VAL A 63 8.490 -12.661 1.058 1.00 0.00 O ATOM 953 CB VAL A 63 5.404 -13.384 1.840 1.00 0.00 C ATOM 954 CG1 VAL A 63 6.050 -14.497 1.026 1.00 0.00 C ATOM 955 CG2 VAL A 63 4.668 -13.974 3.032 1.00 0.00 C ATOM 0 H VAL A 63 4.814 -11.090 2.715 1.00 0.00 H new ATOM 0 HA VAL A 63 7.010 -12.789 3.146 1.00 0.00 H new ATOM 0 HB VAL A 63 4.691 -12.864 1.200 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.285 -15.205 0.707 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.538 -14.071 0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.790 -15.013 1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.932 -14.698 2.683 1.00 0.00 H new ATOM 0 HG22 VAL A 63 5.381 -14.470 3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.163 -13.177 3.578 1.00 0.00 H new ATOM 965 N TYR A 64 7.077 -11.069 0.339 1.00 0.00 N ATOM 966 CA TYR A 64 7.898 -10.693 -0.812 1.00 0.00 C ATOM 967 C TYR A 64 9.056 -9.776 -0.419 1.00 0.00 C ATOM 968 O TYR A 64 10.210 -10.204 -0.385 1.00 0.00 O ATOM 969 CB TYR A 64 7.040 -10.010 -1.874 1.00 0.00 C ATOM 970 CG TYR A 64 6.741 -10.882 -3.069 1.00 0.00 C ATOM 971 CD1 TYR A 64 6.510 -12.242 -2.921 1.00 0.00 C ATOM 972 CD2 TYR A 64 6.677 -10.339 -4.346 1.00 0.00 C ATOM 973 CE1 TYR A 64 6.233 -13.040 -4.014 1.00 0.00 C ATOM 974 CE2 TYR A 64 6.399 -11.131 -5.445 1.00 0.00 C ATOM 975 CZ TYR A 64 6.177 -12.480 -5.272 1.00 0.00 C ATOM 976 OH TYR A 64 5.900 -13.272 -6.363 1.00 0.00 O ATOM 0 H TYR A 64 6.221 -10.523 0.438 1.00 0.00 H new ATOM 0 HA TYR A 64 8.323 -11.612 -1.217 1.00 0.00 H new ATOM 0 HB2 TYR A 64 6.100 -9.696 -1.421 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.548 -9.107 -2.213 1.00 0.00 H new ATOM 0 HD1 TYR A 64 6.547 -12.684 -1.936 1.00 0.00 H new ATOM 0 HD2 TYR A 64 6.847 -9.281 -4.483 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.061 -14.098 -3.883 1.00 0.00 H new ATOM 0 HE2 TYR A 64 6.356 -10.695 -6.432 1.00 0.00 H new ATOM 0 HH TYR A 64 5.897 -12.722 -7.174 1.00 0.00 H new ATOM 986 N PHE A 65 8.748 -8.516 -0.124 1.00 0.00 N ATOM 987 CA PHE A 65 9.780 -7.534 0.197 1.00 0.00 C ATOM 988 C PHE A 65 10.231 -7.706 1.643 1.00 0.00 C ATOM 989 O PHE A 65 9.555 -8.360 2.436 1.00 0.00 O ATOM 990 CB PHE A 65 9.272 -6.092 -0.065 1.00 0.00 C ATOM 991 CG PHE A 65 8.053 -5.686 0.702 1.00 0.00 C ATOM 992 CD1 PHE A 65 8.000 -5.805 2.080 1.00 0.00 C ATOM 993 CD2 PHE A 65 6.963 -5.168 0.036 1.00 0.00 C ATOM 994 CE1 PHE A 65 6.884 -5.416 2.774 1.00 0.00 C ATOM 995 CE2 PHE A 65 5.844 -4.777 0.726 1.00 0.00 C ATOM 996 CZ PHE A 65 5.804 -4.906 2.098 1.00 0.00 C ATOM 0 H PHE A 65 7.796 -8.152 -0.100 1.00 0.00 H new ATOM 0 HA PHE A 65 10.638 -7.702 -0.454 1.00 0.00 H new ATOM 0 HB2 PHE A 65 10.076 -5.395 0.170 1.00 0.00 H new ATOM 0 HB3 PHE A 65 9.061 -5.988 -1.129 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.847 -6.209 2.614 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.990 -5.069 -1.039 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.855 -5.511 3.849 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.996 -4.369 0.196 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.921 -4.605 2.642 1.00 0.00 H new ATOM 1006 N THR A 66 11.373 -7.146 1.983 1.00 0.00 N ATOM 1007 CA THR A 66 11.843 -7.187 3.353 1.00 0.00 C ATOM 1008 C THR A 66 11.348 -5.965 4.136 1.00 0.00 C ATOM 1009 O THR A 66 10.719 -5.077 3.555 1.00 0.00 O ATOM 1010 CB THR A 66 13.377 -7.291 3.401 1.00 0.00 C ATOM 1011 OG1 THR A 66 13.931 -6.729 2.205 1.00 0.00 O ATOM 1012 CG2 THR A 66 13.820 -8.739 3.536 1.00 0.00 C ATOM 0 H THR A 66 11.991 -6.659 1.334 1.00 0.00 H new ATOM 0 HA THR A 66 11.431 -8.078 3.828 1.00 0.00 H new ATOM 0 HB THR A 66 13.734 -6.740 4.271 1.00 0.00 H new ATOM 0 HG1 THR A 66 13.837 -5.754 2.228 1.00 0.00 H new ATOM 0 HG21 THR A 66 14.909 -8.785 3.568 1.00 0.00 H new ATOM 0 HG22 THR A 66 13.412 -9.160 4.455 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.457 -9.312 2.682 1.00 0.00 H new ATOM 1020 N ASN A 67 11.614 -5.907 5.434 1.00 0.00 N ATOM 1021 CA ASN A 67 11.019 -4.867 6.276 1.00 0.00 C ATOM 1022 C ASN A 67 11.557 -3.474 5.935 1.00 0.00 C ATOM 1023 O ASN A 67 10.803 -2.501 5.908 1.00 0.00 O ATOM 1024 CB ASN A 67 11.222 -5.192 7.760 1.00 0.00 C ATOM 1025 CG ASN A 67 10.639 -4.130 8.678 1.00 0.00 C ATOM 1026 OD1 ASN A 67 9.448 -4.155 9.002 1.00 0.00 O ATOM 1027 ND2 ASN A 67 11.477 -3.208 9.128 1.00 0.00 N ATOM 0 H ASN A 67 12.228 -6.556 5.926 1.00 0.00 H new ATOM 0 HA ASN A 67 9.949 -4.852 6.071 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.760 -6.153 7.984 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.288 -5.296 7.962 1.00 0.00 H new ATOM 0 HD21 ASN A 67 11.145 -2.485 9.766 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.454 -3.221 8.837 1.00 0.00 H new ATOM 1034 N GLU A 68 12.847 -3.379 5.652 1.00 0.00 N ATOM 1035 CA GLU A 68 13.440 -2.102 5.256 1.00 0.00 C ATOM 1036 C GLU A 68 12.861 -1.630 3.923 1.00 0.00 C ATOM 1037 O GLU A 68 12.692 -0.432 3.690 1.00 0.00 O ATOM 1038 CB GLU A 68 14.971 -2.213 5.201 1.00 0.00 C ATOM 1039 CG GLU A 68 15.485 -3.613 4.901 1.00 0.00 C ATOM 1040 CD GLU A 68 15.514 -3.948 3.425 1.00 0.00 C ATOM 1041 OE1 GLU A 68 14.471 -4.360 2.887 1.00 0.00 O ATOM 1042 OE2 GLU A 68 16.590 -3.835 2.808 1.00 0.00 O ATOM 0 H GLU A 68 13.502 -4.160 5.687 1.00 0.00 H new ATOM 0 HA GLU A 68 13.190 -1.352 6.007 1.00 0.00 H new ATOM 0 HB2 GLU A 68 15.346 -1.529 4.439 1.00 0.00 H new ATOM 0 HB3 GLU A 68 15.382 -1.884 6.155 1.00 0.00 H new ATOM 0 HG2 GLU A 68 16.491 -3.716 5.308 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.857 -4.339 5.417 1.00 0.00 H new ATOM 1049 N GLN A 69 12.532 -2.591 3.076 1.00 0.00 N ATOM 1050 CA GLN A 69 11.881 -2.325 1.799 1.00 0.00 C ATOM 1051 C GLN A 69 10.534 -1.641 2.013 1.00 0.00 C ATOM 1052 O GLN A 69 10.190 -0.683 1.321 1.00 0.00 O ATOM 1053 CB GLN A 69 11.674 -3.637 1.045 1.00 0.00 C ATOM 1054 CG GLN A 69 12.089 -3.586 -0.413 1.00 0.00 C ATOM 1055 CD GLN A 69 11.113 -2.816 -1.271 1.00 0.00 C ATOM 1056 OE1 GLN A 69 11.496 -2.182 -2.243 1.00 0.00 O ATOM 1057 NE2 GLN A 69 9.834 -2.900 -0.941 1.00 0.00 N ATOM 0 H GLN A 69 12.708 -3.580 3.252 1.00 0.00 H new ATOM 0 HA GLN A 69 12.520 -1.662 1.215 1.00 0.00 H new ATOM 0 HB2 GLN A 69 12.239 -4.424 1.545 1.00 0.00 H new ATOM 0 HB3 GLN A 69 10.621 -3.914 1.102 1.00 0.00 H new ATOM 0 HG2 GLN A 69 13.075 -3.127 -0.490 1.00 0.00 H new ATOM 0 HG3 GLN A 69 12.180 -4.602 -0.796 1.00 0.00 H new ATOM 0 HE21 GLN A 69 9.553 -3.439 -0.122 1.00 0.00 H new ATOM 0 HE22 GLN A 69 9.129 -2.426 -1.506 1.00 0.00 H new ATOM 1066 N ILE A 70 9.764 -2.138 2.973 1.00 0.00 N ATOM 1067 CA ILE A 70 8.455 -1.570 3.239 1.00 0.00 C ATOM 1068 C ILE A 70 8.566 -0.329 4.125 1.00 0.00 C ATOM 1069 O ILE A 70 7.617 0.439 4.261 1.00 0.00 O ATOM 1070 CB ILE A 70 7.464 -2.611 3.818 1.00 0.00 C ATOM 1071 CG1 ILE A 70 6.061 -2.024 3.937 1.00 0.00 C ATOM 1072 CG2 ILE A 70 7.919 -3.167 5.153 1.00 0.00 C ATOM 1073 CD1 ILE A 70 5.597 -1.379 2.656 1.00 0.00 C ATOM 0 H ILE A 70 10.021 -2.923 3.572 1.00 0.00 H new ATOM 0 HA ILE A 70 8.039 -1.257 2.281 1.00 0.00 H new ATOM 0 HB ILE A 70 7.440 -3.442 3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 70 5.363 -2.813 4.217 1.00 0.00 H new ATOM 0 HG13 ILE A 70 6.046 -1.286 4.739 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.189 -3.891 5.513 1.00 0.00 H new ATOM 0 HG22 ILE A 70 8.886 -3.656 5.033 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.010 -2.354 5.874 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.593 -0.977 2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.278 -0.571 2.388 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.584 -2.122 1.858 1.00 0.00 H new ATOM 1085 N LYS A 71 9.733 -0.113 4.706 1.00 0.00 N ATOM 1086 CA LYS A 71 10.027 1.171 5.310 1.00 0.00 C ATOM 1087 C LYS A 71 10.055 2.218 4.202 1.00 0.00 C ATOM 1088 O LYS A 71 9.461 3.301 4.316 1.00 0.00 O ATOM 1089 CB LYS A 71 11.372 1.135 6.036 1.00 0.00 C ATOM 1090 CG LYS A 71 11.714 2.431 6.748 1.00 0.00 C ATOM 1091 CD LYS A 71 10.803 2.675 7.939 1.00 0.00 C ATOM 1092 CE LYS A 71 10.973 1.597 9.001 1.00 0.00 C ATOM 1093 NZ LYS A 71 12.382 1.486 9.463 1.00 0.00 N ATOM 0 H LYS A 71 10.483 -0.801 4.771 1.00 0.00 H new ATOM 0 HA LYS A 71 9.262 1.416 6.046 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.361 0.323 6.763 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.158 0.908 5.316 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.751 2.399 7.083 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.630 3.263 6.049 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.022 3.651 8.372 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.765 2.699 7.606 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.329 1.822 9.852 1.00 0.00 H new ATOM 0 HE3 LYS A 71 10.647 0.638 8.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 12.418 0.923 10.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 12.953 1.022 8.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.762 2.436 9.648 1.00 0.00 H new ATOM 1107 N GLU A 72 10.724 1.854 3.109 1.00 0.00 N ATOM 1108 CA GLU A 72 10.788 2.694 1.926 1.00 0.00 C ATOM 1109 C GLU A 72 9.397 2.956 1.363 1.00 0.00 C ATOM 1110 O GLU A 72 9.043 4.103 1.113 1.00 0.00 O ATOM 1111 CB GLU A 72 11.674 2.060 0.851 1.00 0.00 C ATOM 1112 CG GLU A 72 13.141 1.973 1.235 1.00 0.00 C ATOM 1113 CD GLU A 72 13.995 1.413 0.116 1.00 0.00 C ATOM 1114 OE1 GLU A 72 13.994 1.998 -0.989 1.00 0.00 O ATOM 1115 OE2 GLU A 72 14.681 0.395 0.333 1.00 0.00 O ATOM 0 H GLU A 72 11.232 0.974 3.024 1.00 0.00 H new ATOM 0 HA GLU A 72 11.227 3.646 2.225 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.305 1.057 0.635 1.00 0.00 H new ATOM 0 HB3 GLU A 72 11.583 2.638 -0.068 1.00 0.00 H new ATOM 0 HG2 GLU A 72 13.503 2.965 1.504 1.00 0.00 H new ATOM 0 HG3 GLU A 72 13.246 1.344 2.119 1.00 0.00 H new ATOM 1122 N ILE A 73 8.595 1.904 1.169 1.00 0.00 N ATOM 1123 CA ILE A 73 7.249 2.095 0.627 1.00 0.00 C ATOM 1124 C ILE A 73 6.329 2.721 1.675 1.00 0.00 C ATOM 1125 O ILE A 73 5.257 3.198 1.346 1.00 0.00 O ATOM 1126 CB ILE A 73 6.596 0.798 0.076 1.00 0.00 C ATOM 1127 CG1 ILE A 73 7.615 -0.059 -0.642 1.00 0.00 C ATOM 1128 CG2 ILE A 73 5.465 1.141 -0.885 1.00 0.00 C ATOM 1129 CD1 ILE A 73 7.110 -1.436 -0.997 1.00 0.00 C ATOM 0 H ILE A 73 8.846 0.937 1.373 1.00 0.00 H new ATOM 0 HA ILE A 73 7.373 2.768 -0.221 1.00 0.00 H new ATOM 0 HB ILE A 73 6.199 0.240 0.924 1.00 0.00 H new ATOM 0 HG12 ILE A 73 7.926 0.450 -1.554 1.00 0.00 H new ATOM 0 HG13 ILE A 73 8.500 -0.158 -0.014 1.00 0.00 H new ATOM 0 HG21 ILE A 73 5.017 0.222 -1.263 1.00 0.00 H new ATOM 0 HG22 ILE A 73 4.708 1.725 -0.362 1.00 0.00 H new ATOM 0 HG23 ILE A 73 5.860 1.722 -1.719 1.00 0.00 H new ATOM 0 HD11 ILE A 73 7.896 -1.991 -1.509 1.00 0.00 H new ATOM 0 HD12 ILE A 73 6.826 -1.965 -0.087 1.00 0.00 H new ATOM 0 HD13 ILE A 73 6.243 -1.348 -1.651 1.00 0.00 H new ATOM 1141 N HIS A 74 6.742 2.735 2.939 1.00 0.00 N ATOM 1142 CA HIS A 74 5.991 3.482 3.940 1.00 0.00 C ATOM 1143 C HIS A 74 6.072 4.961 3.606 1.00 0.00 C ATOM 1144 O HIS A 74 5.046 5.624 3.431 1.00 0.00 O ATOM 1145 CB HIS A 74 6.502 3.235 5.367 1.00 0.00 C ATOM 1146 CG HIS A 74 5.817 4.090 6.403 1.00 0.00 C ATOM 1147 ND1 HIS A 74 4.503 3.912 6.780 1.00 0.00 N ATOM 1148 CD2 HIS A 74 6.268 5.151 7.120 1.00 0.00 C ATOM 1149 CE1 HIS A 74 4.177 4.821 7.682 1.00 0.00 C ATOM 1150 NE2 HIS A 74 5.228 5.587 7.907 1.00 0.00 N ATOM 0 H HIS A 74 7.570 2.251 3.287 1.00 0.00 H new ATOM 0 HA HIS A 74 4.957 3.137 3.914 1.00 0.00 H new ATOM 0 HB2 HIS A 74 6.358 2.185 5.620 1.00 0.00 H new ATOM 0 HB3 HIS A 74 7.575 3.427 5.400 1.00 0.00 H new ATOM 0 HD2 HIS A 74 7.261 5.575 7.080 1.00 0.00 H new ATOM 0 HE1 HIS A 74 3.212 4.921 8.156 1.00 0.00 H new ATOM 0 HE2 HIS A 74 5.263 6.372 8.557 1.00 0.00 H new ATOM 1159 N ASP A 75 7.297 5.469 3.495 1.00 0.00 N ATOM 1160 CA ASP A 75 7.503 6.864 3.119 1.00 0.00 C ATOM 1161 C ASP A 75 6.928 7.091 1.733 1.00 0.00 C ATOM 1162 O ASP A 75 6.254 8.082 1.464 1.00 0.00 O ATOM 1163 CB ASP A 75 8.995 7.205 3.106 1.00 0.00 C ATOM 1164 CG ASP A 75 9.263 8.631 3.530 1.00 0.00 C ATOM 1165 OD1 ASP A 75 8.700 9.562 2.919 1.00 0.00 O ATOM 1166 OD2 ASP A 75 10.034 8.823 4.495 1.00 0.00 O ATOM 0 H ASP A 75 8.154 4.941 3.658 1.00 0.00 H new ATOM 0 HA ASP A 75 7.004 7.504 3.847 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.526 6.525 3.772 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.393 7.046 2.104 1.00 0.00 H new ATOM 1171 N ALA A 76 7.172 6.118 0.878 1.00 0.00 N ATOM 1172 CA ALA A 76 6.773 6.175 -0.510 1.00 0.00 C ATOM 1173 C ALA A 76 5.262 6.189 -0.696 1.00 0.00 C ATOM 1174 O ALA A 76 4.740 7.002 -1.428 1.00 0.00 O ATOM 1175 CB ALA A 76 7.364 5.001 -1.248 1.00 0.00 C ATOM 0 H ALA A 76 7.658 5.258 1.132 1.00 0.00 H new ATOM 0 HA ALA A 76 7.150 7.114 -0.915 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.065 5.041 -2.295 1.00 0.00 H new ATOM 0 HB2 ALA A 76 8.451 5.038 -1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 76 7.004 4.073 -0.803 1.00 0.00 H new ATOM 1181 N ALA A 77 4.555 5.293 -0.055 1.00 0.00 N ATOM 1182 CA ALA A 77 3.128 5.192 -0.291 1.00 0.00 C ATOM 1183 C ALA A 77 2.346 6.201 0.544 1.00 0.00 C ATOM 1184 O ALA A 77 1.180 6.468 0.271 1.00 0.00 O ATOM 1185 CB ALA A 77 2.655 3.774 -0.041 1.00 0.00 C ATOM 0 H ALA A 77 4.931 4.631 0.624 1.00 0.00 H new ATOM 0 HA ALA A 77 2.938 5.436 -1.336 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.582 3.711 -0.222 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.177 3.093 -0.713 1.00 0.00 H new ATOM 0 HB3 ALA A 77 2.866 3.497 0.992 1.00 0.00 H new ATOM 1191 N THR A 78 2.992 6.778 1.551 1.00 0.00 N ATOM 1192 CA THR A 78 2.340 7.795 2.367 1.00 0.00 C ATOM 1193 C THR A 78 2.654 9.195 1.842 1.00 0.00 C ATOM 1194 O THR A 78 1.753 9.993 1.576 1.00 0.00 O ATOM 1195 CB THR A 78 2.773 7.693 3.844 1.00 0.00 C ATOM 1196 OG1 THR A 78 2.602 6.348 4.305 1.00 0.00 O ATOM 1197 CG2 THR A 78 1.962 8.639 4.721 1.00 0.00 C ATOM 0 H THR A 78 3.952 6.563 1.819 1.00 0.00 H new ATOM 0 HA THR A 78 1.266 7.619 2.305 1.00 0.00 H new ATOM 0 HB THR A 78 3.823 7.977 3.912 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.411 5.830 4.111 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.289 8.545 5.757 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.111 9.665 4.385 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.905 8.384 4.650 1.00 0.00 H new ATOM 1205 N ALA A 79 3.941 9.484 1.692 1.00 0.00 N ATOM 1206 CA ALA A 79 4.399 10.800 1.258 1.00 0.00 C ATOM 1207 C ALA A 79 4.669 10.833 -0.239 1.00 0.00 C ATOM 1208 O ALA A 79 5.025 11.879 -0.790 1.00 0.00 O ATOM 1209 CB ALA A 79 5.653 11.205 2.013 1.00 0.00 C ATOM 0 H ALA A 79 4.693 8.818 1.866 1.00 0.00 H new ATOM 0 HA ALA A 79 3.601 11.510 1.477 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.979 12.189 1.676 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.439 11.240 3.081 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.442 10.477 1.825 1.00 0.00 H new ATOM 1215 N CYS A 80 4.507 9.674 -0.881 1.00 0.00 N ATOM 1216 CA CYS A 80 4.872 9.471 -2.281 1.00 0.00 C ATOM 1217 C CYS A 80 6.336 9.833 -2.500 1.00 0.00 C ATOM 1218 O CYS A 80 6.702 10.550 -3.430 1.00 0.00 O ATOM 1219 CB CYS A 80 3.908 10.166 -3.263 1.00 0.00 C ATOM 1220 SG CYS A 80 2.787 11.411 -2.527 1.00 0.00 S ATOM 0 H CYS A 80 4.115 8.843 -0.438 1.00 0.00 H new ATOM 0 HA CYS A 80 4.762 8.411 -2.509 1.00 0.00 H new ATOM 0 HB2 CYS A 80 4.498 10.650 -4.041 1.00 0.00 H new ATOM 0 HB3 CYS A 80 3.303 9.402 -3.751 1.00 0.00 H new ATOM 1225 N ASP A 81 7.164 9.284 -1.612 1.00 0.00 N ATOM 1226 CA ASP A 81 8.602 9.522 -1.603 1.00 0.00 C ATOM 1227 C ASP A 81 9.346 8.204 -1.382 1.00 0.00 C ATOM 1228 O ASP A 81 9.690 7.871 -0.250 1.00 0.00 O ATOM 1229 CB ASP A 81 8.937 10.490 -0.460 1.00 0.00 C ATOM 1230 CG ASP A 81 10.387 10.961 -0.440 1.00 0.00 C ATOM 1231 OD1 ASP A 81 11.314 10.123 -0.474 1.00 0.00 O ATOM 1232 OD2 ASP A 81 10.607 12.188 -0.377 1.00 0.00 O ATOM 0 H ASP A 81 6.850 8.656 -0.872 1.00 0.00 H new ATOM 0 HA ASP A 81 8.907 9.949 -2.559 1.00 0.00 H new ATOM 0 HB2 ASP A 81 8.286 11.361 -0.535 1.00 0.00 H new ATOM 0 HB3 ASP A 81 8.712 10.004 0.489 1.00 0.00 H new