USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 579 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 MET CE :methyl -155:sc= -0.0834 (180deg=-0.488) USER MOD Single : A 20 MET CE :methyl -132:sc= -2.88 (180deg=-3.94!) USER MOD Single : A 23 THR OG1 : rot 152:sc= 1.25 USER MOD Single : A 25 SER OG : rot 115:sc= -2.25! USER MOD Single : A 27 ASN : amide:sc= -2.59! C(o=-2.6!,f=-6.8!) USER MOD Single : A 29 THR OG1 : rot 119:sc= 0.0529 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= -0.203 (180deg=-0.203) USER MOD Single : A 33 THR OG1 : rot -70:sc= 0.54 USER MOD Single : A 37 THR OG1 : rot -80:sc= 1.16 USER MOD Single : A 38 SER OG : rot -78:sc= 0.865 USER MOD Single : A 41 GLN : amide:sc= 1.18 K(o=1.2,f=-0.47) USER MOD Single : A 43 SER OG : rot -80:sc= 1.25 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= -0.262 K(o=-0.26,f=-1) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= 0.0154 X(o=0.015,f=-0.034) USER MOD Single : A 58 SER OG : rot -134:sc= 1.16 USER MOD Single : A 64 MET CE :methyl 164:sc= 0 (180deg=-0.318) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot -142:sc= -0.323 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 86:sc= 0.908 USER MOD Single : A 81 GLN : amide:sc= -0.865 K(o=-0.87,f=-0.16) USER MOD Single : A 84 CYS SG : rot -76:sc= -1.47! USER MOD Single : A 88 THR OG1 : rot 1:sc= 0.567 USER MOD ----------------------------------------------------------------- ATOM 233 N LYS A 16 -0.300 14.133 0.095 1.00 0.00 N ATOM 234 CA LYS A 16 0.657 13.354 -0.618 1.00 0.00 C ATOM 235 C LYS A 16 -0.027 12.144 -1.218 1.00 0.00 C ATOM 236 O LYS A 16 -0.652 11.347 -0.506 1.00 0.00 O ATOM 237 CB LYS A 16 1.816 12.928 0.273 1.00 0.00 C ATOM 238 CG LYS A 16 2.944 12.222 -0.471 1.00 0.00 C ATOM 239 CD LYS A 16 3.662 13.128 -1.476 1.00 0.00 C ATOM 240 CE LYS A 16 4.470 14.218 -0.784 1.00 0.00 C ATOM 241 NZ LYS A 16 5.121 15.133 -1.749 1.00 0.00 N ATOM 0 HA LYS A 16 1.076 13.969 -1.414 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.220 13.809 0.772 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.438 12.265 1.052 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.668 11.846 0.252 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.539 11.357 -0.996 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.324 12.526 -2.099 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.929 13.586 -2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.815 14.791 -0.128 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.230 13.758 -0.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.659 15.857 -1.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.767 14.592 -2.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.395 15.593 -2.335 1.00 0.00 H new ATOM 255 N THR A 17 0.049 12.043 -2.499 1.00 0.00 N ATOM 256 CA THR A 17 -0.480 10.932 -3.219 1.00 0.00 C ATOM 257 C THR A 17 0.657 9.903 -3.355 1.00 0.00 C ATOM 258 O THR A 17 1.755 10.250 -3.814 1.00 0.00 O ATOM 259 CB THR A 17 -0.950 11.434 -4.606 1.00 0.00 C ATOM 260 OG1 THR A 17 -1.807 12.581 -4.424 1.00 0.00 O ATOM 261 CG2 THR A 17 -1.721 10.366 -5.366 1.00 0.00 C ATOM 0 H THR A 17 0.491 12.746 -3.092 1.00 0.00 H new ATOM 0 HA THR A 17 -1.330 10.473 -2.714 1.00 0.00 H new ATOM 0 HB THR A 17 -0.064 11.692 -5.186 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.108 12.906 -5.298 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.032 10.761 -6.333 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.083 9.495 -5.517 1.00 0.00 H new ATOM 0 HG23 THR A 17 -2.601 10.076 -4.793 1.00 0.00 H new ATOM 269 N LEU A 18 0.434 8.681 -2.923 1.00 0.00 N ATOM 270 CA LEU A 18 1.509 7.673 -2.955 1.00 0.00 C ATOM 271 C LEU A 18 1.062 6.396 -3.570 1.00 0.00 C ATOM 272 O LEU A 18 0.175 5.757 -3.075 1.00 0.00 O ATOM 273 CB LEU A 18 2.008 7.332 -1.554 1.00 0.00 C ATOM 274 CG LEU A 18 2.963 8.239 -0.860 1.00 0.00 C ATOM 275 CD1 LEU A 18 2.947 7.764 0.506 1.00 0.00 C ATOM 276 CD2 LEU A 18 4.367 8.032 -1.379 1.00 0.00 C ATOM 0 H LEU A 18 -0.456 8.351 -2.550 1.00 0.00 H new ATOM 0 HA LEU A 18 2.304 8.124 -3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.132 7.233 -0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.476 6.349 -1.607 1.00 0.00 H new ATOM 0 HG LEU A 18 2.693 9.287 -0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.624 8.369 1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.936 7.841 0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.269 6.723 0.533 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.050 8.704 -0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.671 7.000 -1.205 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.394 8.243 -2.448 1.00 0.00 H new ATOM 288 N MET A 19 1.658 6.016 -4.622 1.00 0.00 N ATOM 289 CA MET A 19 1.393 4.719 -5.139 1.00 0.00 C ATOM 290 C MET A 19 2.264 3.707 -4.420 1.00 0.00 C ATOM 291 O MET A 19 3.504 3.737 -4.527 1.00 0.00 O ATOM 292 CB MET A 19 1.583 4.642 -6.681 1.00 0.00 C ATOM 293 CG MET A 19 2.965 5.042 -7.193 1.00 0.00 C ATOM 294 SD MET A 19 3.146 4.893 -8.984 1.00 0.00 S ATOM 295 CE MET A 19 2.951 3.122 -9.212 1.00 0.00 C ATOM 0 H MET A 19 2.332 6.571 -5.150 1.00 0.00 H new ATOM 0 HA MET A 19 0.344 4.486 -4.957 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.376 3.622 -7.005 1.00 0.00 H new ATOM 0 HB3 MET A 19 0.840 5.284 -7.154 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.167 6.072 -6.901 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.717 4.420 -6.708 1.00 0.00 H new ATOM 0 HE1 MET A 19 3.455 2.815 -10.128 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.388 2.596 -8.364 1.00 0.00 H new ATOM 0 HE3 MET A 19 1.891 2.879 -9.283 1.00 0.00 H new ATOM 305 N MET A 20 1.642 2.851 -3.621 1.00 0.00 N ATOM 306 CA MET A 20 2.398 1.765 -3.057 1.00 0.00 C ATOM 307 C MET A 20 2.452 0.664 -4.014 1.00 0.00 C ATOM 308 O MET A 20 1.474 -0.059 -4.205 1.00 0.00 O ATOM 309 CB MET A 20 1.824 1.169 -1.792 1.00 0.00 C ATOM 310 CG MET A 20 1.950 1.986 -0.585 1.00 0.00 C ATOM 311 SD MET A 20 2.137 0.961 0.841 1.00 0.00 S ATOM 312 CE MET A 20 2.027 2.177 2.077 1.00 0.00 C ATOM 0 H MET A 20 0.656 2.890 -3.362 1.00 0.00 H new ATOM 0 HA MET A 20 3.367 2.204 -2.822 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.767 0.962 -1.958 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.312 0.211 -1.611 1.00 0.00 H new ATOM 0 HG2 MET A 20 2.809 2.651 -0.677 1.00 0.00 H new ATOM 0 HG3 MET A 20 1.069 2.617 -0.473 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.842 2.046 2.789 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.097 3.165 1.622 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.073 2.083 2.596 1.00 0.00 H new ATOM 322 N PHE A 21 3.594 0.579 -4.624 1.00 0.00 N ATOM 323 CA PHE A 21 3.966 -0.446 -5.530 1.00 0.00 C ATOM 324 C PHE A 21 4.584 -1.501 -4.656 1.00 0.00 C ATOM 325 O PHE A 21 5.733 -1.371 -4.180 1.00 0.00 O ATOM 326 CB PHE A 21 4.949 0.173 -6.536 1.00 0.00 C ATOM 327 CG PHE A 21 5.607 -0.701 -7.566 1.00 0.00 C ATOM 328 CD1 PHE A 21 6.681 -1.500 -7.239 1.00 0.00 C ATOM 329 CD2 PHE A 21 5.187 -0.661 -8.887 1.00 0.00 C ATOM 330 CE1 PHE A 21 7.318 -2.247 -8.194 1.00 0.00 C ATOM 331 CE2 PHE A 21 5.826 -1.418 -9.849 1.00 0.00 C ATOM 332 CZ PHE A 21 6.891 -2.210 -9.500 1.00 0.00 C ATOM 0 H PHE A 21 4.332 1.270 -4.489 1.00 0.00 H new ATOM 0 HA PHE A 21 3.155 -0.882 -6.112 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.417 0.961 -7.069 1.00 0.00 H new ATOM 0 HB3 PHE A 21 5.741 0.655 -5.963 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.025 -1.538 -6.216 1.00 0.00 H new ATOM 0 HD2 PHE A 21 4.354 -0.033 -9.166 1.00 0.00 H new ATOM 0 HE1 PHE A 21 8.159 -2.867 -7.920 1.00 0.00 H new ATOM 0 HE2 PHE A 21 5.488 -1.387 -10.874 1.00 0.00 H new ATOM 0 HZ PHE A 21 7.393 -2.803 -10.250 1.00 0.00 H new ATOM 342 N VAL A 22 3.789 -2.459 -4.348 1.00 0.00 N ATOM 343 CA VAL A 22 4.123 -3.444 -3.387 1.00 0.00 C ATOM 344 C VAL A 22 4.502 -4.779 -4.002 1.00 0.00 C ATOM 345 O VAL A 22 3.754 -5.365 -4.793 1.00 0.00 O ATOM 346 CB VAL A 22 3.025 -3.558 -2.242 1.00 0.00 C ATOM 347 CG1 VAL A 22 1.649 -3.101 -2.733 1.00 0.00 C ATOM 348 CG2 VAL A 22 2.939 -4.974 -1.663 1.00 0.00 C ATOM 0 H VAL A 22 2.867 -2.583 -4.767 1.00 0.00 H new ATOM 0 HA VAL A 22 5.034 -3.100 -2.897 1.00 0.00 H new ATOM 0 HB VAL A 22 3.344 -2.890 -1.442 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.925 -3.193 -1.924 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.704 -2.061 -3.054 1.00 0.00 H new ATOM 0 HG13 VAL A 22 1.337 -3.723 -3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.176 -5.003 -0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.677 -5.676 -2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.903 -5.252 -1.237 1.00 0.00 H new ATOM 358 N THR A 23 5.685 -5.200 -3.663 1.00 0.00 N ATOM 359 CA THR A 23 6.203 -6.470 -4.017 1.00 0.00 C ATOM 360 C THR A 23 5.603 -7.507 -2.987 1.00 0.00 C ATOM 361 O THR A 23 5.608 -7.208 -1.768 1.00 0.00 O ATOM 362 CB THR A 23 7.738 -6.415 -3.851 1.00 0.00 C ATOM 363 OG1 THR A 23 8.293 -5.395 -4.705 1.00 0.00 O ATOM 364 CG2 THR A 23 8.386 -7.746 -4.138 1.00 0.00 C ATOM 0 H THR A 23 6.334 -4.639 -3.111 1.00 0.00 H new ATOM 0 HA THR A 23 5.951 -6.750 -5.040 1.00 0.00 H new ATOM 0 HB THR A 23 7.947 -6.169 -2.810 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.120 -5.050 -4.308 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.465 -7.661 -4.009 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.996 -8.496 -3.450 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.166 -8.045 -5.163 1.00 0.00 H new ATOM 372 N VAL A 24 5.103 -8.691 -3.410 1.00 0.00 N ATOM 373 CA VAL A 24 4.473 -9.571 -2.468 1.00 0.00 C ATOM 374 C VAL A 24 5.373 -10.868 -2.337 1.00 0.00 C ATOM 375 O VAL A 24 6.112 -11.172 -3.284 1.00 0.00 O ATOM 376 CB VAL A 24 3.032 -9.906 -2.985 1.00 0.00 C ATOM 377 CG1 VAL A 24 2.979 -11.042 -3.986 1.00 0.00 C ATOM 378 CG2 VAL A 24 1.967 -10.038 -1.889 1.00 0.00 C ATOM 0 H VAL A 24 5.133 -9.029 -4.372 1.00 0.00 H new ATOM 0 HA VAL A 24 4.377 -9.114 -1.483 1.00 0.00 H new ATOM 0 HB VAL A 24 2.757 -9.008 -3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 24 1.946 -11.209 -4.293 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.580 -10.786 -4.859 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.373 -11.949 -3.528 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.004 -10.270 -2.344 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.247 -10.838 -1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.892 -9.100 -1.340 1.00 0.00 H new ATOM 388 N SER A 25 5.380 -11.596 -1.193 1.00 0.00 N ATOM 389 CA SER A 25 6.141 -12.836 -1.115 1.00 0.00 C ATOM 390 C SER A 25 5.229 -13.964 -1.622 1.00 0.00 C ATOM 391 O SER A 25 4.016 -13.761 -1.649 1.00 0.00 O ATOM 392 CB SER A 25 6.535 -13.106 0.349 1.00 0.00 C ATOM 393 OG SER A 25 7.401 -12.118 0.845 1.00 0.00 O ATOM 0 H SER A 25 4.878 -11.343 -0.342 1.00 0.00 H new ATOM 0 HA SER A 25 7.049 -12.774 -1.714 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.637 -13.146 0.966 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.016 -14.081 0.422 1.00 0.00 H new ATOM 0 HG SER A 25 6.957 -11.626 1.567 1.00 0.00 H new ATOM 399 N GLY A 26 5.764 -15.132 -2.026 1.00 0.00 N ATOM 400 CA GLY A 26 4.890 -16.155 -2.462 1.00 0.00 C ATOM 401 C GLY A 26 4.408 -15.895 -3.879 1.00 0.00 C ATOM 402 O GLY A 26 3.286 -15.456 -4.054 1.00 0.00 O ATOM 0 H GLY A 26 6.759 -15.354 -2.048 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.401 -17.117 -2.419 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.035 -16.218 -1.789 1.00 0.00 H new ATOM 406 N ASN A 27 5.272 -16.059 -4.879 1.00 0.00 N ATOM 407 CA ASN A 27 4.871 -15.931 -6.264 1.00 0.00 C ATOM 408 C ASN A 27 4.364 -17.289 -6.779 1.00 0.00 C ATOM 409 O ASN A 27 5.169 -18.200 -7.040 1.00 0.00 O ATOM 410 CB ASN A 27 6.132 -15.484 -7.054 1.00 0.00 C ATOM 411 CG ASN A 27 6.017 -15.407 -8.581 1.00 0.00 C ATOM 412 OD1 ASN A 27 5.316 -16.176 -9.240 1.00 0.00 O ATOM 413 ND2 ASN A 27 6.724 -14.475 -9.152 1.00 0.00 N ATOM 0 H ASN A 27 6.258 -16.282 -4.746 1.00 0.00 H new ATOM 0 HA ASN A 27 4.066 -15.206 -6.384 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.428 -14.501 -6.688 1.00 0.00 H new ATOM 0 HB3 ASN A 27 6.943 -16.171 -6.811 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.705 -14.370 -10.166 1.00 0.00 H new ATOM 0 HD22 ASN A 27 7.297 -13.850 -8.585 1.00 0.00 H new ATOM 420 N PRO A 28 3.024 -17.495 -6.877 1.00 0.00 N ATOM 421 CA PRO A 28 2.490 -18.678 -7.467 1.00 0.00 C ATOM 422 C PRO A 28 1.601 -18.488 -8.735 1.00 0.00 C ATOM 423 O PRO A 28 1.620 -19.359 -9.609 1.00 0.00 O ATOM 424 CB PRO A 28 1.626 -19.193 -6.317 1.00 0.00 C ATOM 425 CG PRO A 28 1.165 -17.942 -5.600 1.00 0.00 C ATOM 426 CD PRO A 28 1.968 -16.795 -6.177 1.00 0.00 C ATOM 0 HA PRO A 28 3.287 -19.322 -7.838 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.780 -19.774 -6.685 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.195 -19.844 -5.653 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.097 -17.781 -5.748 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.328 -18.028 -4.526 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.373 -16.176 -6.848 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.358 -16.138 -5.400 1.00 0.00 H new ATOM 434 N THR A 29 0.851 -17.362 -8.908 1.00 0.00 N ATOM 435 CA THR A 29 -0.246 -17.503 -9.999 1.00 0.00 C ATOM 436 C THR A 29 -0.350 -16.341 -11.027 1.00 0.00 C ATOM 437 O THR A 29 0.406 -16.270 -11.981 1.00 0.00 O ATOM 438 CB THR A 29 -1.598 -17.782 -9.297 1.00 0.00 C ATOM 439 OG1 THR A 29 -1.616 -17.059 -8.047 1.00 0.00 O ATOM 440 CG2 THR A 29 -1.801 -19.270 -9.047 1.00 0.00 C ATOM 0 H THR A 29 0.931 -16.472 -8.416 1.00 0.00 H new ATOM 0 HA THR A 29 0.052 -18.341 -10.629 1.00 0.00 H new ATOM 0 HB THR A 29 -2.412 -17.450 -9.942 1.00 0.00 H new ATOM 0 HG1 THR A 29 -2.352 -16.412 -8.054 1.00 0.00 H new ATOM 0 HG21 THR A 29 -2.760 -19.429 -8.553 1.00 0.00 H new ATOM 0 HG22 THR A 29 -1.790 -19.803 -9.997 1.00 0.00 H new ATOM 0 HG23 THR A 29 -0.999 -19.645 -8.411 1.00 0.00 H new ATOM 448 N GLU A 30 -1.321 -15.449 -10.780 1.00 0.00 N ATOM 449 CA GLU A 30 -1.367 -14.126 -11.231 1.00 0.00 C ATOM 450 C GLU A 30 -0.880 -13.434 -9.907 1.00 0.00 C ATOM 451 O GLU A 30 -0.951 -12.225 -9.642 1.00 0.00 O ATOM 452 CB GLU A 30 -2.798 -13.741 -11.571 1.00 0.00 C ATOM 453 CG GLU A 30 -2.973 -12.306 -11.962 1.00 0.00 C ATOM 454 CD GLU A 30 -2.560 -12.033 -13.370 1.00 0.00 C ATOM 455 OE1 GLU A 30 -1.377 -12.177 -13.698 1.00 0.00 O ATOM 456 OE2 GLU A 30 -3.421 -11.654 -14.174 1.00 0.00 O ATOM 0 H GLU A 30 -2.135 -15.691 -10.215 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.797 -13.885 -12.128 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.148 -14.373 -12.387 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -3.433 -13.951 -10.710 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.018 -12.025 -11.834 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.389 -11.678 -11.289 1.00 0.00 H new ATOM 463 N LYS A 31 -0.496 -14.374 -9.051 1.00 0.00 N ATOM 464 CA LYS A 31 0.123 -14.315 -7.912 1.00 0.00 C ATOM 465 C LYS A 31 -0.687 -14.015 -6.764 1.00 0.00 C ATOM 466 O LYS A 31 -1.943 -13.931 -6.793 1.00 0.00 O ATOM 467 CB LYS A 31 1.471 -13.649 -8.051 1.00 0.00 C ATOM 468 CG LYS A 31 2.423 -14.634 -8.689 1.00 0.00 C ATOM 469 CD LYS A 31 3.147 -14.198 -9.959 1.00 0.00 C ATOM 470 CE LYS A 31 2.240 -14.148 -11.145 1.00 0.00 C ATOM 471 NZ LYS A 31 2.969 -14.038 -12.431 1.00 0.00 N ATOM 0 H LYS A 31 -0.698 -15.348 -9.276 1.00 0.00 H new ATOM 0 HA LYS A 31 0.373 -15.336 -7.624 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.389 -12.750 -8.662 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.844 -13.338 -7.075 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.177 -14.901 -7.948 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.864 -15.542 -8.916 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.589 -13.214 -9.802 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.967 -14.887 -10.161 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.622 -15.046 -11.160 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.565 -13.298 -11.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.287 -14.008 -13.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.539 -13.168 -12.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.594 -14.861 -12.547 1.00 0.00 H new ATOM 485 N GLU A 32 -0.007 -13.885 -5.747 1.00 0.00 N ATOM 486 CA GLU A 32 -0.507 -13.465 -4.551 1.00 0.00 C ATOM 487 C GLU A 32 -1.080 -12.016 -4.776 1.00 0.00 C ATOM 488 O GLU A 32 -1.921 -11.570 -4.093 1.00 0.00 O ATOM 489 CB GLU A 32 0.679 -13.588 -3.641 1.00 0.00 C ATOM 490 CG GLU A 32 0.483 -13.190 -2.197 1.00 0.00 C ATOM 491 CD GLU A 32 -0.548 -14.090 -1.590 1.00 0.00 C ATOM 492 OE1 GLU A 32 -1.735 -13.848 -1.746 1.00 0.00 O ATOM 493 OE2 GLU A 32 -0.172 -15.122 -1.029 1.00 0.00 O ATOM 0 H GLU A 32 0.993 -14.084 -5.721 1.00 0.00 H new ATOM 0 HA GLU A 32 -1.339 -14.020 -4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.016 -14.624 -3.663 1.00 0.00 H new ATOM 0 HB3 GLU A 32 1.485 -12.981 -4.053 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.423 -13.270 -1.652 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.163 -12.150 -2.131 1.00 0.00 H new ATOM 500 N THR A 33 -0.700 -11.437 -5.924 1.00 0.00 N ATOM 501 CA THR A 33 -1.210 -10.220 -6.425 1.00 0.00 C ATOM 502 C THR A 33 -2.646 -10.429 -6.810 1.00 0.00 C ATOM 503 O THR A 33 -3.470 -9.668 -6.429 1.00 0.00 O ATOM 504 CB THR A 33 -0.430 -9.817 -7.642 1.00 0.00 C ATOM 505 OG1 THR A 33 0.865 -9.552 -7.182 1.00 0.00 O ATOM 506 CG2 THR A 33 -1.008 -8.570 -8.297 1.00 0.00 C ATOM 0 H THR A 33 0.006 -11.850 -6.533 1.00 0.00 H new ATOM 0 HA THR A 33 -1.130 -9.441 -5.667 1.00 0.00 H new ATOM 0 HB THR A 33 -0.457 -10.603 -8.396 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.860 -8.731 -6.646 1.00 0.00 H new ATOM 0 HG21 THR A 33 -0.415 -8.312 -9.174 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.038 -8.762 -8.599 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.986 -7.743 -7.587 1.00 0.00 H new ATOM 514 N GLU A 34 -2.933 -11.504 -7.567 1.00 0.00 N ATOM 515 CA GLU A 34 -4.304 -11.821 -7.948 1.00 0.00 C ATOM 516 C GLU A 34 -5.185 -11.995 -6.683 1.00 0.00 C ATOM 517 O GLU A 34 -6.266 -11.342 -6.549 1.00 0.00 O ATOM 518 CB GLU A 34 -4.379 -13.084 -8.852 1.00 0.00 C ATOM 519 CG GLU A 34 -4.584 -14.434 -8.168 1.00 0.00 C ATOM 520 CD GLU A 34 -4.785 -15.554 -9.137 1.00 0.00 C ATOM 521 OE1 GLU A 34 -3.827 -15.951 -9.790 1.00 0.00 O ATOM 522 OE2 GLU A 34 -5.911 -16.079 -9.237 1.00 0.00 O ATOM 0 H GLU A 34 -2.234 -12.157 -7.920 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.687 -10.985 -8.534 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.193 -12.941 -9.562 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.457 -13.138 -9.431 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -3.719 -14.653 -7.542 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.449 -14.373 -7.507 1.00 0.00 H new ATOM 529 N GLU A 35 -4.669 -12.808 -5.726 1.00 0.00 N ATOM 530 CA GLU A 35 -5.402 -13.129 -4.469 1.00 0.00 C ATOM 531 C GLU A 35 -5.761 -11.858 -3.721 1.00 0.00 C ATOM 532 O GLU A 35 -6.928 -11.546 -3.416 1.00 0.00 O ATOM 533 CB GLU A 35 -4.505 -13.954 -3.544 1.00 0.00 C ATOM 534 CG GLU A 35 -4.067 -15.281 -4.090 1.00 0.00 C ATOM 535 CD GLU A 35 -5.221 -16.192 -4.333 1.00 0.00 C ATOM 536 OE1 GLU A 35 -5.839 -16.662 -3.352 1.00 0.00 O ATOM 537 OE2 GLU A 35 -5.519 -16.478 -5.479 1.00 0.00 O ATOM 0 H GLU A 35 -3.754 -13.252 -5.798 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.303 -13.679 -4.741 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -3.618 -13.367 -3.307 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.035 -14.123 -2.607 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -3.523 -15.128 -5.022 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.375 -15.751 -3.391 1.00 0.00 H new ATOM 544 N ILE A 36 -4.745 -11.155 -3.468 1.00 0.00 N ATOM 545 CA ILE A 36 -4.727 -9.957 -2.737 1.00 0.00 C ATOM 546 C ILE A 36 -5.383 -8.786 -3.488 1.00 0.00 C ATOM 547 O ILE A 36 -5.938 -7.936 -2.871 1.00 0.00 O ATOM 548 CB ILE A 36 -3.282 -9.719 -2.446 1.00 0.00 C ATOM 549 CG1 ILE A 36 -2.744 -10.480 -1.232 1.00 0.00 C ATOM 550 CG2 ILE A 36 -2.737 -8.323 -2.643 1.00 0.00 C ATOM 551 CD1 ILE A 36 -1.252 -10.534 -1.246 1.00 0.00 C ATOM 0 H ILE A 36 -3.816 -11.422 -3.794 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.319 -10.032 -1.825 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.815 -10.207 -3.301 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.084 -9.996 -0.316 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.147 -11.493 -1.226 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.676 -8.308 -2.392 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.868 -8.025 -3.683 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.273 -7.629 -1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -0.899 -11.081 -0.371 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -0.915 -11.040 -2.151 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -0.851 -9.521 -1.226 1.00 0.00 H new ATOM 563 N THR A 37 -5.353 -8.747 -4.805 1.00 0.00 N ATOM 564 CA THR A 37 -6.005 -7.636 -5.466 1.00 0.00 C ATOM 565 C THR A 37 -7.476 -7.773 -5.358 1.00 0.00 C ATOM 566 O THR A 37 -8.154 -6.818 -4.985 1.00 0.00 O ATOM 567 CB THR A 37 -5.595 -7.402 -6.928 1.00 0.00 C ATOM 568 OG1 THR A 37 -5.529 -8.647 -7.637 1.00 0.00 O ATOM 569 CG2 THR A 37 -4.275 -6.642 -7.027 1.00 0.00 C ATOM 0 H THR A 37 -4.908 -9.434 -5.413 1.00 0.00 H new ATOM 0 HA THR A 37 -5.659 -6.748 -4.936 1.00 0.00 H new ATOM 0 HB THR A 37 -6.360 -6.781 -7.394 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.679 -9.092 -7.438 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.017 -6.495 -8.076 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.376 -5.673 -6.539 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.488 -7.215 -6.537 1.00 0.00 H new ATOM 577 N SER A 38 -7.972 -8.979 -5.601 1.00 0.00 N ATOM 578 CA SER A 38 -9.376 -9.210 -5.473 1.00 0.00 C ATOM 579 C SER A 38 -9.831 -8.922 -4.037 1.00 0.00 C ATOM 580 O SER A 38 -10.596 -7.956 -3.801 1.00 0.00 O ATOM 581 CB SER A 38 -9.733 -10.621 -5.949 1.00 0.00 C ATOM 582 OG SER A 38 -8.821 -11.578 -5.438 1.00 0.00 O ATOM 0 H SER A 38 -7.421 -9.790 -5.882 1.00 0.00 H new ATOM 0 HA SER A 38 -9.921 -8.521 -6.118 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.745 -10.871 -5.629 1.00 0.00 H new ATOM 0 HB3 SER A 38 -9.726 -10.653 -7.039 1.00 0.00 H new ATOM 0 HG SER A 38 -7.991 -11.549 -5.958 1.00 0.00 H new ATOM 588 N LEU A 39 -9.252 -9.651 -3.078 1.00 0.00 N ATOM 589 CA LEU A 39 -9.639 -9.510 -1.685 1.00 0.00 C ATOM 590 C LEU A 39 -9.305 -8.114 -1.114 1.00 0.00 C ATOM 591 O LEU A 39 -10.202 -7.430 -0.562 1.00 0.00 O ATOM 592 CB LEU A 39 -9.068 -10.660 -0.808 1.00 0.00 C ATOM 593 CG LEU A 39 -9.422 -10.624 0.681 1.00 0.00 C ATOM 594 CD1 LEU A 39 -10.924 -10.782 0.884 1.00 0.00 C ATOM 595 CD2 LEU A 39 -8.660 -11.702 1.436 1.00 0.00 C ATOM 0 H LEU A 39 -8.518 -10.339 -3.247 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.725 -9.596 -1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.417 -11.608 -1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.982 -10.653 -0.901 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.128 -9.653 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.152 -10.753 1.949 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.447 -9.970 0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.249 -11.736 0.469 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.924 -11.662 2.493 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.921 -12.681 1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.588 -11.537 1.323 1.00 0.00 H new ATOM 607 N TRP A 40 -8.067 -7.638 -1.303 1.00 0.00 N ATOM 608 CA TRP A 40 -7.696 -6.377 -0.719 1.00 0.00 C ATOM 609 C TRP A 40 -8.309 -5.269 -1.472 1.00 0.00 C ATOM 610 O TRP A 40 -9.096 -4.606 -0.920 1.00 0.00 O ATOM 611 CB TRP A 40 -6.191 -6.094 -0.601 1.00 0.00 C ATOM 612 CG TRP A 40 -5.371 -7.076 0.164 1.00 0.00 C ATOM 613 CD1 TRP A 40 -5.789 -8.161 0.875 1.00 0.00 C ATOM 614 CD2 TRP A 40 -3.955 -7.046 0.265 1.00 0.00 C ATOM 615 NE1 TRP A 40 -4.703 -8.824 1.381 1.00 0.00 N ATOM 616 CE2 TRP A 40 -3.564 -8.153 1.025 1.00 0.00 C ATOM 617 CE3 TRP A 40 -2.974 -6.183 -0.236 1.00 0.00 C ATOM 618 CZ2 TRP A 40 -2.222 -8.434 1.295 1.00 0.00 C ATOM 619 CZ3 TRP A 40 -1.649 -6.455 0.027 1.00 0.00 C ATOM 620 CH2 TRP A 40 -1.279 -7.573 0.781 1.00 0.00 C ATOM 0 H TRP A 40 -7.336 -8.103 -1.842 1.00 0.00 H new ATOM 0 HA TRP A 40 -8.068 -6.450 0.303 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -5.781 -6.023 -1.608 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -6.067 -5.116 -0.137 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -6.819 -8.453 1.017 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -4.737 -9.680 1.934 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -3.251 -5.317 -0.820 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -1.936 -9.293 1.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -0.885 -5.795 -0.355 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -0.232 -7.765 0.964 1.00 0.00 H new ATOM 631 N GLN A 41 -8.017 -5.088 -2.787 1.00 0.00 N ATOM 632 CA GLN A 41 -8.512 -3.865 -3.425 1.00 0.00 C ATOM 633 C GLN A 41 -10.030 -3.845 -3.506 1.00 0.00 C ATOM 634 O GLN A 41 -10.641 -2.752 -3.542 1.00 0.00 O ATOM 635 CB GLN A 41 -7.742 -3.389 -4.726 1.00 0.00 C ATOM 636 CG GLN A 41 -8.124 -3.984 -6.082 1.00 0.00 C ATOM 637 CD GLN A 41 -9.241 -3.197 -6.757 1.00 0.00 C ATOM 638 OE1 GLN A 41 -10.415 -3.471 -6.564 1.00 0.00 O ATOM 639 NE2 GLN A 41 -8.881 -2.215 -7.563 1.00 0.00 N ATOM 0 H GLN A 41 -7.483 -5.725 -3.378 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.241 -3.057 -2.745 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -7.859 -2.308 -4.798 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -6.681 -3.586 -4.569 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -7.248 -3.999 -6.731 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -8.439 -5.019 -5.948 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.892 -2.009 -7.705 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.592 -1.663 -8.043 1.00 0.00 H new ATOM 648 N GLY A 42 -10.643 -5.051 -3.446 1.00 0.00 N ATOM 649 CA GLY A 42 -12.066 -5.138 -3.295 1.00 0.00 C ATOM 650 C GLY A 42 -12.480 -4.491 -1.986 1.00 0.00 C ATOM 651 O GLY A 42 -13.243 -3.532 -1.986 1.00 0.00 O ATOM 0 H GLY A 42 -10.161 -5.948 -3.501 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.561 -4.642 -4.130 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.380 -6.182 -3.312 1.00 0.00 H new ATOM 655 N SER A 43 -11.904 -4.953 -0.872 1.00 0.00 N ATOM 656 CA SER A 43 -12.207 -4.364 0.429 1.00 0.00 C ATOM 657 C SER A 43 -11.667 -2.911 0.542 1.00 0.00 C ATOM 658 O SER A 43 -12.259 -2.071 1.220 1.00 0.00 O ATOM 659 CB SER A 43 -11.703 -5.263 1.578 1.00 0.00 C ATOM 660 OG SER A 43 -10.324 -5.580 1.435 1.00 0.00 O ATOM 0 H SER A 43 -11.235 -5.722 -0.847 1.00 0.00 H new ATOM 0 HA SER A 43 -13.291 -4.301 0.520 1.00 0.00 H new ATOM 0 HB2 SER A 43 -11.863 -4.759 2.531 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.287 -6.183 1.602 1.00 0.00 H new ATOM 0 HG SER A 43 -10.221 -6.304 0.783 1.00 0.00 H new ATOM 666 N LEU A 44 -10.573 -2.625 -0.177 1.00 0.00 N ATOM 667 CA LEU A 44 -9.964 -1.301 -0.213 1.00 0.00 C ATOM 668 C LEU A 44 -10.969 -0.278 -0.771 1.00 0.00 C ATOM 669 O LEU A 44 -11.024 0.869 -0.313 1.00 0.00 O ATOM 670 CB LEU A 44 -8.588 -1.264 -1.007 1.00 0.00 C ATOM 671 CG LEU A 44 -7.475 -2.264 -0.611 1.00 0.00 C ATOM 672 CD1 LEU A 44 -6.076 -1.949 -1.263 1.00 0.00 C ATOM 673 CD2 LEU A 44 -7.405 -2.433 0.892 1.00 0.00 C ATOM 0 H LEU A 44 -10.088 -3.314 -0.751 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.713 -1.031 0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.811 -1.419 -2.063 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.178 -0.258 -0.912 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.757 -3.228 -1.035 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -5.348 -2.692 -0.939 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -6.166 -1.979 -2.349 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.745 -0.958 -0.953 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.615 -3.141 1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.191 -1.471 1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.359 -2.809 1.261 1.00 0.00 H new ATOM 685 N PHE A 45 -11.797 -0.708 -1.733 1.00 0.00 N ATOM 686 CA PHE A 45 -12.841 0.162 -2.256 1.00 0.00 C ATOM 687 C PHE A 45 -14.136 -0.034 -1.468 1.00 0.00 C ATOM 688 O PHE A 45 -14.944 0.884 -1.349 1.00 0.00 O ATOM 689 CB PHE A 45 -13.075 -0.105 -3.746 1.00 0.00 C ATOM 690 CG PHE A 45 -14.122 0.763 -4.395 1.00 0.00 C ATOM 691 CD1 PHE A 45 -13.849 2.086 -4.700 1.00 0.00 C ATOM 692 CD2 PHE A 45 -15.378 0.256 -4.693 1.00 0.00 C ATOM 693 CE1 PHE A 45 -14.806 2.887 -5.292 1.00 0.00 C ATOM 694 CE2 PHE A 45 -16.339 1.052 -5.283 1.00 0.00 C ATOM 695 CZ PHE A 45 -16.054 2.370 -5.583 1.00 0.00 C ATOM 0 H PHE A 45 -11.761 -1.636 -2.154 1.00 0.00 H new ATOM 0 HA PHE A 45 -12.516 1.196 -2.143 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -12.132 0.032 -4.276 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -13.362 -1.149 -3.871 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -12.876 2.496 -4.472 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -15.607 -0.774 -4.461 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -14.579 3.916 -5.527 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -17.313 0.645 -5.510 1.00 0.00 H new ATOM 0 HZ PHE A 45 -16.805 2.995 -6.044 1.00 0.00 H new ATOM 705 N ASN A 46 -14.312 -1.215 -0.902 1.00 0.00 N ATOM 706 CA ASN A 46 -15.515 -1.545 -0.133 1.00 0.00 C ATOM 707 C ASN A 46 -15.594 -0.720 1.156 1.00 0.00 C ATOM 708 O ASN A 46 -16.683 -0.408 1.641 1.00 0.00 O ATOM 709 CB ASN A 46 -15.593 -3.067 0.146 1.00 0.00 C ATOM 710 CG ASN A 46 -16.856 -3.487 0.868 1.00 0.00 C ATOM 711 OD1 ASN A 46 -16.899 -3.545 2.103 1.00 0.00 O ATOM 712 ND2 ASN A 46 -17.883 -3.793 0.115 1.00 0.00 N ATOM 0 H ASN A 46 -13.633 -1.974 -0.958 1.00 0.00 H new ATOM 0 HA ASN A 46 -16.385 -1.280 -0.734 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -15.529 -3.605 -0.800 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -14.729 -3.364 0.740 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -18.759 -4.092 0.544 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -17.807 -3.732 -0.900 1.00 0.00 H new ATOM 719 N ALA A 47 -14.433 -0.341 1.687 1.00 0.00 N ATOM 720 CA ALA A 47 -14.363 0.516 2.861 1.00 0.00 C ATOM 721 C ALA A 47 -14.223 1.979 2.428 1.00 0.00 C ATOM 722 O ALA A 47 -14.199 2.897 3.252 1.00 0.00 O ATOM 723 CB ALA A 47 -13.207 0.104 3.749 1.00 0.00 C ATOM 0 H ALA A 47 -13.524 -0.618 1.317 1.00 0.00 H new ATOM 0 HA ALA A 47 -15.283 0.409 3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.169 0.755 4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -13.346 -0.928 4.071 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -12.273 0.188 3.193 1.00 0.00 H new ATOM 729 N ASN A 48 -14.121 2.160 1.113 1.00 0.00 N ATOM 730 CA ASN A 48 -14.048 3.466 0.438 1.00 0.00 C ATOM 731 C ASN A 48 -12.884 4.348 0.963 1.00 0.00 C ATOM 732 O ASN A 48 -13.054 5.546 1.204 1.00 0.00 O ATOM 733 CB ASN A 48 -15.399 4.214 0.588 1.00 0.00 C ATOM 734 CG ASN A 48 -15.492 5.443 -0.311 1.00 0.00 C ATOM 735 OD1 ASN A 48 -14.911 5.477 -1.403 1.00 0.00 O ATOM 736 ND2 ASN A 48 -16.202 6.452 0.126 1.00 0.00 N ATOM 0 H ASN A 48 -14.085 1.377 0.460 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.847 3.274 -0.616 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.216 3.532 0.351 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.529 4.518 1.627 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -16.288 7.297 -0.438 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -16.669 6.393 1.031 1.00 0.00 H new ATOM 743 N TYR A 49 -11.694 3.775 1.154 1.00 0.00 N ATOM 744 CA TYR A 49 -10.557 4.602 1.625 1.00 0.00 C ATOM 745 C TYR A 49 -10.003 5.721 0.629 1.00 0.00 C ATOM 746 O TYR A 49 -9.023 6.378 0.954 1.00 0.00 O ATOM 747 CB TYR A 49 -9.428 3.716 2.105 1.00 0.00 C ATOM 748 CG TYR A 49 -9.573 3.146 3.461 1.00 0.00 C ATOM 749 CD1 TYR A 49 -9.750 3.948 4.565 1.00 0.00 C ATOM 750 CD2 TYR A 49 -9.487 1.793 3.635 1.00 0.00 C ATOM 751 CE1 TYR A 49 -9.844 3.400 5.818 1.00 0.00 C ATOM 752 CE2 TYR A 49 -9.571 1.225 4.871 1.00 0.00 C ATOM 753 CZ TYR A 49 -9.748 2.027 5.972 1.00 0.00 C ATOM 754 OH TYR A 49 -9.840 1.455 7.233 1.00 0.00 O ATOM 0 H TYR A 49 -11.486 2.788 1.001 1.00 0.00 H new ATOM 0 HA TYR A 49 -10.984 5.182 2.443 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.315 2.894 1.399 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -8.504 4.293 2.074 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -9.815 5.019 4.443 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.349 1.159 2.772 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -9.992 4.035 6.679 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -9.499 0.153 4.984 1.00 0.00 H new ATOM 0 HH TYR A 49 -9.753 0.482 7.158 1.00 0.00 H new ATOM 764 N ASP A 50 -10.649 5.950 -0.526 1.00 0.00 N ATOM 765 CA ASP A 50 -10.241 6.944 -1.559 1.00 0.00 C ATOM 766 C ASP A 50 -8.836 6.695 -2.049 1.00 0.00 C ATOM 767 O ASP A 50 -7.875 7.386 -1.691 1.00 0.00 O ATOM 768 CB ASP A 50 -10.462 8.417 -1.158 1.00 0.00 C ATOM 769 CG ASP A 50 -10.150 9.370 -2.305 1.00 0.00 C ATOM 770 OD1 ASP A 50 -10.723 9.194 -3.406 1.00 0.00 O ATOM 771 OD2 ASP A 50 -9.355 10.329 -2.129 1.00 0.00 O ATOM 0 H ASP A 50 -11.494 5.440 -0.784 1.00 0.00 H new ATOM 0 HA ASP A 50 -10.924 6.781 -2.393 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.496 8.556 -0.841 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.831 8.659 -0.303 1.00 0.00 H new ATOM 776 N VAL A 51 -8.726 5.629 -2.782 1.00 0.00 N ATOM 777 CA VAL A 51 -7.484 5.114 -3.289 1.00 0.00 C ATOM 778 C VAL A 51 -7.711 4.455 -4.618 1.00 0.00 C ATOM 779 O VAL A 51 -8.842 4.206 -5.010 1.00 0.00 O ATOM 780 CB VAL A 51 -6.910 4.032 -2.347 1.00 0.00 C ATOM 781 CG1 VAL A 51 -6.055 4.600 -1.258 1.00 0.00 C ATOM 782 CG2 VAL A 51 -8.038 3.284 -1.728 1.00 0.00 C ATOM 0 H VAL A 51 -9.532 5.068 -3.057 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.792 5.952 -3.372 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.279 3.379 -2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.681 3.791 -0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.214 5.136 -1.698 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.646 5.287 -0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.644 2.517 -1.061 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.663 3.973 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.635 2.813 -2.509 1.00 0.00 H new ATOM 792 N GLN A 52 -6.643 4.113 -5.258 1.00 0.00 N ATOM 793 CA GLN A 52 -6.678 3.348 -6.490 1.00 0.00 C ATOM 794 C GLN A 52 -5.677 2.245 -6.350 1.00 0.00 C ATOM 795 O GLN A 52 -4.564 2.473 -5.945 1.00 0.00 O ATOM 796 CB GLN A 52 -6.477 4.202 -7.768 1.00 0.00 C ATOM 797 CG GLN A 52 -5.404 5.297 -7.726 1.00 0.00 C ATOM 798 CD GLN A 52 -5.891 6.616 -7.103 1.00 0.00 C ATOM 799 OE1 GLN A 52 -6.442 7.471 -7.803 1.00 0.00 O ATOM 800 NE2 GLN A 52 -5.669 6.820 -5.825 1.00 0.00 N ATOM 0 H GLN A 52 -5.702 4.353 -4.948 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.676 2.934 -6.634 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -6.237 3.527 -8.589 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.429 4.673 -8.011 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -4.547 4.932 -7.159 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.056 5.491 -8.740 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.212 6.100 -5.265 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.953 7.699 -5.392 1.00 0.00 H new ATOM 809 N ARG A 53 -6.100 1.041 -6.570 1.00 0.00 N ATOM 810 CA ARG A 53 -5.267 -0.097 -6.244 1.00 0.00 C ATOM 811 C ARG A 53 -5.259 -1.015 -7.419 1.00 0.00 C ATOM 812 O ARG A 53 -6.310 -1.299 -7.982 1.00 0.00 O ATOM 813 CB ARG A 53 -5.743 -0.827 -4.960 1.00 0.00 C ATOM 814 CG ARG A 53 -5.994 0.047 -3.731 1.00 0.00 C ATOM 815 CD ARG A 53 -7.250 0.822 -3.866 1.00 0.00 C ATOM 816 NE ARG A 53 -8.432 -0.021 -4.115 1.00 0.00 N ATOM 817 CZ ARG A 53 -9.451 0.320 -4.929 1.00 0.00 C ATOM 818 NH1 ARG A 53 -9.570 1.560 -5.368 1.00 0.00 N ATOM 819 NH2 ARG A 53 -10.385 -0.561 -5.228 1.00 0.00 N ATOM 0 H ARG A 53 -7.009 0.810 -6.971 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.256 0.249 -6.030 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.664 -1.361 -5.193 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.997 -1.578 -4.698 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -6.046 -0.580 -2.841 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.156 0.730 -3.591 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.411 1.401 -2.957 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.142 1.535 -4.683 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.483 -0.922 -3.640 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.888 2.267 -5.091 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -10.344 1.811 -5.984 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.338 -1.504 -4.843 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -11.154 -0.299 -5.844 1.00 0.00 H new ATOM 833 N PHE A 54 -4.110 -1.485 -7.779 1.00 0.00 N ATOM 834 CA PHE A 54 -3.969 -2.120 -9.088 1.00 0.00 C ATOM 835 C PHE A 54 -3.214 -3.403 -9.101 1.00 0.00 C ATOM 836 O PHE A 54 -2.356 -3.663 -8.229 1.00 0.00 O ATOM 837 CB PHE A 54 -3.342 -1.176 -10.124 1.00 0.00 C ATOM 838 CG PHE A 54 -4.218 -0.052 -10.573 1.00 0.00 C ATOM 839 CD1 PHE A 54 -5.173 -0.260 -11.548 1.00 0.00 C ATOM 840 CD2 PHE A 54 -4.077 1.211 -10.041 1.00 0.00 C ATOM 841 CE1 PHE A 54 -5.971 0.769 -11.977 1.00 0.00 C ATOM 842 CE2 PHE A 54 -4.870 2.244 -10.463 1.00 0.00 C ATOM 843 CZ PHE A 54 -5.820 2.025 -11.435 1.00 0.00 C ATOM 0 H PHE A 54 -3.261 -1.453 -7.214 1.00 0.00 H new ATOM 0 HA PHE A 54 -4.999 -2.356 -9.355 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -2.428 -0.757 -9.704 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -3.053 -1.761 -10.997 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -5.293 -1.244 -11.977 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -3.331 1.389 -9.281 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -6.717 0.594 -12.739 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -4.751 3.228 -10.035 1.00 0.00 H new ATOM 0 HZ PHE A 54 -6.446 2.838 -11.772 1.00 0.00 H new ATOM 853 N ILE A 55 -3.560 -4.220 -10.082 1.00 0.00 N ATOM 854 CA ILE A 55 -2.782 -5.357 -10.442 1.00 0.00 C ATOM 855 C ILE A 55 -1.813 -4.842 -11.477 1.00 0.00 C ATOM 856 O ILE A 55 -2.152 -4.722 -12.657 1.00 0.00 O ATOM 857 CB ILE A 55 -3.613 -6.458 -11.147 1.00 0.00 C ATOM 858 CG1 ILE A 55 -4.831 -6.851 -10.327 1.00 0.00 C ATOM 859 CG2 ILE A 55 -2.736 -7.673 -11.432 1.00 0.00 C ATOM 860 CD1 ILE A 55 -5.664 -7.942 -10.947 1.00 0.00 C ATOM 0 H ILE A 55 -4.400 -4.097 -10.647 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.338 -5.790 -9.546 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.976 -6.055 -12.092 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.502 -7.176 -9.340 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.456 -5.970 -10.180 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -3.329 -8.442 -11.928 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.908 -7.381 -12.078 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.343 -8.066 -10.494 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -6.513 -8.164 -10.300 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.026 -7.614 -11.921 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.057 -8.839 -11.069 1.00 0.00 H new ATOM 872 N VAL A 56 -0.661 -4.491 -11.052 1.00 0.00 N ATOM 873 CA VAL A 56 0.314 -3.951 -11.932 1.00 0.00 C ATOM 874 C VAL A 56 1.265 -4.996 -12.412 1.00 0.00 C ATOM 875 O VAL A 56 1.744 -4.911 -13.550 1.00 0.00 O ATOM 876 CB VAL A 56 1.074 -2.762 -11.312 1.00 0.00 C ATOM 877 CG1 VAL A 56 0.144 -1.560 -11.187 1.00 0.00 C ATOM 878 CG2 VAL A 56 1.641 -3.147 -9.945 1.00 0.00 C ATOM 0 H VAL A 56 -0.361 -4.568 -10.080 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.233 -3.570 -12.795 1.00 0.00 H new ATOM 0 HB VAL A 56 1.906 -2.495 -11.964 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.688 -0.723 -10.748 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.221 -1.278 -12.175 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.701 -1.818 -10.549 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.175 -2.297 -9.520 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.826 -3.433 -9.280 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.327 -3.986 -10.059 1.00 0.00 H new ATOM 888 N GLY A 57 1.542 -6.007 -11.595 1.00 0.00 N ATOM 889 CA GLY A 57 2.442 -6.970 -12.077 1.00 0.00 C ATOM 890 C GLY A 57 2.518 -8.237 -11.331 1.00 0.00 C ATOM 891 O GLY A 57 3.552 -8.471 -10.732 1.00 0.00 O ATOM 0 H GLY A 57 1.168 -6.153 -10.657 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.175 -7.198 -13.109 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.437 -6.526 -12.096 1.00 0.00 H new ATOM 895 N SER A 58 1.386 -9.007 -11.294 1.00 0.00 N ATOM 896 CA SER A 58 1.361 -10.454 -10.934 1.00 0.00 C ATOM 897 C SER A 58 2.600 -10.884 -10.123 1.00 0.00 C ATOM 898 O SER A 58 3.610 -11.247 -10.745 1.00 0.00 O ATOM 899 CB SER A 58 1.452 -11.091 -12.293 1.00 0.00 C ATOM 900 OG SER A 58 0.484 -10.519 -13.158 1.00 0.00 O ATOM 0 H SER A 58 0.463 -8.634 -11.515 1.00 0.00 H new ATOM 0 HA SER A 58 0.496 -10.717 -10.326 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.451 -10.948 -12.705 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.291 -12.166 -12.212 1.00 0.00 H new ATOM 0 HG SER A 58 0.020 -11.231 -13.646 1.00 0.00 H new ATOM 906 N ASP A 59 2.527 -10.766 -8.760 1.00 0.00 N ATOM 907 CA ASP A 59 3.598 -10.986 -7.771 1.00 0.00 C ATOM 908 C ASP A 59 3.971 -9.574 -7.184 1.00 0.00 C ATOM 909 O ASP A 59 4.586 -9.433 -6.133 1.00 0.00 O ATOM 910 CB ASP A 59 4.817 -11.799 -8.312 1.00 0.00 C ATOM 911 CG ASP A 59 6.137 -11.541 -7.637 1.00 0.00 C ATOM 912 OD1 ASP A 59 6.478 -12.215 -6.653 1.00 0.00 O ATOM 913 OD2 ASP A 59 6.900 -10.725 -8.157 1.00 0.00 O ATOM 0 H ASP A 59 1.654 -10.496 -8.308 1.00 0.00 H new ATOM 0 HA ASP A 59 3.238 -11.637 -6.974 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.588 -12.861 -8.223 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.928 -11.585 -9.375 1.00 0.00 H new ATOM 918 N ARG A 60 3.519 -8.529 -7.929 1.00 0.00 N ATOM 919 CA ARG A 60 3.540 -7.093 -7.533 1.00 0.00 C ATOM 920 C ARG A 60 2.089 -6.485 -7.649 1.00 0.00 C ATOM 921 O ARG A 60 1.418 -6.639 -8.698 1.00 0.00 O ATOM 922 CB ARG A 60 4.500 -6.255 -8.408 1.00 0.00 C ATOM 923 CG ARG A 60 5.967 -6.167 -7.959 1.00 0.00 C ATOM 924 CD ARG A 60 6.792 -7.446 -8.120 1.00 0.00 C ATOM 925 NE ARG A 60 8.209 -7.164 -7.772 1.00 0.00 N ATOM 926 CZ ARG A 60 9.241 -8.026 -7.791 1.00 0.00 C ATOM 927 NH1 ARG A 60 9.045 -9.310 -7.978 1.00 0.00 N ATOM 928 NH2 ARG A 60 10.480 -7.582 -7.563 1.00 0.00 N ATOM 0 H ARG A 60 3.115 -8.668 -8.855 1.00 0.00 H new ATOM 0 HA ARG A 60 3.896 -7.052 -6.504 1.00 0.00 H new ATOM 0 HB2 ARG A 60 4.480 -6.665 -9.418 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.104 -5.241 -8.467 1.00 0.00 H new ATOM 0 HG2 ARG A 60 6.453 -5.371 -8.523 1.00 0.00 H new ATOM 0 HG3 ARG A 60 5.989 -5.873 -6.910 1.00 0.00 H new ATOM 0 HD2 ARG A 60 6.397 -8.231 -7.475 1.00 0.00 H new ATOM 0 HD3 ARG A 60 6.723 -7.810 -9.145 1.00 0.00 H new ATOM 0 HE ARG A 60 8.423 -6.208 -7.486 1.00 0.00 H new ATOM 0 HH11 ARG A 60 8.099 -9.667 -8.112 1.00 0.00 H new ATOM 0 HH12 ARG A 60 9.839 -9.951 -7.990 1.00 0.00 H new ATOM 0 HH21 ARG A 60 10.641 -6.592 -7.375 1.00 0.00 H new ATOM 0 HH22 ARG A 60 11.265 -8.233 -7.577 1.00 0.00 H new ATOM 942 N ALA A 61 1.667 -5.727 -6.624 1.00 0.00 N ATOM 943 CA ALA A 61 0.274 -5.213 -6.451 1.00 0.00 C ATOM 944 C ALA A 61 0.357 -3.748 -6.024 1.00 0.00 C ATOM 945 O ALA A 61 1.474 -3.289 -5.764 1.00 0.00 O ATOM 946 CB ALA A 61 -0.414 -6.015 -5.344 1.00 0.00 C ATOM 0 H ALA A 61 2.290 -5.441 -5.868 1.00 0.00 H new ATOM 0 HA ALA A 61 -0.288 -5.308 -7.380 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.432 -5.649 -5.208 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -0.441 -7.069 -5.621 1.00 0.00 H new ATOM 0 HB3 ALA A 61 0.140 -5.899 -4.413 1.00 0.00 H new ATOM 952 N ILE A 62 -0.758 -2.948 -5.997 1.00 0.00 N ATOM 953 CA ILE A 62 -0.600 -1.612 -5.444 1.00 0.00 C ATOM 954 C ILE A 62 -1.776 -1.208 -4.657 1.00 0.00 C ATOM 955 O ILE A 62 -2.912 -1.663 -4.949 1.00 0.00 O ATOM 956 CB ILE A 62 -0.423 -0.431 -6.487 1.00 0.00 C ATOM 957 CG1 ILE A 62 -1.775 0.279 -6.794 1.00 0.00 C ATOM 958 CG2 ILE A 62 0.216 -0.892 -7.756 1.00 0.00 C ATOM 959 CD1 ILE A 62 -1.633 1.513 -7.649 1.00 0.00 C ATOM 0 H ILE A 62 -1.690 -3.199 -6.328 1.00 0.00 H new ATOM 0 HA ILE A 62 0.316 -1.728 -4.865 1.00 0.00 H new ATOM 0 HB ILE A 62 0.244 0.292 -6.017 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -2.439 -0.425 -7.296 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.253 0.553 -5.853 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.317 -0.049 -8.440 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.202 -1.303 -7.539 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -0.404 -1.661 -8.217 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.616 1.952 -7.820 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -0.996 2.237 -7.141 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -1.185 1.243 -8.605 1.00 0.00 H new ATOM 971 N PHE A 63 -1.505 -0.279 -3.748 1.00 0.00 N ATOM 972 CA PHE A 63 -2.512 0.539 -3.135 1.00 0.00 C ATOM 973 C PHE A 63 -2.042 1.983 -3.176 1.00 0.00 C ATOM 974 O PHE A 63 -1.087 2.384 -2.503 1.00 0.00 O ATOM 975 CB PHE A 63 -3.071 0.067 -1.748 1.00 0.00 C ATOM 976 CG PHE A 63 -2.144 -0.047 -0.565 1.00 0.00 C ATOM 977 CD1 PHE A 63 -1.166 -1.023 -0.523 1.00 0.00 C ATOM 978 CD2 PHE A 63 -2.304 0.781 0.564 1.00 0.00 C ATOM 979 CE1 PHE A 63 -0.374 -1.171 0.593 1.00 0.00 C ATOM 980 CE2 PHE A 63 -1.508 0.625 1.645 1.00 0.00 C ATOM 981 CZ PHE A 63 -0.548 -0.345 1.669 1.00 0.00 C ATOM 0 H PHE A 63 -0.560 -0.080 -3.419 1.00 0.00 H new ATOM 0 HA PHE A 63 -3.418 0.429 -3.731 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.870 0.753 -1.469 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.528 -0.911 -1.898 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -1.022 -1.674 -1.372 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -3.067 1.545 0.565 1.00 0.00 H new ATOM 0 HE1 PHE A 63 0.385 -1.939 0.619 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.633 1.275 2.499 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.077 -0.461 2.542 1.00 0.00 H new ATOM 991 N MET A 64 -2.623 2.721 -4.082 1.00 0.00 N ATOM 992 CA MET A 64 -2.230 4.118 -4.301 1.00 0.00 C ATOM 993 C MET A 64 -3.058 5.063 -3.452 1.00 0.00 C ATOM 994 O MET A 64 -4.273 5.270 -3.730 1.00 0.00 O ATOM 995 CB MET A 64 -2.320 4.496 -5.784 1.00 0.00 C ATOM 996 CG MET A 64 -1.813 5.887 -6.137 1.00 0.00 C ATOM 997 SD MET A 64 -2.007 6.228 -7.895 1.00 0.00 S ATOM 998 CE MET A 64 -1.392 7.901 -7.981 1.00 0.00 C ATOM 0 H MET A 64 -3.373 2.393 -4.690 1.00 0.00 H new ATOM 0 HA MET A 64 -1.189 4.216 -3.993 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.755 3.765 -6.362 1.00 0.00 H new ATOM 0 HB3 MET A 64 -3.361 4.417 -6.099 1.00 0.00 H new ATOM 0 HG2 MET A 64 -2.357 6.633 -5.558 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.762 5.974 -5.861 1.00 0.00 H new ATOM 0 HE1 MET A 64 -1.179 8.157 -9.019 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.142 8.585 -7.585 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.479 7.984 -7.392 1.00 0.00 H new ATOM 1008 N LEU A 65 -2.365 5.617 -2.447 1.00 0.00 N ATOM 1009 CA LEU A 65 -2.854 6.534 -1.411 1.00 0.00 C ATOM 1010 C LEU A 65 -3.254 7.845 -1.947 1.00 0.00 C ATOM 1011 O LEU A 65 -2.572 8.403 -2.835 1.00 0.00 O ATOM 1012 CB LEU A 65 -1.761 6.962 -0.435 1.00 0.00 C ATOM 1013 CG LEU A 65 -1.129 6.023 0.525 1.00 0.00 C ATOM 1014 CD1 LEU A 65 -0.254 4.984 -0.167 1.00 0.00 C ATOM 1015 CD2 LEU A 65 -0.333 6.861 1.533 1.00 0.00 C ATOM 0 H LEU A 65 -1.371 5.419 -2.330 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.666 5.963 -0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.954 7.381 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.175 7.779 0.156 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.900 5.448 1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.185 4.322 0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.861 4.399 -0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.541 5.487 -0.718 1.00 0.00 H new ATOM 0 HD21 LEU A 65 0.147 6.201 2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.428 7.437 1.007 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.007 7.541 2.054 1.00 0.00 H new ATOM 1027 N ARG A 66 -4.273 8.380 -1.343 1.00 0.00 N ATOM 1028 CA ARG A 66 -4.648 9.766 -1.583 1.00 0.00 C ATOM 1029 C ARG A 66 -4.687 10.695 -0.311 1.00 0.00 C ATOM 1030 O ARG A 66 -4.028 11.727 -0.332 1.00 0.00 O ATOM 1031 CB ARG A 66 -5.810 9.953 -2.578 1.00 0.00 C ATOM 1032 CG ARG A 66 -6.071 11.414 -2.922 1.00 0.00 C ATOM 1033 CD ARG A 66 -6.705 11.581 -4.297 1.00 0.00 C ATOM 1034 NE ARG A 66 -8.037 10.989 -4.425 1.00 0.00 N ATOM 1035 CZ ARG A 66 -8.795 11.043 -5.545 1.00 0.00 C ATOM 1036 NH1 ARG A 66 -8.372 11.703 -6.619 1.00 0.00 N ATOM 1037 NH2 ARG A 66 -9.982 10.478 -5.561 1.00 0.00 N ATOM 0 H ARG A 66 -4.868 7.887 -0.677 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.788 10.164 -2.122 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -5.589 9.404 -3.493 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.716 9.518 -2.156 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.725 11.851 -2.168 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.132 11.966 -2.888 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.770 12.645 -4.527 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.049 11.133 -5.043 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.421 10.502 -3.615 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -7.468 12.175 -6.604 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -8.952 11.737 -7.458 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.330 10.000 -4.730 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.554 10.518 -6.404 1.00 0.00 H new ATOM 1051 N ASP A 67 -5.428 10.344 0.793 1.00 0.00 N ATOM 1052 CA ASP A 67 -5.461 11.171 2.076 1.00 0.00 C ATOM 1053 C ASP A 67 -4.048 11.496 2.740 1.00 0.00 C ATOM 1054 O ASP A 67 -4.004 12.054 3.818 1.00 0.00 O ATOM 1055 CB ASP A 67 -6.316 10.436 3.140 1.00 0.00 C ATOM 1056 CG ASP A 67 -6.719 11.302 4.335 1.00 0.00 C ATOM 1057 OD1 ASP A 67 -7.630 12.154 4.210 1.00 0.00 O ATOM 1058 OD2 ASP A 67 -6.162 11.118 5.444 1.00 0.00 O ATOM 0 H ASP A 67 -6.008 9.506 0.832 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.881 12.128 1.767 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -7.219 10.054 2.663 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.758 9.573 3.504 1.00 0.00 H new ATOM 1063 N GLY A 68 -2.926 11.178 2.095 1.00 0.00 N ATOM 1064 CA GLY A 68 -1.590 11.403 2.657 1.00 0.00 C ATOM 1065 C GLY A 68 -1.228 10.593 3.951 1.00 0.00 C ATOM 1066 O GLY A 68 -0.081 10.171 4.121 1.00 0.00 O ATOM 0 H GLY A 68 -2.915 10.756 1.166 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.853 11.167 1.889 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.488 12.465 2.880 1.00 0.00 H new ATOM 1070 N SER A 69 -2.196 10.305 4.793 1.00 0.00 N ATOM 1071 CA SER A 69 -1.936 9.728 6.116 1.00 0.00 C ATOM 1072 C SER A 69 -2.909 8.535 6.466 1.00 0.00 C ATOM 1073 O SER A 69 -3.970 8.806 7.042 1.00 0.00 O ATOM 1074 CB SER A 69 -2.162 10.859 7.164 1.00 0.00 C ATOM 1075 OG SER A 69 -1.844 10.467 8.496 1.00 0.00 O ATOM 0 H SER A 69 -3.184 10.459 4.592 1.00 0.00 H new ATOM 0 HA SER A 69 -0.920 9.334 6.125 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.555 11.723 6.892 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.204 11.177 7.126 1.00 0.00 H new ATOM 0 HG SER A 69 -2.005 11.218 9.105 1.00 0.00 H new ATOM 1081 N TYR A 70 -2.588 7.220 6.074 1.00 0.00 N ATOM 1082 CA TYR A 70 -3.458 6.053 6.419 1.00 0.00 C ATOM 1083 C TYR A 70 -2.990 4.733 5.773 1.00 0.00 C ATOM 1084 O TYR A 70 -3.589 3.675 6.008 1.00 0.00 O ATOM 1085 CB TYR A 70 -4.923 6.295 5.987 1.00 0.00 C ATOM 1086 CG TYR A 70 -5.174 6.454 4.487 1.00 0.00 C ATOM 1087 CD1 TYR A 70 -4.374 7.248 3.683 1.00 0.00 C ATOM 1088 CD2 TYR A 70 -6.247 5.842 3.913 1.00 0.00 C ATOM 1089 CE1 TYR A 70 -4.643 7.426 2.357 1.00 0.00 C ATOM 1090 CE2 TYR A 70 -6.531 5.993 2.573 1.00 0.00 C ATOM 1091 CZ TYR A 70 -5.712 6.803 1.800 1.00 0.00 C ATOM 1092 OH TYR A 70 -5.981 7.016 0.474 1.00 0.00 O ATOM 0 H TYR A 70 -1.755 6.976 5.538 1.00 0.00 H new ATOM 0 HA TYR A 70 -3.385 5.959 7.502 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.527 5.463 6.348 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.283 7.192 6.490 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -3.515 7.739 4.116 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -6.890 5.224 4.522 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -4.009 8.059 1.754 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -7.378 5.489 2.132 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.951 7.067 0.341 1.00 0.00 H new ATOM 1102 N ALA A 71 -1.924 4.764 5.002 1.00 0.00 N ATOM 1103 CA ALA A 71 -1.585 3.607 4.197 1.00 0.00 C ATOM 1104 C ALA A 71 -0.704 2.568 4.883 1.00 0.00 C ATOM 1105 O ALA A 71 -0.798 1.397 4.582 1.00 0.00 O ATOM 1106 CB ALA A 71 -0.925 4.012 2.946 1.00 0.00 C ATOM 0 H ALA A 71 -1.289 5.558 4.915 1.00 0.00 H new ATOM 0 HA ALA A 71 -2.547 3.131 4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -0.681 3.126 2.360 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -1.594 4.653 2.373 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.010 4.557 3.177 1.00 0.00 H new ATOM 1112 N TRP A 72 0.139 2.964 5.796 1.00 0.00 N ATOM 1113 CA TRP A 72 1.038 1.999 6.403 1.00 0.00 C ATOM 1114 C TRP A 72 0.310 1.192 7.457 1.00 0.00 C ATOM 1115 O TRP A 72 0.750 0.106 7.868 1.00 0.00 O ATOM 1116 CB TRP A 72 2.385 2.611 6.843 1.00 0.00 C ATOM 1117 CG TRP A 72 3.277 2.930 5.646 1.00 0.00 C ATOM 1118 CD1 TRP A 72 4.245 2.134 5.113 1.00 0.00 C ATOM 1119 CD2 TRP A 72 3.250 4.109 4.831 1.00 0.00 C ATOM 1120 NE1 TRP A 72 4.808 2.741 4.007 1.00 0.00 N ATOM 1121 CE2 TRP A 72 4.209 3.955 3.801 1.00 0.00 C ATOM 1122 CE3 TRP A 72 2.512 5.260 4.868 1.00 0.00 C ATOM 1123 CZ2 TRP A 72 4.408 4.952 2.799 1.00 0.00 C ATOM 1124 CZ3 TRP A 72 2.725 6.222 3.911 1.00 0.00 C ATOM 1125 CH2 TRP A 72 3.659 6.040 2.899 1.00 0.00 C ATOM 0 H TRP A 72 0.229 3.922 6.135 1.00 0.00 H new ATOM 0 HA TRP A 72 1.346 1.284 5.640 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.202 3.521 7.414 1.00 0.00 H new ATOM 0 HB3 TRP A 72 2.901 1.917 7.507 1.00 0.00 H new ATOM 0 HD1 TRP A 72 4.531 1.167 5.499 1.00 0.00 H new ATOM 0 HE1 TRP A 72 5.553 2.346 3.433 1.00 0.00 H new ATOM 0 HE3 TRP A 72 1.771 5.410 5.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 5.128 4.826 2.004 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 2.155 7.139 3.946 1.00 0.00 H new ATOM 0 HH2 TRP A 72 3.780 6.820 2.161 1.00 0.00 H new ATOM 1136 N GLU A 73 -0.847 1.709 7.835 1.00 0.00 N ATOM 1137 CA GLU A 73 -1.805 0.978 8.626 1.00 0.00 C ATOM 1138 C GLU A 73 -2.337 -0.166 7.740 1.00 0.00 C ATOM 1139 O GLU A 73 -2.424 -1.356 8.163 1.00 0.00 O ATOM 1140 CB GLU A 73 -2.946 1.911 9.007 1.00 0.00 C ATOM 1141 CG GLU A 73 -4.049 1.254 9.794 1.00 0.00 C ATOM 1142 CD GLU A 73 -5.179 2.192 10.053 1.00 0.00 C ATOM 1143 OE1 GLU A 73 -6.063 2.326 9.197 1.00 0.00 O ATOM 1144 OE2 GLU A 73 -5.204 2.825 11.120 1.00 0.00 O ATOM 0 H GLU A 73 -1.144 2.655 7.597 1.00 0.00 H new ATOM 0 HA GLU A 73 -1.356 0.583 9.538 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.543 2.739 9.590 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -3.369 2.338 8.098 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -4.416 0.384 9.249 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -3.653 0.892 10.743 1.00 0.00 H new ATOM 1151 N ILE A 74 -2.635 0.198 6.475 1.00 0.00 N ATOM 1152 CA ILE A 74 -3.056 -0.755 5.472 1.00 0.00 C ATOM 1153 C ILE A 74 -1.935 -1.822 5.278 1.00 0.00 C ATOM 1154 O ILE A 74 -2.202 -3.028 5.171 1.00 0.00 O ATOM 1155 CB ILE A 74 -3.425 -0.093 4.073 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -4.627 0.866 4.129 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -3.738 -1.178 3.093 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -4.836 1.707 2.885 1.00 0.00 C ATOM 0 H ILE A 74 -2.585 1.160 6.139 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.973 -1.216 5.838 1.00 0.00 H new ATOM 0 HB ILE A 74 -2.559 0.499 3.776 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.530 0.283 4.310 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.501 1.532 4.982 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.993 -0.736 2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.869 -1.825 2.977 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.581 -1.765 3.457 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -5.706 2.349 3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.954 2.323 2.710 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -4.998 1.054 2.027 1.00 0.00 H new ATOM 1170 N LYS A 75 -0.675 -1.360 5.322 1.00 0.00 N ATOM 1171 CA LYS A 75 0.489 -2.214 5.164 1.00 0.00 C ATOM 1172 C LYS A 75 0.586 -3.209 6.323 1.00 0.00 C ATOM 1173 O LYS A 75 0.938 -4.386 6.133 1.00 0.00 O ATOM 1174 CB LYS A 75 1.766 -1.339 4.976 1.00 0.00 C ATOM 1175 CG LYS A 75 3.114 -2.073 4.920 1.00 0.00 C ATOM 1176 CD LYS A 75 3.683 -2.321 6.312 1.00 0.00 C ATOM 1177 CE LYS A 75 5.007 -3.054 6.258 1.00 0.00 C ATOM 1178 NZ LYS A 75 5.623 -3.161 7.594 1.00 0.00 N ATOM 0 H LYS A 75 -0.446 -0.377 5.469 1.00 0.00 H new ATOM 0 HA LYS A 75 0.391 -2.818 4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.653 -0.769 4.054 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.806 -0.619 5.793 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.988 -3.025 4.404 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.823 -1.486 4.337 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.816 -1.368 6.825 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.970 -2.902 6.898 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.855 -4.052 5.846 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.686 -2.531 5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.528 -3.668 7.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.791 -2.208 7.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.985 -3.682 8.230 1.00 0.00 H new ATOM 1192 N ASP A 76 0.251 -2.757 7.504 1.00 0.00 N ATOM 1193 CA ASP A 76 0.214 -3.647 8.646 1.00 0.00 C ATOM 1194 C ASP A 76 -0.824 -4.750 8.427 1.00 0.00 C ATOM 1195 O ASP A 76 -0.510 -5.956 8.624 1.00 0.00 O ATOM 1196 CB ASP A 76 -0.054 -2.893 9.937 1.00 0.00 C ATOM 1197 CG ASP A 76 -0.173 -3.813 11.130 1.00 0.00 C ATOM 1198 OD1 ASP A 76 0.854 -4.363 11.580 1.00 0.00 O ATOM 1199 OD2 ASP A 76 -1.301 -3.999 11.633 1.00 0.00 O ATOM 0 H ASP A 76 0.001 -1.788 7.704 1.00 0.00 H new ATOM 0 HA ASP A 76 1.196 -4.109 8.743 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.751 -2.180 10.111 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.973 -2.317 9.833 1.00 0.00 H new ATOM 1204 N PHE A 77 -2.038 -4.363 7.932 1.00 0.00 N ATOM 1205 CA PHE A 77 -3.094 -5.379 7.677 1.00 0.00 C ATOM 1206 C PHE A 77 -2.559 -6.416 6.720 1.00 0.00 C ATOM 1207 O PHE A 77 -2.640 -7.594 6.952 1.00 0.00 O ATOM 1208 CB PHE A 77 -4.368 -4.839 6.992 1.00 0.00 C ATOM 1209 CG PHE A 77 -5.022 -3.616 7.563 1.00 0.00 C ATOM 1210 CD1 PHE A 77 -5.176 -3.448 8.925 1.00 0.00 C ATOM 1211 CD2 PHE A 77 -5.506 -2.631 6.709 1.00 0.00 C ATOM 1212 CE1 PHE A 77 -5.795 -2.320 9.431 1.00 0.00 C ATOM 1213 CE2 PHE A 77 -6.128 -1.505 7.210 1.00 0.00 C ATOM 1214 CZ PHE A 77 -6.270 -1.350 8.571 1.00 0.00 C ATOM 0 H PHE A 77 -2.298 -3.401 7.712 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.355 -5.756 8.666 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.121 -4.628 5.951 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.108 -5.640 6.988 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.809 -4.205 9.602 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -5.394 -2.748 5.641 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -5.907 -2.198 10.498 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.502 -0.748 6.537 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.753 -0.469 8.966 1.00 0.00 H new ATOM 1224 N LEU A 78 -1.967 -5.954 5.662 1.00 0.00 N ATOM 1225 CA LEU A 78 -1.525 -6.819 4.620 1.00 0.00 C ATOM 1226 C LEU A 78 -0.431 -7.829 5.052 1.00 0.00 C ATOM 1227 O LEU A 78 -0.532 -9.080 4.743 1.00 0.00 O ATOM 1228 CB LEU A 78 -1.185 -6.014 3.394 1.00 0.00 C ATOM 1229 CG LEU A 78 -0.057 -5.023 3.391 1.00 0.00 C ATOM 1230 CD1 LEU A 78 1.284 -5.702 3.270 1.00 0.00 C ATOM 1231 CD2 LEU A 78 -0.248 -4.181 2.237 1.00 0.00 C ATOM 0 H LEU A 78 -1.778 -4.965 5.499 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.355 -7.475 4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.982 -6.726 2.594 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.086 -5.468 3.114 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.063 -4.463 4.326 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.074 -4.951 3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.426 -6.379 4.112 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.323 -6.267 2.339 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.551 -3.441 2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.230 -4.791 1.334 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.210 -3.673 2.312 1.00 0.00 H new ATOM 1243 N VAL A 79 0.548 -7.354 5.856 1.00 0.00 N ATOM 1244 CA VAL A 79 1.601 -8.225 6.323 1.00 0.00 C ATOM 1245 C VAL A 79 1.077 -9.102 7.423 1.00 0.00 C ATOM 1246 O VAL A 79 1.706 -10.076 7.831 1.00 0.00 O ATOM 1247 CB VAL A 79 2.929 -7.491 6.730 1.00 0.00 C ATOM 1248 CG1 VAL A 79 3.535 -6.793 5.532 1.00 0.00 C ATOM 1249 CG2 VAL A 79 2.732 -6.502 7.852 1.00 0.00 C ATOM 0 H VAL A 79 0.614 -6.389 6.179 1.00 0.00 H new ATOM 0 HA VAL A 79 1.897 -8.842 5.475 1.00 0.00 H new ATOM 0 HB VAL A 79 3.610 -8.260 7.094 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.454 -6.289 5.831 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.759 -7.527 4.758 1.00 0.00 H new ATOM 0 HG13 VAL A 79 2.829 -6.059 5.143 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.684 -6.027 8.089 1.00 0.00 H new ATOM 0 HG22 VAL A 79 2.013 -5.742 7.545 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.356 -7.022 8.733 1.00 0.00 H new ATOM 1259 N SER A 80 -0.094 -8.751 7.890 1.00 0.00 N ATOM 1260 CA SER A 80 -0.796 -9.554 8.813 1.00 0.00 C ATOM 1261 C SER A 80 -1.943 -10.291 8.101 1.00 0.00 C ATOM 1262 O SER A 80 -2.697 -11.040 8.750 1.00 0.00 O ATOM 1263 CB SER A 80 -1.332 -8.688 9.945 1.00 0.00 C ATOM 1264 OG SER A 80 -0.274 -7.945 10.546 1.00 0.00 O ATOM 0 H SER A 80 -0.576 -7.891 7.628 1.00 0.00 H new ATOM 0 HA SER A 80 -0.119 -10.297 9.235 1.00 0.00 H new ATOM 0 HB2 SER A 80 -2.091 -8.007 9.562 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.815 -9.315 10.694 1.00 0.00 H new ATOM 0 HG SER A 80 -0.132 -7.115 10.045 1.00 0.00 H new ATOM 1270 N GLN A 81 -2.108 -10.089 6.757 1.00 0.00 N ATOM 1271 CA GLN A 81 -3.152 -10.749 6.089 1.00 0.00 C ATOM 1272 C GLN A 81 -2.626 -12.062 5.736 1.00 0.00 C ATOM 1273 O GLN A 81 -3.202 -13.084 6.133 1.00 0.00 O ATOM 1274 CB GLN A 81 -3.622 -9.970 4.853 1.00 0.00 C ATOM 1275 CG GLN A 81 -4.786 -10.618 4.117 1.00 0.00 C ATOM 1276 CD GLN A 81 -6.040 -10.768 4.963 1.00 0.00 C ATOM 1277 OE1 GLN A 81 -6.812 -11.704 4.776 1.00 0.00 O ATOM 1278 NE2 GLN A 81 -6.274 -9.853 5.870 1.00 0.00 N ATOM 0 H GLN A 81 -1.526 -9.485 6.177 1.00 0.00 H new ATOM 0 HA GLN A 81 -4.035 -10.834 6.722 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.913 -8.965 5.159 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.784 -9.863 4.164 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -5.023 -10.022 3.235 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -4.478 -11.602 3.764 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -5.614 -9.086 6.003 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -7.116 -9.907 6.443 1.00 0.00 H new ATOM 1287 N ASP A 82 -1.475 -12.040 5.058 1.00 0.00 N ATOM 1288 CA ASP A 82 -0.771 -13.285 4.706 1.00 0.00 C ATOM 1289 C ASP A 82 0.567 -13.063 4.003 1.00 0.00 C ATOM 1290 O ASP A 82 1.573 -12.827 4.694 1.00 0.00 O ATOM 1291 CB ASP A 82 -1.665 -14.400 4.062 1.00 0.00 C ATOM 1292 CG ASP A 82 -2.468 -13.955 2.863 1.00 0.00 C ATOM 1293 OD1 ASP A 82 -1.904 -13.793 1.794 1.00 0.00 O ATOM 1294 OD2 ASP A 82 -3.708 -13.821 2.972 1.00 0.00 O ATOM 0 H ASP A 82 -1.012 -11.187 4.743 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.507 -13.712 5.673 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.026 -15.232 3.765 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.350 -14.779 4.820 1.00 0.00 H new ATOM 1299 N ARG A 83 0.628 -13.060 2.677 1.00 0.00 N ATOM 1300 CA ARG A 83 1.918 -12.909 2.052 1.00 0.00 C ATOM 1301 C ARG A 83 2.228 -11.480 1.730 1.00 0.00 C ATOM 1302 O ARG A 83 1.405 -10.749 1.203 1.00 0.00 O ATOM 1303 CB ARG A 83 2.198 -13.902 0.923 1.00 0.00 C ATOM 1304 CG ARG A 83 2.426 -15.315 1.456 1.00 0.00 C ATOM 1305 CD ARG A 83 2.913 -16.297 0.398 1.00 0.00 C ATOM 1306 NE ARG A 83 1.908 -16.617 -0.620 1.00 0.00 N ATOM 1307 CZ ARG A 83 1.889 -17.736 -1.362 1.00 0.00 C ATOM 1308 NH1 ARG A 83 2.850 -18.639 -1.237 1.00 0.00 N ATOM 1309 NH2 ARG A 83 0.888 -17.954 -2.210 1.00 0.00 N ATOM 0 H ARG A 83 -0.167 -13.156 2.045 1.00 0.00 H new ATOM 0 HA ARG A 83 2.650 -13.200 2.805 1.00 0.00 H new ATOM 0 HB2 ARG A 83 1.360 -13.907 0.227 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.075 -13.578 0.363 1.00 0.00 H new ATOM 0 HG2 ARG A 83 3.155 -15.275 2.265 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.495 -15.687 1.884 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.793 -15.881 -0.092 1.00 0.00 H new ATOM 0 HD3 ARG A 83 3.226 -17.219 0.888 1.00 0.00 H new ATOM 0 HE ARG A 83 1.165 -15.936 -0.777 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.610 -18.486 -0.574 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.830 -19.487 -1.804 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.135 -17.271 -2.297 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.873 -18.804 -2.774 1.00 0.00 H new ATOM 1323 N CYS A 84 3.411 -11.084 2.112 1.00 0.00 N ATOM 1324 CA CYS A 84 3.820 -9.706 2.116 1.00 0.00 C ATOM 1325 C CYS A 84 5.361 -9.621 1.995 1.00 0.00 C ATOM 1326 O CYS A 84 6.039 -10.560 2.410 1.00 0.00 O ATOM 1327 CB CYS A 84 3.354 -9.202 3.465 1.00 0.00 C ATOM 1328 SG CYS A 84 3.771 -10.341 4.826 1.00 0.00 S ATOM 0 H CYS A 84 4.134 -11.725 2.437 1.00 0.00 H new ATOM 0 HA CYS A 84 3.409 -9.125 1.291 1.00 0.00 H new ATOM 0 HB2 CYS A 84 3.805 -8.229 3.660 1.00 0.00 H new ATOM 0 HB3 CYS A 84 2.274 -9.053 3.439 1.00 0.00 H new ATOM 0 HG CYS A 84 2.952 -11.350 4.814 1.00 0.00 H new ATOM 1334 N ALA A 85 5.923 -8.510 1.471 1.00 0.00 N ATOM 1335 CA ALA A 85 7.370 -8.432 1.234 1.00 0.00 C ATOM 1336 C ALA A 85 7.932 -7.012 1.113 1.00 0.00 C ATOM 1337 O ALA A 85 8.932 -6.707 1.765 1.00 0.00 O ATOM 1338 CB ALA A 85 7.813 -9.284 0.038 1.00 0.00 C ATOM 0 H ALA A 85 5.403 -7.672 1.210 1.00 0.00 H new ATOM 0 HA ALA A 85 7.801 -8.848 2.145 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.891 -9.192 -0.095 1.00 0.00 H new ATOM 0 HB2 ALA A 85 7.558 -10.328 0.220 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.306 -8.939 -0.863 1.00 0.00 H new ATOM 1344 N GLU A 86 7.347 -6.143 0.292 1.00 0.00 N ATOM 1345 CA GLU A 86 7.972 -4.855 0.054 1.00 0.00 C ATOM 1346 C GLU A 86 6.969 -3.802 -0.353 1.00 0.00 C ATOM 1347 O GLU A 86 6.215 -4.005 -1.269 1.00 0.00 O ATOM 1348 CB GLU A 86 9.054 -5.015 -1.025 1.00 0.00 C ATOM 1349 CG GLU A 86 9.691 -3.728 -1.510 1.00 0.00 C ATOM 1350 CD GLU A 86 10.797 -3.984 -2.472 1.00 0.00 C ATOM 1351 OE1 GLU A 86 10.521 -4.269 -3.653 1.00 0.00 O ATOM 1352 OE2 GLU A 86 11.978 -3.926 -2.056 1.00 0.00 O ATOM 0 H GLU A 86 6.470 -6.303 -0.203 1.00 0.00 H new ATOM 0 HA GLU A 86 8.423 -4.515 0.986 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.839 -5.663 -0.634 1.00 0.00 H new ATOM 0 HB3 GLU A 86 8.615 -5.527 -1.881 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.934 -3.105 -1.985 1.00 0.00 H new ATOM 0 HG3 GLU A 86 10.074 -3.169 -0.657 1.00 0.00 H new ATOM 1359 N VAL A 87 6.961 -2.694 0.323 1.00 0.00 N ATOM 1360 CA VAL A 87 6.134 -1.584 -0.076 1.00 0.00 C ATOM 1361 C VAL A 87 7.008 -0.439 -0.571 1.00 0.00 C ATOM 1362 O VAL A 87 7.681 0.228 0.215 1.00 0.00 O ATOM 1363 CB VAL A 87 5.160 -1.099 1.054 1.00 0.00 C ATOM 1364 CG1 VAL A 87 4.059 -2.110 1.267 1.00 0.00 C ATOM 1365 CG2 VAL A 87 5.889 -0.855 2.379 1.00 0.00 C ATOM 0 H VAL A 87 7.520 -2.529 1.160 1.00 0.00 H new ATOM 0 HA VAL A 87 5.497 -1.935 -0.888 1.00 0.00 H new ATOM 0 HB VAL A 87 4.735 -0.151 0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 87 3.391 -1.760 2.054 1.00 0.00 H new ATOM 0 HG12 VAL A 87 3.496 -2.235 0.342 1.00 0.00 H new ATOM 0 HG13 VAL A 87 4.494 -3.066 1.559 1.00 0.00 H new ATOM 0 HG21 VAL A 87 5.174 -0.521 3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.359 -1.780 2.711 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.653 -0.090 2.239 1.00 0.00 H new ATOM 1375 N THR A 88 7.079 -0.246 -1.865 1.00 0.00 N ATOM 1376 CA THR A 88 7.849 0.859 -2.336 1.00 0.00 C ATOM 1377 C THR A 88 6.999 2.008 -2.757 1.00 0.00 C ATOM 1378 O THR A 88 5.948 1.849 -3.414 1.00 0.00 O ATOM 1379 CB THR A 88 8.932 0.525 -3.333 1.00 0.00 C ATOM 1380 OG1 THR A 88 8.431 -0.300 -4.416 1.00 0.00 O ATOM 1381 CG2 THR A 88 10.057 -0.178 -2.638 1.00 0.00 C ATOM 0 H THR A 88 6.630 -0.818 -2.580 1.00 0.00 H new ATOM 0 HA THR A 88 8.411 1.180 -1.459 1.00 0.00 H new ATOM 0 HB THR A 88 9.289 1.460 -3.766 1.00 0.00 H new ATOM 0 HG1 THR A 88 7.473 -0.461 -4.288 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.837 -0.418 -3.360 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.467 0.469 -1.862 1.00 0.00 H new ATOM 0 HG23 THR A 88 9.687 -1.098 -2.185 1.00 0.00 H new ATOM 1389 N LEU A 89 7.437 3.148 -2.355 1.00 0.00 N ATOM 1390 CA LEU A 89 6.673 4.331 -2.406 1.00 0.00 C ATOM 1391 C LEU A 89 7.207 5.391 -3.282 1.00 0.00 C ATOM 1392 O LEU A 89 8.401 5.474 -3.603 1.00 0.00 O ATOM 1393 CB LEU A 89 6.292 4.858 -1.029 1.00 0.00 C ATOM 1394 CG LEU A 89 5.065 4.239 -0.366 1.00 0.00 C ATOM 1395 CD1 LEU A 89 3.864 4.544 -1.199 1.00 0.00 C ATOM 1396 CD2 LEU A 89 5.193 2.739 -0.185 1.00 0.00 C ATOM 0 H LEU A 89 8.372 3.281 -1.969 1.00 0.00 H new ATOM 0 HA LEU A 89 5.752 4.014 -2.894 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.144 4.716 -0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 89 6.127 5.932 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 89 4.969 4.672 0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.979 4.107 -0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 89 3.738 5.624 -1.274 1.00 0.00 H new ATOM 0 HD13 LEU A 89 3.997 4.124 -2.196 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.292 2.352 0.291 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.322 2.265 -1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 89 6.057 2.521 0.442 1.00 0.00 H new