USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 539 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 43 LYS NZ :NH3+ 160:sc= 0 (180deg=0) USER MOD Set 1.2: A 65 MET CE :methyl -158:sc= -0.687 (180deg=-1.45!) 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 22 ASN : amide:sc= -0.0121 X(o=-0.012,f=-0.044) USER MOD Single : A 24 SER OG : rot -151:sc= -0.036 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 GLN : amide:sc= -0.0451 X(o=-0.045,f=-0.23) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.547 K(o=-0.55,f=-1.2) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0769 USER MOD Single : A 67 GLN : amide:sc= -0.025 K(o=-0.025,f=-1.5) USER MOD Single : A 71 GLN : amide:sc= -6.56! K(o=-6.6!,f=-1.5) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot -160:sc= -10.2! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -2.95 K(o=-3,f=-5.1!) USER MOD Single : A 94 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0762) USER MOD ----------------------------------------------------------------- ATOM 167 N GLY A 15 -3.484 7.991 -5.793 1.00 0.00 N ATOM 168 CA GLY A 15 -3.422 8.170 -4.354 1.00 0.00 C ATOM 169 C GLY A 15 -3.629 6.872 -3.599 1.00 0.00 C ATOM 170 O GLY A 15 -4.438 6.805 -2.673 1.00 0.00 O ATOM 0 HA2 GLY A 15 -2.454 8.593 -4.085 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.181 8.890 -4.047 1.00 0.00 H new ATOM 174 N LYS A 16 -2.896 5.837 -3.995 1.00 0.00 N ATOM 175 CA LYS A 16 -3.002 4.533 -3.350 1.00 0.00 C ATOM 176 C LYS A 16 -1.641 4.061 -2.850 1.00 0.00 C ATOM 177 O LYS A 16 -0.708 3.881 -3.633 1.00 0.00 O ATOM 178 CB LYS A 16 -3.583 3.505 -4.324 1.00 0.00 C ATOM 179 CG LYS A 16 -4.582 4.094 -5.305 1.00 0.00 C ATOM 180 CD LYS A 16 -4.636 3.292 -6.595 1.00 0.00 C ATOM 181 CE LYS A 16 -5.336 4.064 -7.703 1.00 0.00 C ATOM 182 NZ LYS A 16 -4.380 4.887 -8.494 1.00 0.00 N ATOM 0 H LYS A 16 -2.222 5.876 -4.760 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.670 4.632 -2.494 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.768 3.044 -4.881 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.069 2.712 -3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.571 4.117 -4.848 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.310 5.126 -5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.624 3.039 -6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.159 2.352 -6.419 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.848 3.366 -8.365 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.099 4.710 -7.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.895 5.398 -9.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.910 5.571 -7.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.666 4.268 -8.929 1.00 0.00 H new ATOM 196 N THR A 17 -1.533 3.862 -1.540 1.00 0.00 N ATOM 197 CA THR A 17 -0.286 3.412 -0.935 1.00 0.00 C ATOM 198 C THR A 17 -0.546 2.379 0.156 1.00 0.00 C ATOM 199 O THR A 17 -1.666 2.252 0.651 1.00 0.00 O ATOM 200 CB THR A 17 0.504 4.589 -0.333 1.00 0.00 C ATOM 201 OG1 THR A 17 0.968 5.452 -1.378 1.00 0.00 O ATOM 202 CG2 THR A 17 1.688 4.087 0.479 1.00 0.00 C ATOM 0 H THR A 17 -2.295 4.006 -0.877 1.00 0.00 H new ATOM 0 HA THR A 17 0.304 2.957 -1.730 1.00 0.00 H new ATOM 0 HB THR A 17 -0.161 5.144 0.329 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.468 6.199 -0.988 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.231 4.936 0.894 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.330 3.453 1.290 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.353 3.511 -0.165 1.00 0.00 H new ATOM 210 N VAL A 18 0.496 1.641 0.527 1.00 0.00 N ATOM 211 CA VAL A 18 0.381 0.620 1.561 1.00 0.00 C ATOM 212 C VAL A 18 1.737 0.320 2.190 1.00 0.00 C ATOM 213 O VAL A 18 2.663 -0.125 1.512 1.00 0.00 O ATOM 214 CB VAL A 18 -0.212 -0.685 0.997 1.00 0.00 C ATOM 215 CG1 VAL A 18 -1.481 -0.399 0.210 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.812 -1.404 0.131 1.00 0.00 C ATOM 0 H VAL A 18 1.430 1.732 0.126 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.290 1.015 2.324 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.471 -1.337 1.832 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.885 -1.333 -0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.217 0.070 0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.252 0.272 -0.618 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.377 -2.324 -0.259 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.103 -0.760 -0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.691 -1.644 0.730 1.00 0.00 H new ATOM 226 N PHE A 19 1.847 0.565 3.491 1.00 0.00 N ATOM 227 CA PHE A 19 3.090 0.321 4.213 1.00 0.00 C ATOM 228 C PHE A 19 2.933 -0.840 5.190 1.00 0.00 C ATOM 229 O PHE A 19 2.043 -0.833 6.041 1.00 0.00 O ATOM 230 CB PHE A 19 3.523 1.581 4.966 1.00 0.00 C ATOM 231 CG PHE A 19 4.610 1.334 5.973 1.00 0.00 C ATOM 232 CD1 PHE A 19 4.333 0.688 7.166 1.00 0.00 C ATOM 233 CD2 PHE A 19 5.909 1.748 5.725 1.00 0.00 C ATOM 234 CE1 PHE A 19 5.331 0.460 8.095 1.00 0.00 C ATOM 235 CE2 PHE A 19 6.911 1.522 6.649 1.00 0.00 C ATOM 236 CZ PHE A 19 6.622 0.876 7.835 1.00 0.00 C ATOM 0 H PHE A 19 1.090 0.933 4.067 1.00 0.00 H new ATOM 0 HA PHE A 19 3.858 0.059 3.485 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.867 2.324 4.247 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.658 2.006 5.474 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.326 0.358 7.373 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.141 2.253 4.799 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.101 -0.043 9.023 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.919 1.850 6.444 1.00 0.00 H new ATOM 0 HZ PHE A 19 7.404 0.696 8.558 1.00 0.00 H new ATOM 246 N ILE A 20 3.802 -1.836 5.060 1.00 0.00 N ATOM 247 CA ILE A 20 3.761 -3.004 5.931 1.00 0.00 C ATOM 248 C ILE A 20 4.800 -2.899 7.042 1.00 0.00 C ATOM 249 O ILE A 20 5.969 -2.609 6.787 1.00 0.00 O ATOM 250 CB ILE A 20 4.001 -4.304 5.141 1.00 0.00 C ATOM 251 CG1 ILE A 20 3.255 -4.260 3.806 1.00 0.00 C ATOM 252 CG2 ILE A 20 3.562 -5.510 5.959 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.068 -3.660 2.680 1.00 0.00 C ATOM 0 H ILE A 20 4.543 -1.858 4.360 1.00 0.00 H new ATOM 0 HA ILE A 20 2.764 -3.034 6.371 1.00 0.00 H new ATOM 0 HB ILE A 20 5.068 -4.396 4.937 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.959 -5.272 3.531 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.339 -3.683 3.930 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.738 -6.421 5.387 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.133 -5.548 6.887 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.500 -5.426 6.190 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.477 -3.661 1.764 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.342 -2.636 2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.972 -4.250 2.529 1.00 0.00 H new ATOM 265 N ARG A 21 4.366 -3.138 8.275 1.00 0.00 N ATOM 266 CA ARG A 21 5.259 -3.070 9.426 1.00 0.00 C ATOM 267 C ARG A 21 5.565 -4.467 9.959 1.00 0.00 C ATOM 268 O ARG A 21 5.137 -5.468 9.387 1.00 0.00 O ATOM 269 CB ARG A 21 4.637 -2.215 10.532 1.00 0.00 C ATOM 270 CG ARG A 21 5.644 -1.351 11.272 1.00 0.00 C ATOM 271 CD ARG A 21 5.013 -0.057 11.763 1.00 0.00 C ATOM 272 NE ARG A 21 3.963 -0.300 12.748 1.00 0.00 N ATOM 273 CZ ARG A 21 3.304 0.669 13.373 1.00 0.00 C ATOM 274 NH1 ARG A 21 3.585 1.939 13.117 1.00 0.00 N ATOM 275 NH2 ARG A 21 2.360 0.369 14.257 1.00 0.00 N ATOM 0 H ARG A 21 3.402 -3.380 8.503 1.00 0.00 H new ATOM 0 HA ARG A 21 6.193 -2.610 9.103 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.871 -1.573 10.096 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.137 -2.868 11.247 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.047 -1.905 12.120 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.482 -1.122 10.614 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.783 0.578 12.202 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.596 0.488 10.916 1.00 0.00 H new ATOM 0 HE ARG A 21 3.723 -1.267 12.968 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.309 2.174 12.438 1.00 0.00 H new ATOM 0 HH12 ARG A 21 3.077 2.681 13.599 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.140 -0.607 14.457 1.00 0.00 H new ATOM 0 HH22 ARG A 21 1.855 1.114 14.736 1.00 0.00 H new ATOM 289 N ASN A 22 6.309 -4.525 11.059 1.00 0.00 N ATOM 290 CA ASN A 22 6.673 -5.798 11.669 1.00 0.00 C ATOM 291 C ASN A 22 6.876 -6.873 10.605 1.00 0.00 C ATOM 292 O ASN A 22 6.254 -7.935 10.654 1.00 0.00 O ATOM 293 CB ASN A 22 5.594 -6.241 12.659 1.00 0.00 C ATOM 294 CG ASN A 22 6.081 -7.326 13.600 1.00 0.00 C ATOM 295 OD1 ASN A 22 7.045 -7.133 14.341 1.00 0.00 O ATOM 296 ND2 ASN A 22 5.416 -8.474 13.574 1.00 0.00 N ATOM 0 H ASN A 22 6.671 -3.705 11.546 1.00 0.00 H new ATOM 0 HA ASN A 22 7.612 -5.660 12.204 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.264 -5.381 13.241 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.727 -6.605 12.108 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.698 -9.241 14.185 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.623 -8.590 12.943 1.00 0.00 H new ATOM 303 N LEU A 23 7.749 -6.590 9.646 1.00 0.00 N ATOM 304 CA LEU A 23 8.035 -7.533 8.569 1.00 0.00 C ATOM 305 C LEU A 23 9.051 -8.578 9.016 1.00 0.00 C ATOM 306 O LEU A 23 9.918 -8.301 9.845 1.00 0.00 O ATOM 307 CB LEU A 23 8.559 -6.789 7.339 1.00 0.00 C ATOM 308 CG LEU A 23 7.499 -6.250 6.379 1.00 0.00 C ATOM 309 CD1 LEU A 23 8.148 -5.445 5.264 1.00 0.00 C ATOM 310 CD2 LEU A 23 6.671 -7.390 5.804 1.00 0.00 C ATOM 0 H LEU A 23 8.272 -5.716 9.591 1.00 0.00 H new ATOM 0 HA LEU A 23 7.107 -8.043 8.310 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.172 -5.954 7.678 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.214 -7.461 6.785 1.00 0.00 H new ATOM 0 HG LEU A 23 6.834 -5.590 6.936 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.378 -5.069 4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.696 -4.606 5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.836 -6.082 4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.921 -6.988 5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.323 -8.076 5.263 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.175 -7.924 6.614 1.00 0.00 H new ATOM 322 N SER A 24 8.940 -9.781 8.460 1.00 0.00 N ATOM 323 CA SER A 24 9.848 -10.869 8.803 1.00 0.00 C ATOM 324 C SER A 24 11.199 -10.685 8.118 1.00 0.00 C ATOM 325 O SER A 24 11.273 -10.217 6.981 1.00 0.00 O ATOM 326 CB SER A 24 9.239 -12.214 8.403 1.00 0.00 C ATOM 327 OG SER A 24 7.824 -12.169 8.453 1.00 0.00 O ATOM 0 H SER A 24 8.230 -10.026 7.770 1.00 0.00 H new ATOM 0 HA SER A 24 10.003 -10.855 9.882 1.00 0.00 H new ATOM 0 HB2 SER A 24 9.562 -12.478 7.396 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.605 -12.995 9.070 1.00 0.00 H new ATOM 0 HG SER A 24 7.475 -13.061 8.661 1.00 0.00 H new ATOM 333 N PHE A 25 12.265 -11.057 8.818 1.00 0.00 N ATOM 334 CA PHE A 25 13.615 -10.933 8.279 1.00 0.00 C ATOM 335 C PHE A 25 13.823 -11.890 7.109 1.00 0.00 C ATOM 336 O PHE A 25 14.772 -11.748 6.338 1.00 0.00 O ATOM 337 CB PHE A 25 14.650 -11.211 9.370 1.00 0.00 C ATOM 338 CG PHE A 25 14.802 -10.086 10.353 1.00 0.00 C ATOM 339 CD1 PHE A 25 15.424 -8.904 9.983 1.00 0.00 C ATOM 340 CD2 PHE A 25 14.323 -10.209 11.647 1.00 0.00 C ATOM 341 CE1 PHE A 25 15.565 -7.867 10.886 1.00 0.00 C ATOM 342 CE2 PHE A 25 14.461 -9.176 12.555 1.00 0.00 C ATOM 343 CZ PHE A 25 15.083 -8.003 12.173 1.00 0.00 C ATOM 0 H PHE A 25 12.221 -11.447 9.760 1.00 0.00 H new ATOM 0 HA PHE A 25 13.743 -9.912 7.918 1.00 0.00 H new ATOM 0 HB2 PHE A 25 14.366 -12.116 9.907 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.615 -11.407 8.903 1.00 0.00 H new ATOM 0 HD1 PHE A 25 15.803 -8.792 8.978 1.00 0.00 H new ATOM 0 HD2 PHE A 25 13.835 -11.124 11.950 1.00 0.00 H new ATOM 0 HE1 PHE A 25 16.052 -6.951 10.585 1.00 0.00 H new ATOM 0 HE2 PHE A 25 14.083 -9.286 13.561 1.00 0.00 H new ATOM 0 HZ PHE A 25 15.192 -7.194 12.880 1.00 0.00 H new ATOM 353 N ASP A 26 12.930 -12.865 6.984 1.00 0.00 N ATOM 354 CA ASP A 26 13.014 -13.846 5.908 1.00 0.00 C ATOM 355 C ASP A 26 12.141 -13.434 4.727 1.00 0.00 C ATOM 356 O ASP A 26 12.301 -13.941 3.617 1.00 0.00 O ATOM 357 CB ASP A 26 12.592 -15.227 6.413 1.00 0.00 C ATOM 358 CG ASP A 26 13.687 -15.914 7.204 1.00 0.00 C ATOM 359 OD1 ASP A 26 14.467 -15.207 7.877 1.00 0.00 O ATOM 360 OD2 ASP A 26 13.765 -17.159 7.150 1.00 0.00 O ATOM 0 H ASP A 26 12.139 -12.997 7.614 1.00 0.00 H new ATOM 0 HA ASP A 26 14.050 -13.892 5.572 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.705 -15.126 7.038 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.315 -15.852 5.564 1.00 0.00 H new ATOM 365 N SER A 27 11.216 -12.513 4.975 1.00 0.00 N ATOM 366 CA SER A 27 10.313 -12.036 3.933 1.00 0.00 C ATOM 367 C SER A 27 11.097 -11.479 2.748 1.00 0.00 C ATOM 368 O SER A 27 12.212 -10.984 2.906 1.00 0.00 O ATOM 369 CB SER A 27 9.379 -10.961 4.491 1.00 0.00 C ATOM 370 OG SER A 27 8.519 -10.459 3.483 1.00 0.00 O ATOM 0 H SER A 27 11.072 -12.082 5.888 1.00 0.00 H new ATOM 0 HA SER A 27 9.718 -12.881 3.588 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.786 -11.377 5.305 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.968 -10.145 4.910 1.00 0.00 H new ATOM 0 HG SER A 27 7.931 -9.775 3.866 1.00 0.00 H new ATOM 376 N GLU A 28 10.504 -11.566 1.561 1.00 0.00 N ATOM 377 CA GLU A 28 11.147 -11.072 0.349 1.00 0.00 C ATOM 378 C GLU A 28 10.169 -10.258 -0.492 1.00 0.00 C ATOM 379 O GLU A 28 8.989 -10.594 -0.589 1.00 0.00 O ATOM 380 CB GLU A 28 11.697 -12.239 -0.474 1.00 0.00 C ATOM 381 CG GLU A 28 12.611 -13.163 0.313 1.00 0.00 C ATOM 382 CD GLU A 28 13.466 -14.039 -0.581 1.00 0.00 C ATOM 383 OE1 GLU A 28 12.914 -14.972 -1.200 1.00 0.00 O ATOM 384 OE2 GLU A 28 14.688 -13.792 -0.661 1.00 0.00 O ATOM 0 H GLU A 28 9.581 -11.973 1.413 1.00 0.00 H new ATOM 0 HA GLU A 28 11.972 -10.424 0.644 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.863 -12.818 -0.870 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.244 -11.843 -1.329 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.258 -12.566 0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 28 12.008 -13.795 0.965 1.00 0.00 H new ATOM 391 N GLU A 29 10.669 -9.185 -1.097 1.00 0.00 N ATOM 392 CA GLU A 29 9.839 -8.322 -1.929 1.00 0.00 C ATOM 393 C GLU A 29 8.852 -9.145 -2.753 1.00 0.00 C ATOM 394 O GLU A 29 7.685 -8.778 -2.889 1.00 0.00 O ATOM 395 CB GLU A 29 10.713 -7.476 -2.858 1.00 0.00 C ATOM 396 CG GLU A 29 10.064 -6.170 -3.283 1.00 0.00 C ATOM 397 CD GLU A 29 11.061 -5.182 -3.855 1.00 0.00 C ATOM 398 OE1 GLU A 29 11.856 -4.620 -3.072 1.00 0.00 O ATOM 399 OE2 GLU A 29 11.047 -4.970 -5.086 1.00 0.00 O ATOM 0 H GLU A 29 11.644 -8.893 -1.027 1.00 0.00 H new ATOM 0 HA GLU A 29 9.275 -7.661 -1.271 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.656 -7.257 -2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.953 -8.059 -3.747 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.295 -6.376 -4.027 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.565 -5.721 -2.425 1.00 0.00 H new ATOM 406 N GLU A 30 9.330 -10.258 -3.299 1.00 0.00 N ATOM 407 CA GLU A 30 8.491 -11.132 -4.110 1.00 0.00 C ATOM 408 C GLU A 30 7.332 -11.690 -3.287 1.00 0.00 C ATOM 409 O GLU A 30 6.165 -11.475 -3.614 1.00 0.00 O ATOM 410 CB GLU A 30 9.320 -12.282 -4.687 1.00 0.00 C ATOM 411 CG GLU A 30 10.776 -11.920 -4.926 1.00 0.00 C ATOM 412 CD GLU A 30 11.482 -12.912 -5.831 1.00 0.00 C ATOM 413 OE1 GLU A 30 11.094 -13.015 -7.014 1.00 0.00 O ATOM 414 OE2 GLU A 30 12.421 -13.584 -5.357 1.00 0.00 O ATOM 0 H GLU A 30 10.294 -10.576 -3.195 1.00 0.00 H new ATOM 0 HA GLU A 30 8.082 -10.542 -4.930 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.272 -13.131 -4.005 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.875 -12.604 -5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.831 -10.926 -5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.296 -11.872 -3.970 1.00 0.00 H new ATOM 421 N ALA A 31 7.664 -12.407 -2.219 1.00 0.00 N ATOM 422 CA ALA A 31 6.652 -12.994 -1.349 1.00 0.00 C ATOM 423 C ALA A 31 5.709 -11.926 -0.805 1.00 0.00 C ATOM 424 O ALA A 31 4.490 -12.027 -0.951 1.00 0.00 O ATOM 425 CB ALA A 31 7.314 -13.749 -0.205 1.00 0.00 C ATOM 0 H ALA A 31 8.625 -12.596 -1.935 1.00 0.00 H new ATOM 0 HA ALA A 31 6.062 -13.695 -1.940 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.547 -14.182 0.437 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.941 -14.544 -0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.929 -13.062 0.377 1.00 0.00 H new ATOM 431 N LEU A 32 6.280 -10.904 -0.177 1.00 0.00 N ATOM 432 CA LEU A 32 5.490 -9.817 0.390 1.00 0.00 C ATOM 433 C LEU A 32 4.414 -9.358 -0.589 1.00 0.00 C ATOM 434 O LEU A 32 3.245 -9.232 -0.228 1.00 0.00 O ATOM 435 CB LEU A 32 6.395 -8.641 0.760 1.00 0.00 C ATOM 436 CG LEU A 32 5.723 -7.482 1.498 1.00 0.00 C ATOM 437 CD1 LEU A 32 6.760 -6.466 1.952 1.00 0.00 C ATOM 438 CD2 LEU A 32 4.678 -6.821 0.612 1.00 0.00 C ATOM 0 H LEU A 32 7.287 -10.805 -0.048 1.00 0.00 H new ATOM 0 HA LEU A 32 5.001 -10.188 1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.209 -9.016 1.380 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.843 -8.252 -0.154 1.00 0.00 H new ATOM 0 HG LEU A 32 5.223 -7.879 2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.264 -5.649 2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.472 -6.947 2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.289 -6.073 1.084 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.210 -5.999 1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.156 -6.437 -0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.919 -7.553 0.337 1.00 0.00 H new ATOM 450 N GLY A 33 4.818 -9.110 -1.831 1.00 0.00 N ATOM 451 CA GLY A 33 3.876 -8.670 -2.844 1.00 0.00 C ATOM 452 C GLY A 33 2.838 -9.725 -3.168 1.00 0.00 C ATOM 453 O GLY A 33 1.642 -9.438 -3.202 1.00 0.00 O ATOM 0 H GLY A 33 5.781 -9.206 -2.154 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.375 -7.765 -2.501 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.419 -8.409 -3.752 1.00 0.00 H new ATOM 457 N GLU A 34 3.297 -10.950 -3.409 1.00 0.00 N ATOM 458 CA GLU A 34 2.398 -12.051 -3.735 1.00 0.00 C ATOM 459 C GLU A 34 1.291 -12.177 -2.692 1.00 0.00 C ATOM 460 O GLU A 34 0.258 -12.799 -2.939 1.00 0.00 O ATOM 461 CB GLU A 34 3.178 -13.364 -3.828 1.00 0.00 C ATOM 462 CG GLU A 34 3.950 -13.523 -5.127 1.00 0.00 C ATOM 463 CD GLU A 34 5.036 -14.577 -5.034 1.00 0.00 C ATOM 464 OE1 GLU A 34 4.693 -15.775 -4.944 1.00 0.00 O ATOM 465 OE2 GLU A 34 6.228 -14.206 -5.053 1.00 0.00 O ATOM 0 H GLU A 34 4.285 -11.204 -3.385 1.00 0.00 H new ATOM 0 HA GLU A 34 1.940 -11.839 -4.701 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.875 -13.423 -2.992 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.483 -14.198 -3.724 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.258 -13.789 -5.926 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.399 -12.567 -5.398 1.00 0.00 H new ATOM 472 N VAL A 35 1.515 -11.581 -1.525 1.00 0.00 N ATOM 473 CA VAL A 35 0.537 -11.625 -0.444 1.00 0.00 C ATOM 474 C VAL A 35 -0.532 -10.553 -0.626 1.00 0.00 C ATOM 475 O VAL A 35 -1.726 -10.821 -0.485 1.00 0.00 O ATOM 476 CB VAL A 35 1.209 -11.437 0.929 1.00 0.00 C ATOM 477 CG1 VAL A 35 0.165 -11.401 2.034 1.00 0.00 C ATOM 478 CG2 VAL A 35 2.225 -12.541 1.180 1.00 0.00 C ATOM 0 H VAL A 35 2.365 -11.062 -1.304 1.00 0.00 H new ATOM 0 HA VAL A 35 0.070 -12.609 -0.480 1.00 0.00 H new ATOM 0 HB VAL A 35 1.736 -10.483 0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.659 -11.268 2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.521 -10.572 1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.392 -12.338 2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.690 -12.393 2.154 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.723 -13.508 1.161 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.991 -12.514 0.405 1.00 0.00 H new ATOM 488 N LEU A 36 -0.096 -9.338 -0.940 1.00 0.00 N ATOM 489 CA LEU A 36 -1.015 -8.224 -1.142 1.00 0.00 C ATOM 490 C LEU A 36 -1.685 -8.312 -2.510 1.00 0.00 C ATOM 491 O LEU A 36 -2.728 -7.701 -2.740 1.00 0.00 O ATOM 492 CB LEU A 36 -0.272 -6.894 -1.011 1.00 0.00 C ATOM 493 CG LEU A 36 0.650 -6.757 0.201 1.00 0.00 C ATOM 494 CD1 LEU A 36 1.536 -5.528 0.062 1.00 0.00 C ATOM 495 CD2 LEU A 36 -0.164 -6.687 1.485 1.00 0.00 C ATOM 0 H LEU A 36 0.888 -9.099 -1.060 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.787 -8.279 -0.375 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.321 -6.742 -1.913 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.009 -6.091 -0.975 1.00 0.00 H new ATOM 0 HG LEU A 36 1.290 -7.638 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.185 -5.447 0.934 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.145 -5.619 -0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.913 -4.637 -0.010 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.508 -6.590 2.337 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.829 -5.824 1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.755 -7.597 1.591 1.00 0.00 H new ATOM 507 N GLN A 37 -1.080 -9.079 -3.411 1.00 0.00 N ATOM 508 CA GLN A 37 -1.620 -9.248 -4.755 1.00 0.00 C ATOM 509 C GLN A 37 -3.013 -9.867 -4.709 1.00 0.00 C ATOM 510 O GLN A 37 -3.892 -9.499 -5.487 1.00 0.00 O ATOM 511 CB GLN A 37 -0.688 -10.122 -5.596 1.00 0.00 C ATOM 512 CG GLN A 37 0.436 -9.347 -6.264 1.00 0.00 C ATOM 513 CD GLN A 37 1.085 -10.118 -7.396 1.00 0.00 C ATOM 514 OE1 GLN A 37 0.503 -10.275 -8.470 1.00 0.00 O ATOM 515 NE2 GLN A 37 2.297 -10.606 -7.161 1.00 0.00 N ATOM 0 H GLN A 37 -0.217 -9.593 -3.235 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.696 -8.263 -5.215 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.257 -10.895 -4.960 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.273 -10.630 -6.363 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.044 -8.406 -6.649 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.192 -9.097 -5.520 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.742 -10.452 -6.256 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.783 -11.135 -7.885 1.00 0.00 H new ATOM 524 N GLN A 38 -3.206 -10.809 -3.791 1.00 0.00 N ATOM 525 CA GLN A 38 -4.492 -11.480 -3.644 1.00 0.00 C ATOM 526 C GLN A 38 -5.642 -10.484 -3.761 1.00 0.00 C ATOM 527 O GLN A 38 -6.636 -10.745 -4.439 1.00 0.00 O ATOM 528 CB GLN A 38 -4.563 -12.203 -2.298 1.00 0.00 C ATOM 529 CG GLN A 38 -4.811 -11.274 -1.121 1.00 0.00 C ATOM 530 CD GLN A 38 -4.821 -12.005 0.207 1.00 0.00 C ATOM 531 OE1 GLN A 38 -5.809 -11.970 0.941 1.00 0.00 O ATOM 532 NE2 GLN A 38 -3.718 -12.674 0.524 1.00 0.00 N ATOM 0 H GLN A 38 -2.488 -11.124 -3.138 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.586 -12.212 -4.447 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.358 -12.947 -2.336 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.630 -12.742 -2.135 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -4.040 -10.504 -1.102 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.765 -10.766 -1.259 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.922 -12.676 -0.114 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.667 -13.185 1.405 1.00 0.00 H new ATOM 541 N PHE A 39 -5.500 -9.343 -3.096 1.00 0.00 N ATOM 542 CA PHE A 39 -6.527 -8.308 -3.124 1.00 0.00 C ATOM 543 C PHE A 39 -6.579 -7.631 -4.491 1.00 0.00 C ATOM 544 O PHE A 39 -7.613 -7.634 -5.158 1.00 0.00 O ATOM 545 CB PHE A 39 -6.262 -7.266 -2.036 1.00 0.00 C ATOM 546 CG PHE A 39 -6.177 -7.850 -0.655 1.00 0.00 C ATOM 547 CD1 PHE A 39 -7.319 -8.016 0.113 1.00 0.00 C ATOM 548 CD2 PHE A 39 -4.956 -8.233 -0.124 1.00 0.00 C ATOM 549 CE1 PHE A 39 -7.245 -8.554 1.384 1.00 0.00 C ATOM 550 CE2 PHE A 39 -4.876 -8.772 1.147 1.00 0.00 C ATOM 551 CZ PHE A 39 -6.021 -8.931 1.902 1.00 0.00 C ATOM 0 H PHE A 39 -4.683 -9.111 -2.531 1.00 0.00 H new ATOM 0 HA PHE A 39 -7.490 -8.782 -2.935 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.330 -6.747 -2.260 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.056 -6.519 -2.058 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -8.278 -7.721 -0.287 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.057 -8.109 -0.709 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -8.143 -8.679 1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.918 -9.068 1.549 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.960 -9.349 2.896 1.00 0.00 H new ATOM 561 N GLY A 40 -5.455 -7.050 -4.900 1.00 0.00 N ATOM 562 CA GLY A 40 -5.394 -6.376 -6.184 1.00 0.00 C ATOM 563 C GLY A 40 -3.997 -6.377 -6.772 1.00 0.00 C ATOM 564 O GLY A 40 -3.031 -6.729 -6.096 1.00 0.00 O ATOM 0 H GLY A 40 -4.586 -7.034 -4.366 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.078 -6.862 -6.879 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.736 -5.347 -6.068 1.00 0.00 H new ATOM 568 N ASP A 41 -3.889 -5.983 -8.036 1.00 0.00 N ATOM 569 CA ASP A 41 -2.600 -5.940 -8.717 1.00 0.00 C ATOM 570 C ASP A 41 -1.704 -4.861 -8.116 1.00 0.00 C ATOM 571 O ASP A 41 -2.029 -3.674 -8.160 1.00 0.00 O ATOM 572 CB ASP A 41 -2.797 -5.683 -10.212 1.00 0.00 C ATOM 573 CG ASP A 41 -3.816 -6.618 -10.831 1.00 0.00 C ATOM 574 OD1 ASP A 41 -3.429 -7.735 -11.232 1.00 0.00 O ATOM 575 OD2 ASP A 41 -5.001 -6.233 -10.915 1.00 0.00 O ATOM 0 H ASP A 41 -4.679 -5.689 -8.610 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.114 -6.906 -8.584 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.117 -4.652 -10.361 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.843 -5.798 -10.726 1.00 0.00 H new ATOM 580 N LEU A 42 -0.576 -5.282 -7.554 1.00 0.00 N ATOM 581 CA LEU A 42 0.367 -4.352 -6.943 1.00 0.00 C ATOM 582 C LEU A 42 1.175 -3.617 -8.008 1.00 0.00 C ATOM 583 O LEU A 42 1.846 -4.238 -8.833 1.00 0.00 O ATOM 584 CB LEU A 42 1.309 -5.098 -5.997 1.00 0.00 C ATOM 585 CG LEU A 42 0.708 -5.538 -4.661 1.00 0.00 C ATOM 586 CD1 LEU A 42 1.395 -6.797 -4.155 1.00 0.00 C ATOM 587 CD2 LEU A 42 0.815 -4.420 -3.634 1.00 0.00 C ATOM 0 H LEU A 42 -0.292 -6.261 -7.509 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.203 -3.617 -6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.684 -5.982 -6.513 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.168 -4.459 -5.793 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.347 -5.762 -4.816 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.954 -7.095 -3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.266 -7.599 -4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.458 -6.601 -4.016 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.382 -4.751 -2.690 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.864 -4.164 -3.483 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.276 -3.543 -3.993 1.00 0.00 H new ATOM 599 N LYS A 43 1.108 -2.290 -7.983 1.00 0.00 N ATOM 600 CA LYS A 43 1.836 -1.469 -8.944 1.00 0.00 C ATOM 601 C LYS A 43 3.342 -1.611 -8.750 1.00 0.00 C ATOM 602 O LYS A 43 4.083 -1.832 -9.708 1.00 0.00 O ATOM 603 CB LYS A 43 1.429 -0.001 -8.802 1.00 0.00 C ATOM 604 CG LYS A 43 2.304 0.952 -9.598 1.00 0.00 C ATOM 605 CD LYS A 43 1.897 0.992 -11.062 1.00 0.00 C ATOM 606 CE LYS A 43 0.801 2.017 -11.309 1.00 0.00 C ATOM 607 NZ LYS A 43 0.747 2.438 -12.736 1.00 0.00 N ATOM 0 H LYS A 43 0.557 -1.760 -7.308 1.00 0.00 H new ATOM 0 HA LYS A 43 1.582 -1.815 -9.946 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.394 0.113 -9.125 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.467 0.278 -7.749 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.234 1.953 -9.172 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.346 0.644 -9.517 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.765 1.232 -11.676 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.551 0.006 -11.371 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.162 1.597 -11.018 1.00 0.00 H new ATOM 0 HE3 LYS A 43 0.971 2.890 -10.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.184 2.853 -12.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.488 3.144 -12.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 0.899 1.611 -13.348 1.00 0.00 H new ATOM 621 N TYR A 44 3.788 -1.484 -7.505 1.00 0.00 N ATOM 622 CA TYR A 44 5.207 -1.597 -7.186 1.00 0.00 C ATOM 623 C TYR A 44 5.406 -2.008 -5.730 1.00 0.00 C ATOM 624 O TYR A 44 4.741 -1.495 -4.831 1.00 0.00 O ATOM 625 CB TYR A 44 5.919 -0.270 -7.455 1.00 0.00 C ATOM 626 CG TYR A 44 5.947 0.656 -6.259 1.00 0.00 C ATOM 627 CD1 TYR A 44 6.888 0.490 -5.251 1.00 0.00 C ATOM 628 CD2 TYR A 44 5.032 1.694 -6.138 1.00 0.00 C ATOM 629 CE1 TYR A 44 6.917 1.333 -4.156 1.00 0.00 C ATOM 630 CE2 TYR A 44 5.055 2.543 -5.048 1.00 0.00 C ATOM 631 CZ TYR A 44 5.999 2.358 -4.060 1.00 0.00 C ATOM 632 OH TYR A 44 6.025 3.200 -2.972 1.00 0.00 O ATOM 0 H TYR A 44 3.188 -1.303 -6.700 1.00 0.00 H new ATOM 0 HA TYR A 44 5.637 -2.368 -7.825 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.942 -0.474 -7.770 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.425 0.236 -8.284 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.609 -0.311 -5.324 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.290 1.840 -6.909 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.654 1.190 -3.380 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.338 3.347 -4.970 1.00 0.00 H new ATOM 0 HH TYR A 44 5.313 3.868 -3.058 1.00 0.00 H new ATOM 642 N VAL A 45 6.329 -2.938 -5.506 1.00 0.00 N ATOM 643 CA VAL A 45 6.620 -3.418 -4.161 1.00 0.00 C ATOM 644 C VAL A 45 8.097 -3.250 -3.824 1.00 0.00 C ATOM 645 O VAL A 45 8.961 -3.865 -4.450 1.00 0.00 O ATOM 646 CB VAL A 45 6.233 -4.900 -3.998 1.00 0.00 C ATOM 647 CG1 VAL A 45 6.689 -5.707 -5.204 1.00 0.00 C ATOM 648 CG2 VAL A 45 6.822 -5.466 -2.715 1.00 0.00 C ATOM 0 H VAL A 45 6.888 -3.374 -6.239 1.00 0.00 H new ATOM 0 HA VAL A 45 6.024 -2.816 -3.475 1.00 0.00 H new ATOM 0 HB VAL A 45 5.147 -4.969 -3.934 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.407 -6.751 -5.071 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.215 -5.315 -6.104 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.772 -5.634 -5.303 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.539 -6.514 -2.616 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.909 -5.385 -2.747 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.441 -4.905 -1.861 1.00 0.00 H new ATOM 658 N ARG A 46 8.381 -2.413 -2.831 1.00 0.00 N ATOM 659 CA ARG A 46 9.755 -2.164 -2.411 1.00 0.00 C ATOM 660 C ARG A 46 9.905 -2.348 -0.904 1.00 0.00 C ATOM 661 O ARG A 46 9.079 -1.872 -0.125 1.00 0.00 O ATOM 662 CB ARG A 46 10.183 -0.750 -2.809 1.00 0.00 C ATOM 663 CG ARG A 46 11.671 -0.621 -3.092 1.00 0.00 C ATOM 664 CD ARG A 46 12.181 0.773 -2.765 1.00 0.00 C ATOM 665 NE ARG A 46 12.149 1.046 -1.331 1.00 0.00 N ATOM 666 CZ ARG A 46 12.807 2.047 -0.758 1.00 0.00 C ATOM 667 NH1 ARG A 46 13.544 2.867 -1.494 1.00 0.00 N ATOM 668 NH2 ARG A 46 12.728 2.230 0.554 1.00 0.00 N ATOM 0 H ARG A 46 7.678 -1.896 -2.303 1.00 0.00 H new ATOM 0 HA ARG A 46 10.399 -2.886 -2.913 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.626 -0.447 -3.695 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.912 -0.059 -2.010 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.219 -1.357 -2.505 1.00 0.00 H new ATOM 0 HG3 ARG A 46 11.863 -0.843 -4.142 1.00 0.00 H new ATOM 0 HD2 ARG A 46 13.202 0.881 -3.132 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.575 1.513 -3.288 1.00 0.00 H new ATOM 0 HE ARG A 46 11.590 0.434 -0.736 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.607 2.730 -2.503 1.00 0.00 H new ATOM 0 HH12 ARG A 46 14.048 3.635 -1.052 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.161 1.601 1.123 1.00 0.00 H new ATOM 0 HH22 ARG A 46 13.234 2.999 0.993 1.00 0.00 H new ATOM 682 N VAL A 47 10.964 -3.041 -0.500 1.00 0.00 N ATOM 683 CA VAL A 47 11.223 -3.288 0.913 1.00 0.00 C ATOM 684 C VAL A 47 12.541 -2.657 1.349 1.00 0.00 C ATOM 685 O VAL A 47 13.617 -3.111 0.960 1.00 0.00 O ATOM 686 CB VAL A 47 11.262 -4.796 1.222 1.00 0.00 C ATOM 687 CG1 VAL A 47 12.098 -5.532 0.186 1.00 0.00 C ATOM 688 CG2 VAL A 47 11.800 -5.039 2.624 1.00 0.00 C ATOM 0 H VAL A 47 11.657 -3.442 -1.132 1.00 0.00 H new ATOM 0 HA VAL A 47 10.404 -2.832 1.469 1.00 0.00 H new ATOM 0 HB VAL A 47 10.245 -5.185 1.176 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.114 -6.596 0.421 1.00 0.00 H new ATOM 0 HG12 VAL A 47 11.664 -5.385 -0.803 1.00 0.00 H new ATOM 0 HG13 VAL A 47 13.116 -5.143 0.197 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.821 -6.110 2.825 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.810 -4.636 2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 47 11.156 -4.545 3.352 1.00 0.00 H new ATOM 698 N VAL A 48 12.449 -1.608 2.160 1.00 0.00 N ATOM 699 CA VAL A 48 13.634 -0.915 2.650 1.00 0.00 C ATOM 700 C VAL A 48 14.502 -1.841 3.495 1.00 0.00 C ATOM 701 O VAL A 48 13.994 -2.714 4.200 1.00 0.00 O ATOM 702 CB VAL A 48 13.255 0.321 3.488 1.00 0.00 C ATOM 703 CG1 VAL A 48 12.331 -0.071 4.630 1.00 0.00 C ATOM 704 CG2 VAL A 48 14.505 1.011 4.014 1.00 0.00 C ATOM 0 H VAL A 48 11.566 -1.220 2.491 1.00 0.00 H new ATOM 0 HA VAL A 48 14.197 -0.593 1.774 1.00 0.00 H new ATOM 0 HB VAL A 48 12.722 1.024 2.847 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.074 0.815 5.211 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.422 -0.516 4.226 1.00 0.00 H new ATOM 0 HG13 VAL A 48 12.834 -0.793 5.273 1.00 0.00 H new ATOM 0 HG21 VAL A 48 14.219 1.882 4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 48 15.067 0.318 4.640 1.00 0.00 H new ATOM 0 HG23 VAL A 48 15.125 1.328 3.176 1.00 0.00 H new ATOM 857 N GLY A 58 12.455 -4.122 8.592 1.00 0.00 N ATOM 858 CA GLY A 58 11.203 -4.526 9.205 1.00 0.00 C ATOM 859 C GLY A 58 10.019 -3.739 8.679 1.00 0.00 C ATOM 860 O GLY A 58 9.002 -3.604 9.361 1.00 0.00 O ATOM 0 HA2 GLY A 58 11.039 -5.588 9.023 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.272 -4.395 10.285 1.00 0.00 H new ATOM 864 N CYS A 59 10.150 -3.217 7.465 1.00 0.00 N ATOM 865 CA CYS A 59 9.083 -2.436 6.849 1.00 0.00 C ATOM 866 C CYS A 59 9.284 -2.337 5.340 1.00 0.00 C ATOM 867 O CYS A 59 10.412 -2.235 4.859 1.00 0.00 O ATOM 868 CB CYS A 59 9.028 -1.036 7.462 1.00 0.00 C ATOM 869 SG CYS A 59 10.629 -0.415 8.028 1.00 0.00 S ATOM 0 H CYS A 59 10.984 -3.320 6.887 1.00 0.00 H new ATOM 0 HA CYS A 59 8.138 -2.944 7.039 1.00 0.00 H new ATOM 0 HB2 CYS A 59 8.622 -0.344 6.724 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.336 -1.047 8.304 1.00 0.00 H new ATOM 0 HG CYS A 59 10.480 0.776 8.528 1.00 0.00 H new ATOM 875 N ALA A 60 8.182 -2.369 4.598 1.00 0.00 N ATOM 876 CA ALA A 60 8.236 -2.282 3.144 1.00 0.00 C ATOM 877 C ALA A 60 7.070 -1.465 2.599 1.00 0.00 C ATOM 878 O ALA A 60 5.955 -1.534 3.116 1.00 0.00 O ATOM 879 CB ALA A 60 8.239 -3.675 2.532 1.00 0.00 C ATOM 0 H ALA A 60 7.240 -2.455 4.980 1.00 0.00 H new ATOM 0 HA ALA A 60 9.161 -1.774 2.869 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.280 -3.595 1.446 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.109 -4.227 2.888 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.331 -4.202 2.823 1.00 0.00 H new ATOM 885 N PHE A 61 7.335 -0.691 1.552 1.00 0.00 N ATOM 886 CA PHE A 61 6.308 0.142 0.937 1.00 0.00 C ATOM 887 C PHE A 61 5.784 -0.498 -0.345 1.00 0.00 C ATOM 888 O PHE A 61 6.553 -1.037 -1.141 1.00 0.00 O ATOM 889 CB PHE A 61 6.863 1.535 0.635 1.00 0.00 C ATOM 890 CG PHE A 61 7.560 2.169 1.805 1.00 0.00 C ATOM 891 CD1 PHE A 61 8.852 1.798 2.143 1.00 0.00 C ATOM 892 CD2 PHE A 61 6.924 3.136 2.567 1.00 0.00 C ATOM 893 CE1 PHE A 61 9.495 2.380 3.219 1.00 0.00 C ATOM 894 CE2 PHE A 61 7.562 3.721 3.644 1.00 0.00 C ATOM 895 CZ PHE A 61 8.850 3.343 3.970 1.00 0.00 C ATOM 0 H PHE A 61 8.252 -0.623 1.111 1.00 0.00 H new ATOM 0 HA PHE A 61 5.481 0.233 1.641 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.561 1.466 -0.200 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.046 2.182 0.315 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.362 1.046 1.559 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.917 3.436 2.316 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.502 2.082 3.473 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.054 4.473 4.230 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.352 3.800 4.810 1.00 0.00 H new ATOM 905 N ALA A 62 4.471 -0.436 -0.538 1.00 0.00 N ATOM 906 CA ALA A 62 3.844 -1.007 -1.723 1.00 0.00 C ATOM 907 C ALA A 62 2.771 -0.077 -2.279 1.00 0.00 C ATOM 908 O ALA A 62 2.384 0.895 -1.632 1.00 0.00 O ATOM 909 CB ALA A 62 3.249 -2.370 -1.400 1.00 0.00 C ATOM 0 H ALA A 62 3.820 0.005 0.112 1.00 0.00 H new ATOM 0 HA ALA A 62 4.612 -1.130 -2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.784 -2.785 -2.294 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.038 -3.039 -1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.498 -2.263 -0.617 1.00 0.00 H new ATOM 915 N GLN A 63 2.296 -0.383 -3.482 1.00 0.00 N ATOM 916 CA GLN A 63 1.269 0.428 -4.125 1.00 0.00 C ATOM 917 C GLN A 63 0.267 -0.451 -4.868 1.00 0.00 C ATOM 918 O GLN A 63 0.640 -1.448 -5.486 1.00 0.00 O ATOM 919 CB GLN A 63 1.908 1.424 -5.095 1.00 0.00 C ATOM 920 CG GLN A 63 0.970 2.541 -5.524 1.00 0.00 C ATOM 921 CD GLN A 63 1.273 3.053 -6.919 1.00 0.00 C ATOM 922 OE1 GLN A 63 0.460 2.912 -7.834 1.00 0.00 O ATOM 923 NE2 GLN A 63 2.446 3.650 -7.089 1.00 0.00 N ATOM 0 H GLN A 63 2.605 -1.185 -4.030 1.00 0.00 H new ATOM 0 HA GLN A 63 0.737 0.978 -3.348 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.790 1.861 -4.626 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.250 0.888 -5.980 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.058 2.181 -5.488 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.044 3.365 -4.814 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.089 3.745 -6.303 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.705 4.014 -8.006 1.00 0.00 H new ATOM 932 N PHE A 64 -1.005 -0.075 -4.802 1.00 0.00 N ATOM 933 CA PHE A 64 -2.061 -0.830 -5.467 1.00 0.00 C ATOM 934 C PHE A 64 -2.483 -0.147 -6.764 1.00 0.00 C ATOM 935 O PHE A 64 -2.058 0.970 -7.057 1.00 0.00 O ATOM 936 CB PHE A 64 -3.270 -0.981 -4.541 1.00 0.00 C ATOM 937 CG PHE A 64 -3.202 -2.197 -3.662 1.00 0.00 C ATOM 938 CD1 PHE A 64 -2.505 -2.166 -2.465 1.00 0.00 C ATOM 939 CD2 PHE A 64 -3.838 -3.372 -4.032 1.00 0.00 C ATOM 940 CE1 PHE A 64 -2.441 -3.284 -1.655 1.00 0.00 C ATOM 941 CE2 PHE A 64 -3.777 -4.493 -3.225 1.00 0.00 C ATOM 942 CZ PHE A 64 -3.079 -4.448 -2.035 1.00 0.00 C ATOM 0 H PHE A 64 -1.330 0.748 -4.295 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.670 -1.819 -5.707 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.351 -0.093 -3.914 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.176 -1.029 -5.144 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.006 -1.258 -2.161 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.387 -3.412 -4.961 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.892 -3.247 -0.725 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.275 -5.403 -3.525 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.032 -5.322 -1.402 1.00 0.00 H new ATOM 952 N MET A 65 -3.322 -0.828 -7.539 1.00 0.00 N ATOM 953 CA MET A 65 -3.802 -0.288 -8.805 1.00 0.00 C ATOM 954 C MET A 65 -5.071 0.534 -8.599 1.00 0.00 C ATOM 955 O MET A 65 -5.352 1.462 -9.358 1.00 0.00 O ATOM 956 CB MET A 65 -4.069 -1.420 -9.799 1.00 0.00 C ATOM 957 CG MET A 65 -2.854 -1.796 -10.632 1.00 0.00 C ATOM 958 SD MET A 65 -2.565 -0.652 -11.995 1.00 0.00 S ATOM 959 CE MET A 65 -0.813 -0.895 -12.274 1.00 0.00 C ATOM 0 H MET A 65 -3.683 -1.755 -7.312 1.00 0.00 H new ATOM 0 HA MET A 65 -3.029 0.365 -9.209 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.411 -2.299 -9.253 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.879 -1.124 -10.466 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.973 -1.821 -9.991 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.988 -2.802 -11.029 1.00 0.00 H new ATOM 0 HE1 MET A 65 -0.401 -0.024 -12.784 1.00 0.00 H new ATOM 0 HE2 MET A 65 -0.307 -1.028 -11.318 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.662 -1.781 -12.891 1.00 0.00 H new ATOM 969 N THR A 66 -5.834 0.187 -7.568 1.00 0.00 N ATOM 970 CA THR A 66 -7.074 0.891 -7.263 1.00 0.00 C ATOM 971 C THR A 66 -7.144 1.266 -5.788 1.00 0.00 C ATOM 972 O THR A 66 -6.662 0.530 -4.927 1.00 0.00 O ATOM 973 CB THR A 66 -8.306 0.040 -7.624 1.00 0.00 C ATOM 974 OG1 THR A 66 -8.169 -1.277 -7.080 1.00 0.00 O ATOM 975 CG2 THR A 66 -8.482 -0.045 -9.133 1.00 0.00 C ATOM 0 H THR A 66 -5.615 -0.578 -6.929 1.00 0.00 H new ATOM 0 HA THR A 66 -7.079 1.799 -7.866 1.00 0.00 H new ATOM 0 HB THR A 66 -9.188 0.519 -7.197 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.957 -1.811 -7.313 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.358 -0.651 -9.364 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.616 0.957 -9.541 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.598 -0.502 -9.577 1.00 0.00 H new ATOM 983 N GLN A 67 -7.748 2.415 -5.503 1.00 0.00 N ATOM 984 CA GLN A 67 -7.881 2.888 -4.130 1.00 0.00 C ATOM 985 C GLN A 67 -8.523 1.823 -3.247 1.00 0.00 C ATOM 986 O GLN A 67 -8.010 1.499 -2.177 1.00 0.00 O ATOM 987 CB GLN A 67 -8.714 4.171 -4.088 1.00 0.00 C ATOM 988 CG GLN A 67 -7.900 5.432 -4.332 1.00 0.00 C ATOM 989 CD GLN A 67 -8.763 6.617 -4.718 1.00 0.00 C ATOM 990 OE1 GLN A 67 -9.986 6.506 -4.810 1.00 0.00 O ATOM 991 NE2 GLN A 67 -8.129 7.762 -4.946 1.00 0.00 N ATOM 0 H GLN A 67 -8.153 3.035 -6.204 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.882 3.098 -3.747 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.503 4.107 -4.837 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.202 4.246 -3.116 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.336 5.676 -3.432 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.173 5.244 -5.122 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.114 7.809 -4.858 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.657 8.594 -5.209 1.00 0.00 H new ATOM 1000 N GLU A 68 -9.648 1.282 -3.704 1.00 0.00 N ATOM 1001 CA GLU A 68 -10.360 0.254 -2.954 1.00 0.00 C ATOM 1002 C GLU A 68 -9.420 -0.883 -2.562 1.00 0.00 C ATOM 1003 O GLU A 68 -9.514 -1.428 -1.463 1.00 0.00 O ATOM 1004 CB GLU A 68 -11.526 -0.296 -3.780 1.00 0.00 C ATOM 1005 CG GLU A 68 -12.693 -0.782 -2.937 1.00 0.00 C ATOM 1006 CD GLU A 68 -13.968 -0.940 -3.742 1.00 0.00 C ATOM 1007 OE1 GLU A 68 -13.971 -1.749 -4.694 1.00 0.00 O ATOM 1008 OE2 GLU A 68 -14.962 -0.257 -3.420 1.00 0.00 O ATOM 0 H GLU A 68 -10.086 1.538 -4.589 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.751 0.710 -2.044 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.878 0.481 -4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.167 -1.120 -4.397 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.434 -1.738 -2.482 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.866 -0.078 -2.123 1.00 0.00 H new ATOM 1015 N ALA A 69 -8.515 -1.234 -3.469 1.00 0.00 N ATOM 1016 CA ALA A 69 -7.557 -2.303 -3.218 1.00 0.00 C ATOM 1017 C ALA A 69 -6.796 -2.064 -1.919 1.00 0.00 C ATOM 1018 O ALA A 69 -6.866 -2.869 -0.990 1.00 0.00 O ATOM 1019 CB ALA A 69 -6.588 -2.429 -4.385 1.00 0.00 C ATOM 0 H ALA A 69 -8.425 -0.793 -4.385 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.110 -3.237 -3.118 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.878 -3.231 -4.184 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.143 -2.655 -5.296 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.048 -1.491 -4.513 1.00 0.00 H new ATOM 1025 N ALA A 70 -6.068 -0.954 -1.861 1.00 0.00 N ATOM 1026 CA ALA A 70 -5.294 -0.609 -0.674 1.00 0.00 C ATOM 1027 C ALA A 70 -6.122 -0.793 0.593 1.00 0.00 C ATOM 1028 O ALA A 70 -5.683 -1.444 1.542 1.00 0.00 O ATOM 1029 CB ALA A 70 -4.787 0.822 -0.773 1.00 0.00 C ATOM 0 H ALA A 70 -5.998 -0.278 -2.622 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.439 -1.283 -0.619 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.211 1.066 0.119 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.152 0.923 -1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.634 1.503 -0.856 1.00 0.00 H new ATOM 1035 N GLN A 71 -7.318 -0.215 0.602 1.00 0.00 N ATOM 1036 CA GLN A 71 -8.206 -0.315 1.755 1.00 0.00 C ATOM 1037 C GLN A 71 -8.506 -1.773 2.086 1.00 0.00 C ATOM 1038 O GLN A 71 -8.462 -2.179 3.248 1.00 0.00 O ATOM 1039 CB GLN A 71 -9.510 0.438 1.488 1.00 0.00 C ATOM 1040 CG GLN A 71 -9.306 1.905 1.145 1.00 0.00 C ATOM 1041 CD GLN A 71 -8.178 2.538 1.935 1.00 0.00 C ATOM 1042 OE1 GLN A 71 -8.413 3.318 2.859 1.00 0.00 O ATOM 1043 NE2 GLN A 71 -6.943 2.205 1.576 1.00 0.00 N ATOM 0 H GLN A 71 -7.695 0.327 -0.175 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.702 0.137 2.610 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.039 -0.048 0.668 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.149 0.365 2.368 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.096 1.999 0.080 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.230 2.451 1.337 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.794 1.555 0.804 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.144 2.599 2.072 1.00 0.00 H new ATOM 1052 N LYS A 72 -8.810 -2.558 1.058 1.00 0.00 N ATOM 1053 CA LYS A 72 -9.117 -3.972 1.239 1.00 0.00 C ATOM 1054 C LYS A 72 -7.953 -4.701 1.902 1.00 0.00 C ATOM 1055 O LYS A 72 -8.147 -5.706 2.587 1.00 0.00 O ATOM 1056 CB LYS A 72 -9.437 -4.621 -0.110 1.00 0.00 C ATOM 1057 CG LYS A 72 -10.781 -4.205 -0.681 1.00 0.00 C ATOM 1058 CD LYS A 72 -11.064 -4.901 -2.002 1.00 0.00 C ATOM 1059 CE LYS A 72 -12.417 -4.495 -2.567 1.00 0.00 C ATOM 1060 NZ LYS A 72 -13.027 -5.582 -3.382 1.00 0.00 N ATOM 0 H LYS A 72 -8.850 -2.239 0.090 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.988 -4.049 1.889 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.653 -4.363 -0.823 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.420 -5.705 0.005 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.570 -4.442 0.033 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.797 -3.125 -0.827 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.281 -4.656 -2.719 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.038 -5.981 -1.858 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.089 -4.234 -1.749 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.301 -3.602 -3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.947 -5.266 -3.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.398 -5.814 -4.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.162 -6.426 -2.790 1.00 0.00 H new ATOM 1074 N CYS A 73 -6.745 -4.187 1.697 1.00 0.00 N ATOM 1075 CA CYS A 73 -5.550 -4.789 2.276 1.00 0.00 C ATOM 1076 C CYS A 73 -5.441 -4.461 3.762 1.00 0.00 C ATOM 1077 O CYS A 73 -4.944 -5.265 4.552 1.00 0.00 O ATOM 1078 CB CYS A 73 -4.300 -4.302 1.541 1.00 0.00 C ATOM 1079 SG CYS A 73 -2.748 -4.697 2.381 1.00 0.00 S ATOM 0 H CYS A 73 -6.568 -3.355 1.134 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.629 -5.871 2.166 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.283 -4.742 0.544 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.366 -3.222 1.411 1.00 0.00 H new ATOM 0 HG CYS A 73 -1.806 -3.915 1.943 1.00 0.00 H new ATOM 1085 N LEU A 74 -5.907 -3.274 4.136 1.00 0.00 N ATOM 1086 CA LEU A 74 -5.861 -2.838 5.527 1.00 0.00 C ATOM 1087 C LEU A 74 -6.805 -3.669 6.390 1.00 0.00 C ATOM 1088 O LEU A 74 -6.365 -4.449 7.234 1.00 0.00 O ATOM 1089 CB LEU A 74 -6.229 -1.357 5.630 1.00 0.00 C ATOM 1090 CG LEU A 74 -5.558 -0.427 4.618 1.00 0.00 C ATOM 1091 CD1 LEU A 74 -6.051 1.001 4.797 1.00 0.00 C ATOM 1092 CD2 LEU A 74 -4.044 -0.491 4.758 1.00 0.00 C ATOM 0 H LEU A 74 -6.321 -2.597 3.495 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.844 -2.980 5.893 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.309 -1.263 5.519 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.980 -1.010 6.633 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.825 -0.759 3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.563 1.648 4.069 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.130 1.035 4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.814 1.344 5.804 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.583 0.177 4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.758 -0.184 5.764 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.705 -1.511 4.580 1.00 0.00 H new ATOM 1104 N ALA A 75 -8.104 -3.498 6.170 1.00 0.00 N ATOM 1105 CA ALA A 75 -9.110 -4.236 6.924 1.00 0.00 C ATOM 1106 C ALA A 75 -8.713 -5.699 7.083 1.00 0.00 C ATOM 1107 O ALA A 75 -9.091 -6.352 8.056 1.00 0.00 O ATOM 1108 CB ALA A 75 -10.466 -4.125 6.243 1.00 0.00 C ATOM 0 H ALA A 75 -8.485 -2.855 5.476 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.179 -3.796 7.919 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.208 -4.681 6.817 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.761 -3.077 6.188 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.402 -4.538 5.236 1.00 0.00 H new ATOM 1114 N ALA A 76 -7.950 -6.209 6.122 1.00 0.00 N ATOM 1115 CA ALA A 76 -7.502 -7.595 6.157 1.00 0.00 C ATOM 1116 C ALA A 76 -6.261 -7.749 7.031 1.00 0.00 C ATOM 1117 O ALA A 76 -6.089 -8.763 7.706 1.00 0.00 O ATOM 1118 CB ALA A 76 -7.221 -8.094 4.747 1.00 0.00 C ATOM 0 H ALA A 76 -7.629 -5.683 5.309 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.299 -8.198 6.593 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.887 -9.131 4.788 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.131 -8.029 4.150 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.444 -7.480 4.292 1.00 0.00 H new ATOM 1124 N ALA A 77 -5.401 -6.736 7.012 1.00 0.00 N ATOM 1125 CA ALA A 77 -4.177 -6.759 7.804 1.00 0.00 C ATOM 1126 C ALA A 77 -4.473 -6.507 9.278 1.00 0.00 C ATOM 1127 O ALA A 77 -3.747 -6.975 10.156 1.00 0.00 O ATOM 1128 CB ALA A 77 -3.189 -5.729 7.278 1.00 0.00 C ATOM 0 H ALA A 77 -5.529 -5.890 6.457 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.733 -7.751 7.714 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.280 -5.757 7.879 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.945 -5.955 6.240 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.633 -4.735 7.338 1.00 0.00 H new ATOM 1134 N SER A 78 -5.543 -5.764 9.544 1.00 0.00 N ATOM 1135 CA SER A 78 -5.932 -5.446 10.913 1.00 0.00 C ATOM 1136 C SER A 78 -6.485 -6.679 11.621 1.00 0.00 C ATOM 1137 O SER A 78 -7.594 -7.131 11.331 1.00 0.00 O ATOM 1138 CB SER A 78 -6.976 -4.328 10.922 1.00 0.00 C ATOM 1139 OG SER A 78 -6.878 -3.549 12.102 1.00 0.00 O ATOM 0 H SER A 78 -6.156 -5.371 8.829 1.00 0.00 H new ATOM 0 HA SER A 78 -5.044 -5.109 11.448 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.838 -3.690 10.049 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.975 -4.758 10.848 1.00 0.00 H new ATOM 0 HG SER A 78 -7.554 -2.840 12.083 1.00 0.00 H new ATOM 1225 N LEU A 86 -3.462 -10.597 8.820 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.493 -11.288 7.977 1.00 0.00 C ATOM 1227 C LEU A 86 -1.185 -11.519 8.728 1.00 0.00 C ATOM 1228 O LEU A 86 -0.707 -10.642 9.448 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.229 -10.483 6.704 1.00 0.00 C ATOM 1230 CG LEU A 86 -3.131 -10.798 5.511 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -4.546 -10.301 5.765 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -2.568 -10.182 4.239 1.00 0.00 C ATOM 0 HA LEU A 86 -2.910 -12.258 7.705 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.330 -9.424 6.941 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.194 -10.645 6.404 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.166 -11.880 5.382 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.173 -10.534 4.905 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.950 -10.790 6.652 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.530 -9.222 5.921 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.223 -10.417 3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.502 -9.100 4.357 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.574 -10.587 4.047 1.00 0.00 H new ATOM 1244 N LYS A 87 -0.609 -12.703 8.553 1.00 0.00 N ATOM 1245 CA LYS A 87 0.645 -13.049 9.210 1.00 0.00 C ATOM 1246 C LYS A 87 1.610 -13.708 8.229 1.00 0.00 C ATOM 1247 O LYS A 87 1.201 -14.501 7.380 1.00 0.00 O ATOM 1248 CB LYS A 87 0.385 -13.985 10.392 1.00 0.00 C ATOM 1249 CG LYS A 87 -0.099 -13.268 11.641 1.00 0.00 C ATOM 1250 CD LYS A 87 0.348 -13.984 12.904 1.00 0.00 C ATOM 1251 CE LYS A 87 -0.650 -13.793 14.036 1.00 0.00 C ATOM 1252 NZ LYS A 87 -0.673 -14.961 14.959 1.00 0.00 N ATOM 0 H LYS A 87 -0.991 -13.440 7.961 1.00 0.00 H new ATOM 0 HA LYS A 87 1.099 -12.129 9.577 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.357 -14.728 10.100 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.303 -14.525 10.626 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.283 -12.247 11.646 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.187 -13.202 11.625 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.467 -15.048 12.698 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.324 -13.608 13.211 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.396 -12.893 14.596 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.646 -13.639 13.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.365 -14.792 15.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.940 -15.816 14.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.271 -15.093 15.376 1.00 0.00 H new ATOM 1266 N LEU A 88 2.890 -13.377 8.353 1.00 0.00 N ATOM 1267 CA LEU A 88 3.913 -13.939 7.477 1.00 0.00 C ATOM 1268 C LEU A 88 5.017 -14.608 8.290 1.00 0.00 C ATOM 1269 O LEU A 88 5.804 -13.937 8.958 1.00 0.00 O ATOM 1270 CB LEU A 88 4.510 -12.845 6.590 1.00 0.00 C ATOM 1271 CG LEU A 88 5.071 -13.305 5.244 1.00 0.00 C ATOM 1272 CD1 LEU A 88 3.985 -13.290 4.180 1.00 0.00 C ATOM 1273 CD2 LEU A 88 6.241 -12.426 4.826 1.00 0.00 C ATOM 0 H LEU A 88 3.245 -12.723 9.051 1.00 0.00 H new ATOM 0 HA LEU A 88 3.442 -14.693 6.846 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.740 -12.096 6.403 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.308 -12.351 7.144 1.00 0.00 H new ATOM 0 HG LEU A 88 5.431 -14.328 5.352 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.403 -13.620 3.229 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.178 -13.961 4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.595 -12.278 4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.628 -12.768 3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.906 -11.393 4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.029 -12.487 5.577 1.00 0.00 H new ATOM 1285 N ASP A 89 5.070 -15.934 8.226 1.00 0.00 N ATOM 1286 CA ASP A 89 6.079 -16.695 8.953 1.00 0.00 C ATOM 1287 C ASP A 89 5.937 -16.488 10.458 1.00 0.00 C ATOM 1288 O ASP A 89 6.912 -16.577 11.202 1.00 0.00 O ATOM 1289 CB ASP A 89 7.482 -16.286 8.500 1.00 0.00 C ATOM 1290 CG ASP A 89 7.679 -16.453 7.006 1.00 0.00 C ATOM 1291 OD1 ASP A 89 7.249 -15.559 6.247 1.00 0.00 O ATOM 1292 OD2 ASP A 89 8.265 -17.476 6.596 1.00 0.00 O ATOM 0 H ASP A 89 4.426 -16.504 7.678 1.00 0.00 H new ATOM 0 HA ASP A 89 5.928 -17.752 8.734 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.660 -15.246 8.773 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.221 -16.886 9.030 1.00 0.00 H new ATOM 1297 N GLY A 90 4.714 -16.208 10.899 1.00 0.00 N ATOM 1298 CA GLY A 90 4.467 -15.991 12.312 1.00 0.00 C ATOM 1299 C GLY A 90 4.692 -14.550 12.726 1.00 0.00 C ATOM 1300 O GLY A 90 5.007 -14.271 13.882 1.00 0.00 O ATOM 0 H GLY A 90 3.890 -16.128 10.303 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.442 -16.277 12.546 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.120 -16.640 12.896 1.00 0.00 H new ATOM 1304 N ARG A 91 4.531 -13.632 11.778 1.00 0.00 N ATOM 1305 CA ARG A 91 4.722 -12.213 12.049 1.00 0.00 C ATOM 1306 C ARG A 91 3.479 -11.414 11.666 1.00 0.00 C ATOM 1307 O ARG A 91 2.959 -11.551 10.559 1.00 0.00 O ATOM 1308 CB ARG A 91 5.936 -11.684 11.284 1.00 0.00 C ATOM 1309 CG ARG A 91 7.216 -12.453 11.566 1.00 0.00 C ATOM 1310 CD ARG A 91 7.984 -11.849 12.732 1.00 0.00 C ATOM 1311 NE ARG A 91 7.520 -12.364 14.018 1.00 0.00 N ATOM 1312 CZ ARG A 91 8.192 -12.214 15.154 1.00 0.00 C ATOM 1313 NH1 ARG A 91 9.350 -11.568 15.164 1.00 0.00 N ATOM 1314 NH2 ARG A 91 7.705 -12.711 16.284 1.00 0.00 N ATOM 0 H ARG A 91 4.269 -13.846 10.816 1.00 0.00 H new ATOM 0 HA ARG A 91 4.895 -12.094 13.119 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.727 -11.723 10.215 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.088 -10.636 11.541 1.00 0.00 H new ATOM 0 HG2 ARG A 91 6.976 -13.493 11.787 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.845 -12.453 10.676 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.046 -12.065 12.617 1.00 0.00 H new ATOM 0 HD3 ARG A 91 7.875 -10.765 12.715 1.00 0.00 H new ATOM 0 HE ARG A 91 6.632 -12.866 14.045 1.00 0.00 H new ATOM 0 HH11 ARG A 91 9.727 -11.184 14.298 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.863 -11.455 16.038 1.00 0.00 H new ATOM 0 HH21 ARG A 91 6.814 -13.208 16.280 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.221 -12.596 17.156 1.00 0.00 H new ATOM 1328 N GLN A 92 3.009 -10.583 12.590 1.00 0.00 N ATOM 1329 CA GLN A 92 1.826 -9.764 12.349 1.00 0.00 C ATOM 1330 C GLN A 92 2.158 -8.581 11.445 1.00 0.00 C ATOM 1331 O GLN A 92 2.800 -7.621 11.871 1.00 0.00 O ATOM 1332 CB GLN A 92 1.249 -9.262 13.674 1.00 0.00 C ATOM 1333 CG GLN A 92 -0.229 -8.913 13.601 1.00 0.00 C ATOM 1334 CD GLN A 92 -1.077 -10.069 13.111 1.00 0.00 C ATOM 1335 OE1 GLN A 92 -1.265 -11.060 13.817 1.00 0.00 O ATOM 1336 NE2 GLN A 92 -1.597 -9.949 11.894 1.00 0.00 N ATOM 0 H GLN A 92 3.428 -10.459 13.512 1.00 0.00 H new ATOM 0 HA GLN A 92 1.082 -10.383 11.848 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.396 -10.026 14.437 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.806 -8.381 13.993 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.575 -8.606 14.588 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.365 -8.060 12.936 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.416 -9.110 11.342 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.177 -10.696 11.511 1.00 0.00 H new ATOM 1345 N LEU A 93 1.717 -8.658 10.194 1.00 0.00 N ATOM 1346 CA LEU A 93 1.967 -7.594 9.228 1.00 0.00 C ATOM 1347 C LEU A 93 0.984 -6.443 9.419 1.00 0.00 C ATOM 1348 O LEU A 93 -0.229 -6.648 9.455 1.00 0.00 O ATOM 1349 CB LEU A 93 1.863 -8.138 7.802 1.00 0.00 C ATOM 1350 CG LEU A 93 2.543 -9.483 7.546 1.00 0.00 C ATOM 1351 CD1 LEU A 93 2.143 -10.033 6.185 1.00 0.00 C ATOM 1352 CD2 LEU A 93 4.055 -9.344 7.644 1.00 0.00 C ATOM 0 H LEU A 93 1.185 -9.446 9.825 1.00 0.00 H new ATOM 0 HA LEU A 93 2.976 -7.216 9.393 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.808 -8.233 7.547 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.291 -7.402 7.121 1.00 0.00 H new ATOM 0 HG LEU A 93 2.213 -10.186 8.311 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.637 -10.991 6.020 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.062 -10.171 6.152 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.443 -9.331 5.407 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.522 -10.311 7.459 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.403 -8.625 6.902 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.325 -8.996 8.641 1.00 0.00 H new ATOM 1364 N LYS A 94 1.516 -5.232 9.538 1.00 0.00 N ATOM 1365 CA LYS A 94 0.687 -4.046 9.721 1.00 0.00 C ATOM 1366 C LYS A 94 0.660 -3.200 8.453 1.00 0.00 C ATOM 1367 O LYS A 94 1.618 -2.490 8.148 1.00 0.00 O ATOM 1368 CB LYS A 94 1.206 -3.211 10.894 1.00 0.00 C ATOM 1369 CG LYS A 94 0.575 -3.575 12.226 1.00 0.00 C ATOM 1370 CD LYS A 94 1.098 -2.695 13.350 1.00 0.00 C ATOM 1371 CE LYS A 94 0.760 -3.274 14.715 1.00 0.00 C ATOM 1372 NZ LYS A 94 1.782 -2.918 15.737 1.00 0.00 N ATOM 0 H LYS A 94 2.518 -5.045 9.511 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.329 -4.374 9.939 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.286 -3.335 10.967 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.019 -2.157 10.689 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.508 -3.473 12.157 1.00 0.00 H new ATOM 0 HG3 LYS A 94 0.783 -4.620 12.454 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.179 -2.588 13.257 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.670 -1.697 13.261 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.216 -2.907 15.034 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.683 -4.359 14.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.590 -3.440 16.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.728 -3.169 15.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.743 -1.896 15.925 1.00 0.00 H new ATOM 1386 N VAL A 95 -0.445 -3.278 7.718 1.00 0.00 N ATOM 1387 CA VAL A 95 -0.597 -2.517 6.483 1.00 0.00 C ATOM 1388 C VAL A 95 -1.381 -1.232 6.724 1.00 0.00 C ATOM 1389 O VAL A 95 -2.513 -1.264 7.208 1.00 0.00 O ATOM 1390 CB VAL A 95 -1.311 -3.345 5.398 1.00 0.00 C ATOM 1391 CG1 VAL A 95 -1.379 -2.568 4.092 1.00 0.00 C ATOM 1392 CG2 VAL A 95 -0.608 -4.679 5.198 1.00 0.00 C ATOM 0 H VAL A 95 -1.248 -3.860 7.956 1.00 0.00 H new ATOM 0 HA VAL A 95 0.407 -2.268 6.138 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.331 -3.543 5.729 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.887 -3.169 3.337 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.930 -1.641 4.249 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.369 -2.337 3.753 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.126 -5.251 4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.423 -4.504 4.889 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.617 -5.239 6.133 1.00 0.00 H new ATOM 1402 N ASP A 96 -0.772 -0.102 6.382 1.00 0.00 N ATOM 1403 CA ASP A 96 -1.413 1.196 6.559 1.00 0.00 C ATOM 1404 C ASP A 96 -1.169 2.092 5.349 1.00 0.00 C ATOM 1405 O ASP A 96 -0.101 2.051 4.737 1.00 0.00 O ATOM 1406 CB ASP A 96 -0.894 1.877 7.827 1.00 0.00 C ATOM 1407 CG ASP A 96 -1.237 3.353 7.873 1.00 0.00 C ATOM 1408 OD1 ASP A 96 -2.326 3.694 8.380 1.00 0.00 O ATOM 1409 OD2 ASP A 96 -0.415 4.167 7.403 1.00 0.00 O ATOM 0 H ASP A 96 0.165 -0.058 5.981 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.486 1.033 6.657 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -1.316 1.381 8.701 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.188 1.756 7.884 1.00 0.00 H new ATOM 1414 N LEU A 97 -2.166 2.902 5.008 1.00 0.00 N ATOM 1415 CA LEU A 97 -2.060 3.808 3.870 1.00 0.00 C ATOM 1416 C LEU A 97 -0.933 4.815 4.078 1.00 0.00 C ATOM 1417 O LEU A 97 -1.098 5.809 4.784 1.00 0.00 O ATOM 1418 CB LEU A 97 -3.384 4.544 3.655 1.00 0.00 C ATOM 1419 CG LEU A 97 -3.529 5.290 2.328 1.00 0.00 C ATOM 1420 CD1 LEU A 97 -2.191 5.867 1.890 1.00 0.00 C ATOM 1421 CD2 LEU A 97 -4.090 4.367 1.256 1.00 0.00 C ATOM 0 H LEU A 97 -3.056 2.950 5.503 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.833 3.215 2.984 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.196 3.821 3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.515 5.259 4.467 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.227 6.115 2.472 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.314 6.394 0.944 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.829 6.562 2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.470 5.059 1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.186 4.915 0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.416 3.522 1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.069 4.003 1.566 1.00 0.00 H new ATOM 1433 N ALA A 98 0.211 4.550 3.457 1.00 0.00 N ATOM 1434 CA ALA A 98 1.364 5.435 3.570 1.00 0.00 C ATOM 1435 C ALA A 98 1.280 6.578 2.565 1.00 0.00 C ATOM 1436 O ALA A 98 0.289 6.716 1.847 1.00 0.00 O ATOM 1437 CB ALA A 98 2.653 4.650 3.374 1.00 0.00 C ATOM 0 H ALA A 98 0.365 3.730 2.870 1.00 0.00 H new ATOM 0 HA ALA A 98 1.363 5.866 4.571 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.506 5.323 3.461 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.725 3.873 4.135 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.653 4.191 2.385 1.00 0.00 H new ATOM 1443 N VAL A 99 2.326 7.397 2.519 1.00 0.00 N ATOM 1444 CA VAL A 99 2.370 8.529 1.601 1.00 0.00 C ATOM 1445 C VAL A 99 3.730 8.631 0.918 1.00 0.00 C ATOM 1446 O VAL A 99 4.771 8.481 1.558 1.00 0.00 O ATOM 1447 CB VAL A 99 2.073 9.854 2.328 1.00 0.00 C ATOM 1448 CG1 VAL A 99 2.214 11.031 1.374 1.00 0.00 C ATOM 1449 CG2 VAL A 99 0.684 9.822 2.947 1.00 0.00 C ATOM 0 H VAL A 99 3.154 7.298 3.106 1.00 0.00 H new ATOM 0 HA VAL A 99 1.601 8.355 0.849 1.00 0.00 H new ATOM 0 HB VAL A 99 2.801 9.979 3.130 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.000 11.958 1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 99 3.231 11.063 0.983 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.512 10.916 0.548 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.491 10.766 3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.060 9.673 2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.624 9.004 3.664 1.00 0.00 H new