USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 402 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 25 TYR OH : rot 130:sc= -1.26 USER MOD Set 1.2: A 29 ASN : amide:sc= -0.268 K(o=-1.5,f=-2.5!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.0381 X(o=-0.038,f=0) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -1.91! K(o=-1.9!,f=-0.99) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -147:sc= -1.1 (180deg=-2.64!) USER MOD Single : A 23 LYS NZ :NH3+ -150:sc=-0.00632 (180deg=-0.819) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -1.88! K(o=-1.9!,f=-0.56) USER MOD Single : A 31 ASN : amide:sc= -0.201 K(o=-0.2,f=-4.1!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -63:sc= 0.467 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -3.36! C(o=-3.4!,f=-7.1!) USER MOD Single : A 56 GLN : amide:sc= -0.0232 K(o=-0.023,f=-1.8!) USER MOD Single : A 57 ASN : amide:sc= -1.81! K(o=-1.8!,f=-0.64) USER MOD ----------------------------------------------------------------- ATOM 178 N PHE A 14 -12.607 -1.073 -0.624 1.00 0.00 N ATOM 179 CA PHE A 14 -12.134 -1.646 0.630 1.00 0.00 C ATOM 180 C PHE A 14 -12.811 -0.977 1.823 1.00 0.00 C ATOM 181 O PHE A 14 -13.402 0.096 1.695 1.00 0.00 O ATOM 182 CB PHE A 14 -10.615 -1.498 0.743 1.00 0.00 C ATOM 183 CG PHE A 14 -9.869 -2.072 -0.428 1.00 0.00 C ATOM 184 CD1 PHE A 14 -9.745 -3.444 -0.582 1.00 0.00 C ATOM 185 CD2 PHE A 14 -9.291 -1.240 -1.373 1.00 0.00 C ATOM 186 CE1 PHE A 14 -9.059 -3.975 -1.658 1.00 0.00 C ATOM 187 CE2 PHE A 14 -8.604 -1.766 -2.451 1.00 0.00 C ATOM 188 CZ PHE A 14 -8.488 -3.134 -2.594 1.00 0.00 C ATOM 0 HA PHE A 14 -12.390 -2.705 0.635 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.367 -0.441 0.839 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.277 -1.989 1.655 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -10.189 -4.105 0.147 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.378 -0.169 -1.266 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.969 -5.046 -1.767 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.158 -1.107 -3.181 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.952 -3.546 -3.436 1.00 0.00 H new ATOM 198 N LYS A 15 -12.721 -1.618 2.983 1.00 0.00 N ATOM 199 CA LYS A 15 -13.324 -1.087 4.200 1.00 0.00 C ATOM 200 C LYS A 15 -12.364 -0.140 4.914 1.00 0.00 C ATOM 201 O LYS A 15 -11.214 0.020 4.503 1.00 0.00 O ATOM 202 CB LYS A 15 -13.721 -2.229 5.138 1.00 0.00 C ATOM 203 CG LYS A 15 -14.594 -3.283 4.477 1.00 0.00 C ATOM 204 CD LYS A 15 -16.029 -2.808 4.333 1.00 0.00 C ATOM 205 CE LYS A 15 -16.832 -3.724 3.422 1.00 0.00 C ATOM 206 NZ LYS A 15 -17.351 -4.914 4.151 1.00 0.00 N ATOM 0 H LYS A 15 -12.236 -2.507 3.106 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.217 -0.529 3.919 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.818 -2.705 5.520 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.251 -1.816 5.996 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.190 -3.527 3.494 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.570 -4.199 5.068 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.500 -2.767 5.315 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.039 -1.795 3.932 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.666 -3.169 2.992 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.206 -4.051 2.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.893 -5.513 3.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.554 -5.458 4.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.969 -4.603 4.927 1.00 0.00 H new ATOM 220 N HIS A 16 -12.843 0.485 5.984 1.00 0.00 N ATOM 221 CA HIS A 16 -12.026 1.414 6.757 1.00 0.00 C ATOM 222 C HIS A 16 -11.298 0.690 7.884 1.00 0.00 C ATOM 223 O HIS A 16 -10.361 1.226 8.477 1.00 0.00 O ATOM 224 CB HIS A 16 -12.895 2.535 7.331 1.00 0.00 C ATOM 225 CG HIS A 16 -13.260 3.585 6.328 1.00 0.00 C ATOM 226 ND1 HIS A 16 -14.501 4.183 6.282 1.00 0.00 N ATOM 227 CD2 HIS A 16 -12.536 4.144 5.329 1.00 0.00 C ATOM 228 CE1 HIS A 16 -14.526 5.064 5.297 1.00 0.00 C ATOM 229 NE2 HIS A 16 -13.346 5.060 4.704 1.00 0.00 N ATOM 0 H HIS A 16 -13.793 0.365 6.336 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.282 1.848 6.089 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.808 2.102 7.740 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.366 3.005 8.160 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -11.513 3.913 5.072 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -15.368 5.682 5.024 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -13.079 5.643 3.910 1.00 0.00 H new ATOM 238 N HIS A 17 -11.734 -0.531 8.176 1.00 0.00 N ATOM 239 CA HIS A 17 -11.123 -1.329 9.233 1.00 0.00 C ATOM 240 C HIS A 17 -9.835 -1.984 8.744 1.00 0.00 C ATOM 241 O HIS A 17 -8.748 -1.673 9.226 1.00 0.00 O ATOM 242 CB HIS A 17 -12.100 -2.399 9.723 1.00 0.00 C ATOM 243 CG HIS A 17 -13.021 -1.919 10.802 1.00 0.00 C ATOM 244 ND1 HIS A 17 -12.625 -1.758 12.113 1.00 0.00 N ATOM 245 CD2 HIS A 17 -14.327 -1.565 10.759 1.00 0.00 C ATOM 246 CE1 HIS A 17 -13.648 -1.326 12.830 1.00 0.00 C ATOM 247 NE2 HIS A 17 -14.693 -1.200 12.031 1.00 0.00 N ATOM 0 H HIS A 17 -12.508 -0.990 7.696 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.879 -0.664 10.062 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.694 -2.751 8.879 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -11.534 -3.254 10.093 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -14.963 -1.569 9.886 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -13.632 -1.112 13.889 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -15.621 -0.883 12.313 1.00 0.00 H new ATOM 256 N GLN A 18 -9.968 -2.895 7.784 1.00 0.00 N ATOM 257 CA GLN A 18 -8.815 -3.594 7.231 1.00 0.00 C ATOM 258 C GLN A 18 -7.749 -2.607 6.767 1.00 0.00 C ATOM 259 O GLN A 18 -6.576 -2.731 7.122 1.00 0.00 O ATOM 260 CB GLN A 18 -9.243 -4.485 6.063 1.00 0.00 C ATOM 261 CG GLN A 18 -10.448 -3.954 5.304 1.00 0.00 C ATOM 262 CD GLN A 18 -10.436 -4.351 3.841 1.00 0.00 C ATOM 263 OE1 GLN A 18 -11.132 -5.281 3.432 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.645 -3.645 3.042 1.00 0.00 N ATOM 0 H GLN A 18 -10.862 -3.165 7.374 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.390 -4.217 8.018 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.407 -4.591 5.372 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.472 -5.481 6.442 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.360 -4.327 5.770 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.472 -2.867 5.382 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.085 -2.882 3.423 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.597 -3.865 2.047 1.00 0.00 H new ATOM 273 N LEU A 19 -8.165 -1.626 5.973 1.00 0.00 N ATOM 274 CA LEU A 19 -7.246 -0.616 5.460 1.00 0.00 C ATOM 275 C LEU A 19 -6.427 0.001 6.590 1.00 0.00 C ATOM 276 O LEU A 19 -5.205 0.117 6.494 1.00 0.00 O ATOM 277 CB LEU A 19 -8.019 0.477 4.720 1.00 0.00 C ATOM 278 CG LEU A 19 -8.235 0.249 3.223 1.00 0.00 C ATOM 279 CD1 LEU A 19 -8.941 1.442 2.598 1.00 0.00 C ATOM 280 CD2 LEU A 19 -6.907 -0.012 2.527 1.00 0.00 C ATOM 0 H LEU A 19 -9.132 -1.509 5.671 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.562 -1.103 4.765 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.994 0.590 5.195 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.490 1.421 4.851 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.868 -0.629 3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.086 1.262 1.533 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.910 1.584 3.077 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.334 2.337 2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.079 -0.172 1.463 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.250 0.847 2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.439 -0.898 2.956 1.00 0.00 H new ATOM 292 N ARG A 20 -7.109 0.392 7.661 1.00 0.00 N ATOM 293 CA ARG A 20 -6.446 0.996 8.811 1.00 0.00 C ATOM 294 C ARG A 20 -5.141 0.271 9.128 1.00 0.00 C ATOM 295 O ARG A 20 -4.118 0.901 9.397 1.00 0.00 O ATOM 296 CB ARG A 20 -7.368 0.968 10.031 1.00 0.00 C ATOM 297 CG ARG A 20 -6.844 1.774 11.209 1.00 0.00 C ATOM 298 CD ARG A 20 -7.148 3.256 11.047 1.00 0.00 C ATOM 299 NE ARG A 20 -6.703 4.034 12.200 1.00 0.00 N ATOM 300 CZ ARG A 20 -5.444 4.414 12.388 1.00 0.00 C ATOM 301 NH1 ARG A 20 -4.511 4.089 11.504 1.00 0.00 N ATOM 302 NH2 ARG A 20 -5.117 5.121 13.462 1.00 0.00 N ATOM 0 H ARG A 20 -8.120 0.302 7.757 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.215 2.032 8.563 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.347 1.353 9.745 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.511 -0.066 10.344 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.294 1.407 12.132 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.767 1.630 11.300 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.660 3.630 10.147 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.220 3.393 10.909 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.397 4.300 12.899 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.759 3.546 10.677 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -3.545 4.382 11.651 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.832 5.373 14.144 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.150 5.412 13.606 1.00 0.00 H new ATOM 316 N THR A 21 -5.185 -1.057 9.096 1.00 0.00 N ATOM 317 CA THR A 21 -4.009 -1.868 9.381 1.00 0.00 C ATOM 318 C THR A 21 -2.986 -1.769 8.255 1.00 0.00 C ATOM 319 O THR A 21 -1.788 -1.638 8.502 1.00 0.00 O ATOM 320 CB THR A 21 -4.382 -3.348 9.591 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.330 -3.467 10.658 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.148 -4.179 9.906 1.00 0.00 C ATOM 0 H THR A 21 -6.024 -1.594 8.875 1.00 0.00 H new ATOM 0 HA THR A 21 -3.573 -1.477 10.300 1.00 0.00 H new ATOM 0 HB THR A 21 -4.825 -3.723 8.668 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.564 -4.410 10.784 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.437 -5.220 10.050 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.442 -4.110 9.079 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.679 -3.804 10.816 1.00 0.00 H new ATOM 330 N MET A 22 -3.467 -1.831 7.017 1.00 0.00 N ATOM 331 CA MET A 22 -2.593 -1.747 5.853 1.00 0.00 C ATOM 332 C MET A 22 -1.962 -0.362 5.748 1.00 0.00 C ATOM 333 O MET A 22 -0.746 -0.211 5.875 1.00 0.00 O ATOM 334 CB MET A 22 -3.377 -2.061 4.577 1.00 0.00 C ATOM 335 CG MET A 22 -3.496 -3.548 4.288 1.00 0.00 C ATOM 336 SD MET A 22 -3.712 -3.900 2.533 1.00 0.00 S ATOM 337 CE MET A 22 -5.401 -3.359 2.284 1.00 0.00 C ATOM 0 H MET A 22 -4.457 -1.939 6.795 1.00 0.00 H new ATOM 0 HA MET A 22 -1.797 -2.482 5.972 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.377 -1.634 4.660 1.00 0.00 H new ATOM 0 HB3 MET A 22 -2.891 -1.573 3.732 1.00 0.00 H new ATOM 0 HG2 MET A 22 -2.602 -4.057 4.649 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.341 -3.955 4.843 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.876 -3.984 1.528 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.951 -3.442 3.221 1.00 0.00 H new ATOM 0 HE3 MET A 22 -5.405 -2.321 1.951 1.00 0.00 H new ATOM 347 N LYS A 23 -2.793 0.647 5.513 1.00 0.00 N ATOM 348 CA LYS A 23 -2.317 2.019 5.392 1.00 0.00 C ATOM 349 C LYS A 23 -1.298 2.340 6.480 1.00 0.00 C ATOM 350 O LYS A 23 -0.222 2.869 6.200 1.00 0.00 O ATOM 351 CB LYS A 23 -3.491 2.998 5.473 1.00 0.00 C ATOM 352 CG LYS A 23 -4.443 2.905 4.293 1.00 0.00 C ATOM 353 CD LYS A 23 -5.828 3.415 4.651 1.00 0.00 C ATOM 354 CE LYS A 23 -5.915 4.928 4.528 1.00 0.00 C ATOM 355 NZ LYS A 23 -5.359 5.616 5.726 1.00 0.00 N ATOM 0 H LYS A 23 -3.801 0.540 5.402 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.831 2.123 4.422 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.046 2.811 6.392 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.102 4.014 5.536 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.046 3.483 3.458 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.511 1.869 3.960 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.567 2.953 3.997 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.074 3.117 5.670 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.373 5.252 3.639 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.956 5.222 4.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.852 6.521 5.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.492 5.015 6.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.344 5.793 5.585 1.00 0.00 H new ATOM 369 N SER A 24 -1.644 2.017 7.722 1.00 0.00 N ATOM 370 CA SER A 24 -0.759 2.273 8.853 1.00 0.00 C ATOM 371 C SER A 24 0.597 1.607 8.644 1.00 0.00 C ATOM 372 O SER A 24 1.640 2.190 8.940 1.00 0.00 O ATOM 373 CB SER A 24 -1.395 1.766 10.150 1.00 0.00 C ATOM 374 OG SER A 24 -0.622 2.139 11.277 1.00 0.00 O ATOM 0 H SER A 24 -2.530 1.578 7.971 1.00 0.00 H new ATOM 0 HA SER A 24 -0.607 3.350 8.927 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.403 2.170 10.247 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.489 0.681 10.113 1.00 0.00 H new ATOM 0 HG SER A 24 -1.050 1.805 12.093 1.00 0.00 H new ATOM 380 N TYR A 25 0.574 0.381 8.132 1.00 0.00 N ATOM 381 CA TYR A 25 1.801 -0.367 7.885 1.00 0.00 C ATOM 382 C TYR A 25 2.636 0.302 6.797 1.00 0.00 C ATOM 383 O TYR A 25 3.857 0.419 6.919 1.00 0.00 O ATOM 384 CB TYR A 25 1.474 -1.805 7.481 1.00 0.00 C ATOM 385 CG TYR A 25 2.693 -2.689 7.348 1.00 0.00 C ATOM 386 CD1 TYR A 25 3.542 -2.575 6.253 1.00 0.00 C ATOM 387 CD2 TYR A 25 2.998 -3.637 8.317 1.00 0.00 C ATOM 388 CE1 TYR A 25 4.658 -3.382 6.128 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.111 -4.446 8.201 1.00 0.00 C ATOM 390 CZ TYR A 25 4.937 -4.315 7.104 1.00 0.00 C ATOM 391 OH TYR A 25 6.048 -5.119 6.983 1.00 0.00 O ATOM 0 H TYR A 25 -0.281 -0.115 7.880 1.00 0.00 H new ATOM 0 HA TYR A 25 2.381 -0.380 8.808 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.801 -2.237 8.222 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.938 -1.794 6.532 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.326 -1.844 5.488 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.353 -3.743 9.177 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.307 -3.282 5.271 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.333 -5.177 8.964 1.00 0.00 H new ATOM 0 HH TYR A 25 6.562 -5.094 7.817 1.00 0.00 H new ATOM 401 N PHE A 26 1.970 0.740 5.734 1.00 0.00 N ATOM 402 CA PHE A 26 2.650 1.396 4.623 1.00 0.00 C ATOM 403 C PHE A 26 3.689 2.391 5.133 1.00 0.00 C ATOM 404 O PHE A 26 4.743 2.570 4.523 1.00 0.00 O ATOM 405 CB PHE A 26 1.636 2.113 3.729 1.00 0.00 C ATOM 406 CG PHE A 26 2.267 2.875 2.598 1.00 0.00 C ATOM 407 CD1 PHE A 26 3.068 2.228 1.672 1.00 0.00 C ATOM 408 CD2 PHE A 26 2.058 4.238 2.463 1.00 0.00 C ATOM 409 CE1 PHE A 26 3.649 2.927 0.630 1.00 0.00 C ATOM 410 CE2 PHE A 26 2.637 4.941 1.424 1.00 0.00 C ATOM 411 CZ PHE A 26 3.434 4.285 0.506 1.00 0.00 C ATOM 0 H PHE A 26 0.960 0.653 5.618 1.00 0.00 H new ATOM 0 HA PHE A 26 3.161 0.631 4.039 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.942 1.379 3.319 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.050 2.801 4.338 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.241 1.166 1.765 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.436 4.756 3.178 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.271 2.411 -0.087 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.467 6.003 1.330 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.888 4.833 -0.307 1.00 0.00 H new ATOM 421 N ALA A 27 3.382 3.036 6.253 1.00 0.00 N ATOM 422 CA ALA A 27 4.288 4.012 6.846 1.00 0.00 C ATOM 423 C ALA A 27 5.431 3.322 7.583 1.00 0.00 C ATOM 424 O ALA A 27 6.565 3.803 7.576 1.00 0.00 O ATOM 425 CB ALA A 27 3.528 4.932 7.789 1.00 0.00 C ATOM 0 H ALA A 27 2.512 2.900 6.768 1.00 0.00 H new ATOM 0 HA ALA A 27 4.717 4.609 6.042 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.217 5.656 8.225 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.751 5.459 7.236 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.071 4.342 8.584 1.00 0.00 H new ATOM 431 N ILE A 28 5.126 2.195 8.217 1.00 0.00 N ATOM 432 CA ILE A 28 6.129 1.440 8.957 1.00 0.00 C ATOM 433 C ILE A 28 7.136 0.790 8.015 1.00 0.00 C ATOM 434 O ILE A 28 8.345 0.915 8.200 1.00 0.00 O ATOM 435 CB ILE A 28 5.480 0.349 9.830 1.00 0.00 C ATOM 436 CG1 ILE A 28 4.448 0.967 10.775 1.00 0.00 C ATOM 437 CG2 ILE A 28 6.545 -0.400 10.618 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.600 -0.057 11.497 1.00 0.00 C ATOM 0 H ILE A 28 4.192 1.785 8.233 1.00 0.00 H new ATOM 0 HA ILE A 28 6.647 2.151 9.601 1.00 0.00 H new ATOM 0 HB ILE A 28 4.969 -0.360 9.179 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.964 1.583 11.511 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.797 1.630 10.205 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.072 -1.168 11.230 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.247 -0.868 9.928 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.080 0.298 11.261 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.891 0.453 12.149 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.056 -0.658 10.768 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.242 -0.705 12.094 1.00 0.00 H new ATOM 450 N ASN A 29 6.626 0.097 7.001 1.00 0.00 N ATOM 451 CA ASN A 29 7.480 -0.573 6.028 1.00 0.00 C ATOM 452 C ASN A 29 6.830 -0.582 4.647 1.00 0.00 C ATOM 453 O ASN A 29 5.763 -1.166 4.456 1.00 0.00 O ATOM 454 CB ASN A 29 7.773 -2.007 6.475 1.00 0.00 C ATOM 455 CG ASN A 29 8.974 -2.601 5.763 1.00 0.00 C ATOM 456 OD1 ASN A 29 9.905 -1.887 5.393 1.00 0.00 O ATOM 457 ND2 ASN A 29 8.955 -3.914 5.569 1.00 0.00 N ATOM 0 H ASN A 29 5.626 -0.015 6.833 1.00 0.00 H new ATOM 0 HA ASN A 29 8.418 -0.021 5.965 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.948 -2.021 7.551 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.898 -2.629 6.287 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.734 -4.371 5.096 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.161 -4.466 5.893 1.00 0.00 H new ATOM 464 N HIS A 30 7.481 0.070 3.688 1.00 0.00 N ATOM 465 CA HIS A 30 6.966 0.136 2.325 1.00 0.00 C ATOM 466 C HIS A 30 7.102 -1.213 1.627 1.00 0.00 C ATOM 467 O HIS A 30 6.225 -1.620 0.866 1.00 0.00 O ATOM 468 CB HIS A 30 7.706 1.212 1.531 1.00 0.00 C ATOM 469 CG HIS A 30 7.344 2.610 1.933 1.00 0.00 C ATOM 470 ND1 HIS A 30 7.323 3.666 1.047 1.00 0.00 N ATOM 471 CD2 HIS A 30 6.987 3.119 3.134 1.00 0.00 C ATOM 472 CE1 HIS A 30 6.971 4.766 1.687 1.00 0.00 C ATOM 473 NE2 HIS A 30 6.760 4.462 2.956 1.00 0.00 N ATOM 0 H HIS A 30 8.365 0.559 3.830 1.00 0.00 H new ATOM 0 HA HIS A 30 5.908 0.394 2.374 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.779 1.072 1.659 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.492 1.081 0.470 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.897 2.571 4.061 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.872 5.748 1.248 1.00 0.00 H new ATOM 0 HE2 HIS A 30 6.475 5.117 3.684 1.00 0.00 H new ATOM 482 N ASN A 31 8.208 -1.902 1.890 1.00 0.00 N ATOM 483 CA ASN A 31 8.460 -3.204 1.285 1.00 0.00 C ATOM 484 C ASN A 31 8.312 -4.320 2.315 1.00 0.00 C ATOM 485 O ASN A 31 9.290 -4.821 2.869 1.00 0.00 O ATOM 486 CB ASN A 31 9.861 -3.243 0.672 1.00 0.00 C ATOM 487 CG ASN A 31 10.019 -2.263 -0.474 1.00 0.00 C ATOM 488 OD1 ASN A 31 9.308 -2.345 -1.476 1.00 0.00 O ATOM 489 ND2 ASN A 31 10.953 -1.331 -0.332 1.00 0.00 N ATOM 0 H ASN A 31 8.944 -1.580 2.518 1.00 0.00 H new ATOM 0 HA ASN A 31 7.722 -3.360 0.498 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.598 -3.018 1.443 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.070 -4.251 0.315 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.105 -0.644 -1.071 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.519 -1.301 0.516 1.00 0.00 H new ATOM 496 N PRO A 32 7.059 -4.720 2.579 1.00 0.00 N ATOM 497 CA PRO A 32 6.753 -5.781 3.543 1.00 0.00 C ATOM 498 C PRO A 32 7.192 -7.156 3.050 1.00 0.00 C ATOM 499 O PRO A 32 6.971 -7.511 1.891 1.00 0.00 O ATOM 500 CB PRO A 32 5.228 -5.719 3.666 1.00 0.00 C ATOM 501 CG PRO A 32 4.768 -5.127 2.378 1.00 0.00 C ATOM 502 CD PRO A 32 5.845 -4.166 1.955 1.00 0.00 C ATOM 0 HA PRO A 32 7.277 -5.637 4.488 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.803 -6.711 3.820 1.00 0.00 H new ATOM 0 HB3 PRO A 32 4.924 -5.106 4.514 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.618 -5.900 1.625 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.814 -4.614 2.503 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.937 -4.117 0.870 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.640 -3.154 2.303 1.00 0.00 H new ATOM 510 N ASP A 33 7.814 -7.925 3.937 1.00 0.00 N ATOM 511 CA ASP A 33 8.283 -9.262 3.592 1.00 0.00 C ATOM 512 C ASP A 33 7.152 -10.280 3.703 1.00 0.00 C ATOM 513 O ASP A 33 6.106 -9.999 4.287 1.00 0.00 O ATOM 514 CB ASP A 33 9.443 -9.669 4.502 1.00 0.00 C ATOM 515 CG ASP A 33 10.776 -9.138 4.013 1.00 0.00 C ATOM 516 OD1 ASP A 33 10.944 -9.000 2.783 1.00 0.00 O ATOM 517 OD2 ASP A 33 11.651 -8.861 4.860 1.00 0.00 O ATOM 0 H ASP A 33 8.005 -7.646 4.899 1.00 0.00 H new ATOM 0 HA ASP A 33 8.631 -9.243 2.559 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.256 -9.300 5.511 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.489 -10.756 4.563 1.00 0.00 H new ATOM 522 N ALA A 34 7.370 -11.463 3.137 1.00 0.00 N ATOM 523 CA ALA A 34 6.370 -12.523 3.173 1.00 0.00 C ATOM 524 C ALA A 34 5.692 -12.591 4.538 1.00 0.00 C ATOM 525 O ALA A 34 4.471 -12.466 4.643 1.00 0.00 O ATOM 526 CB ALA A 34 7.007 -13.862 2.830 1.00 0.00 C ATOM 0 H ALA A 34 8.230 -11.711 2.648 1.00 0.00 H new ATOM 0 HA ALA A 34 5.607 -12.295 2.428 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.249 -14.644 2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.439 -13.814 1.830 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.791 -14.088 3.553 1.00 0.00 H new ATOM 532 N LYS A 35 6.490 -12.793 5.580 1.00 0.00 N ATOM 533 CA LYS A 35 5.969 -12.879 6.939 1.00 0.00 C ATOM 534 C LYS A 35 4.915 -11.804 7.186 1.00 0.00 C ATOM 535 O LYS A 35 3.796 -12.102 7.603 1.00 0.00 O ATOM 536 CB LYS A 35 7.105 -12.737 7.954 1.00 0.00 C ATOM 537 CG LYS A 35 6.625 -12.562 9.385 1.00 0.00 C ATOM 538 CD LYS A 35 5.921 -13.809 9.893 1.00 0.00 C ATOM 539 CE LYS A 35 5.415 -13.623 11.315 1.00 0.00 C ATOM 540 NZ LYS A 35 6.479 -13.887 12.323 1.00 0.00 N ATOM 0 H LYS A 35 7.502 -12.900 5.509 1.00 0.00 H new ATOM 0 HA LYS A 35 5.502 -13.856 7.061 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.742 -13.620 7.899 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.721 -11.881 7.679 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.474 -12.334 10.029 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.946 -11.711 9.441 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.085 -14.049 9.237 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.607 -14.655 9.858 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.043 -12.606 11.438 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.574 -14.293 11.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.093 -13.749 13.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.816 -14.866 12.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.271 -13.231 12.171 1.00 0.00 H new ATOM 554 N ASP A 36 5.280 -10.553 6.925 1.00 0.00 N ATOM 555 CA ASP A 36 4.365 -9.434 7.115 1.00 0.00 C ATOM 556 C ASP A 36 3.125 -9.590 6.240 1.00 0.00 C ATOM 557 O ASP A 36 2.007 -9.318 6.677 1.00 0.00 O ATOM 558 CB ASP A 36 5.068 -8.113 6.797 1.00 0.00 C ATOM 559 CG ASP A 36 6.105 -7.743 7.839 1.00 0.00 C ATOM 560 OD1 ASP A 36 5.710 -7.339 8.952 1.00 0.00 O ATOM 561 OD2 ASP A 36 7.312 -7.856 7.540 1.00 0.00 O ATOM 0 H ASP A 36 6.203 -10.289 6.581 1.00 0.00 H new ATOM 0 HA ASP A 36 4.051 -9.427 8.159 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.548 -8.186 5.821 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.326 -7.317 6.729 1.00 0.00 H new ATOM 566 N LEU A 37 3.332 -10.026 5.004 1.00 0.00 N ATOM 567 CA LEU A 37 2.232 -10.217 4.065 1.00 0.00 C ATOM 568 C LEU A 37 1.228 -11.232 4.602 1.00 0.00 C ATOM 569 O LEU A 37 0.034 -10.948 4.703 1.00 0.00 O ATOM 570 CB LEU A 37 2.766 -10.680 2.709 1.00 0.00 C ATOM 571 CG LEU A 37 3.223 -9.575 1.755 1.00 0.00 C ATOM 572 CD1 LEU A 37 4.068 -10.157 0.631 1.00 0.00 C ATOM 573 CD2 LEU A 37 2.023 -8.828 1.190 1.00 0.00 C ATOM 0 H LEU A 37 4.252 -10.254 4.627 1.00 0.00 H new ATOM 0 HA LEU A 37 1.724 -9.261 3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.606 -11.353 2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.988 -11.261 2.214 1.00 0.00 H new ATOM 0 HG LEU A 37 3.835 -8.868 2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.384 -9.357 -0.038 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.946 -10.646 1.052 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.479 -10.885 0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.367 -8.046 0.513 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.385 -9.524 0.645 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.457 -8.379 2.006 1.00 0.00 H new ATOM 585 N LYS A 38 1.720 -12.417 4.949 1.00 0.00 N ATOM 586 CA LYS A 38 0.869 -13.474 5.480 1.00 0.00 C ATOM 587 C LYS A 38 0.187 -13.027 6.769 1.00 0.00 C ATOM 588 O LYS A 38 -0.945 -13.420 7.051 1.00 0.00 O ATOM 589 CB LYS A 38 1.691 -14.739 5.736 1.00 0.00 C ATOM 590 CG LYS A 38 2.819 -14.539 6.734 1.00 0.00 C ATOM 591 CD LYS A 38 3.418 -15.866 7.171 1.00 0.00 C ATOM 592 CE LYS A 38 4.539 -16.303 6.241 1.00 0.00 C ATOM 593 NZ LYS A 38 5.506 -17.206 6.925 1.00 0.00 N ATOM 0 H LYS A 38 2.705 -12.669 4.872 1.00 0.00 H new ATOM 0 HA LYS A 38 0.099 -13.693 4.740 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.029 -15.525 6.101 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.110 -15.088 4.792 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.595 -13.918 6.288 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.444 -14.003 7.606 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.801 -15.777 8.188 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.640 -16.629 7.189 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.115 -16.813 5.376 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.064 -15.424 5.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.255 -17.482 6.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.929 -16.711 7.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.010 -18.057 7.259 1.00 0.00 H new ATOM 607 N GLN A 39 0.883 -12.205 7.548 1.00 0.00 N ATOM 608 CA GLN A 39 0.344 -11.706 8.806 1.00 0.00 C ATOM 609 C GLN A 39 -0.774 -10.699 8.559 1.00 0.00 C ATOM 610 O GLN A 39 -1.761 -10.656 9.294 1.00 0.00 O ATOM 611 CB GLN A 39 1.452 -11.060 9.640 1.00 0.00 C ATOM 612 CG GLN A 39 2.214 -12.049 10.509 1.00 0.00 C ATOM 613 CD GLN A 39 1.578 -12.239 11.872 1.00 0.00 C ATOM 614 OE1 GLN A 39 0.507 -12.835 11.992 1.00 0.00 O ATOM 615 NE2 GLN A 39 2.236 -11.734 12.909 1.00 0.00 N ATOM 0 H GLN A 39 1.822 -11.871 7.329 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.069 -12.552 9.355 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.154 -10.560 8.972 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.015 -10.291 10.277 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.265 -13.011 9.999 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.239 -11.701 10.636 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.121 -11.247 12.764 1.00 0.00 H new ATOM 0 HE22 GLN A 39 1.857 -11.833 13.851 1.00 0.00 H new ATOM 624 N LEU A 40 -0.614 -9.888 7.518 1.00 0.00 N ATOM 625 CA LEU A 40 -1.610 -8.880 7.172 1.00 0.00 C ATOM 626 C LEU A 40 -2.863 -9.529 6.593 1.00 0.00 C ATOM 627 O LEU A 40 -3.983 -9.130 6.910 1.00 0.00 O ATOM 628 CB LEU A 40 -1.027 -7.883 6.168 1.00 0.00 C ATOM 629 CG LEU A 40 -0.103 -6.811 6.747 1.00 0.00 C ATOM 630 CD1 LEU A 40 0.706 -6.151 5.641 1.00 0.00 C ATOM 631 CD2 LEU A 40 -0.906 -5.772 7.515 1.00 0.00 C ATOM 0 H LEU A 40 0.196 -9.909 6.899 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.886 -8.349 8.083 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.475 -8.440 5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.853 -7.386 5.658 1.00 0.00 H new ATOM 0 HG LEU A 40 0.589 -7.290 7.440 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.358 -5.391 6.071 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.311 -6.903 5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.030 -5.685 4.924 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.232 -5.017 7.920 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.622 -5.297 6.844 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.441 -6.256 8.332 1.00 0.00 H new ATOM 643 N ALA A 41 -2.665 -10.532 5.744 1.00 0.00 N ATOM 644 CA ALA A 41 -3.779 -11.238 5.124 1.00 0.00 C ATOM 645 C ALA A 41 -4.822 -11.637 6.162 1.00 0.00 C ATOM 646 O ALA A 41 -5.980 -11.884 5.827 1.00 0.00 O ATOM 647 CB ALA A 41 -3.277 -12.467 4.379 1.00 0.00 C ATOM 0 H ALA A 41 -1.744 -10.874 5.470 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.253 -10.563 4.411 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.120 -12.984 3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.575 -12.161 3.604 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.776 -13.137 5.078 1.00 0.00 H new ATOM 653 N GLN A 42 -4.403 -11.698 7.422 1.00 0.00 N ATOM 654 CA GLN A 42 -5.303 -12.067 8.508 1.00 0.00 C ATOM 655 C GLN A 42 -5.874 -10.828 9.188 1.00 0.00 C ATOM 656 O GLN A 42 -7.086 -10.701 9.357 1.00 0.00 O ATOM 657 CB GLN A 42 -4.569 -12.934 9.533 1.00 0.00 C ATOM 658 CG GLN A 42 -4.248 -14.332 9.029 1.00 0.00 C ATOM 659 CD GLN A 42 -5.409 -15.293 9.193 1.00 0.00 C ATOM 660 OE1 GLN A 42 -5.564 -15.925 10.238 1.00 0.00 O ATOM 661 NE2 GLN A 42 -6.233 -15.408 8.158 1.00 0.00 N ATOM 0 H GLN A 42 -3.447 -11.497 7.716 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.129 -12.638 8.084 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.641 -12.438 9.818 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.179 -13.012 10.433 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -3.971 -14.280 7.976 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.383 -14.718 9.568 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.067 -14.865 7.311 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.032 -16.040 8.210 1.00 0.00 H new ATOM 670 N LYS A 43 -4.991 -9.915 9.579 1.00 0.00 N ATOM 671 CA LYS A 43 -5.406 -8.683 10.241 1.00 0.00 C ATOM 672 C LYS A 43 -6.459 -7.950 9.416 1.00 0.00 C ATOM 673 O LYS A 43 -7.256 -7.180 9.951 1.00 0.00 O ATOM 674 CB LYS A 43 -4.198 -7.772 10.472 1.00 0.00 C ATOM 675 CG LYS A 43 -3.156 -8.368 11.402 1.00 0.00 C ATOM 676 CD LYS A 43 -2.221 -7.302 11.948 1.00 0.00 C ATOM 677 CE LYS A 43 -0.934 -7.911 12.484 1.00 0.00 C ATOM 678 NZ LYS A 43 -1.179 -8.757 13.686 1.00 0.00 N ATOM 0 H LYS A 43 -3.983 -10.005 9.449 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.844 -8.947 11.204 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.732 -7.550 9.512 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.542 -6.824 10.886 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.653 -8.876 12.229 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.578 -9.121 10.867 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.986 -6.585 11.161 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.722 -6.750 12.743 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.465 -8.513 11.706 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.233 -7.115 12.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.278 -9.154 14.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.603 -8.177 14.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.828 -9.532 13.439 1.00 0.00 H new ATOM 692 N THR A 44 -6.457 -8.195 8.109 1.00 0.00 N ATOM 693 CA THR A 44 -7.411 -7.559 7.211 1.00 0.00 C ATOM 694 C THR A 44 -8.402 -8.574 6.652 1.00 0.00 C ATOM 695 O THR A 44 -9.584 -8.276 6.484 1.00 0.00 O ATOM 696 CB THR A 44 -6.699 -6.857 6.040 1.00 0.00 C ATOM 697 OG1 THR A 44 -6.069 -7.828 5.196 1.00 0.00 O ATOM 698 CG2 THR A 44 -5.658 -5.873 6.552 1.00 0.00 C ATOM 0 H THR A 44 -5.804 -8.830 7.650 1.00 0.00 H new ATOM 0 HA THR A 44 -7.949 -6.815 7.798 1.00 0.00 H new ATOM 0 HB THR A 44 -7.446 -6.308 5.467 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.379 -8.305 5.704 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.168 -5.389 5.707 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.144 -5.118 7.170 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.915 -6.405 7.146 1.00 0.00 H new ATOM 706 N GLY A 45 -7.912 -9.778 6.367 1.00 0.00 N ATOM 707 CA GLY A 45 -8.769 -10.819 5.830 1.00 0.00 C ATOM 708 C GLY A 45 -8.524 -11.068 4.356 1.00 0.00 C ATOM 709 O GLY A 45 -8.871 -12.128 3.831 1.00 0.00 O ATOM 0 H GLY A 45 -6.938 -10.050 6.499 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.604 -11.743 6.384 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.812 -10.540 5.980 1.00 0.00 H new ATOM 713 N LEU A 46 -7.928 -10.090 3.683 1.00 0.00 N ATOM 714 CA LEU A 46 -7.639 -10.208 2.258 1.00 0.00 C ATOM 715 C LEU A 46 -6.640 -11.331 1.996 1.00 0.00 C ATOM 716 O LEU A 46 -6.231 -12.041 2.915 1.00 0.00 O ATOM 717 CB LEU A 46 -7.090 -8.886 1.719 1.00 0.00 C ATOM 718 CG LEU A 46 -7.899 -7.634 2.059 1.00 0.00 C ATOM 719 CD1 LEU A 46 -7.046 -6.386 1.894 1.00 0.00 C ATOM 720 CD2 LEU A 46 -9.145 -7.551 1.190 1.00 0.00 C ATOM 0 H LEU A 46 -7.636 -9.207 4.101 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.569 -10.446 1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.077 -8.754 2.100 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.015 -8.962 0.634 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.212 -7.699 3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.639 -5.505 2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.186 -6.443 2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.701 -6.315 0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.708 -6.654 1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.854 -7.510 0.140 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.766 -8.430 1.360 1.00 0.00 H new ATOM 732 N THR A 47 -6.250 -11.486 0.734 1.00 0.00 N ATOM 733 CA THR A 47 -5.299 -12.522 0.351 1.00 0.00 C ATOM 734 C THR A 47 -3.944 -11.920 -0.003 1.00 0.00 C ATOM 735 O THR A 47 -3.856 -10.771 -0.436 1.00 0.00 O ATOM 736 CB THR A 47 -5.813 -13.340 -0.849 1.00 0.00 C ATOM 737 OG1 THR A 47 -4.941 -14.447 -1.097 1.00 0.00 O ATOM 738 CG2 THR A 47 -5.907 -12.473 -2.096 1.00 0.00 C ATOM 0 H THR A 47 -6.578 -10.907 -0.039 1.00 0.00 H new ATOM 0 HA THR A 47 -5.187 -13.182 1.211 1.00 0.00 H new ATOM 0 HB THR A 47 -6.809 -13.710 -0.607 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.276 -14.963 -1.860 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.272 -13.073 -2.930 1.00 0.00 H new ATOM 0 HG22 THR A 47 -6.595 -11.647 -1.914 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.921 -12.077 -2.339 1.00 0.00 H new ATOM 746 N LYS A 48 -2.887 -12.704 0.183 1.00 0.00 N ATOM 747 CA LYS A 48 -1.534 -12.250 -0.119 1.00 0.00 C ATOM 748 C LYS A 48 -1.512 -11.418 -1.396 1.00 0.00 C ATOM 749 O LYS A 48 -1.044 -10.279 -1.399 1.00 0.00 O ATOM 750 CB LYS A 48 -0.592 -13.448 -0.260 1.00 0.00 C ATOM 751 CG LYS A 48 0.872 -13.096 -0.056 1.00 0.00 C ATOM 752 CD LYS A 48 1.681 -14.309 0.374 1.00 0.00 C ATOM 753 CE LYS A 48 3.172 -14.079 0.184 1.00 0.00 C ATOM 754 NZ LYS A 48 3.972 -15.274 0.573 1.00 0.00 N ATOM 0 H LYS A 48 -2.941 -13.657 0.542 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.194 -11.624 0.706 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.878 -14.212 0.463 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.718 -13.884 -1.251 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.283 -12.693 -0.982 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.958 -12.314 0.698 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.476 -14.532 1.421 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.369 -15.179 -0.204 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.371 -13.832 -0.859 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.486 -13.222 0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.983 -15.077 0.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.802 -15.495 1.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.691 -16.086 -0.013 1.00 0.00 H new ATOM 768 N ARG A 49 -2.022 -11.993 -2.481 1.00 0.00 N ATOM 769 CA ARG A 49 -2.061 -11.303 -3.764 1.00 0.00 C ATOM 770 C ARG A 49 -2.670 -9.912 -3.617 1.00 0.00 C ATOM 771 O ARG A 49 -2.014 -8.905 -3.882 1.00 0.00 O ATOM 772 CB ARG A 49 -2.863 -12.118 -4.781 1.00 0.00 C ATOM 773 CG ARG A 49 -3.163 -11.363 -6.066 1.00 0.00 C ATOM 774 CD ARG A 49 -1.986 -11.408 -7.027 1.00 0.00 C ATOM 775 NE ARG A 49 -1.665 -12.773 -7.434 1.00 0.00 N ATOM 776 CZ ARG A 49 -0.501 -13.126 -7.969 1.00 0.00 C ATOM 777 NH1 ARG A 49 0.447 -12.218 -8.159 1.00 0.00 N ATOM 778 NH2 ARG A 49 -0.283 -14.388 -8.314 1.00 0.00 N ATOM 0 H ARG A 49 -2.414 -12.935 -2.496 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.037 -11.195 -4.121 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.310 -13.026 -5.023 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.803 -12.429 -4.325 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.042 -11.794 -6.545 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.404 -10.326 -5.832 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.215 -10.811 -7.910 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.114 -10.956 -6.554 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.373 -13.495 -7.300 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.283 -11.247 -7.894 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.340 -12.491 -8.570 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -1.009 -15.089 -8.169 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.611 -14.657 -8.725 1.00 0.00 H new ATOM 792 N VAL A 50 -3.929 -9.865 -3.192 1.00 0.00 N ATOM 793 CA VAL A 50 -4.626 -8.597 -3.008 1.00 0.00 C ATOM 794 C VAL A 50 -3.754 -7.592 -2.265 1.00 0.00 C ATOM 795 O VAL A 50 -3.683 -6.420 -2.637 1.00 0.00 O ATOM 796 CB VAL A 50 -5.944 -8.789 -2.235 1.00 0.00 C ATOM 797 CG1 VAL A 50 -6.484 -7.449 -1.760 1.00 0.00 C ATOM 798 CG2 VAL A 50 -6.968 -9.510 -3.096 1.00 0.00 C ATOM 0 H VAL A 50 -4.487 -10.689 -2.969 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.850 -8.212 -4.003 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.743 -9.405 -1.358 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.416 -7.604 -1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.755 -6.975 -1.103 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.669 -6.806 -2.620 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.893 -9.636 -2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.167 -8.923 -3.993 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.580 -10.488 -3.381 1.00 0.00 H new ATOM 808 N LEU A 51 -3.090 -8.059 -1.212 1.00 0.00 N ATOM 809 CA LEU A 51 -2.220 -7.201 -0.415 1.00 0.00 C ATOM 810 C LEU A 51 -1.043 -6.698 -1.244 1.00 0.00 C ATOM 811 O LEU A 51 -0.848 -5.493 -1.394 1.00 0.00 O ATOM 812 CB LEU A 51 -1.709 -7.958 0.811 1.00 0.00 C ATOM 813 CG LEU A 51 -2.779 -8.498 1.761 1.00 0.00 C ATOM 814 CD1 LEU A 51 -2.202 -9.587 2.652 1.00 0.00 C ATOM 815 CD2 LEU A 51 -3.364 -7.373 2.602 1.00 0.00 C ATOM 0 H LEU A 51 -3.138 -9.026 -0.891 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.802 -6.340 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.100 -8.795 0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.052 -7.295 1.375 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.581 -8.932 1.164 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.978 -9.959 3.321 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.833 -10.405 2.034 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.381 -9.178 3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.123 -7.776 3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.572 -6.908 3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.816 -6.627 1.948 1.00 0.00 H new ATOM 827 N GLN A 52 -0.263 -7.631 -1.780 1.00 0.00 N ATOM 828 CA GLN A 52 0.894 -7.282 -2.596 1.00 0.00 C ATOM 829 C GLN A 52 0.549 -6.177 -3.587 1.00 0.00 C ATOM 830 O GLN A 52 1.253 -5.171 -3.683 1.00 0.00 O ATOM 831 CB GLN A 52 1.408 -8.513 -3.345 1.00 0.00 C ATOM 832 CG GLN A 52 2.323 -9.395 -2.511 1.00 0.00 C ATOM 833 CD GLN A 52 3.666 -8.748 -2.237 1.00 0.00 C ATOM 834 OE1 GLN A 52 3.738 -7.650 -1.684 1.00 0.00 O ATOM 835 NE2 GLN A 52 4.740 -9.427 -2.623 1.00 0.00 N ATOM 0 H GLN A 52 -0.411 -8.634 -1.664 1.00 0.00 H new ATOM 0 HA GLN A 52 1.677 -6.917 -1.932 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.557 -9.104 -3.683 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.944 -8.188 -4.236 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.835 -9.625 -1.564 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.479 -10.342 -3.028 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.634 -10.334 -3.078 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.671 -9.042 -2.465 1.00 0.00 H new ATOM 844 N VAL A 53 -0.540 -6.369 -4.325 1.00 0.00 N ATOM 845 CA VAL A 53 -0.980 -5.388 -5.310 1.00 0.00 C ATOM 846 C VAL A 53 -1.316 -4.057 -4.647 1.00 0.00 C ATOM 847 O VAL A 53 -0.651 -3.049 -4.886 1.00 0.00 O ATOM 848 CB VAL A 53 -2.214 -5.887 -6.086 1.00 0.00 C ATOM 849 CG1 VAL A 53 -2.669 -4.842 -7.094 1.00 0.00 C ATOM 850 CG2 VAL A 53 -1.909 -7.208 -6.777 1.00 0.00 C ATOM 0 H VAL A 53 -1.134 -7.196 -4.259 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.154 -5.246 -6.007 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.026 -6.052 -5.378 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.541 -5.212 -7.633 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.928 -3.921 -6.572 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.863 -4.643 -7.801 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.791 -7.546 -7.321 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.083 -7.071 -7.475 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.634 -7.954 -6.031 1.00 0.00 H new ATOM 860 N TRP A 54 -2.350 -4.061 -3.814 1.00 0.00 N ATOM 861 CA TRP A 54 -2.773 -2.852 -3.116 1.00 0.00 C ATOM 862 C TRP A 54 -1.568 -2.027 -2.677 1.00 0.00 C ATOM 863 O TRP A 54 -1.486 -0.832 -2.961 1.00 0.00 O ATOM 864 CB TRP A 54 -3.629 -3.215 -1.900 1.00 0.00 C ATOM 865 CG TRP A 54 -4.138 -2.018 -1.154 1.00 0.00 C ATOM 866 CD1 TRP A 54 -5.375 -1.451 -1.263 1.00 0.00 C ATOM 867 CD2 TRP A 54 -3.422 -1.241 -0.188 1.00 0.00 C ATOM 868 NE1 TRP A 54 -5.472 -0.369 -0.423 1.00 0.00 N ATOM 869 CE2 TRP A 54 -4.287 -0.219 0.249 1.00 0.00 C ATOM 870 CE3 TRP A 54 -2.134 -1.311 0.352 1.00 0.00 C ATOM 871 CZ2 TRP A 54 -3.904 0.724 1.199 1.00 0.00 C ATOM 872 CZ3 TRP A 54 -1.756 -0.374 1.294 1.00 0.00 C ATOM 873 CH2 TRP A 54 -2.639 0.632 1.710 1.00 0.00 C ATOM 0 H TRP A 54 -2.911 -4.887 -3.605 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.368 -2.253 -3.805 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.476 -3.817 -2.228 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -3.041 -3.834 -1.222 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.162 -1.802 -1.914 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.293 0.227 -0.316 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.447 -2.083 0.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.582 1.501 1.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.763 -0.417 1.717 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.314 1.349 2.449 1.00 0.00 H new ATOM 884 N PHE A 55 -0.636 -2.671 -1.983 1.00 0.00 N ATOM 885 CA PHE A 55 0.564 -1.995 -1.504 1.00 0.00 C ATOM 886 C PHE A 55 1.328 -1.358 -2.662 1.00 0.00 C ATOM 887 O PHE A 55 1.724 -0.195 -2.593 1.00 0.00 O ATOM 888 CB PHE A 55 1.470 -2.981 -0.763 1.00 0.00 C ATOM 889 CG PHE A 55 1.179 -3.072 0.708 1.00 0.00 C ATOM 890 CD1 PHE A 55 0.084 -3.786 1.168 1.00 0.00 C ATOM 891 CD2 PHE A 55 2.000 -2.442 1.630 1.00 0.00 C ATOM 892 CE1 PHE A 55 -0.186 -3.872 2.521 1.00 0.00 C ATOM 893 CE2 PHE A 55 1.734 -2.525 2.983 1.00 0.00 C ATOM 894 CZ PHE A 55 0.640 -3.240 3.430 1.00 0.00 C ATOM 0 H PHE A 55 -0.688 -3.660 -1.740 1.00 0.00 H new ATOM 0 HA PHE A 55 0.257 -1.207 -0.816 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.360 -3.969 -1.209 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.509 -2.683 -0.902 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.566 -4.281 0.461 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.856 -1.880 1.287 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.042 -4.433 2.867 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.382 -2.031 3.692 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.431 -3.305 4.488 1.00 0.00 H new ATOM 904 N GLN A 56 1.531 -2.131 -3.725 1.00 0.00 N ATOM 905 CA GLN A 56 2.248 -1.643 -4.898 1.00 0.00 C ATOM 906 C GLN A 56 1.556 -0.419 -5.489 1.00 0.00 C ATOM 907 O GLN A 56 2.212 0.521 -5.935 1.00 0.00 O ATOM 908 CB GLN A 56 2.352 -2.745 -5.953 1.00 0.00 C ATOM 909 CG GLN A 56 3.372 -3.819 -5.614 1.00 0.00 C ATOM 910 CD GLN A 56 3.235 -5.051 -6.486 1.00 0.00 C ATOM 911 OE1 GLN A 56 2.195 -5.273 -7.108 1.00 0.00 O ATOM 912 NE2 GLN A 56 4.285 -5.862 -6.535 1.00 0.00 N ATOM 0 H GLN A 56 1.210 -3.096 -3.798 1.00 0.00 H new ATOM 0 HA GLN A 56 3.251 -1.354 -4.585 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.374 -3.211 -6.077 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.615 -2.296 -6.911 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.376 -3.409 -5.726 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.259 -4.105 -4.568 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.127 -5.639 -6.004 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.250 -6.708 -7.104 1.00 0.00 H new ATOM 921 N ASN A 57 0.227 -0.439 -5.488 1.00 0.00 N ATOM 922 CA ASN A 57 -0.554 0.669 -6.026 1.00 0.00 C ATOM 923 C ASN A 57 -0.301 1.948 -5.233 1.00 0.00 C ATOM 924 O ASN A 57 -0.191 3.033 -5.804 1.00 0.00 O ATOM 925 CB ASN A 57 -2.045 0.328 -6.003 1.00 0.00 C ATOM 926 CG ASN A 57 -2.491 -0.400 -7.256 1.00 0.00 C ATOM 927 OD1 ASN A 57 -2.610 0.197 -8.326 1.00 0.00 O ATOM 928 ND2 ASN A 57 -2.740 -1.699 -7.129 1.00 0.00 N ATOM 0 H ASN A 57 -0.331 -1.210 -5.121 1.00 0.00 H new ATOM 0 HA ASN A 57 -0.242 0.834 -7.057 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.260 -0.290 -5.131 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.623 1.246 -5.894 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.043 -2.242 -7.938 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.628 -2.153 -6.223 1.00 0.00 H new ATOM 935 N ALA A 58 -0.210 1.811 -3.913 1.00 0.00 N ATOM 936 CA ALA A 58 0.033 2.955 -3.043 1.00 0.00 C ATOM 937 C ALA A 58 1.270 3.728 -3.483 1.00 0.00 C ATOM 938 O ALA A 58 1.184 4.904 -3.840 1.00 0.00 O ATOM 939 CB ALA A 58 0.181 2.496 -1.600 1.00 0.00 C ATOM 0 H ALA A 58 -0.301 0.920 -3.424 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.825 3.624 -3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.362 3.360 -0.960 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.733 1.994 -1.282 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.020 1.805 -1.522 1.00 0.00 H new ATOM 945 N ARG A 59 2.419 3.062 -3.457 1.00 0.00 N ATOM 946 CA ARG A 59 3.675 3.689 -3.852 1.00 0.00 C ATOM 947 C ARG A 59 3.483 4.554 -5.095 1.00 0.00 C ATOM 948 O ARG A 59 4.059 5.637 -5.204 1.00 0.00 O ATOM 949 CB ARG A 59 4.739 2.624 -4.120 1.00 0.00 C ATOM 950 CG ARG A 59 5.011 1.721 -2.927 1.00 0.00 C ATOM 951 CD ARG A 59 6.396 1.098 -3.003 1.00 0.00 C ATOM 952 NE ARG A 59 6.435 -0.041 -3.914 1.00 0.00 N ATOM 953 CZ ARG A 59 7.520 -0.778 -4.125 1.00 0.00 C ATOM 954 NH1 ARG A 59 8.650 -0.495 -3.492 1.00 0.00 N ATOM 955 NH2 ARG A 59 7.476 -1.801 -4.969 1.00 0.00 N ATOM 0 H ARG A 59 2.507 2.088 -3.167 1.00 0.00 H new ATOM 0 HA ARG A 59 4.007 4.327 -3.033 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.423 2.011 -4.964 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.667 3.115 -4.412 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.920 2.296 -2.006 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.259 0.933 -2.887 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.114 1.850 -3.332 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.704 0.777 -2.008 1.00 0.00 H new ATOM 0 HE ARG A 59 5.582 -0.285 -4.417 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.687 0.290 -2.842 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.482 -1.062 -3.655 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.608 -2.023 -5.457 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.310 -2.366 -5.130 1.00 0.00 H new