USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=9 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 150:sc= -0.843 USER MOD Set 1.2: A 29 ASN : amide:sc= -1.81 K(o=-2.7,f=-1.4) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,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= -2.02! K(o=-2!,f=-1.3) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -143:sc= -0.266 (180deg=-2.38!) USER MOD Single : A 23 LYS NZ :NH3+ 144:sc= -1.53 (180deg=-3.36!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 155:sc= -0.0354 (180deg=-0.813) USER MOD Single : A 39 GLN : amide:sc= -0.114 K(o=-0.11,f=-2.2) USER MOD Single : A 42 GLN : amide:sc= -0.079 K(o=-0.079,f=-1.7!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -84:sc= 1.27 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -170:sc= -1.19 (180deg=-1.5) USER MOD Single : A 52 GLN : amide:sc=-0.00159 K(o=-0.0016,f=-2.8!) USER MOD Single : A 56 GLN : amide:sc= -0.0628 K(o=-0.063,f=-1.8!) USER MOD Single : A 57 ASN : amide:sc= -0.0783 K(o=-0.078,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 178 N PHE A 14 -12.567 -1.557 -0.826 1.00 0.00 N ATOM 179 CA PHE A 14 -12.069 -2.055 0.452 1.00 0.00 C ATOM 180 C PHE A 14 -12.751 -1.341 1.616 1.00 0.00 C ATOM 181 O PHE A 14 -13.238 -0.219 1.472 1.00 0.00 O ATOM 182 CB PHE A 14 -10.554 -1.867 0.541 1.00 0.00 C ATOM 183 CG PHE A 14 -9.800 -2.534 -0.575 1.00 0.00 C ATOM 184 CD1 PHE A 14 -9.881 -3.904 -0.761 1.00 0.00 C ATOM 185 CD2 PHE A 14 -9.012 -1.789 -1.437 1.00 0.00 C ATOM 186 CE1 PHE A 14 -9.189 -4.520 -1.786 1.00 0.00 C ATOM 187 CE2 PHE A 14 -8.318 -2.400 -2.464 1.00 0.00 C ATOM 188 CZ PHE A 14 -8.406 -3.767 -2.638 1.00 0.00 C ATOM 0 HA PHE A 14 -12.300 -3.118 0.515 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.327 -0.801 0.535 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.202 -2.263 1.494 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -10.492 -4.498 -0.097 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.939 -0.720 -1.305 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.261 -5.589 -1.921 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.707 -1.809 -3.130 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.863 -4.246 -3.439 1.00 0.00 H new ATOM 198 N LYS A 15 -12.783 -1.999 2.769 1.00 0.00 N ATOM 199 CA LYS A 15 -13.403 -1.430 3.960 1.00 0.00 C ATOM 200 C LYS A 15 -12.457 -0.454 4.652 1.00 0.00 C ATOM 201 O LYS A 15 -11.251 -0.462 4.404 1.00 0.00 O ATOM 202 CB LYS A 15 -13.808 -2.542 4.931 1.00 0.00 C ATOM 203 CG LYS A 15 -14.685 -3.610 4.301 1.00 0.00 C ATOM 204 CD LYS A 15 -16.122 -3.138 4.159 1.00 0.00 C ATOM 205 CE LYS A 15 -16.851 -3.159 5.493 1.00 0.00 C ATOM 206 NZ LYS A 15 -17.426 -4.501 5.789 1.00 0.00 N ATOM 0 H LYS A 15 -12.386 -2.929 2.905 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.295 -0.885 3.650 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.908 -3.011 5.329 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.337 -2.101 5.775 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.290 -3.875 3.321 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.656 -4.513 4.911 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.135 -2.127 3.752 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.646 -3.775 3.447 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.162 -2.876 6.288 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -17.649 -2.416 5.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.915 -4.475 6.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.103 -4.761 5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -16.662 -5.206 5.824 1.00 0.00 H new ATOM 220 N HIS A 16 -13.012 0.383 5.522 1.00 0.00 N ATOM 221 CA HIS A 16 -12.217 1.364 6.253 1.00 0.00 C ATOM 222 C HIS A 16 -11.493 0.712 7.426 1.00 0.00 C ATOM 223 O HIS A 16 -10.499 1.238 7.926 1.00 0.00 O ATOM 224 CB HIS A 16 -13.107 2.501 6.756 1.00 0.00 C ATOM 225 CG HIS A 16 -13.807 3.244 5.661 1.00 0.00 C ATOM 226 ND1 HIS A 16 -13.350 4.440 5.149 1.00 0.00 N ATOM 227 CD2 HIS A 16 -14.939 2.953 4.977 1.00 0.00 C ATOM 228 CE1 HIS A 16 -14.169 4.853 4.200 1.00 0.00 C ATOM 229 NE2 HIS A 16 -15.143 3.968 4.075 1.00 0.00 N ATOM 0 H HIS A 16 -14.009 0.402 5.738 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.471 1.771 5.570 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.851 2.093 7.440 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.498 3.202 7.328 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -15.565 2.084 5.115 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.062 5.760 3.623 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -15.919 4.029 3.416 1.00 0.00 H new ATOM 238 N HIS A 17 -11.998 -0.438 7.861 1.00 0.00 N ATOM 239 CA HIS A 17 -11.400 -1.164 8.976 1.00 0.00 C ATOM 240 C HIS A 17 -10.091 -1.827 8.554 1.00 0.00 C ATOM 241 O HIS A 17 -9.016 -1.444 9.013 1.00 0.00 O ATOM 242 CB HIS A 17 -12.371 -2.219 9.506 1.00 0.00 C ATOM 243 CG HIS A 17 -13.706 -1.662 9.895 1.00 0.00 C ATOM 244 ND1 HIS A 17 -13.906 -0.915 11.036 1.00 0.00 N ATOM 245 CD2 HIS A 17 -14.912 -1.746 9.287 1.00 0.00 C ATOM 246 CE1 HIS A 17 -15.177 -0.564 11.113 1.00 0.00 C ATOM 247 NE2 HIS A 17 -15.809 -1.056 10.063 1.00 0.00 N ATOM 0 H HIS A 17 -12.820 -0.887 7.458 1.00 0.00 H new ATOM 0 HA HIS A 17 -11.185 -0.448 9.769 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.514 -2.985 8.744 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -11.925 -2.710 10.371 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -15.128 -2.261 8.362 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.623 0.025 11.901 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.802 -0.942 9.862 1.00 0.00 H new ATOM 256 N GLN A 18 -10.194 -2.821 7.678 1.00 0.00 N ATOM 257 CA GLN A 18 -9.018 -3.536 7.195 1.00 0.00 C ATOM 258 C GLN A 18 -7.958 -2.564 6.690 1.00 0.00 C ATOM 259 O GLN A 18 -6.793 -2.639 7.083 1.00 0.00 O ATOM 260 CB GLN A 18 -9.409 -4.508 6.081 1.00 0.00 C ATOM 261 CG GLN A 18 -10.608 -4.051 5.267 1.00 0.00 C ATOM 262 CD GLN A 18 -10.560 -4.537 3.832 1.00 0.00 C ATOM 263 OE1 GLN A 18 -11.232 -5.502 3.468 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.763 -3.868 3.006 1.00 0.00 N ATOM 0 H GLN A 18 -11.078 -3.149 7.289 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.599 -4.099 8.029 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.558 -4.644 5.414 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.628 -5.481 6.520 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.522 -4.413 5.739 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.655 -2.962 5.276 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.223 -3.074 3.350 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.691 -4.149 2.028 1.00 0.00 H new ATOM 273 N LEU A 19 -8.368 -1.651 5.816 1.00 0.00 N ATOM 274 CA LEU A 19 -7.454 -0.663 5.255 1.00 0.00 C ATOM 275 C LEU A 19 -6.656 0.027 6.356 1.00 0.00 C ATOM 276 O LEU A 19 -5.432 0.136 6.275 1.00 0.00 O ATOM 277 CB LEU A 19 -8.229 0.377 4.443 1.00 0.00 C ATOM 278 CG LEU A 19 -8.422 0.063 2.959 1.00 0.00 C ATOM 279 CD1 LEU A 19 -9.126 1.214 2.258 1.00 0.00 C ATOM 280 CD2 LEU A 19 -7.084 -0.230 2.298 1.00 0.00 C ATOM 0 H LEU A 19 -9.328 -1.575 5.481 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.757 -1.182 4.597 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.211 0.505 4.897 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.712 1.333 4.527 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.048 -0.825 2.873 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.255 0.973 1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.102 1.376 2.715 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.526 2.119 2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.240 -0.451 1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.433 0.639 2.394 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.618 -1.088 2.783 1.00 0.00 H new ATOM 292 N ARG A 20 -7.356 0.489 7.387 1.00 0.00 N ATOM 293 CA ARG A 20 -6.712 1.167 8.506 1.00 0.00 C ATOM 294 C ARG A 20 -5.446 0.431 8.933 1.00 0.00 C ATOM 295 O ARG A 20 -4.443 1.051 9.287 1.00 0.00 O ATOM 296 CB ARG A 20 -7.677 1.274 9.688 1.00 0.00 C ATOM 297 CG ARG A 20 -7.168 2.161 10.812 1.00 0.00 C ATOM 298 CD ARG A 20 -7.347 3.635 10.483 1.00 0.00 C ATOM 299 NE ARG A 20 -8.699 4.101 10.780 1.00 0.00 N ATOM 300 CZ ARG A 20 -9.152 4.306 12.012 1.00 0.00 C ATOM 301 NH1 ARG A 20 -8.364 4.088 13.056 1.00 0.00 N ATOM 302 NH2 ARG A 20 -10.394 4.731 12.201 1.00 0.00 N ATOM 0 H ARG A 20 -8.369 0.406 7.471 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.435 2.170 8.180 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.631 1.664 9.333 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.867 0.276 10.082 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.701 1.925 11.733 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.113 1.953 10.992 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.627 4.224 11.052 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.130 3.800 9.428 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.330 4.279 9.999 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -7.408 3.762 12.914 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.714 4.246 14.001 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.002 4.901 11.400 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -10.741 4.888 13.147 1.00 0.00 H new ATOM 316 N THR A 21 -5.501 -0.898 8.899 1.00 0.00 N ATOM 317 CA THR A 21 -4.361 -1.720 9.283 1.00 0.00 C ATOM 318 C THR A 21 -3.266 -1.672 8.223 1.00 0.00 C ATOM 319 O THR A 21 -2.083 -1.566 8.543 1.00 0.00 O ATOM 320 CB THR A 21 -4.775 -3.186 9.512 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.718 -3.266 10.587 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.563 -4.048 9.828 1.00 0.00 C ATOM 0 H THR A 21 -6.324 -1.427 8.609 1.00 0.00 H new ATOM 0 HA THR A 21 -3.977 -1.310 10.217 1.00 0.00 H new ATOM 0 HB THR A 21 -5.236 -3.558 8.597 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.978 -4.201 10.725 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.881 -5.079 9.986 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.861 -4.008 8.995 1.00 0.00 H new ATOM 0 HG23 THR A 21 -3.077 -3.676 10.730 1.00 0.00 H new ATOM 330 N MET A 22 -3.669 -1.753 6.960 1.00 0.00 N ATOM 331 CA MET A 22 -2.722 -1.718 5.851 1.00 0.00 C ATOM 332 C MET A 22 -2.047 -0.353 5.757 1.00 0.00 C ATOM 333 O MET A 22 -0.820 -0.250 5.811 1.00 0.00 O ATOM 334 CB MET A 22 -3.431 -2.041 4.535 1.00 0.00 C ATOM 335 CG MET A 22 -3.654 -3.528 4.314 1.00 0.00 C ATOM 336 SD MET A 22 -3.671 -3.977 2.568 1.00 0.00 S ATOM 337 CE MET A 22 -5.320 -3.455 2.101 1.00 0.00 C ATOM 0 H MET A 22 -4.645 -1.843 6.678 1.00 0.00 H new ATOM 0 HA MET A 22 -1.956 -2.471 6.036 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.394 -1.531 4.516 1.00 0.00 H new ATOM 0 HB3 MET A 22 -2.843 -1.643 3.708 1.00 0.00 H new ATOM 0 HG2 MET A 22 -2.869 -4.088 4.821 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.600 -3.821 4.770 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.736 -4.163 1.384 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.955 -3.419 2.986 1.00 0.00 H new ATOM 0 HE3 MET A 22 -5.274 -2.465 1.648 1.00 0.00 H new ATOM 347 N LYS A 23 -2.854 0.693 5.616 1.00 0.00 N ATOM 348 CA LYS A 23 -2.335 2.052 5.514 1.00 0.00 C ATOM 349 C LYS A 23 -1.340 2.340 6.634 1.00 0.00 C ATOM 350 O LYS A 23 -0.230 2.810 6.386 1.00 0.00 O ATOM 351 CB LYS A 23 -3.483 3.063 5.565 1.00 0.00 C ATOM 352 CG LYS A 23 -4.345 3.067 4.315 1.00 0.00 C ATOM 353 CD LYS A 23 -5.522 4.020 4.452 1.00 0.00 C ATOM 354 CE LYS A 23 -6.040 4.464 3.093 1.00 0.00 C ATOM 355 NZ LYS A 23 -6.445 3.307 2.248 1.00 0.00 N ATOM 0 H LYS A 23 -3.871 0.626 5.570 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.818 2.146 4.559 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.111 2.844 6.429 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.071 4.061 5.715 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.740 3.356 3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.712 2.059 4.122 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.324 3.532 5.007 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.219 4.893 5.030 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.892 5.130 3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.267 5.036 2.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.278 3.565 1.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.662 3.049 1.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.678 2.497 2.857 1.00 0.00 H new ATOM 369 N SER A 24 -1.746 2.053 7.867 1.00 0.00 N ATOM 370 CA SER A 24 -0.890 2.283 9.026 1.00 0.00 C ATOM 371 C SER A 24 0.464 1.603 8.846 1.00 0.00 C ATOM 372 O SER A 24 1.497 2.134 9.252 1.00 0.00 O ATOM 373 CB SER A 24 -1.567 1.767 10.297 1.00 0.00 C ATOM 374 OG SER A 24 -0.879 2.206 11.456 1.00 0.00 O ATOM 0 H SER A 24 -2.661 1.661 8.089 1.00 0.00 H new ATOM 0 HA SER A 24 -0.728 3.357 9.119 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.599 2.115 10.330 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.598 0.678 10.280 1.00 0.00 H new ATOM 0 HG SER A 24 -1.332 1.864 12.255 1.00 0.00 H new ATOM 380 N TYR A 25 0.449 0.424 8.233 1.00 0.00 N ATOM 381 CA TYR A 25 1.674 -0.332 8.000 1.00 0.00 C ATOM 382 C TYR A 25 2.571 0.382 6.992 1.00 0.00 C ATOM 383 O TYR A 25 3.786 0.463 7.173 1.00 0.00 O ATOM 384 CB TYR A 25 1.343 -1.738 7.500 1.00 0.00 C ATOM 385 CG TYR A 25 2.561 -2.614 7.304 1.00 0.00 C ATOM 386 CD1 TYR A 25 3.381 -2.459 6.195 1.00 0.00 C ATOM 387 CD2 TYR A 25 2.891 -3.595 8.231 1.00 0.00 C ATOM 388 CE1 TYR A 25 4.494 -3.257 6.011 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.003 -4.396 8.058 1.00 0.00 C ATOM 390 CZ TYR A 25 4.801 -4.224 6.947 1.00 0.00 C ATOM 391 OH TYR A 25 5.909 -5.019 6.768 1.00 0.00 O ATOM 0 H TYR A 25 -0.398 -0.029 7.889 1.00 0.00 H new ATOM 0 HA TYR A 25 2.210 -0.408 8.946 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.671 -2.218 8.211 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.805 -1.661 6.555 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.145 -1.701 5.463 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.267 -3.734 9.102 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.120 -3.125 5.141 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.246 -5.153 8.789 1.00 0.00 H new ATOM 0 HH TYR A 25 6.267 -5.283 7.641 1.00 0.00 H new ATOM 401 N PHE A 26 1.961 0.897 5.930 1.00 0.00 N ATOM 402 CA PHE A 26 2.703 1.604 4.892 1.00 0.00 C ATOM 403 C PHE A 26 3.712 2.571 5.506 1.00 0.00 C ATOM 404 O PHE A 26 4.810 2.753 4.983 1.00 0.00 O ATOM 405 CB PHE A 26 1.742 2.366 3.978 1.00 0.00 C ATOM 406 CG PHE A 26 2.427 3.080 2.849 1.00 0.00 C ATOM 407 CD1 PHE A 26 3.177 2.377 1.920 1.00 0.00 C ATOM 408 CD2 PHE A 26 2.322 4.456 2.716 1.00 0.00 C ATOM 409 CE1 PHE A 26 3.809 3.032 0.879 1.00 0.00 C ATOM 410 CE2 PHE A 26 2.952 5.116 1.678 1.00 0.00 C ATOM 411 CZ PHE A 26 3.698 4.403 0.759 1.00 0.00 C ATOM 0 H PHE A 26 0.956 0.838 5.765 1.00 0.00 H new ATOM 0 HA PHE A 26 3.246 0.865 4.303 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.014 1.667 3.566 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.187 3.092 4.572 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.269 1.305 2.010 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.741 5.019 3.432 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.389 2.472 0.161 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.861 6.188 1.585 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.193 4.917 -0.051 1.00 0.00 H new ATOM 421 N ALA A 27 3.328 3.187 6.620 1.00 0.00 N ATOM 422 CA ALA A 27 4.199 4.135 7.306 1.00 0.00 C ATOM 423 C ALA A 27 5.348 3.416 8.004 1.00 0.00 C ATOM 424 O ALA A 27 6.482 3.898 8.010 1.00 0.00 O ATOM 425 CB ALA A 27 3.399 4.954 8.309 1.00 0.00 C ATOM 0 H ALA A 27 2.421 3.047 7.066 1.00 0.00 H new ATOM 0 HA ALA A 27 4.624 4.807 6.561 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.061 5.658 8.814 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.615 5.503 7.787 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.948 4.288 9.045 1.00 0.00 H new ATOM 431 N ILE A 28 5.049 2.263 8.594 1.00 0.00 N ATOM 432 CA ILE A 28 6.059 1.479 9.294 1.00 0.00 C ATOM 433 C ILE A 28 7.064 0.879 8.318 1.00 0.00 C ATOM 434 O ILE A 28 8.273 1.034 8.482 1.00 0.00 O ATOM 435 CB ILE A 28 5.419 0.346 10.119 1.00 0.00 C ATOM 436 CG1 ILE A 28 4.391 0.916 11.098 1.00 0.00 C ATOM 437 CG2 ILE A 28 6.491 -0.438 10.862 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.323 -0.078 11.499 1.00 0.00 C ATOM 0 H ILE A 28 4.116 1.851 8.601 1.00 0.00 H new ATOM 0 HA ILE A 28 6.577 2.161 9.969 1.00 0.00 H new ATOM 0 HB ILE A 28 4.905 -0.334 9.439 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.907 1.263 11.993 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.915 1.786 10.647 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.024 -1.235 11.440 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.188 -0.871 10.145 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.030 0.230 11.534 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.629 0.394 12.194 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.781 -0.407 10.612 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.789 -0.938 11.980 1.00 0.00 H new ATOM 450 N ASN A 29 6.554 0.192 7.300 1.00 0.00 N ATOM 451 CA ASN A 29 7.408 -0.432 6.296 1.00 0.00 C ATOM 452 C ASN A 29 6.824 -0.249 4.897 1.00 0.00 C ATOM 453 O ASN A 29 5.606 -0.250 4.716 1.00 0.00 O ATOM 454 CB ASN A 29 7.580 -1.921 6.597 1.00 0.00 C ATOM 455 CG ASN A 29 8.740 -2.535 5.835 1.00 0.00 C ATOM 456 OD1 ASN A 29 9.851 -2.005 5.842 1.00 0.00 O ATOM 457 ND2 ASN A 29 8.484 -3.658 5.174 1.00 0.00 N ATOM 0 H ASN A 29 5.555 0.054 7.149 1.00 0.00 H new ATOM 0 HA ASN A 29 8.383 0.054 6.331 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.739 -2.057 7.667 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.661 -2.449 6.342 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.224 -4.117 4.643 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.547 -4.061 5.197 1.00 0.00 H new ATOM 464 N HIS A 30 7.702 -0.095 3.911 1.00 0.00 N ATOM 465 CA HIS A 30 7.275 0.088 2.528 1.00 0.00 C ATOM 466 C HIS A 30 7.363 -1.225 1.755 1.00 0.00 C ATOM 467 O HIS A 30 6.431 -1.603 1.049 1.00 0.00 O ATOM 468 CB HIS A 30 8.130 1.155 1.845 1.00 0.00 C ATOM 469 CG HIS A 30 8.367 2.367 2.693 1.00 0.00 C ATOM 470 ND1 HIS A 30 9.625 2.791 3.064 1.00 0.00 N ATOM 471 CD2 HIS A 30 7.498 3.247 3.241 1.00 0.00 C ATOM 472 CE1 HIS A 30 9.520 3.879 3.805 1.00 0.00 C ATOM 473 NE2 HIS A 30 8.240 4.178 3.928 1.00 0.00 N ATOM 0 H HIS A 30 8.713 -0.093 4.044 1.00 0.00 H new ATOM 0 HA HIS A 30 6.236 0.417 2.534 1.00 0.00 H new ATOM 0 HB2 HIS A 30 9.091 0.719 1.573 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.644 1.460 0.918 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.422 3.223 3.155 1.00 0.00 H new ATOM 0 HE1 HIS A 30 10.342 4.431 4.237 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.863 4.971 4.448 1.00 0.00 H new ATOM 482 N ASN A 31 8.492 -1.913 1.895 1.00 0.00 N ATOM 483 CA ASN A 31 8.702 -3.183 1.208 1.00 0.00 C ATOM 484 C ASN A 31 8.634 -4.349 2.188 1.00 0.00 C ATOM 485 O ASN A 31 9.651 -4.871 2.643 1.00 0.00 O ATOM 486 CB ASN A 31 10.055 -3.181 0.493 1.00 0.00 C ATOM 487 CG ASN A 31 10.093 -2.211 -0.671 1.00 0.00 C ATOM 488 OD1 ASN A 31 9.463 -2.439 -1.705 1.00 0.00 O ATOM 489 ND2 ASN A 31 10.833 -1.121 -0.510 1.00 0.00 N ATOM 0 H ASN A 31 9.274 -1.613 2.477 1.00 0.00 H new ATOM 0 HA ASN A 31 7.909 -3.305 0.471 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.838 -2.921 1.205 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.273 -4.186 0.132 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.896 -0.432 -1.260 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.338 -0.972 0.363 1.00 0.00 H new ATOM 496 N PRO A 32 7.405 -4.770 2.522 1.00 0.00 N ATOM 497 CA PRO A 32 7.173 -5.880 3.450 1.00 0.00 C ATOM 498 C PRO A 32 7.579 -7.225 2.858 1.00 0.00 C ATOM 499 O PRO A 32 7.574 -7.406 1.640 1.00 0.00 O ATOM 500 CB PRO A 32 5.661 -5.835 3.688 1.00 0.00 C ATOM 501 CG PRO A 32 5.106 -5.183 2.468 1.00 0.00 C ATOM 502 CD PRO A 32 6.146 -4.195 2.017 1.00 0.00 C ATOM 0 HA PRO A 32 7.764 -5.780 4.360 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.251 -6.836 3.823 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.418 -5.267 4.586 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.904 -5.919 1.690 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.162 -4.683 2.687 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.158 -4.092 0.932 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.963 -3.203 2.430 1.00 0.00 H new ATOM 510 N ASP A 33 7.930 -8.167 3.727 1.00 0.00 N ATOM 511 CA ASP A 33 8.339 -9.497 3.290 1.00 0.00 C ATOM 512 C ASP A 33 7.176 -10.479 3.382 1.00 0.00 C ATOM 513 O ASP A 33 6.196 -10.234 4.086 1.00 0.00 O ATOM 514 CB ASP A 33 9.513 -9.997 4.134 1.00 0.00 C ATOM 515 CG ASP A 33 10.555 -8.922 4.370 1.00 0.00 C ATOM 516 OD1 ASP A 33 10.905 -8.212 3.404 1.00 0.00 O ATOM 517 OD2 ASP A 33 11.020 -8.790 5.521 1.00 0.00 O ATOM 0 H ASP A 33 7.939 -8.034 4.738 1.00 0.00 H new ATOM 0 HA ASP A 33 8.654 -9.430 2.249 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.140 -10.355 5.094 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.979 -10.847 3.636 1.00 0.00 H new ATOM 522 N ALA A 34 7.291 -11.593 2.665 1.00 0.00 N ATOM 523 CA ALA A 34 6.249 -12.613 2.665 1.00 0.00 C ATOM 524 C ALA A 34 5.619 -12.753 4.047 1.00 0.00 C ATOM 525 O ALA A 34 4.396 -12.806 4.181 1.00 0.00 O ATOM 526 CB ALA A 34 6.817 -13.947 2.204 1.00 0.00 C ATOM 0 H ALA A 34 8.095 -11.812 2.077 1.00 0.00 H new ATOM 0 HA ALA A 34 5.470 -12.302 1.969 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.028 -14.699 2.209 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.214 -13.844 1.194 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.616 -14.255 2.878 1.00 0.00 H new ATOM 532 N LYS A 35 6.461 -12.813 5.073 1.00 0.00 N ATOM 533 CA LYS A 35 5.988 -12.946 6.446 1.00 0.00 C ATOM 534 C LYS A 35 5.032 -11.813 6.804 1.00 0.00 C ATOM 535 O LYS A 35 3.951 -12.048 7.344 1.00 0.00 O ATOM 536 CB LYS A 35 7.171 -12.955 7.416 1.00 0.00 C ATOM 537 CG LYS A 35 6.765 -12.805 8.871 1.00 0.00 C ATOM 538 CD LYS A 35 6.008 -14.026 9.368 1.00 0.00 C ATOM 539 CE LYS A 35 6.173 -14.212 10.868 1.00 0.00 C ATOM 540 NZ LYS A 35 5.523 -15.464 11.347 1.00 0.00 N ATOM 0 H LYS A 35 7.476 -12.772 4.979 1.00 0.00 H new ATOM 0 HA LYS A 35 5.451 -13.891 6.529 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.722 -13.888 7.295 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.852 -12.146 7.152 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.654 -12.652 9.484 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.142 -11.918 8.986 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.950 -13.922 9.127 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.367 -14.914 8.849 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.234 -14.236 11.116 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.743 -13.357 11.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.658 -15.554 12.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.506 -15.431 11.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.951 -16.282 10.869 1.00 0.00 H new ATOM 554 N ASP A 36 5.436 -10.584 6.499 1.00 0.00 N ATOM 555 CA ASP A 36 4.613 -9.415 6.786 1.00 0.00 C ATOM 556 C ASP A 36 3.311 -9.459 5.993 1.00 0.00 C ATOM 557 O ASP A 36 2.261 -9.041 6.481 1.00 0.00 O ATOM 558 CB ASP A 36 5.381 -8.133 6.460 1.00 0.00 C ATOM 559 CG ASP A 36 6.710 -8.054 7.186 1.00 0.00 C ATOM 560 OD1 ASP A 36 6.710 -7.720 8.389 1.00 0.00 O ATOM 561 OD2 ASP A 36 7.750 -8.326 6.549 1.00 0.00 O ATOM 0 H ASP A 36 6.329 -10.372 6.053 1.00 0.00 H new ATOM 0 HA ASP A 36 4.370 -9.424 7.849 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.554 -8.080 5.385 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.772 -7.270 6.728 1.00 0.00 H new ATOM 566 N LEU A 37 3.387 -9.966 4.768 1.00 0.00 N ATOM 567 CA LEU A 37 2.215 -10.063 3.905 1.00 0.00 C ATOM 568 C LEU A 37 1.175 -11.006 4.504 1.00 0.00 C ATOM 569 O LEU A 37 0.015 -10.636 4.680 1.00 0.00 O ATOM 570 CB LEU A 37 2.620 -10.551 2.514 1.00 0.00 C ATOM 571 CG LEU A 37 3.088 -9.474 1.534 1.00 0.00 C ATOM 572 CD1 LEU A 37 3.779 -10.106 0.336 1.00 0.00 C ATOM 573 CD2 LEU A 37 1.915 -8.616 1.084 1.00 0.00 C ATOM 0 H LEU A 37 4.249 -10.317 4.349 1.00 0.00 H new ATOM 0 HA LEU A 37 1.774 -9.070 3.820 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.419 -11.284 2.626 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.770 -11.072 2.072 1.00 0.00 H new ATOM 0 HG LEU A 37 3.806 -8.833 2.045 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.105 -9.324 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.644 -10.676 0.674 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.084 -10.771 -0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.267 -7.855 0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.173 -9.244 0.591 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.464 -8.133 1.951 1.00 0.00 H new ATOM 585 N LYS A 38 1.601 -12.225 4.817 1.00 0.00 N ATOM 586 CA LYS A 38 0.708 -13.221 5.400 1.00 0.00 C ATOM 587 C LYS A 38 0.103 -12.711 6.704 1.00 0.00 C ATOM 588 O LYS A 38 -1.067 -12.962 6.996 1.00 0.00 O ATOM 589 CB LYS A 38 1.464 -14.527 5.652 1.00 0.00 C ATOM 590 CG LYS A 38 2.724 -14.351 6.481 1.00 0.00 C ATOM 591 CD LYS A 38 3.237 -15.682 7.004 1.00 0.00 C ATOM 592 CE LYS A 38 2.636 -16.017 8.361 1.00 0.00 C ATOM 593 NZ LYS A 38 1.369 -16.789 8.232 1.00 0.00 N ATOM 0 H LYS A 38 2.559 -12.547 4.677 1.00 0.00 H new ATOM 0 HA LYS A 38 -0.101 -13.407 4.693 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.801 -15.229 6.159 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.729 -14.974 4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.495 -13.875 5.876 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.519 -13.684 7.319 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.995 -16.471 6.293 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.323 -15.648 7.084 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.354 -16.593 8.944 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.445 -15.095 8.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.214 -17.349 9.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.574 -16.132 8.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.433 -17.426 7.413 1.00 0.00 H new ATOM 607 N GLN A 39 0.906 -11.995 7.484 1.00 0.00 N ATOM 608 CA GLN A 39 0.448 -11.450 8.757 1.00 0.00 C ATOM 609 C GLN A 39 -0.672 -10.437 8.544 1.00 0.00 C ATOM 610 O GLN A 39 -1.582 -10.320 9.366 1.00 0.00 O ATOM 611 CB GLN A 39 1.611 -10.794 9.503 1.00 0.00 C ATOM 612 CG GLN A 39 2.457 -11.776 10.296 1.00 0.00 C ATOM 613 CD GLN A 39 1.791 -12.210 11.586 1.00 0.00 C ATOM 614 OE1 GLN A 39 0.584 -12.044 11.762 1.00 0.00 O ATOM 615 NE2 GLN A 39 2.576 -12.771 12.499 1.00 0.00 N ATOM 0 H GLN A 39 1.877 -11.779 7.257 1.00 0.00 H new ATOM 0 HA GLN A 39 0.059 -12.273 9.357 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.247 -10.277 8.784 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.216 -10.037 10.181 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.659 -12.654 9.682 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.420 -11.319 10.524 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.572 -12.890 12.312 1.00 0.00 H new ATOM 0 HE22 GLN A 39 2.183 -13.083 13.387 1.00 0.00 H new ATOM 624 N LEU A 40 -0.600 -9.707 7.437 1.00 0.00 N ATOM 625 CA LEU A 40 -1.608 -8.702 7.116 1.00 0.00 C ATOM 626 C LEU A 40 -2.844 -9.349 6.498 1.00 0.00 C ATOM 627 O LEU A 40 -3.951 -8.823 6.604 1.00 0.00 O ATOM 628 CB LEU A 40 -1.030 -7.661 6.156 1.00 0.00 C ATOM 629 CG LEU A 40 -0.127 -6.598 6.783 1.00 0.00 C ATOM 630 CD1 LEU A 40 0.661 -5.865 5.709 1.00 0.00 C ATOM 631 CD2 LEU A 40 -0.949 -5.618 7.607 1.00 0.00 C ATOM 0 H LEU A 40 0.146 -9.792 6.746 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.903 -8.209 8.042 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.462 -8.182 5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.858 -7.157 5.657 1.00 0.00 H new ATOM 0 HG LEU A 40 0.580 -7.096 7.447 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.298 -5.113 6.175 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.280 -6.576 5.163 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.029 -5.380 5.019 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.290 -4.869 8.046 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.680 -5.127 6.965 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.467 -6.155 8.402 1.00 0.00 H new ATOM 643 N ALA A 41 -2.646 -10.495 5.854 1.00 0.00 N ATOM 644 CA ALA A 41 -3.745 -11.216 5.223 1.00 0.00 C ATOM 645 C ALA A 41 -4.792 -11.630 6.251 1.00 0.00 C ATOM 646 O ALA A 41 -5.958 -11.836 5.915 1.00 0.00 O ATOM 647 CB ALA A 41 -3.218 -12.437 4.482 1.00 0.00 C ATOM 0 H ALA A 41 -1.735 -10.944 5.756 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.222 -10.547 4.507 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.049 -12.966 4.016 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.513 -12.120 3.714 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.715 -13.100 5.185 1.00 0.00 H new ATOM 653 N GLN A 42 -4.368 -11.750 7.506 1.00 0.00 N ATOM 654 CA GLN A 42 -5.271 -12.141 8.582 1.00 0.00 C ATOM 655 C GLN A 42 -5.824 -10.915 9.300 1.00 0.00 C ATOM 656 O GLN A 42 -7.027 -10.815 9.544 1.00 0.00 O ATOM 657 CB GLN A 42 -4.547 -13.047 9.580 1.00 0.00 C ATOM 658 CG GLN A 42 -4.239 -14.431 9.032 1.00 0.00 C ATOM 659 CD GLN A 42 -4.100 -15.473 10.125 1.00 0.00 C ATOM 660 OE1 GLN A 42 -4.171 -15.157 11.312 1.00 0.00 O ATOM 661 NE2 GLN A 42 -3.901 -16.725 9.728 1.00 0.00 N ATOM 0 H GLN A 42 -3.406 -11.582 7.802 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.104 -12.689 8.142 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.615 -12.569 9.882 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.159 -13.148 10.477 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.032 -14.731 8.347 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.316 -14.392 8.453 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.849 -16.942 8.733 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -3.800 -17.469 10.418 1.00 0.00 H new ATOM 670 N LYS A 43 -4.939 -9.983 9.638 1.00 0.00 N ATOM 671 CA LYS A 43 -5.338 -8.763 10.328 1.00 0.00 C ATOM 672 C LYS A 43 -6.418 -8.023 9.545 1.00 0.00 C ATOM 673 O LYS A 43 -7.260 -7.335 10.123 1.00 0.00 O ATOM 674 CB LYS A 43 -4.127 -7.850 10.535 1.00 0.00 C ATOM 675 CG LYS A 43 -3.147 -8.365 11.574 1.00 0.00 C ATOM 676 CD LYS A 43 -2.130 -7.303 11.957 1.00 0.00 C ATOM 677 CE LYS A 43 -0.937 -7.909 12.678 1.00 0.00 C ATOM 678 NZ LYS A 43 -1.291 -8.363 14.052 1.00 0.00 N ATOM 0 H LYS A 43 -3.940 -10.050 9.445 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.745 -9.042 11.300 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.606 -7.730 9.585 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.475 -6.861 10.835 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.692 -8.685 12.462 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.630 -9.242 11.184 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.790 -6.784 11.061 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.603 -6.558 12.597 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.556 -8.753 12.103 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.135 -7.173 12.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.451 -8.770 14.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.631 -7.553 14.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.039 -9.084 13.998 1.00 0.00 H new ATOM 692 N THR A 44 -6.389 -8.169 8.223 1.00 0.00 N ATOM 693 CA THR A 44 -7.365 -7.515 7.361 1.00 0.00 C ATOM 694 C THR A 44 -8.375 -8.518 6.814 1.00 0.00 C ATOM 695 O THR A 44 -9.545 -8.192 6.620 1.00 0.00 O ATOM 696 CB THR A 44 -6.680 -6.799 6.181 1.00 0.00 C ATOM 697 OG1 THR A 44 -5.995 -7.751 5.360 1.00 0.00 O ATOM 698 CG2 THR A 44 -5.697 -5.751 6.681 1.00 0.00 C ATOM 0 H THR A 44 -5.700 -8.734 7.727 1.00 0.00 H new ATOM 0 HA THR A 44 -7.884 -6.778 7.973 1.00 0.00 H new ATOM 0 HB THR A 44 -7.449 -6.300 5.592 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.106 -7.925 5.733 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.226 -5.259 5.830 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.228 -5.011 7.280 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.932 -6.231 7.291 1.00 0.00 H new ATOM 706 N GLY A 45 -7.914 -9.741 6.567 1.00 0.00 N ATOM 707 CA GLY A 45 -8.790 -10.773 6.046 1.00 0.00 C ATOM 708 C GLY A 45 -8.547 -11.053 4.576 1.00 0.00 C ATOM 709 O GLY A 45 -8.998 -12.069 4.046 1.00 0.00 O ATOM 0 H GLY A 45 -6.949 -10.035 6.719 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.645 -11.690 6.616 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.827 -10.470 6.188 1.00 0.00 H new ATOM 713 N LEU A 46 -7.833 -10.149 3.914 1.00 0.00 N ATOM 714 CA LEU A 46 -7.531 -10.303 2.495 1.00 0.00 C ATOM 715 C LEU A 46 -6.487 -11.392 2.275 1.00 0.00 C ATOM 716 O LEU A 46 -5.994 -11.996 3.228 1.00 0.00 O ATOM 717 CB LEU A 46 -7.034 -8.978 1.913 1.00 0.00 C ATOM 718 CG LEU A 46 -7.831 -7.732 2.302 1.00 0.00 C ATOM 719 CD1 LEU A 46 -6.960 -6.490 2.208 1.00 0.00 C ATOM 720 CD2 LEU A 46 -9.063 -7.590 1.421 1.00 0.00 C ATOM 0 H LEU A 46 -7.453 -9.302 4.337 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.448 -10.597 1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.999 -8.834 2.223 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.033 -9.059 0.826 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.159 -7.843 3.336 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.544 -5.614 2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.110 -6.590 2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -6.600 -6.374 1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.618 -6.698 1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -8.757 -7.503 0.379 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.699 -8.468 1.540 1.00 0.00 H new ATOM 732 N THR A 47 -6.151 -11.636 1.012 1.00 0.00 N ATOM 733 CA THR A 47 -5.164 -12.651 0.667 1.00 0.00 C ATOM 734 C THR A 47 -3.832 -12.016 0.285 1.00 0.00 C ATOM 735 O THR A 47 -3.731 -10.797 0.143 1.00 0.00 O ATOM 736 CB THR A 47 -5.650 -13.536 -0.496 1.00 0.00 C ATOM 737 OG1 THR A 47 -4.988 -14.805 -0.458 1.00 0.00 O ATOM 738 CG2 THR A 47 -5.388 -12.861 -1.835 1.00 0.00 C ATOM 0 H THR A 47 -6.548 -11.144 0.211 1.00 0.00 H new ATOM 0 HA THR A 47 -5.027 -13.271 1.553 1.00 0.00 H new ATOM 0 HB THR A 47 -6.724 -13.685 -0.385 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.305 -15.361 -1.200 1.00 0.00 H new ATOM 0 HG21 THR A 47 -5.739 -13.504 -2.642 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.918 -11.909 -1.873 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.319 -12.685 -1.951 1.00 0.00 H new ATOM 746 N LYS A 48 -2.810 -12.849 0.119 1.00 0.00 N ATOM 747 CA LYS A 48 -1.484 -12.370 -0.250 1.00 0.00 C ATOM 748 C LYS A 48 -1.557 -11.437 -1.454 1.00 0.00 C ATOM 749 O LYS A 48 -1.138 -10.282 -1.383 1.00 0.00 O ATOM 750 CB LYS A 48 -0.560 -13.550 -0.561 1.00 0.00 C ATOM 751 CG LYS A 48 0.917 -13.194 -0.519 1.00 0.00 C ATOM 752 CD LYS A 48 1.489 -13.354 0.879 1.00 0.00 C ATOM 753 CE LYS A 48 2.015 -14.763 1.109 1.00 0.00 C ATOM 754 NZ LYS A 48 0.944 -15.786 0.963 1.00 0.00 N ATOM 0 H LYS A 48 -2.875 -13.860 0.234 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.079 -11.813 0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.753 -14.350 0.154 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.803 -13.940 -1.549 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.466 -13.831 -1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.054 -12.166 -0.854 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.295 -12.635 1.028 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.719 -13.127 1.616 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.816 -14.972 0.400 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.448 -14.830 2.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.297 -16.708 1.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.119 -15.509 1.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 0.666 -15.857 -0.037 1.00 0.00 H new ATOM 768 N ARG A 49 -2.093 -11.946 -2.559 1.00 0.00 N ATOM 769 CA ARG A 49 -2.221 -11.158 -3.779 1.00 0.00 C ATOM 770 C ARG A 49 -2.828 -9.791 -3.481 1.00 0.00 C ATOM 771 O ARG A 49 -2.180 -8.759 -3.662 1.00 0.00 O ATOM 772 CB ARG A 49 -3.084 -11.899 -4.802 1.00 0.00 C ATOM 773 CG ARG A 49 -3.348 -11.102 -6.069 1.00 0.00 C ATOM 774 CD ARG A 49 -3.528 -12.013 -7.273 1.00 0.00 C ATOM 775 NE ARG A 49 -4.818 -12.700 -7.250 1.00 0.00 N ATOM 776 CZ ARG A 49 -5.080 -13.793 -7.956 1.00 0.00 C ATOM 777 NH1 ARG A 49 -4.148 -14.323 -8.735 1.00 0.00 N ATOM 778 NH2 ARG A 49 -6.278 -14.361 -7.883 1.00 0.00 N ATOM 0 H ARG A 49 -2.445 -12.900 -2.634 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.224 -11.011 -4.194 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.594 -12.835 -5.068 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.037 -12.158 -4.341 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.241 -10.492 -5.937 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.519 -10.418 -6.250 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.446 -11.426 -8.188 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.725 -12.750 -7.294 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.557 -12.319 -6.659 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.226 -13.891 -8.793 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.353 -15.163 -9.276 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -6.998 -13.957 -7.284 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.478 -15.201 -8.426 1.00 0.00 H new ATOM 792 N VAL A 50 -4.076 -9.789 -3.025 1.00 0.00 N ATOM 793 CA VAL A 50 -4.772 -8.549 -2.702 1.00 0.00 C ATOM 794 C VAL A 50 -3.858 -7.587 -1.950 1.00 0.00 C ATOM 795 O VAL A 50 -3.836 -6.388 -2.229 1.00 0.00 O ATOM 796 CB VAL A 50 -6.029 -8.815 -1.854 1.00 0.00 C ATOM 797 CG1 VAL A 50 -6.499 -7.535 -1.180 1.00 0.00 C ATOM 798 CG2 VAL A 50 -7.133 -9.412 -2.712 1.00 0.00 C ATOM 0 H VAL A 50 -4.627 -10.633 -2.871 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.071 -8.098 -3.648 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.776 -9.535 -1.076 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.388 -7.743 -0.585 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.710 -7.154 -0.532 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.736 -6.790 -1.939 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.014 -9.594 -2.097 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.387 -8.718 -3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.791 -10.353 -3.142 1.00 0.00 H new ATOM 808 N LEU A 51 -3.105 -8.121 -0.994 1.00 0.00 N ATOM 809 CA LEU A 51 -2.188 -7.310 -0.200 1.00 0.00 C ATOM 810 C LEU A 51 -0.982 -6.883 -1.030 1.00 0.00 C ATOM 811 O LEU A 51 -0.423 -5.807 -0.822 1.00 0.00 O ATOM 812 CB LEU A 51 -1.724 -8.088 1.032 1.00 0.00 C ATOM 813 CG LEU A 51 -2.831 -8.634 1.936 1.00 0.00 C ATOM 814 CD1 LEU A 51 -2.340 -9.850 2.706 1.00 0.00 C ATOM 815 CD2 LEU A 51 -3.318 -7.556 2.894 1.00 0.00 C ATOM 0 H LEU A 51 -3.111 -9.111 -0.750 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.719 -6.415 0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.109 -8.924 0.699 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.083 -7.438 1.628 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.668 -8.940 1.308 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.141 -10.225 3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.041 -10.628 2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.486 -9.570 3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.105 -7.962 3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.488 -7.219 3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.710 -6.713 2.325 1.00 0.00 H new ATOM 827 N GLN A 52 -0.586 -7.736 -1.971 1.00 0.00 N ATOM 828 CA GLN A 52 0.554 -7.445 -2.832 1.00 0.00 C ATOM 829 C GLN A 52 0.239 -6.296 -3.784 1.00 0.00 C ATOM 830 O GLN A 52 0.950 -5.291 -3.816 1.00 0.00 O ATOM 831 CB GLN A 52 0.947 -8.690 -3.630 1.00 0.00 C ATOM 832 CG GLN A 52 1.700 -9.726 -2.811 1.00 0.00 C ATOM 833 CD GLN A 52 2.098 -10.939 -3.628 1.00 0.00 C ATOM 834 OE1 GLN A 52 1.246 -11.648 -4.164 1.00 0.00 O ATOM 835 NE2 GLN A 52 3.399 -11.184 -3.728 1.00 0.00 N ATOM 0 H GLN A 52 -1.037 -8.632 -2.156 1.00 0.00 H new ATOM 0 HA GLN A 52 1.389 -7.148 -2.198 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.047 -9.148 -4.040 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.565 -8.389 -4.476 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.594 -9.269 -2.387 1.00 0.00 H new ATOM 0 HG3 GLN A 52 1.078 -10.044 -1.974 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.071 -10.570 -3.267 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.727 -11.986 -4.266 1.00 0.00 H new ATOM 844 N VAL A 53 -0.830 -6.450 -4.557 1.00 0.00 N ATOM 845 CA VAL A 53 -1.240 -5.424 -5.508 1.00 0.00 C ATOM 846 C VAL A 53 -1.443 -4.081 -4.816 1.00 0.00 C ATOM 847 O VAL A 53 -0.742 -3.111 -5.103 1.00 0.00 O ATOM 848 CB VAL A 53 -2.542 -5.818 -6.232 1.00 0.00 C ATOM 849 CG1 VAL A 53 -2.975 -4.717 -7.188 1.00 0.00 C ATOM 850 CG2 VAL A 53 -2.363 -7.136 -6.969 1.00 0.00 C ATOM 0 H VAL A 53 -1.429 -7.276 -4.544 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.438 -5.334 -6.241 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.327 -5.949 -5.487 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.896 -5.013 -7.690 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.146 -3.797 -6.630 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.194 -4.552 -7.930 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.292 -7.399 -7.475 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.565 -7.036 -7.705 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -2.103 -7.919 -6.256 1.00 0.00 H new ATOM 860 N TRP A 54 -2.406 -4.033 -3.902 1.00 0.00 N ATOM 861 CA TRP A 54 -2.701 -2.808 -3.167 1.00 0.00 C ATOM 862 C TRP A 54 -1.418 -2.067 -2.805 1.00 0.00 C ATOM 863 O TRP A 54 -1.210 -0.929 -3.222 1.00 0.00 O ATOM 864 CB TRP A 54 -3.495 -3.128 -1.900 1.00 0.00 C ATOM 865 CG TRP A 54 -3.962 -1.908 -1.167 1.00 0.00 C ATOM 866 CD1 TRP A 54 -5.170 -1.285 -1.297 1.00 0.00 C ATOM 867 CD2 TRP A 54 -3.227 -1.161 -0.192 1.00 0.00 C ATOM 868 NE1 TRP A 54 -5.231 -0.197 -0.461 1.00 0.00 N ATOM 869 CE2 TRP A 54 -4.051 -0.099 0.228 1.00 0.00 C ATOM 870 CE3 TRP A 54 -1.952 -1.286 0.370 1.00 0.00 C ATOM 871 CZ2 TRP A 54 -3.642 0.831 1.182 1.00 0.00 C ATOM 872 CZ3 TRP A 54 -1.547 -0.363 1.315 1.00 0.00 C ATOM 873 CH2 TRP A 54 -2.390 0.683 1.714 1.00 0.00 C ATOM 0 H TRP A 54 -2.995 -4.827 -3.652 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.301 -2.164 -3.810 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.360 -3.736 -2.166 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.875 -3.728 -1.234 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.962 -1.601 -1.960 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.026 0.435 -0.368 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.296 -2.090 0.070 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.289 1.639 1.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.564 -0.449 1.754 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.044 1.387 2.457 1.00 0.00 H new ATOM 884 N PHE A 55 -0.562 -2.722 -2.028 1.00 0.00 N ATOM 885 CA PHE A 55 0.700 -2.125 -1.610 1.00 0.00 C ATOM 886 C PHE A 55 1.492 -1.625 -2.814 1.00 0.00 C ATOM 887 O PHE A 55 1.895 -0.464 -2.867 1.00 0.00 O ATOM 888 CB PHE A 55 1.533 -3.140 -0.823 1.00 0.00 C ATOM 889 CG PHE A 55 1.271 -3.114 0.656 1.00 0.00 C ATOM 890 CD1 PHE A 55 0.096 -3.634 1.173 1.00 0.00 C ATOM 891 CD2 PHE A 55 2.199 -2.568 1.527 1.00 0.00 C ATOM 892 CE1 PHE A 55 -0.148 -3.613 2.533 1.00 0.00 C ATOM 893 CE2 PHE A 55 1.961 -2.544 2.888 1.00 0.00 C ATOM 894 CZ PHE A 55 0.786 -3.065 3.392 1.00 0.00 C ATOM 0 H PHE A 55 -0.720 -3.666 -1.675 1.00 0.00 H new ATOM 0 HA PHE A 55 0.474 -1.274 -0.968 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.326 -4.140 -1.203 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.591 -2.945 -1.000 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.638 -4.061 0.506 1.00 0.00 H new ATOM 0 HD2 PHE A 55 3.119 -2.156 1.138 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.067 -4.024 2.924 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.694 -2.118 3.557 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.597 -3.044 4.455 1.00 0.00 H new ATOM 904 N GLN A 56 1.710 -2.512 -3.780 1.00 0.00 N ATOM 905 CA GLN A 56 2.455 -2.162 -4.984 1.00 0.00 C ATOM 906 C GLN A 56 1.905 -0.885 -5.611 1.00 0.00 C ATOM 907 O GLN A 56 2.658 -0.066 -6.137 1.00 0.00 O ATOM 908 CB GLN A 56 2.397 -3.307 -5.996 1.00 0.00 C ATOM 909 CG GLN A 56 3.322 -4.465 -5.659 1.00 0.00 C ATOM 910 CD GLN A 56 3.730 -5.261 -6.882 1.00 0.00 C ATOM 911 OE1 GLN A 56 3.328 -4.948 -8.004 1.00 0.00 O ATOM 912 NE2 GLN A 56 4.534 -6.298 -6.673 1.00 0.00 N ATOM 0 H GLN A 56 1.382 -3.477 -3.752 1.00 0.00 H new ATOM 0 HA GLN A 56 3.493 -1.989 -4.702 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.373 -3.676 -6.056 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.655 -2.922 -6.983 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.215 -4.080 -5.166 1.00 0.00 H new ATOM 0 HG3 GLN A 56 2.826 -5.126 -4.949 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.843 -6.521 -5.727 1.00 0.00 H new ATOM 0 HE22 GLN A 56 4.842 -6.871 -7.459 1.00 0.00 H new ATOM 921 N ASN A 57 0.588 -0.722 -5.552 1.00 0.00 N ATOM 922 CA ASN A 57 -0.063 0.456 -6.115 1.00 0.00 C ATOM 923 C ASN A 57 0.177 1.682 -5.239 1.00 0.00 C ATOM 924 O ASN A 57 0.207 2.810 -5.728 1.00 0.00 O ATOM 925 CB ASN A 57 -1.566 0.211 -6.266 1.00 0.00 C ATOM 926 CG ASN A 57 -1.921 -0.390 -7.613 1.00 0.00 C ATOM 927 OD1 ASN A 57 -1.310 -0.065 -8.631 1.00 0.00 O ATOM 928 ND2 ASN A 57 -2.914 -1.272 -7.624 1.00 0.00 N ATOM 0 H ASN A 57 -0.050 -1.390 -5.120 1.00 0.00 H new ATOM 0 HA ASN A 57 0.369 0.643 -7.098 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.904 -0.456 -5.473 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.100 1.153 -6.139 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.198 -1.710 -8.501 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -3.393 -1.512 -6.756 1.00 0.00 H new ATOM 935 N ALA A 58 0.351 1.450 -3.942 1.00 0.00 N ATOM 936 CA ALA A 58 0.592 2.534 -2.998 1.00 0.00 C ATOM 937 C ALA A 58 1.920 3.228 -3.286 1.00 0.00 C ATOM 938 O ALA A 58 1.992 4.456 -3.331 1.00 0.00 O ATOM 939 CB ALA A 58 0.567 2.008 -1.571 1.00 0.00 C ATOM 0 H ALA A 58 0.330 0.521 -3.521 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.205 3.268 -3.116 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.749 2.829 -0.877 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.407 1.566 -1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.342 1.251 -1.448 1.00 0.00 H new ATOM 945 N ARG A 59 2.967 2.433 -3.478 1.00 0.00 N ATOM 946 CA ARG A 59 4.293 2.971 -3.760 1.00 0.00 C ATOM 947 C ARG A 59 4.259 3.889 -4.977 1.00 0.00 C ATOM 948 O ARG A 59 4.931 4.920 -5.007 1.00 0.00 O ATOM 949 CB ARG A 59 5.289 1.833 -3.993 1.00 0.00 C ATOM 950 CG ARG A 59 5.755 1.159 -2.712 1.00 0.00 C ATOM 951 CD ARG A 59 6.732 2.036 -1.945 1.00 0.00 C ATOM 952 NE ARG A 59 8.089 1.935 -2.475 1.00 0.00 N ATOM 953 CZ ARG A 59 9.120 2.619 -1.990 1.00 0.00 C ATOM 954 NH1 ARG A 59 8.949 3.450 -0.971 1.00 0.00 N ATOM 955 NH2 ARG A 59 10.325 2.472 -2.525 1.00 0.00 N ATOM 0 H ARG A 59 2.923 1.415 -3.444 1.00 0.00 H new ATOM 0 HA ARG A 59 4.613 3.554 -2.896 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.829 1.086 -4.640 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.157 2.224 -4.524 1.00 0.00 H new ATOM 0 HG2 ARG A 59 4.893 0.936 -2.083 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.229 0.207 -2.952 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.401 3.074 -1.991 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.731 1.747 -0.894 1.00 0.00 H new ATOM 0 HE ARG A 59 8.254 1.305 -3.260 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.024 3.566 -0.557 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.742 3.973 -0.601 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.461 1.834 -3.309 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.116 2.997 -2.152 1.00 0.00 H new