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 35 LYS NZ :NH3+ -104:sc= 0.366 (180deg=0) USER MOD Set 1.2: A 39 GLN : amide:sc= 0.373 K(o=0.74,f=-2.6) USER MOD Set 2.1: A 25 TYR OH : rot -153:sc= 0.439 USER MOD Set 2.2: A 29 ASN : amide:sc= -0.521 K(o=-0.082,f=-1.1!) USER MOD Set 3.1: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 17 HIS : no HD1:sc= -14.3! C(o=-14!,f=-10!) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 18 GLN : amide:sc= -3.14! C(o=-3.1!,f=-4.5!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl -160:sc= -0.141 (180deg=-0.441) USER MOD Single : A 23 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.063) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -0.698 K(o=-0.7,f=-0.083) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.154 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0131 USER MOD Single : A 48 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00878) USER MOD Single : A 52 GLN : amide:sc= -2.56! C(o=-2.6!,f=-5.8!) USER MOD Single : A 56 GLN : amide:sc= -0.367 K(o=-0.37,f=-11!) USER MOD Single : A 57 ASN : amide:sc= -0.147 K(o=-0.15,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 178 N PHE A 14 -12.573 -1.178 -0.817 1.00 0.00 N ATOM 179 CA PHE A 14 -12.133 -1.808 0.422 1.00 0.00 C ATOM 180 C PHE A 14 -12.839 -1.191 1.627 1.00 0.00 C ATOM 181 O PHE A 14 -13.567 -0.206 1.497 1.00 0.00 O ATOM 182 CB PHE A 14 -10.617 -1.669 0.580 1.00 0.00 C ATOM 183 CG PHE A 14 -9.835 -2.439 -0.447 1.00 0.00 C ATOM 184 CD1 PHE A 14 -9.879 -3.823 -0.475 1.00 0.00 C ATOM 185 CD2 PHE A 14 -9.057 -1.777 -1.382 1.00 0.00 C ATOM 186 CE1 PHE A 14 -9.161 -4.534 -1.418 1.00 0.00 C ATOM 187 CE2 PHE A 14 -8.336 -2.483 -2.327 1.00 0.00 C ATOM 188 CZ PHE A 14 -8.388 -3.863 -2.346 1.00 0.00 C ATOM 0 HA PHE A 14 -12.391 -2.866 0.373 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.348 -0.615 0.515 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -10.330 -2.010 1.575 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -10.481 -4.353 0.248 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -9.013 -0.698 -1.373 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.204 -5.613 -1.429 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.732 -1.955 -3.050 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.826 -4.416 -3.084 1.00 0.00 H new ATOM 198 N LYS A 15 -12.619 -1.779 2.799 1.00 0.00 N ATOM 199 CA LYS A 15 -13.232 -1.288 4.027 1.00 0.00 C ATOM 200 C LYS A 15 -12.284 -0.356 4.774 1.00 0.00 C ATOM 201 O LYS A 15 -11.108 -0.239 4.425 1.00 0.00 O ATOM 202 CB LYS A 15 -13.626 -2.461 4.928 1.00 0.00 C ATOM 203 CG LYS A 15 -14.268 -3.615 4.177 1.00 0.00 C ATOM 204 CD LYS A 15 -15.776 -3.456 4.095 1.00 0.00 C ATOM 205 CE LYS A 15 -16.442 -4.717 3.566 1.00 0.00 C ATOM 206 NZ LYS A 15 -16.770 -5.672 4.661 1.00 0.00 N ATOM 0 H LYS A 15 -12.021 -2.596 2.923 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.127 -0.727 3.758 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.739 -2.824 5.446 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.318 -2.106 5.692 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.852 -3.672 3.171 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.027 -4.554 4.675 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.172 -3.221 5.083 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.019 -2.615 3.446 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.354 -4.450 3.032 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.782 -5.202 2.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -17.222 -6.518 4.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -15.897 -5.947 5.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -17.420 -5.218 5.334 1.00 0.00 H new ATOM 220 N HIS A 16 -12.800 0.305 5.804 1.00 0.00 N ATOM 221 CA HIS A 16 -11.999 1.226 6.603 1.00 0.00 C ATOM 222 C HIS A 16 -11.355 0.504 7.782 1.00 0.00 C ATOM 223 O HIS A 16 -10.493 1.057 8.466 1.00 0.00 O ATOM 224 CB HIS A 16 -12.862 2.382 7.107 1.00 0.00 C ATOM 225 CG HIS A 16 -13.082 3.457 6.086 1.00 0.00 C ATOM 226 ND1 HIS A 16 -14.291 3.663 5.458 1.00 0.00 N ATOM 227 CD2 HIS A 16 -12.237 4.389 5.587 1.00 0.00 C ATOM 228 CE1 HIS A 16 -14.180 4.674 4.614 1.00 0.00 C ATOM 229 NE2 HIS A 16 -12.943 5.132 4.674 1.00 0.00 N ATOM 0 H HIS A 16 -13.771 0.220 6.106 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.208 1.624 5.968 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.829 1.991 7.425 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.390 2.819 7.987 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -11.200 4.523 5.857 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.967 5.060 3.983 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -12.572 5.911 4.130 1.00 0.00 H new ATOM 238 N HIS A 17 -11.779 -0.733 8.015 1.00 0.00 N ATOM 239 CA HIS A 17 -11.244 -1.532 9.112 1.00 0.00 C ATOM 240 C HIS A 17 -9.971 -2.257 8.686 1.00 0.00 C ATOM 241 O HIS A 17 -8.964 -2.229 9.393 1.00 0.00 O ATOM 242 CB HIS A 17 -12.286 -2.544 9.591 1.00 0.00 C ATOM 243 CG HIS A 17 -12.809 -3.426 8.499 1.00 0.00 C ATOM 244 ND1 HIS A 17 -14.070 -3.286 7.959 1.00 0.00 N ATOM 245 CD2 HIS A 17 -12.234 -4.462 7.845 1.00 0.00 C ATOM 246 CE1 HIS A 17 -14.248 -4.199 7.021 1.00 0.00 C ATOM 247 NE2 HIS A 17 -13.148 -4.925 6.932 1.00 0.00 N ATOM 0 H HIS A 17 -12.492 -1.205 7.459 1.00 0.00 H new ATOM 0 HA HIS A 17 -11.000 -0.858 9.933 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -11.845 -3.166 10.370 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -13.120 -2.008 10.045 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -11.241 -4.852 8.011 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.141 -4.330 6.428 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -13.002 -5.703 6.289 1.00 0.00 H new ATOM 256 N GLN A 18 -10.024 -2.905 7.527 1.00 0.00 N ATOM 257 CA GLN A 18 -8.876 -3.639 7.009 1.00 0.00 C ATOM 258 C GLN A 18 -7.785 -2.681 6.541 1.00 0.00 C ATOM 259 O GLN A 18 -6.606 -2.868 6.849 1.00 0.00 O ATOM 260 CB GLN A 18 -9.302 -4.546 5.854 1.00 0.00 C ATOM 261 CG GLN A 18 -10.436 -3.974 5.017 1.00 0.00 C ATOM 262 CD GLN A 18 -10.378 -4.425 3.571 1.00 0.00 C ATOM 263 OE1 GLN A 18 -11.072 -5.361 3.172 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.548 -3.761 2.775 1.00 0.00 N ATOM 0 H GLN A 18 -10.850 -2.937 6.929 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.476 -4.253 7.815 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.442 -4.728 5.210 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.609 -5.512 6.256 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.390 -4.275 5.450 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.398 -2.885 5.056 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.991 -2.991 3.147 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.467 -4.020 1.792 1.00 0.00 H new ATOM 273 N LEU A 19 -8.183 -1.655 5.798 1.00 0.00 N ATOM 274 CA LEU A 19 -7.238 -0.667 5.288 1.00 0.00 C ATOM 275 C LEU A 19 -6.494 0.015 6.431 1.00 0.00 C ATOM 276 O LEU A 19 -5.305 0.317 6.318 1.00 0.00 O ATOM 277 CB LEU A 19 -7.969 0.378 4.443 1.00 0.00 C ATOM 278 CG LEU A 19 -8.094 0.069 2.951 1.00 0.00 C ATOM 279 CD1 LEU A 19 -9.062 1.033 2.285 1.00 0.00 C ATOM 280 CD2 LEU A 19 -6.729 0.132 2.279 1.00 0.00 C ATOM 0 H LEU A 19 -9.154 -1.485 5.535 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.510 -1.185 4.664 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.971 0.509 4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.452 1.331 4.554 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.487 -0.942 2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -9.138 0.797 1.223 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -10.044 0.940 2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -8.699 2.054 2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.836 -0.090 1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.310 1.131 2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.063 -0.599 2.738 1.00 0.00 H new ATOM 292 N ARG A 20 -7.201 0.255 7.530 1.00 0.00 N ATOM 293 CA ARG A 20 -6.607 0.902 8.694 1.00 0.00 C ATOM 294 C ARG A 20 -5.331 0.183 9.124 1.00 0.00 C ATOM 295 O ARG A 20 -4.377 0.809 9.588 1.00 0.00 O ATOM 296 CB ARG A 20 -7.604 0.930 9.854 1.00 0.00 C ATOM 297 CG ARG A 20 -7.020 1.473 11.147 1.00 0.00 C ATOM 298 CD ARG A 20 -6.830 2.980 11.083 1.00 0.00 C ATOM 299 NE ARG A 20 -8.092 3.699 11.244 1.00 0.00 N ATOM 300 CZ ARG A 20 -8.180 5.022 11.323 1.00 0.00 C ATOM 301 NH1 ARG A 20 -7.085 5.767 11.256 1.00 0.00 N ATOM 302 NH2 ARG A 20 -9.364 5.601 11.470 1.00 0.00 N ATOM 0 H ARG A 20 -8.185 0.011 7.639 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.352 1.925 8.418 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.462 1.539 9.569 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.974 -0.080 10.029 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.679 1.223 11.978 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.062 0.992 11.345 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -6.134 3.291 11.862 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.379 3.248 10.127 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.953 3.155 11.299 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.173 5.324 11.144 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.155 6.783 11.317 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -10.208 5.030 11.522 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.431 6.617 11.531 1.00 0.00 H new ATOM 316 N THR A 21 -5.321 -1.138 8.966 1.00 0.00 N ATOM 317 CA THR A 21 -4.165 -1.944 9.339 1.00 0.00 C ATOM 318 C THR A 21 -3.067 -1.849 8.285 1.00 0.00 C ATOM 319 O THR A 21 -1.881 -1.830 8.612 1.00 0.00 O ATOM 320 CB THR A 21 -4.549 -3.422 9.532 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.364 -3.567 10.701 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.307 -4.291 9.663 1.00 0.00 C ATOM 0 H THR A 21 -6.101 -1.672 8.582 1.00 0.00 H new ATOM 0 HA THR A 21 -3.794 -1.547 10.284 1.00 0.00 H new ATOM 0 HB THR A 21 -5.110 -3.747 8.655 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.606 -4.510 10.816 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.603 -5.331 9.799 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.703 -4.201 8.760 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.724 -3.965 10.524 1.00 0.00 H new ATOM 330 N MET A 22 -3.470 -1.790 7.021 1.00 0.00 N ATOM 331 CA MET A 22 -2.519 -1.696 5.919 1.00 0.00 C ATOM 332 C MET A 22 -1.954 -0.284 5.807 1.00 0.00 C ATOM 333 O MET A 22 -0.756 -0.067 5.991 1.00 0.00 O ATOM 334 CB MET A 22 -3.189 -2.095 4.603 1.00 0.00 C ATOM 335 CG MET A 22 -3.424 -3.592 4.470 1.00 0.00 C ATOM 336 SD MET A 22 -3.539 -4.127 2.752 1.00 0.00 S ATOM 337 CE MET A 22 -5.220 -3.647 2.360 1.00 0.00 C ATOM 0 H MET A 22 -4.449 -1.806 6.734 1.00 0.00 H new ATOM 0 HA MET A 22 -1.697 -2.382 6.123 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.144 -1.577 4.519 1.00 0.00 H new ATOM 0 HB3 MET A 22 -2.569 -1.758 3.772 1.00 0.00 H new ATOM 0 HG2 MET A 22 -2.611 -4.128 4.960 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.343 -3.859 4.992 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.565 -4.206 1.490 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.868 -3.863 3.210 1.00 0.00 H new ATOM 0 HE3 MET A 22 -5.252 -2.580 2.141 1.00 0.00 H new ATOM 347 N LYS A 23 -2.824 0.674 5.506 1.00 0.00 N ATOM 348 CA LYS A 23 -2.413 2.067 5.370 1.00 0.00 C ATOM 349 C LYS A 23 -1.414 2.447 6.457 1.00 0.00 C ATOM 350 O LYS A 23 -0.374 3.043 6.177 1.00 0.00 O ATOM 351 CB LYS A 23 -3.632 2.989 5.438 1.00 0.00 C ATOM 352 CG LYS A 23 -4.548 2.876 4.231 1.00 0.00 C ATOM 353 CD LYS A 23 -5.378 4.135 4.042 1.00 0.00 C ATOM 354 CE LYS A 23 -5.768 4.332 2.585 1.00 0.00 C ATOM 355 NZ LYS A 23 -4.618 4.799 1.762 1.00 0.00 N ATOM 0 H LYS A 23 -3.819 0.511 5.351 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.930 2.185 4.400 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.201 2.759 6.339 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.292 4.021 5.531 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.952 2.694 3.337 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -5.209 2.018 4.354 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.277 4.075 4.655 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.813 5.000 4.389 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.147 3.394 2.180 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.579 5.057 2.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.964 5.131 0.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.135 5.579 2.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.951 4.014 1.620 1.00 0.00 H new ATOM 369 N SER A 24 -1.736 2.098 7.700 1.00 0.00 N ATOM 370 CA SER A 24 -0.866 2.405 8.829 1.00 0.00 C ATOM 371 C SER A 24 0.502 1.755 8.654 1.00 0.00 C ATOM 372 O SER A 24 1.524 2.321 9.042 1.00 0.00 O ATOM 373 CB SER A 24 -1.507 1.930 10.135 1.00 0.00 C ATOM 374 OG SER A 24 -0.759 2.368 11.258 1.00 0.00 O ATOM 0 H SER A 24 -2.592 1.603 7.949 1.00 0.00 H new ATOM 0 HA SER A 24 -0.731 3.486 8.870 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.527 2.309 10.203 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.571 0.842 10.138 1.00 0.00 H new ATOM 0 HG SER A 24 -1.189 2.053 12.080 1.00 0.00 H new ATOM 380 N TYR A 25 0.513 0.562 8.068 1.00 0.00 N ATOM 381 CA TYR A 25 1.755 -0.168 7.845 1.00 0.00 C ATOM 382 C TYR A 25 2.602 0.515 6.775 1.00 0.00 C ATOM 383 O TYR A 25 3.818 0.644 6.919 1.00 0.00 O ATOM 384 CB TYR A 25 1.456 -1.610 7.430 1.00 0.00 C ATOM 385 CG TYR A 25 2.686 -2.486 7.360 1.00 0.00 C ATOM 386 CD1 TYR A 25 3.491 -2.498 6.227 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.042 -3.303 8.426 1.00 0.00 C ATOM 388 CE1 TYR A 25 4.615 -3.298 6.158 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.165 -4.106 8.366 1.00 0.00 C ATOM 390 CZ TYR A 25 4.948 -4.101 7.231 1.00 0.00 C ATOM 391 OH TYR A 25 6.067 -4.898 7.166 1.00 0.00 O ATOM 0 H TYR A 25 -0.324 0.081 7.739 1.00 0.00 H new ATOM 0 HA TYR A 25 2.316 -0.175 8.779 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.750 -2.044 8.138 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.967 -1.605 6.456 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.233 -1.871 5.386 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.431 -3.311 9.316 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.230 -3.295 5.270 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.428 -4.734 9.204 1.00 0.00 H new ATOM 0 HH TYR A 25 5.948 -5.677 7.749 1.00 0.00 H new ATOM 401 N PHE A 26 1.951 0.953 5.703 1.00 0.00 N ATOM 402 CA PHE A 26 2.643 1.622 4.608 1.00 0.00 C ATOM 403 C PHE A 26 3.648 2.639 5.141 1.00 0.00 C ATOM 404 O PHE A 26 4.671 2.907 4.510 1.00 0.00 O ATOM 405 CB PHE A 26 1.636 2.317 3.690 1.00 0.00 C ATOM 406 CG PHE A 26 2.279 3.125 2.597 1.00 0.00 C ATOM 407 CD1 PHE A 26 2.878 2.498 1.516 1.00 0.00 C ATOM 408 CD2 PHE A 26 2.284 4.509 2.652 1.00 0.00 C ATOM 409 CE1 PHE A 26 3.470 3.237 0.509 1.00 0.00 C ATOM 410 CE2 PHE A 26 2.874 5.253 1.648 1.00 0.00 C ATOM 411 CZ PHE A 26 3.468 4.618 0.576 1.00 0.00 C ATOM 0 H PHE A 26 0.944 0.857 5.569 1.00 0.00 H new ATOM 0 HA PHE A 26 3.184 0.867 4.037 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.986 1.565 3.241 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.001 2.970 4.289 1.00 0.00 H new ATOM 0 HD1 PHE A 26 2.882 1.419 1.460 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.822 5.012 3.489 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.933 2.737 -0.329 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.870 6.332 1.702 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.930 5.199 -0.209 1.00 0.00 H new ATOM 421 N ALA A 27 3.350 3.202 6.307 1.00 0.00 N ATOM 422 CA ALA A 27 4.226 4.188 6.927 1.00 0.00 C ATOM 423 C ALA A 27 5.384 3.513 7.654 1.00 0.00 C ATOM 424 O ALA A 27 6.487 4.056 7.725 1.00 0.00 O ATOM 425 CB ALA A 27 3.438 5.067 7.887 1.00 0.00 C ATOM 0 H ALA A 27 2.507 2.992 6.842 1.00 0.00 H new ATOM 0 HA ALA A 27 4.642 4.814 6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.106 5.798 8.342 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.650 5.586 7.342 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.993 4.448 8.666 1.00 0.00 H new ATOM 431 N ILE A 28 5.126 2.327 8.193 1.00 0.00 N ATOM 432 CA ILE A 28 6.147 1.578 8.916 1.00 0.00 C ATOM 433 C ILE A 28 7.128 0.916 7.953 1.00 0.00 C ATOM 434 O ILE A 28 8.342 1.055 8.096 1.00 0.00 O ATOM 435 CB ILE A 28 5.521 0.496 9.815 1.00 0.00 C ATOM 436 CG1 ILE A 28 4.514 1.125 10.781 1.00 0.00 C ATOM 437 CG2 ILE A 28 6.605 -0.247 10.583 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.387 0.193 11.168 1.00 0.00 C ATOM 0 H ILE A 28 4.219 1.863 8.143 1.00 0.00 H new ATOM 0 HA ILE A 28 6.680 2.294 9.541 1.00 0.00 H new ATOM 0 HB ILE A 28 4.994 -0.219 9.184 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.037 1.444 11.682 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.094 2.020 10.323 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.147 -1.009 11.214 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.289 -0.722 9.879 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.157 0.457 11.206 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.711 0.704 11.854 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.839 -0.106 10.274 1.00 0.00 H new ATOM 0 HD13 ILE A 28 3.797 -0.692 11.655 1.00 0.00 H new ATOM 450 N ASN A 29 6.592 0.199 6.970 1.00 0.00 N ATOM 451 CA ASN A 29 7.420 -0.482 5.983 1.00 0.00 C ATOM 452 C ASN A 29 6.742 -0.488 4.615 1.00 0.00 C ATOM 453 O ASN A 29 5.563 -0.820 4.497 1.00 0.00 O ATOM 454 CB ASN A 29 7.706 -1.917 6.429 1.00 0.00 C ATOM 455 CG ASN A 29 8.895 -2.521 5.708 1.00 0.00 C ATOM 456 OD1 ASN A 29 9.789 -1.805 5.252 1.00 0.00 O ATOM 457 ND2 ASN A 29 8.913 -3.844 5.600 1.00 0.00 N ATOM 0 H ASN A 29 5.588 0.075 6.837 1.00 0.00 H new ATOM 0 HA ASN A 29 8.362 0.060 5.900 1.00 0.00 H new ATOM 0 HB2 ASN A 29 7.891 -1.931 7.503 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.825 -2.533 6.249 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.688 -4.306 5.125 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.152 -4.398 5.992 1.00 0.00 H new ATOM 464 N HIS A 30 7.497 -0.118 3.586 1.00 0.00 N ATOM 465 CA HIS A 30 6.969 -0.082 2.225 1.00 0.00 C ATOM 466 C HIS A 30 7.065 -1.456 1.570 1.00 0.00 C ATOM 467 O HIS A 30 6.123 -1.914 0.924 1.00 0.00 O ATOM 468 CB HIS A 30 7.727 0.950 1.390 1.00 0.00 C ATOM 469 CG HIS A 30 7.570 2.355 1.886 1.00 0.00 C ATOM 470 ND1 HIS A 30 8.625 3.235 1.999 1.00 0.00 N ATOM 471 CD2 HIS A 30 6.472 3.030 2.298 1.00 0.00 C ATOM 472 CE1 HIS A 30 8.184 4.391 2.462 1.00 0.00 C ATOM 473 NE2 HIS A 30 6.880 4.293 2.651 1.00 0.00 N ATOM 0 H HIS A 30 8.475 0.161 3.667 1.00 0.00 H new ATOM 0 HA HIS A 30 5.918 0.204 2.275 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.786 0.692 1.383 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.379 0.897 0.358 1.00 0.00 H new ATOM 0 HD2 HIS A 30 5.463 2.647 2.341 1.00 0.00 H new ATOM 0 HE1 HIS A 30 8.786 5.267 2.653 1.00 0.00 H new ATOM 0 HE2 HIS A 30 6.275 5.035 3.002 1.00 0.00 H new ATOM 482 N ASN A 31 8.211 -2.108 1.738 1.00 0.00 N ATOM 483 CA ASN A 31 8.430 -3.429 1.160 1.00 0.00 C ATOM 484 C ASN A 31 8.417 -4.505 2.242 1.00 0.00 C ATOM 485 O ASN A 31 9.460 -4.964 2.709 1.00 0.00 O ATOM 486 CB ASN A 31 9.762 -3.464 0.407 1.00 0.00 C ATOM 487 CG ASN A 31 9.863 -2.372 -0.640 1.00 0.00 C ATOM 488 OD1 ASN A 31 10.751 -1.521 -0.583 1.00 0.00 O ATOM 489 ND2 ASN A 31 8.951 -2.391 -1.605 1.00 0.00 N ATOM 0 H ASN A 31 9.002 -1.743 2.269 1.00 0.00 H new ATOM 0 HA ASN A 31 7.619 -3.632 0.461 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.581 -3.358 1.118 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.880 -4.436 -0.073 1.00 0.00 H new ATOM 0 HD21 ASN A 31 8.969 -1.682 -2.338 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.233 -3.115 -1.614 1.00 0.00 H new ATOM 496 N PRO A 32 7.208 -4.918 2.649 1.00 0.00 N ATOM 497 CA PRO A 32 7.029 -5.947 3.679 1.00 0.00 C ATOM 498 C PRO A 32 7.448 -7.330 3.196 1.00 0.00 C ATOM 499 O PRO A 32 7.212 -7.694 2.043 1.00 0.00 O ATOM 500 CB PRO A 32 5.524 -5.910 3.958 1.00 0.00 C ATOM 501 CG PRO A 32 4.919 -5.380 2.704 1.00 0.00 C ATOM 502 CD PRO A 32 5.923 -4.416 2.136 1.00 0.00 C ATOM 0 HA PRO A 32 7.644 -5.756 4.558 1.00 0.00 H new ATOM 0 HB2 PRO A 32 5.141 -6.903 4.194 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.295 -5.269 4.810 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.710 -6.186 2.000 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.971 -4.882 2.908 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.901 -4.409 1.046 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.730 -3.395 2.465 1.00 0.00 H new ATOM 510 N ASP A 33 8.070 -8.098 4.084 1.00 0.00 N ATOM 511 CA ASP A 33 8.521 -9.444 3.749 1.00 0.00 C ATOM 512 C ASP A 33 7.368 -10.439 3.827 1.00 0.00 C ATOM 513 O ASP A 33 6.390 -10.216 4.541 1.00 0.00 O ATOM 514 CB ASP A 33 9.649 -9.876 4.687 1.00 0.00 C ATOM 515 CG ASP A 33 10.984 -9.266 4.308 1.00 0.00 C ATOM 516 OD1 ASP A 33 11.238 -8.107 4.696 1.00 0.00 O ATOM 517 OD2 ASP A 33 11.774 -9.948 3.621 1.00 0.00 O ATOM 0 H ASP A 33 8.273 -7.811 5.042 1.00 0.00 H new ATOM 0 HA ASP A 33 8.896 -9.430 2.726 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.398 -9.588 5.708 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.733 -10.963 4.673 1.00 0.00 H new ATOM 522 N ALA A 34 7.488 -11.537 3.088 1.00 0.00 N ATOM 523 CA ALA A 34 6.456 -12.567 3.075 1.00 0.00 C ATOM 524 C ALA A 34 5.838 -12.741 4.458 1.00 0.00 C ATOM 525 O ALA A 34 4.620 -12.655 4.620 1.00 0.00 O ATOM 526 CB ALA A 34 7.033 -13.885 2.582 1.00 0.00 C ATOM 0 H ALA A 34 8.290 -11.736 2.490 1.00 0.00 H new ATOM 0 HA ALA A 34 5.668 -12.250 2.391 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.252 -14.645 2.577 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.421 -13.757 1.571 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.841 -14.199 3.243 1.00 0.00 H new ATOM 532 N LYS A 35 6.683 -12.987 5.452 1.00 0.00 N ATOM 533 CA LYS A 35 6.221 -13.173 6.823 1.00 0.00 C ATOM 534 C LYS A 35 5.192 -12.112 7.199 1.00 0.00 C ATOM 535 O LYS A 35 4.140 -12.424 7.757 1.00 0.00 O ATOM 536 CB LYS A 35 7.403 -13.120 7.794 1.00 0.00 C ATOM 537 CG LYS A 35 7.205 -13.965 9.040 1.00 0.00 C ATOM 538 CD LYS A 35 6.259 -13.296 10.023 1.00 0.00 C ATOM 539 CE LYS A 35 6.904 -12.087 10.684 1.00 0.00 C ATOM 540 NZ LYS A 35 6.362 -11.846 12.049 1.00 0.00 N ATOM 0 H LYS A 35 7.693 -13.062 5.334 1.00 0.00 H new ATOM 0 HA LYS A 35 5.748 -14.153 6.890 1.00 0.00 H new ATOM 0 HB2 LYS A 35 8.302 -13.455 7.277 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.573 -12.085 8.090 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.809 -14.941 8.760 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.168 -14.138 9.520 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.352 -12.987 9.504 1.00 0.00 H new ATOM 0 HD3 LYS A 35 5.960 -14.013 10.787 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.982 -12.237 10.743 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.738 -11.204 10.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.704 -11.041 12.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.859 -12.695 12.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.144 -11.633 12.701 1.00 0.00 H new ATOM 554 N ASP A 36 5.501 -10.858 6.888 1.00 0.00 N ATOM 555 CA ASP A 36 4.602 -9.752 7.191 1.00 0.00 C ATOM 556 C ASP A 36 3.319 -9.853 6.372 1.00 0.00 C ATOM 557 O ASP A 36 2.218 -9.686 6.898 1.00 0.00 O ATOM 558 CB ASP A 36 5.293 -8.415 6.916 1.00 0.00 C ATOM 559 CG ASP A 36 6.609 -8.280 7.656 1.00 0.00 C ATOM 560 OD1 ASP A 36 7.534 -9.069 7.370 1.00 0.00 O ATOM 561 OD2 ASP A 36 6.715 -7.385 8.520 1.00 0.00 O ATOM 0 H ASP A 36 6.368 -10.583 6.426 1.00 0.00 H new ATOM 0 HA ASP A 36 4.342 -9.808 8.248 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.470 -8.314 5.845 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.630 -7.600 7.208 1.00 0.00 H new ATOM 566 N LEU A 37 3.469 -10.126 5.081 1.00 0.00 N ATOM 567 CA LEU A 37 2.322 -10.250 4.187 1.00 0.00 C ATOM 568 C LEU A 37 1.300 -11.235 4.745 1.00 0.00 C ATOM 569 O LEU A 37 0.130 -10.896 4.926 1.00 0.00 O ATOM 570 CB LEU A 37 2.778 -10.703 2.799 1.00 0.00 C ATOM 571 CG LEU A 37 3.164 -9.591 1.823 1.00 0.00 C ATOM 572 CD1 LEU A 37 3.883 -10.168 0.614 1.00 0.00 C ATOM 573 CD2 LEU A 37 1.932 -8.811 1.390 1.00 0.00 C ATOM 0 H LEU A 37 4.373 -10.266 4.629 1.00 0.00 H new ATOM 0 HA LEU A 37 1.849 -9.271 4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.634 -11.367 2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.978 -11.292 2.350 1.00 0.00 H new ATOM 0 HG LEU A 37 3.843 -8.907 2.332 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.150 -9.362 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.787 -10.682 0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.228 -10.874 0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.225 -8.024 0.696 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.229 -9.484 0.899 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.458 -8.365 2.264 1.00 0.00 H new ATOM 585 N LYS A 38 1.750 -12.455 5.019 1.00 0.00 N ATOM 586 CA LYS A 38 0.876 -13.489 5.561 1.00 0.00 C ATOM 587 C LYS A 38 0.193 -13.010 6.839 1.00 0.00 C ATOM 588 O LYS A 38 -0.973 -13.319 7.082 1.00 0.00 O ATOM 589 CB LYS A 38 1.675 -14.763 5.845 1.00 0.00 C ATOM 590 CG LYS A 38 2.877 -14.539 6.746 1.00 0.00 C ATOM 591 CD LYS A 38 3.551 -15.852 7.112 1.00 0.00 C ATOM 592 CE LYS A 38 4.530 -16.295 6.036 1.00 0.00 C ATOM 593 NZ LYS A 38 5.633 -17.124 6.595 1.00 0.00 N ATOM 0 H LYS A 38 2.715 -12.752 4.875 1.00 0.00 H new ATOM 0 HA LYS A 38 0.108 -13.706 4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.017 -15.499 6.307 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.014 -15.187 4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.593 -13.889 6.244 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.562 -14.025 7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.077 -15.740 8.060 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.794 -16.623 7.256 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.998 -16.865 5.274 1.00 0.00 H new ATOM 0 HE3 LYS A 38 4.949 -15.418 5.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.278 -17.405 5.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.157 -16.572 7.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.236 -17.974 7.043 1.00 0.00 H new ATOM 607 N GLN A 39 0.927 -12.254 7.650 1.00 0.00 N ATOM 608 CA GLN A 39 0.391 -11.733 8.901 1.00 0.00 C ATOM 609 C GLN A 39 -0.780 -10.790 8.640 1.00 0.00 C ATOM 610 O GLN A 39 -1.814 -10.870 9.304 1.00 0.00 O ATOM 611 CB GLN A 39 1.484 -11.004 9.685 1.00 0.00 C ATOM 612 CG GLN A 39 2.429 -11.938 10.421 1.00 0.00 C ATOM 613 CD GLN A 39 3.248 -11.225 11.480 1.00 0.00 C ATOM 614 OE1 GLN A 39 4.037 -10.331 11.173 1.00 0.00 O ATOM 615 NE2 GLN A 39 3.065 -11.618 12.735 1.00 0.00 N ATOM 0 H GLN A 39 1.894 -11.989 7.463 1.00 0.00 H new ATOM 0 HA GLN A 39 0.031 -12.575 9.492 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.061 -10.384 8.998 1.00 0.00 H new ATOM 0 HB3 GLN A 39 1.017 -10.332 10.405 1.00 0.00 H new ATOM 0 HG2 GLN A 39 1.853 -12.736 10.889 1.00 0.00 H new ATOM 0 HG3 GLN A 39 3.101 -12.408 9.703 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.401 -12.363 12.944 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.589 -11.175 13.490 1.00 0.00 H new ATOM 624 N LEU A 40 -0.610 -9.897 7.672 1.00 0.00 N ATOM 625 CA LEU A 40 -1.651 -8.937 7.323 1.00 0.00 C ATOM 626 C LEU A 40 -2.880 -9.647 6.763 1.00 0.00 C ATOM 627 O LEU A 40 -4.010 -9.344 7.142 1.00 0.00 O ATOM 628 CB LEU A 40 -1.122 -7.928 6.304 1.00 0.00 C ATOM 629 CG LEU A 40 -0.175 -6.858 6.847 1.00 0.00 C ATOM 630 CD1 LEU A 40 0.752 -6.358 5.750 1.00 0.00 C ATOM 631 CD2 LEU A 40 -0.962 -5.704 7.451 1.00 0.00 C ATOM 0 H LEU A 40 0.240 -9.818 7.114 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.942 -8.408 8.230 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.605 -8.475 5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.974 -7.430 5.841 1.00 0.00 H new ATOM 0 HG LEU A 40 0.434 -7.305 7.632 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.419 -5.597 6.156 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.342 -7.190 5.365 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.160 -5.928 4.941 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.271 -4.952 7.832 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.598 -5.258 6.686 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.582 -6.074 8.268 1.00 0.00 H new ATOM 643 N ALA A 41 -2.648 -10.596 5.862 1.00 0.00 N ATOM 644 CA ALA A 41 -3.736 -11.352 5.252 1.00 0.00 C ATOM 645 C ALA A 41 -4.798 -11.715 6.285 1.00 0.00 C ATOM 646 O ALA A 41 -5.965 -11.906 5.946 1.00 0.00 O ATOM 647 CB ALA A 41 -3.195 -12.607 4.583 1.00 0.00 C ATOM 0 H ALA A 41 -1.717 -10.860 5.538 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.204 -10.723 4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.017 -13.162 4.132 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.479 -12.328 3.810 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.701 -13.232 5.327 1.00 0.00 H new ATOM 653 N GLN A 42 -4.384 -11.809 7.544 1.00 0.00 N ATOM 654 CA GLN A 42 -5.301 -12.152 8.625 1.00 0.00 C ATOM 655 C GLN A 42 -5.909 -10.897 9.241 1.00 0.00 C ATOM 656 O GLN A 42 -7.129 -10.772 9.347 1.00 0.00 O ATOM 657 CB GLN A 42 -4.574 -12.962 9.700 1.00 0.00 C ATOM 658 CG GLN A 42 -4.187 -14.361 9.251 1.00 0.00 C ATOM 659 CD GLN A 42 -4.137 -15.350 10.399 1.00 0.00 C ATOM 660 OE1 GLN A 42 -3.469 -15.116 11.407 1.00 0.00 O ATOM 661 NE2 GLN A 42 -4.844 -16.464 10.252 1.00 0.00 N ATOM 0 H GLN A 42 -3.421 -11.653 7.841 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.106 -12.756 8.207 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.675 -12.425 10.002 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.212 -13.036 10.581 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -4.902 -14.710 8.507 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.212 -14.326 8.764 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -5.383 -16.617 9.400 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -4.848 -17.167 10.991 1.00 0.00 H new ATOM 670 N LYS A 43 -5.050 -9.967 9.648 1.00 0.00 N ATOM 671 CA LYS A 43 -5.501 -8.719 10.253 1.00 0.00 C ATOM 672 C LYS A 43 -6.557 -8.043 9.384 1.00 0.00 C ATOM 673 O LYS A 43 -7.457 -7.372 9.889 1.00 0.00 O ATOM 674 CB LYS A 43 -4.318 -7.774 10.464 1.00 0.00 C ATOM 675 CG LYS A 43 -3.219 -8.359 11.335 1.00 0.00 C ATOM 676 CD LYS A 43 -2.325 -7.273 11.909 1.00 0.00 C ATOM 677 CE LYS A 43 -0.980 -7.833 12.347 1.00 0.00 C ATOM 678 NZ LYS A 43 -0.153 -6.809 13.042 1.00 0.00 N ATOM 0 H LYS A 43 -4.037 -10.055 9.569 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.947 -8.954 11.219 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.898 -7.509 9.494 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.678 -6.851 10.919 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.664 -8.932 12.148 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.618 -9.053 10.747 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.170 -6.495 11.162 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -2.820 -6.805 12.760 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.139 -8.683 13.011 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.441 -8.205 11.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 0.755 -7.230 13.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.021 -6.009 12.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.656 -6.472 13.887 1.00 0.00 H new ATOM 692 N THR A 44 -6.443 -8.228 8.071 1.00 0.00 N ATOM 693 CA THR A 44 -7.387 -7.636 7.132 1.00 0.00 C ATOM 694 C THR A 44 -8.346 -8.686 6.582 1.00 0.00 C ATOM 695 O THR A 44 -9.494 -8.383 6.260 1.00 0.00 O ATOM 696 CB THR A 44 -6.660 -6.956 5.957 1.00 0.00 C ATOM 697 OG1 THR A 44 -6.065 -7.947 5.110 1.00 0.00 O ATOM 698 CG2 THR A 44 -5.586 -6.005 6.463 1.00 0.00 C ATOM 0 H THR A 44 -5.706 -8.783 7.635 1.00 0.00 H new ATOM 0 HA THR A 44 -7.952 -6.884 7.683 1.00 0.00 H new ATOM 0 HB THR A 44 -7.392 -6.383 5.388 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.389 -8.446 5.615 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.086 -5.537 5.615 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.045 -5.236 7.084 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.857 -6.560 7.053 1.00 0.00 H new ATOM 706 N GLY A 45 -7.867 -9.922 6.476 1.00 0.00 N ATOM 707 CA GLY A 45 -8.695 -10.998 5.966 1.00 0.00 C ATOM 708 C GLY A 45 -8.554 -11.178 4.468 1.00 0.00 C ATOM 709 O GLY A 45 -9.070 -12.141 3.898 1.00 0.00 O ATOM 0 H GLY A 45 -6.919 -10.197 6.735 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.426 -11.928 6.467 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.738 -10.795 6.208 1.00 0.00 H new ATOM 713 N LEU A 46 -7.855 -10.248 3.825 1.00 0.00 N ATOM 714 CA LEU A 46 -7.647 -10.307 2.383 1.00 0.00 C ATOM 715 C LEU A 46 -6.639 -11.394 2.021 1.00 0.00 C ATOM 716 O LEU A 46 -6.168 -12.132 2.886 1.00 0.00 O ATOM 717 CB LEU A 46 -7.163 -8.952 1.861 1.00 0.00 C ATOM 718 CG LEU A 46 -7.913 -7.726 2.382 1.00 0.00 C ATOM 719 CD1 LEU A 46 -7.187 -6.449 1.989 1.00 0.00 C ATOM 720 CD2 LEU A 46 -9.341 -7.712 1.857 1.00 0.00 C ATOM 0 H LEU A 46 -7.423 -9.444 4.280 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.600 -10.551 1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.109 -8.843 2.115 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.230 -8.959 0.773 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.947 -7.780 3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -7.736 -5.587 2.369 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.183 -6.456 2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.121 -6.388 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.860 -6.832 2.238 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.328 -7.682 0.767 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -9.860 -8.611 2.189 1.00 0.00 H new ATOM 732 N THR A 47 -6.311 -11.485 0.736 1.00 0.00 N ATOM 733 CA THR A 47 -5.358 -12.479 0.260 1.00 0.00 C ATOM 734 C THR A 47 -4.017 -11.838 -0.079 1.00 0.00 C ATOM 735 O THR A 47 -3.953 -10.668 -0.453 1.00 0.00 O ATOM 736 CB THR A 47 -5.891 -13.217 -0.983 1.00 0.00 C ATOM 737 OG1 THR A 47 -4.908 -14.144 -1.462 1.00 0.00 O ATOM 738 CG2 THR A 47 -6.244 -12.231 -2.087 1.00 0.00 C ATOM 0 H THR A 47 -6.692 -10.882 0.007 1.00 0.00 H new ATOM 0 HA THR A 47 -5.219 -13.197 1.068 1.00 0.00 H new ATOM 0 HB THR A 47 -6.793 -13.759 -0.698 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.255 -14.610 -2.251 1.00 0.00 H new ATOM 0 HG21 THR A 47 -6.618 -12.775 -2.955 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.012 -11.545 -1.730 1.00 0.00 H new ATOM 0 HG23 THR A 47 -5.355 -11.666 -2.368 1.00 0.00 H new ATOM 746 N LYS A 48 -2.946 -12.614 0.054 1.00 0.00 N ATOM 747 CA LYS A 48 -1.605 -12.123 -0.240 1.00 0.00 C ATOM 748 C LYS A 48 -1.600 -11.278 -1.509 1.00 0.00 C ATOM 749 O LYS A 48 -1.029 -10.188 -1.538 1.00 0.00 O ATOM 750 CB LYS A 48 -0.633 -13.296 -0.393 1.00 0.00 C ATOM 751 CG LYS A 48 0.811 -12.932 -0.091 1.00 0.00 C ATOM 752 CD LYS A 48 1.603 -14.140 0.379 1.00 0.00 C ATOM 753 CE LYS A 48 3.064 -13.789 0.620 1.00 0.00 C ATOM 754 NZ LYS A 48 3.910 -15.006 0.766 1.00 0.00 N ATOM 0 H LYS A 48 -2.981 -13.585 0.363 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.284 -11.498 0.593 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.942 -14.103 0.272 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.697 -13.680 -1.411 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.277 -12.515 -0.984 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.839 -12.157 0.675 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.165 -14.529 1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.536 -14.933 -0.366 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.434 -13.187 -0.209 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.147 -13.179 1.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.903 -14.725 0.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.594 -15.551 1.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.824 -15.593 -0.088 1.00 0.00 H new ATOM 768 N ARG A 49 -2.243 -11.785 -2.556 1.00 0.00 N ATOM 769 CA ARG A 49 -2.314 -11.077 -3.827 1.00 0.00 C ATOM 770 C ARG A 49 -2.899 -9.680 -3.639 1.00 0.00 C ATOM 771 O ARG A 49 -2.269 -8.679 -3.983 1.00 0.00 O ATOM 772 CB ARG A 49 -3.159 -11.864 -4.829 1.00 0.00 C ATOM 773 CG ARG A 49 -3.270 -11.197 -6.191 1.00 0.00 C ATOM 774 CD ARG A 49 -3.568 -12.210 -7.285 1.00 0.00 C ATOM 775 NE ARG A 49 -4.919 -12.754 -7.174 1.00 0.00 N ATOM 776 CZ ARG A 49 -5.466 -13.552 -8.084 1.00 0.00 C ATOM 777 NH1 ARG A 49 -4.781 -13.899 -9.166 1.00 0.00 N ATOM 778 NH2 ARG A 49 -6.701 -14.006 -7.912 1.00 0.00 N ATOM 0 H ARG A 49 -2.723 -12.685 -2.548 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.300 -10.979 -4.216 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.727 -12.857 -4.955 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.159 -12.001 -4.419 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.058 -10.445 -6.166 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -2.340 -10.676 -6.419 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -3.447 -11.737 -8.260 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -2.844 -13.023 -7.233 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.472 -12.508 -6.353 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.831 -13.553 -9.301 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.204 -14.512 -9.863 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.230 -13.742 -7.081 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -7.121 -14.619 -8.611 1.00 0.00 H new ATOM 792 N VAL A 50 -4.109 -9.620 -3.091 1.00 0.00 N ATOM 793 CA VAL A 50 -4.779 -8.347 -2.856 1.00 0.00 C ATOM 794 C VAL A 50 -3.865 -7.370 -2.125 1.00 0.00 C ATOM 795 O VAL A 50 -3.724 -6.215 -2.526 1.00 0.00 O ATOM 796 CB VAL A 50 -6.070 -8.535 -2.039 1.00 0.00 C ATOM 797 CG1 VAL A 50 -6.525 -7.209 -1.445 1.00 0.00 C ATOM 798 CG2 VAL A 50 -7.164 -9.144 -2.903 1.00 0.00 C ATOM 0 H VAL A 50 -4.645 -10.438 -2.802 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.033 -7.938 -3.834 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.862 -9.222 -1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.439 -7.362 -0.871 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.747 -6.817 -0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.716 -6.497 -2.248 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.069 -9.270 -2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.372 -8.484 -3.746 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.836 -10.115 -3.274 1.00 0.00 H new ATOM 808 N LEU A 51 -3.245 -7.842 -1.049 1.00 0.00 N ATOM 809 CA LEU A 51 -2.343 -7.012 -0.260 1.00 0.00 C ATOM 810 C LEU A 51 -1.177 -6.514 -1.109 1.00 0.00 C ATOM 811 O LEU A 51 -0.977 -5.310 -1.259 1.00 0.00 O ATOM 812 CB LEU A 51 -1.813 -7.798 0.942 1.00 0.00 C ATOM 813 CG LEU A 51 -2.870 -8.426 1.851 1.00 0.00 C ATOM 814 CD1 LEU A 51 -2.230 -9.426 2.801 1.00 0.00 C ATOM 815 CD2 LEU A 51 -3.613 -7.349 2.628 1.00 0.00 C ATOM 0 H LEU A 51 -3.351 -8.796 -0.703 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.904 -6.148 0.097 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.162 -8.591 0.574 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.195 -7.131 1.543 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.589 -8.957 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.997 -9.863 3.440 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.744 -10.215 2.226 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.489 -8.918 3.419 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -4.361 -7.814 3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.906 -6.790 3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -4.104 -6.671 1.930 1.00 0.00 H new ATOM 827 N GLN A 52 -0.413 -7.450 -1.663 1.00 0.00 N ATOM 828 CA GLN A 52 0.730 -7.106 -2.499 1.00 0.00 C ATOM 829 C GLN A 52 0.358 -6.033 -3.516 1.00 0.00 C ATOM 830 O GLN A 52 1.008 -4.990 -3.601 1.00 0.00 O ATOM 831 CB GLN A 52 1.254 -8.349 -3.221 1.00 0.00 C ATOM 832 CG GLN A 52 2.290 -9.125 -2.423 1.00 0.00 C ATOM 833 CD GLN A 52 3.615 -8.395 -2.323 1.00 0.00 C ATOM 834 OE1 GLN A 52 3.902 -7.741 -1.320 1.00 0.00 O ATOM 835 NE2 GLN A 52 4.431 -8.504 -3.364 1.00 0.00 N ATOM 0 H GLN A 52 -0.565 -8.452 -1.548 1.00 0.00 H new ATOM 0 HA GLN A 52 1.514 -6.712 -1.853 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.415 -9.007 -3.449 1.00 0.00 H new ATOM 0 HB3 GLN A 52 1.691 -8.049 -4.173 1.00 0.00 H new ATOM 0 HG2 GLN A 52 1.906 -9.312 -1.420 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.449 -10.097 -2.890 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.152 -9.057 -4.175 1.00 0.00 H new ATOM 0 HE22 GLN A 52 5.337 -8.035 -3.353 1.00 0.00 H new ATOM 844 N VAL A 53 -0.693 -6.293 -4.288 1.00 0.00 N ATOM 845 CA VAL A 53 -1.153 -5.349 -5.299 1.00 0.00 C ATOM 846 C VAL A 53 -1.428 -3.980 -4.688 1.00 0.00 C ATOM 847 O VAL A 53 -0.765 -2.996 -5.021 1.00 0.00 O ATOM 848 CB VAL A 53 -2.430 -5.853 -5.997 1.00 0.00 C ATOM 849 CG1 VAL A 53 -2.935 -4.821 -6.994 1.00 0.00 C ATOM 850 CG2 VAL A 53 -2.172 -7.186 -6.682 1.00 0.00 C ATOM 0 H VAL A 53 -1.242 -7.151 -4.232 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.355 -5.261 -6.036 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.202 -6.002 -5.242 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.838 -5.194 -7.478 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.161 -3.891 -6.472 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.169 -4.638 -7.747 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.085 -7.527 -7.170 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.385 -7.066 -7.427 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.860 -7.922 -5.941 1.00 0.00 H new ATOM 860 N TRP A 54 -2.406 -3.923 -3.792 1.00 0.00 N ATOM 861 CA TRP A 54 -2.768 -2.673 -3.133 1.00 0.00 C ATOM 862 C TRP A 54 -1.524 -1.865 -2.780 1.00 0.00 C ATOM 863 O TRP A 54 -1.389 -0.709 -3.181 1.00 0.00 O ATOM 864 CB TRP A 54 -3.583 -2.956 -1.870 1.00 0.00 C ATOM 865 CG TRP A 54 -4.049 -1.713 -1.174 1.00 0.00 C ATOM 866 CD1 TRP A 54 -5.252 -1.086 -1.334 1.00 0.00 C ATOM 867 CD2 TRP A 54 -3.320 -0.947 -0.209 1.00 0.00 C ATOM 868 NE1 TRP A 54 -5.314 0.024 -0.526 1.00 0.00 N ATOM 869 CE2 TRP A 54 -4.142 0.131 0.174 1.00 0.00 C ATOM 870 CE3 TRP A 54 -2.054 -1.068 0.369 1.00 0.00 C ATOM 871 CZ2 TRP A 54 -3.736 1.081 1.108 1.00 0.00 C ATOM 872 CZ3 TRP A 54 -1.652 -0.124 1.296 1.00 0.00 C ATOM 873 CH2 TRP A 54 -2.492 0.938 1.658 1.00 0.00 C ATOM 0 H TRP A 54 -2.963 -4.728 -3.505 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.375 -2.088 -3.824 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.449 -3.563 -2.133 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.979 -3.545 -1.180 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.038 -1.414 -1.998 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -6.105 0.664 -0.459 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.401 -1.884 0.097 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.380 1.901 1.388 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.675 -0.206 1.748 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -2.150 1.658 2.386 1.00 0.00 H new ATOM 884 N PHE A 55 -0.618 -2.479 -2.025 1.00 0.00 N ATOM 885 CA PHE A 55 0.614 -1.815 -1.617 1.00 0.00 C ATOM 886 C PHE A 55 1.353 -1.250 -2.827 1.00 0.00 C ATOM 887 O PHE A 55 1.616 -0.050 -2.900 1.00 0.00 O ATOM 888 CB PHE A 55 1.518 -2.791 -0.863 1.00 0.00 C ATOM 889 CG PHE A 55 1.280 -2.807 0.620 1.00 0.00 C ATOM 890 CD1 PHE A 55 0.232 -3.533 1.159 1.00 0.00 C ATOM 891 CD2 PHE A 55 2.104 -2.092 1.474 1.00 0.00 C ATOM 892 CE1 PHE A 55 0.009 -3.550 2.524 1.00 0.00 C ATOM 893 CE2 PHE A 55 1.887 -2.103 2.839 1.00 0.00 C ATOM 894 CZ PHE A 55 0.838 -2.833 3.365 1.00 0.00 C ATOM 0 H PHE A 55 -0.714 -3.435 -1.684 1.00 0.00 H new ATOM 0 HA PHE A 55 0.351 -0.989 -0.956 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.364 -3.795 -1.258 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.559 -2.530 -1.053 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.420 -4.093 0.505 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.925 -1.520 1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.811 -4.122 2.931 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.537 -1.542 3.494 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.667 -2.843 4.431 1.00 0.00 H new ATOM 904 N GLN A 56 1.686 -2.125 -3.771 1.00 0.00 N ATOM 905 CA GLN A 56 2.396 -1.712 -4.976 1.00 0.00 C ATOM 906 C GLN A 56 1.752 -0.476 -5.592 1.00 0.00 C ATOM 907 O GLN A 56 2.443 0.434 -6.050 1.00 0.00 O ATOM 908 CB GLN A 56 2.417 -2.853 -5.996 1.00 0.00 C ATOM 909 CG GLN A 56 3.520 -3.869 -5.750 1.00 0.00 C ATOM 910 CD GLN A 56 4.905 -3.296 -5.986 1.00 0.00 C ATOM 911 OE1 GLN A 56 5.080 -2.079 -6.066 1.00 0.00 O ATOM 912 NE2 GLN A 56 5.896 -4.171 -6.100 1.00 0.00 N ATOM 0 H GLN A 56 1.476 -3.122 -3.725 1.00 0.00 H new ATOM 0 HA GLN A 56 3.420 -1.463 -4.697 1.00 0.00 H new ATOM 0 HB2 GLN A 56 1.454 -3.363 -5.978 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.537 -2.434 -6.995 1.00 0.00 H new ATOM 0 HG2 GLN A 56 3.451 -4.233 -4.725 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.370 -4.728 -6.404 1.00 0.00 H new ATOM 0 HE21 GLN A 56 5.705 -5.170 -6.027 1.00 0.00 H new ATOM 0 HE22 GLN A 56 6.849 -3.844 -6.261 1.00 0.00 H new ATOM 921 N ASN A 57 0.423 -0.448 -5.601 1.00 0.00 N ATOM 922 CA ASN A 57 -0.316 0.678 -6.162 1.00 0.00 C ATOM 923 C ASN A 57 -0.008 1.963 -5.400 1.00 0.00 C ATOM 924 O ASN A 57 0.138 3.030 -5.997 1.00 0.00 O ATOM 925 CB ASN A 57 -1.819 0.397 -6.125 1.00 0.00 C ATOM 926 CG ASN A 57 -2.302 -0.330 -7.365 1.00 0.00 C ATOM 927 OD1 ASN A 57 -1.528 -0.588 -8.287 1.00 0.00 O ATOM 928 ND2 ASN A 57 -3.587 -0.663 -7.392 1.00 0.00 N ATOM 0 H ASN A 57 -0.165 -1.193 -5.226 1.00 0.00 H new ATOM 0 HA ASN A 57 -0.003 0.807 -7.198 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.053 -0.200 -5.243 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.359 1.338 -6.025 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -3.970 -1.153 -8.200 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.191 -0.428 -6.604 1.00 0.00 H new ATOM 935 N ALA A 58 0.090 1.853 -4.079 1.00 0.00 N ATOM 936 CA ALA A 58 0.384 3.006 -3.236 1.00 0.00 C ATOM 937 C ALA A 58 1.658 3.710 -3.692 1.00 0.00 C ATOM 938 O ALA A 58 1.640 4.897 -4.017 1.00 0.00 O ATOM 939 CB ALA A 58 0.506 2.578 -1.782 1.00 0.00 C ATOM 0 H ALA A 58 -0.030 0.978 -3.570 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.441 3.712 -3.328 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.726 3.448 -1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.431 2.128 -1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.312 1.850 -1.683 1.00 0.00 H new ATOM 945 N ARG A 59 2.762 2.970 -3.713 1.00 0.00 N ATOM 946 CA ARG A 59 4.045 3.524 -4.127 1.00 0.00 C ATOM 947 C ARG A 59 3.878 4.435 -5.339 1.00 0.00 C ATOM 948 O ARG A 59 4.514 5.485 -5.431 1.00 0.00 O ATOM 949 CB ARG A 59 5.029 2.399 -4.453 1.00 0.00 C ATOM 950 CG ARG A 59 5.652 1.758 -3.224 1.00 0.00 C ATOM 951 CD ARG A 59 7.009 1.150 -3.539 1.00 0.00 C ATOM 952 NE ARG A 59 6.931 0.164 -4.615 1.00 0.00 N ATOM 953 CZ ARG A 59 7.985 -0.488 -5.092 1.00 0.00 C ATOM 954 NH1 ARG A 59 9.191 -0.260 -4.592 1.00 0.00 N ATOM 955 NH2 ARG A 59 7.834 -1.370 -6.072 1.00 0.00 N ATOM 0 H ARG A 59 2.793 1.985 -3.448 1.00 0.00 H new ATOM 0 HA ARG A 59 4.440 4.115 -3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.512 1.632 -5.030 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.822 2.794 -5.087 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.761 2.506 -2.438 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.987 0.985 -2.839 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.704 1.941 -3.822 1.00 0.00 H new ATOM 0 HD3 ARG A 59 7.411 0.678 -2.643 1.00 0.00 H new ATOM 0 HE ARG A 59 6.017 -0.034 -5.022 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.311 0.418 -3.839 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.999 -0.762 -4.960 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.908 -1.548 -6.460 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.644 -1.870 -6.437 1.00 0.00 H new