USER MOD reduce.3.24.130724 H: found=0, std=0, add=663, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 665 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 MET CE :methyl -168:sc= -0.087 (180deg=-0.354) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.76 K(o=-0.76,f=-0.0023) USER MOD Single : A 32 ASN : amide:sc= -1.25 K(o=-1.3,f=-0.0075) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0391 K(o=-0.039,f=-1.4!) USER MOD Single : A 40 LYS NZ :NH3+ -155:sc= -0.0803 (180deg=-0.415) USER MOD Single : A 41 MET CE :methyl 160:sc= 0 (180deg=-0.113) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -91:sc= 1.23 USER MOD Single : A 57 CYS SG : rot 3:sc= -2.96 USER MOD Single : A 62 ASN : amide:sc= -0.219 K(o=-0.22,f=-3.7!) USER MOD Single : A 66 GLN : amide:sc= -0.856 K(o=-0.86,f=-2.1!) USER MOD Single : A 71 ASN : amide:sc= -0.0528 X(o=-0.053,f=0.066) USER MOD Single : A 78 HIS : no HD1:sc= -1.01 X(o=-1,f=-1.2) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -2.9! C(o=-2.9!,f=-3.9!) USER MOD Single : A 82 GLN : amide:sc= -0.627 K(o=-0.63,f=0) USER MOD Single : A 88 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.00477) USER MOD Single : A 99 MET CE :methyl 147:sc= -0.29 (180deg=-2.49!) USER MOD ----------------------------------------------------------------- ATOM 171 N LEU A 16 3.972 -8.765 -15.917 1.00 0.00 N ATOM 172 CA LEU A 16 3.654 -8.667 -14.497 1.00 0.00 C ATOM 173 C LEU A 16 2.162 -8.429 -14.288 1.00 0.00 C ATOM 174 O LEU A 16 1.466 -7.954 -15.186 1.00 0.00 O ATOM 175 CB LEU A 16 4.457 -7.537 -13.851 1.00 0.00 C ATOM 176 CG LEU A 16 5.912 -7.858 -13.509 1.00 0.00 C ATOM 177 CD1 LEU A 16 6.716 -6.578 -13.343 1.00 0.00 C ATOM 178 CD2 LEU A 16 5.989 -8.706 -12.248 1.00 0.00 C ATOM 0 HA LEU A 16 3.922 -9.612 -14.024 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.444 -6.679 -14.523 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.948 -7.234 -12.936 1.00 0.00 H new ATOM 0 HG LEU A 16 6.342 -8.428 -14.333 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.749 -6.826 -13.100 1.00 0.00 H new ATOM 0 HD12 LEU A 16 6.689 -6.008 -14.272 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.287 -5.981 -12.538 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.032 -8.925 -12.020 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.542 -8.162 -11.416 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.448 -9.639 -12.404 1.00 0.00 H new ATOM 190 N VAL A 17 1.676 -8.762 -13.097 1.00 0.00 N ATOM 191 CA VAL A 17 0.267 -8.581 -12.768 1.00 0.00 C ATOM 192 C VAL A 17 -0.006 -7.166 -12.273 1.00 0.00 C ATOM 193 O VAL A 17 0.787 -6.596 -11.522 1.00 0.00 O ATOM 194 CB VAL A 17 -0.193 -9.586 -11.695 1.00 0.00 C ATOM 195 CG1 VAL A 17 -1.643 -9.334 -11.313 1.00 0.00 C ATOM 196 CG2 VAL A 17 -0.002 -11.013 -12.186 1.00 0.00 C ATOM 0 H VAL A 17 2.237 -9.159 -12.343 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.296 -8.756 -13.685 1.00 0.00 H new ATOM 0 HB VAL A 17 0.421 -9.447 -10.805 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.950 -10.054 -10.554 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.745 -8.324 -10.917 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.276 -9.444 -12.194 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.332 -11.710 -11.416 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.589 -11.168 -13.091 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.052 -11.185 -12.403 1.00 0.00 H new ATOM 206 N LEU A 18 -1.131 -6.602 -12.697 1.00 0.00 N ATOM 207 CA LEU A 18 -1.510 -5.252 -12.297 1.00 0.00 C ATOM 208 C LEU A 18 -2.863 -5.252 -11.592 1.00 0.00 C ATOM 209 O LEU A 18 -3.839 -5.802 -12.102 1.00 0.00 O ATOM 210 CB LEU A 18 -1.557 -4.331 -13.517 1.00 0.00 C ATOM 211 CG LEU A 18 -2.082 -2.916 -13.270 1.00 0.00 C ATOM 212 CD1 LEU A 18 -0.975 -2.022 -12.733 1.00 0.00 C ATOM 213 CD2 LEU A 18 -2.667 -2.333 -14.548 1.00 0.00 C ATOM 0 H LEU A 18 -1.798 -7.060 -13.319 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.758 -4.882 -11.600 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.551 -4.257 -13.930 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.180 -4.801 -14.278 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.874 -2.969 -12.523 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.367 -1.019 -12.563 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.602 -2.429 -11.793 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -0.161 -1.976 -13.457 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.036 -1.326 -14.353 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.895 -2.295 -15.317 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.490 -2.960 -14.891 1.00 0.00 H new ATOM 225 N ILE A 19 -2.913 -4.630 -10.419 1.00 0.00 N ATOM 226 CA ILE A 19 -4.147 -4.556 -9.646 1.00 0.00 C ATOM 227 C ILE A 19 -4.917 -3.279 -9.963 1.00 0.00 C ATOM 228 O ILE A 19 -4.415 -2.173 -9.762 1.00 0.00 O ATOM 229 CB ILE A 19 -3.868 -4.612 -8.133 1.00 0.00 C ATOM 230 CG1 ILE A 19 -3.064 -5.867 -7.786 1.00 0.00 C ATOM 231 CG2 ILE A 19 -5.173 -4.580 -7.352 1.00 0.00 C ATOM 232 CD1 ILE A 19 -3.849 -7.150 -7.944 1.00 0.00 C ATOM 0 H ILE A 19 -2.114 -4.170 -9.983 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.749 -5.420 -9.928 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.279 -3.738 -7.855 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.180 -5.910 -8.423 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.712 -5.790 -6.757 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.959 -4.620 -6.284 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.711 -3.660 -7.580 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.786 -5.437 -7.632 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.217 -7.998 -7.681 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.718 -7.128 -7.287 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.179 -7.250 -8.978 1.00 0.00 H new ATOM 244 N ARG A 20 -6.140 -3.439 -10.457 1.00 0.00 N ATOM 245 CA ARG A 20 -6.981 -2.299 -10.801 1.00 0.00 C ATOM 246 C ARG A 20 -8.251 -2.285 -9.955 1.00 0.00 C ATOM 247 O ARG A 20 -8.926 -3.305 -9.815 1.00 0.00 O ATOM 248 CB ARG A 20 -7.345 -2.336 -12.286 1.00 0.00 C ATOM 249 CG ARG A 20 -6.329 -1.645 -13.180 1.00 0.00 C ATOM 250 CD ARG A 20 -6.623 -1.890 -14.652 1.00 0.00 C ATOM 251 NE ARG A 20 -7.645 -0.981 -15.164 1.00 0.00 N ATOM 252 CZ ARG A 20 -8.133 -1.046 -16.398 1.00 0.00 C ATOM 253 NH1 ARG A 20 -7.696 -1.971 -17.240 1.00 0.00 N ATOM 254 NH2 ARG A 20 -9.062 -0.183 -16.791 1.00 0.00 N ATOM 0 H ARG A 20 -6.571 -4.348 -10.628 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.418 -1.389 -10.595 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.446 -3.375 -12.601 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -8.318 -1.865 -12.425 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.336 -0.574 -12.980 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.329 -2.007 -12.943 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.707 -1.768 -15.230 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.952 -2.920 -14.790 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.003 -0.257 -14.541 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.983 -2.636 -16.942 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -8.073 -2.018 -18.187 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.401 0.530 -16.146 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -9.436 -0.233 -17.738 1.00 0.00 H new ATOM 268 N MET A 21 -8.570 -1.124 -9.394 1.00 0.00 N ATOM 269 CA MET A 21 -9.759 -0.978 -8.563 1.00 0.00 C ATOM 270 C MET A 21 -10.092 0.495 -8.344 1.00 0.00 C ATOM 271 O MET A 21 -9.235 1.365 -8.495 1.00 0.00 O ATOM 272 CB MET A 21 -9.554 -1.672 -7.215 1.00 0.00 C ATOM 273 CG MET A 21 -8.602 -0.932 -6.289 1.00 0.00 C ATOM 274 SD MET A 21 -6.879 -1.391 -6.555 1.00 0.00 S ATOM 275 CE MET A 21 -6.575 -2.412 -5.115 1.00 0.00 C ATOM 0 H MET A 21 -8.022 -0.270 -9.500 1.00 0.00 H new ATOM 0 HA MET A 21 -10.594 -1.448 -9.082 1.00 0.00 H new ATOM 0 HB2 MET A 21 -10.519 -1.779 -6.720 1.00 0.00 H new ATOM 0 HB3 MET A 21 -9.171 -2.678 -7.388 1.00 0.00 H new ATOM 0 HG2 MET A 21 -8.716 0.142 -6.440 1.00 0.00 H new ATOM 0 HG3 MET A 21 -8.874 -1.139 -5.254 1.00 0.00 H new ATOM 0 HE1 MET A 21 -5.505 -2.597 -5.020 1.00 0.00 H new ATOM 0 HE2 MET A 21 -6.936 -1.900 -4.223 1.00 0.00 H new ATOM 0 HE3 MET A 21 -7.099 -3.361 -5.225 1.00 0.00 H new ATOM 285 N LYS A 22 -11.343 0.767 -7.989 1.00 0.00 N ATOM 286 CA LYS A 22 -11.790 2.134 -7.748 1.00 0.00 C ATOM 287 C LYS A 22 -12.133 2.344 -6.277 1.00 0.00 C ATOM 288 O LYS A 22 -12.647 1.452 -5.601 1.00 0.00 O ATOM 289 CB LYS A 22 -13.009 2.455 -8.617 1.00 0.00 C ATOM 290 CG LYS A 22 -14.217 1.586 -8.314 1.00 0.00 C ATOM 291 CD LYS A 22 -15.517 2.323 -8.590 1.00 0.00 C ATOM 292 CE LYS A 22 -15.811 3.356 -7.513 1.00 0.00 C ATOM 293 NZ LYS A 22 -17.182 3.922 -7.648 1.00 0.00 N ATOM 0 H LYS A 22 -12.066 0.059 -7.862 1.00 0.00 H new ATOM 0 HA LYS A 22 -10.975 2.807 -8.012 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -13.280 3.501 -8.476 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -12.739 2.334 -9.666 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.176 0.680 -8.919 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -14.189 1.274 -7.270 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.459 2.815 -9.561 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -16.338 1.608 -8.644 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.702 2.897 -6.530 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.078 4.161 -7.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -17.344 4.622 -6.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -17.278 4.382 -8.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -17.883 3.158 -7.567 1.00 0.00 H new ATOM 307 N PRO A 23 -11.844 3.550 -5.766 1.00 0.00 N ATOM 308 CA PRO A 23 -12.115 3.905 -4.370 1.00 0.00 C ATOM 309 C PRO A 23 -13.607 4.033 -4.084 1.00 0.00 C ATOM 310 O PRO A 23 -14.314 4.789 -4.751 1.00 0.00 O ATOM 311 CB PRO A 23 -11.421 5.259 -4.207 1.00 0.00 C ATOM 312 CG PRO A 23 -11.379 5.832 -5.582 1.00 0.00 C ATOM 313 CD PRO A 23 -11.230 4.661 -6.514 1.00 0.00 C ATOM 0 HA PRO A 23 -11.758 3.142 -3.679 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -11.972 5.907 -3.525 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -10.418 5.143 -3.796 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -12.289 6.391 -5.800 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.545 6.526 -5.690 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -11.737 4.835 -7.463 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -10.183 4.461 -6.744 1.00 0.00 H new ATOM 321 N ASP A 24 -14.080 3.291 -3.089 1.00 0.00 N ATOM 322 CA ASP A 24 -15.489 3.323 -2.713 1.00 0.00 C ATOM 323 C ASP A 24 -15.919 4.738 -2.340 1.00 0.00 C ATOM 324 O ASP A 24 -15.116 5.670 -2.372 1.00 0.00 O ATOM 325 CB ASP A 24 -15.749 2.373 -1.544 1.00 0.00 C ATOM 326 CG ASP A 24 -15.306 2.954 -0.215 1.00 0.00 C ATOM 327 OD1 ASP A 24 -16.044 3.796 0.339 1.00 0.00 O ATOM 328 OD2 ASP A 24 -14.221 2.569 0.270 1.00 0.00 O ATOM 0 H ASP A 24 -13.508 2.660 -2.528 1.00 0.00 H new ATOM 0 HA ASP A 24 -16.076 2.998 -3.572 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -16.813 2.140 -1.499 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -15.224 1.434 -1.719 1.00 0.00 H new ATOM 333 N GLU A 25 -17.192 4.890 -1.988 1.00 0.00 N ATOM 334 CA GLU A 25 -17.729 6.193 -1.611 1.00 0.00 C ATOM 335 C GLU A 25 -16.679 7.023 -0.878 1.00 0.00 C ATOM 336 O GLU A 25 -16.284 8.092 -1.341 1.00 0.00 O ATOM 337 CB GLU A 25 -18.968 6.022 -0.729 1.00 0.00 C ATOM 338 CG GLU A 25 -20.219 5.644 -1.504 1.00 0.00 C ATOM 339 CD GLU A 25 -20.386 4.143 -1.645 1.00 0.00 C ATOM 340 OE1 GLU A 25 -19.403 3.412 -1.401 1.00 0.00 O ATOM 341 OE2 GLU A 25 -21.498 3.700 -2.000 1.00 0.00 O ATOM 0 H GLU A 25 -17.870 4.128 -1.956 1.00 0.00 H new ATOM 0 HA GLU A 25 -18.011 6.720 -2.523 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -18.768 5.255 0.019 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -19.151 6.952 -0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -21.093 6.057 -1.000 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -20.179 6.096 -2.495 1.00 0.00 H new ATOM 348 N ASN A 26 -16.233 6.522 0.269 1.00 0.00 N ATOM 349 CA ASN A 26 -15.230 7.217 1.068 1.00 0.00 C ATOM 350 C ASN A 26 -13.840 7.050 0.460 1.00 0.00 C ATOM 351 O ASN A 26 -12.968 7.900 0.637 1.00 0.00 O ATOM 352 CB ASN A 26 -15.237 6.690 2.504 1.00 0.00 C ATOM 353 CG ASN A 26 -16.444 7.167 3.289 1.00 0.00 C ATOM 354 OD1 ASN A 26 -16.309 7.876 4.286 1.00 0.00 O ATOM 355 ND2 ASN A 26 -17.632 6.779 2.840 1.00 0.00 N ATOM 0 H ASN A 26 -16.550 5.638 0.666 1.00 0.00 H new ATOM 0 HA ASN A 26 -15.479 8.278 1.076 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -15.225 5.600 2.488 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -14.327 7.012 3.011 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -18.481 7.069 3.326 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -17.696 6.191 2.009 1.00 0.00 H new ATOM 362 N GLY A 27 -13.641 5.949 -0.257 1.00 0.00 N ATOM 363 CA GLY A 27 -12.356 5.691 -0.880 1.00 0.00 C ATOM 364 C GLY A 27 -11.365 5.058 0.076 1.00 0.00 C ATOM 365 O GLY A 27 -10.191 5.428 0.099 1.00 0.00 O ATOM 0 H GLY A 27 -14.347 5.231 -0.418 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -12.497 5.035 -1.739 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.944 6.627 -1.258 1.00 0.00 H new ATOM 369 N ARG A 28 -11.838 4.101 0.868 1.00 0.00 N ATOM 370 CA ARG A 28 -10.985 3.418 1.833 1.00 0.00 C ATOM 371 C ARG A 28 -10.642 2.010 1.355 1.00 0.00 C ATOM 372 O ARG A 28 -11.304 1.039 1.724 1.00 0.00 O ATOM 373 CB ARG A 28 -11.674 3.351 3.197 1.00 0.00 C ATOM 374 CG ARG A 28 -11.691 4.679 3.937 1.00 0.00 C ATOM 375 CD ARG A 28 -12.873 4.771 4.889 1.00 0.00 C ATOM 376 NE ARG A 28 -12.707 5.843 5.866 1.00 0.00 N ATOM 377 CZ ARG A 28 -13.485 5.993 6.932 1.00 0.00 C ATOM 378 NH1 ARG A 28 -14.479 5.144 7.156 1.00 0.00 N ATOM 379 NH2 ARG A 28 -13.270 6.994 7.776 1.00 0.00 N ATOM 0 H ARG A 28 -12.807 3.781 0.860 1.00 0.00 H new ATOM 0 HA ARG A 28 -10.060 3.986 1.928 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -12.699 3.008 3.060 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -11.169 2.608 3.814 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -10.762 4.797 4.496 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.737 5.497 3.218 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -13.786 4.939 4.318 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.993 3.821 5.410 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.952 6.514 5.722 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -14.647 4.374 6.509 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -15.075 5.261 7.975 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.507 7.649 7.606 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -13.868 7.108 8.594 1.00 0.00 H new ATOM 393 N PHE A 29 -9.606 1.906 0.530 1.00 0.00 N ATOM 394 CA PHE A 29 -9.176 0.618 -0.001 1.00 0.00 C ATOM 395 C PHE A 29 -8.942 -0.384 1.126 1.00 0.00 C ATOM 396 O PHE A 29 -8.178 -0.123 2.054 1.00 0.00 O ATOM 397 CB PHE A 29 -7.898 0.782 -0.825 1.00 0.00 C ATOM 398 CG PHE A 29 -7.942 1.945 -1.775 1.00 0.00 C ATOM 399 CD1 PHE A 29 -7.599 3.218 -1.348 1.00 0.00 C ATOM 400 CD2 PHE A 29 -8.327 1.766 -3.094 1.00 0.00 C ATOM 401 CE1 PHE A 29 -7.640 4.290 -2.220 1.00 0.00 C ATOM 402 CE2 PHE A 29 -8.370 2.834 -3.970 1.00 0.00 C ATOM 403 CZ PHE A 29 -8.024 4.098 -3.532 1.00 0.00 C ATOM 0 H PHE A 29 -9.048 2.699 0.214 1.00 0.00 H new ATOM 0 HA PHE A 29 -9.968 0.237 -0.645 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.053 0.908 -0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.720 -0.133 -1.391 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.296 3.374 -0.323 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -8.597 0.780 -3.442 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -7.372 5.278 -1.875 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -8.674 2.681 -4.995 1.00 0.00 H new ATOM 0 HZ PHE A 29 -8.054 4.934 -4.215 1.00 0.00 H new ATOM 413 N GLY A 30 -9.608 -1.532 1.038 1.00 0.00 N ATOM 414 CA GLY A 30 -9.461 -2.555 2.056 1.00 0.00 C ATOM 415 C GLY A 30 -8.230 -3.414 1.841 1.00 0.00 C ATOM 416 O GLY A 30 -8.337 -4.584 1.474 1.00 0.00 O ATOM 0 H GLY A 30 -10.247 -1.771 0.279 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.404 -2.082 3.036 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.347 -3.190 2.060 1.00 0.00 H new ATOM 420 N PHE A 31 -7.057 -2.831 2.068 1.00 0.00 N ATOM 421 CA PHE A 31 -5.800 -3.550 1.894 1.00 0.00 C ATOM 422 C PHE A 31 -4.668 -2.856 2.646 1.00 0.00 C ATOM 423 O PHE A 31 -4.420 -1.666 2.454 1.00 0.00 O ATOM 424 CB PHE A 31 -5.451 -3.657 0.408 1.00 0.00 C ATOM 425 CG PHE A 31 -4.701 -2.467 -0.119 1.00 0.00 C ATOM 426 CD1 PHE A 31 -3.345 -2.323 0.123 1.00 0.00 C ATOM 427 CD2 PHE A 31 -5.354 -1.491 -0.855 1.00 0.00 C ATOM 428 CE1 PHE A 31 -2.652 -1.229 -0.361 1.00 0.00 C ATOM 429 CE2 PHE A 31 -4.667 -0.395 -1.341 1.00 0.00 C ATOM 430 CZ PHE A 31 -3.314 -0.263 -1.093 1.00 0.00 C ATOM 0 H PHE A 31 -6.951 -1.863 2.373 1.00 0.00 H new ATOM 0 HA PHE A 31 -5.923 -4.552 2.304 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -4.853 -4.554 0.247 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -6.370 -3.780 -0.165 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.823 -3.074 0.697 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -6.412 -1.588 -1.051 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -1.594 -1.130 -0.167 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.187 0.358 -1.914 1.00 0.00 H new ATOM 0 HZ PHE A 31 -2.776 0.594 -1.471 1.00 0.00 H new ATOM 440 N ASN A 32 -3.986 -3.608 3.503 1.00 0.00 N ATOM 441 CA ASN A 32 -2.881 -3.066 4.285 1.00 0.00 C ATOM 442 C ASN A 32 -1.545 -3.610 3.789 1.00 0.00 C ATOM 443 O ASN A 32 -1.469 -4.727 3.277 1.00 0.00 O ATOM 444 CB ASN A 32 -3.064 -3.404 5.766 1.00 0.00 C ATOM 445 CG ASN A 32 -2.197 -2.544 6.666 1.00 0.00 C ATOM 446 OD1 ASN A 32 -2.567 -1.423 7.016 1.00 0.00 O ATOM 447 ND2 ASN A 32 -1.036 -3.066 7.045 1.00 0.00 N ATOM 0 H ASN A 32 -4.179 -4.595 3.674 1.00 0.00 H new ATOM 0 HA ASN A 32 -2.879 -1.983 4.163 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -4.111 -3.271 6.040 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -2.822 -4.454 5.929 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.411 -2.534 7.650 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.770 -3.999 6.731 1.00 0.00 H new ATOM 454 N VAL A 33 -0.493 -2.812 3.943 1.00 0.00 N ATOM 455 CA VAL A 33 0.841 -3.213 3.513 1.00 0.00 C ATOM 456 C VAL A 33 1.822 -3.198 4.679 1.00 0.00 C ATOM 457 O VAL A 33 1.570 -2.573 5.710 1.00 0.00 O ATOM 458 CB VAL A 33 1.371 -2.292 2.398 1.00 0.00 C ATOM 459 CG1 VAL A 33 0.452 -2.335 1.187 1.00 0.00 C ATOM 460 CG2 VAL A 33 1.523 -0.868 2.911 1.00 0.00 C ATOM 0 H VAL A 33 -0.539 -1.883 4.363 1.00 0.00 H new ATOM 0 HA VAL A 33 0.757 -4.229 3.126 1.00 0.00 H new ATOM 0 HB VAL A 33 2.353 -2.651 2.091 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.843 -1.678 0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.399 -3.355 0.807 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.545 -2.003 1.475 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.898 -0.231 2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.555 -0.497 3.246 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.225 -0.855 3.745 1.00 0.00 H new ATOM 470 N LYS A 34 2.944 -3.891 4.510 1.00 0.00 N ATOM 471 CA LYS A 34 3.966 -3.957 5.548 1.00 0.00 C ATOM 472 C LYS A 34 5.357 -4.076 4.934 1.00 0.00 C ATOM 473 O LYS A 34 5.520 -4.622 3.843 1.00 0.00 O ATOM 474 CB LYS A 34 3.703 -5.145 6.476 1.00 0.00 C ATOM 475 CG LYS A 34 3.525 -6.462 5.742 1.00 0.00 C ATOM 476 CD LYS A 34 3.598 -7.645 6.694 1.00 0.00 C ATOM 477 CE LYS A 34 3.838 -8.948 5.946 1.00 0.00 C ATOM 478 NZ LYS A 34 3.732 -10.131 6.844 1.00 0.00 N ATOM 0 H LYS A 34 3.168 -4.415 3.664 1.00 0.00 H new ATOM 0 HA LYS A 34 3.921 -3.035 6.127 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.533 -5.238 7.177 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.809 -4.944 7.066 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.564 -6.466 5.228 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.296 -6.561 4.978 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.400 -7.485 7.415 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.670 -7.715 7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.114 -9.041 5.136 1.00 0.00 H new ATOM 0 HE3 LYS A 34 4.827 -8.927 5.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 3.902 -10.999 6.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.440 -10.056 7.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 2.780 -10.166 7.261 1.00 0.00 H new ATOM 492 N GLY A 35 6.358 -3.562 5.642 1.00 0.00 N ATOM 493 CA GLY A 35 7.722 -3.622 5.151 1.00 0.00 C ATOM 494 C GLY A 35 8.190 -2.301 4.575 1.00 0.00 C ATOM 495 O GLY A 35 7.668 -1.243 4.926 1.00 0.00 O ATOM 0 H GLY A 35 6.248 -3.105 6.547 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.385 -3.915 5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.796 -4.395 4.386 1.00 0.00 H new ATOM 499 N GLY A 36 9.179 -2.360 3.689 1.00 0.00 N ATOM 500 CA GLY A 36 9.702 -1.152 3.079 1.00 0.00 C ATOM 501 C GLY A 36 11.191 -0.984 3.308 1.00 0.00 C ATOM 502 O GLY A 36 11.758 -1.588 4.219 1.00 0.00 O ATOM 0 H GLY A 36 9.628 -3.223 3.383 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.503 -1.174 2.008 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.176 -0.287 3.483 1.00 0.00 H new ATOM 506 N TYR A 37 11.827 -0.164 2.479 1.00 0.00 N ATOM 507 CA TYR A 37 13.260 0.078 2.593 1.00 0.00 C ATOM 508 C TYR A 37 13.660 0.306 4.047 1.00 0.00 C ATOM 509 O TYR A 37 14.765 -0.046 4.461 1.00 0.00 O ATOM 510 CB TYR A 37 13.664 1.287 1.746 1.00 0.00 C ATOM 511 CG TYR A 37 15.155 1.537 1.720 1.00 0.00 C ATOM 512 CD1 TYR A 37 15.794 2.155 2.789 1.00 0.00 C ATOM 513 CD2 TYR A 37 15.924 1.158 0.627 1.00 0.00 C ATOM 514 CE1 TYR A 37 17.156 2.386 2.769 1.00 0.00 C ATOM 515 CE2 TYR A 37 17.286 1.384 0.600 1.00 0.00 C ATOM 516 CZ TYR A 37 17.898 1.999 1.673 1.00 0.00 C ATOM 517 OH TYR A 37 19.254 2.227 1.649 1.00 0.00 O ATOM 0 H TYR A 37 11.373 0.344 1.720 1.00 0.00 H new ATOM 0 HA TYR A 37 13.782 -0.806 2.225 1.00 0.00 H new ATOM 0 HB2 TYR A 37 13.311 1.139 0.725 1.00 0.00 H new ATOM 0 HB3 TYR A 37 13.162 2.174 2.132 1.00 0.00 H new ATOM 0 HD1 TYR A 37 15.216 2.459 3.649 1.00 0.00 H new ATOM 0 HD2 TYR A 37 15.449 0.678 -0.216 1.00 0.00 H new ATOM 0 HE1 TYR A 37 17.637 2.867 3.608 1.00 0.00 H new ATOM 0 HE2 TYR A 37 17.869 1.081 -0.257 1.00 0.00 H new ATOM 0 HH TYR A 37 19.627 1.893 0.806 1.00 0.00 H new ATOM 527 N ASP A 38 12.754 0.896 4.818 1.00 0.00 N ATOM 528 CA ASP A 38 13.009 1.170 6.227 1.00 0.00 C ATOM 529 C ASP A 38 13.352 -0.113 6.977 1.00 0.00 C ATOM 530 O ASP A 38 14.275 -0.140 7.791 1.00 0.00 O ATOM 531 CB ASP A 38 11.792 1.840 6.868 1.00 0.00 C ATOM 532 CG ASP A 38 12.025 2.192 8.324 1.00 0.00 C ATOM 533 OD1 ASP A 38 12.160 1.260 9.144 1.00 0.00 O ATOM 534 OD2 ASP A 38 12.071 3.398 8.643 1.00 0.00 O ATOM 0 H ASP A 38 11.835 1.194 4.491 1.00 0.00 H new ATOM 0 HA ASP A 38 13.862 1.846 6.291 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.545 2.745 6.313 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.932 1.175 6.791 1.00 0.00 H new ATOM 539 N GLN A 39 12.603 -1.175 6.697 1.00 0.00 N ATOM 540 CA GLN A 39 12.827 -2.461 7.346 1.00 0.00 C ATOM 541 C GLN A 39 13.582 -3.412 6.424 1.00 0.00 C ATOM 542 O GLN A 39 13.423 -4.630 6.506 1.00 0.00 O ATOM 543 CB GLN A 39 11.494 -3.085 7.762 1.00 0.00 C ATOM 544 CG GLN A 39 10.892 -2.459 9.010 1.00 0.00 C ATOM 545 CD GLN A 39 11.597 -2.894 10.279 1.00 0.00 C ATOM 546 OE1 GLN A 39 12.253 -3.935 10.313 1.00 0.00 O ATOM 547 NE2 GLN A 39 11.466 -2.096 11.332 1.00 0.00 N ATOM 0 H GLN A 39 11.836 -1.170 6.025 1.00 0.00 H new ATOM 0 HA GLN A 39 13.433 -2.290 8.236 1.00 0.00 H new ATOM 0 HB2 GLN A 39 10.785 -2.989 6.940 1.00 0.00 H new ATOM 0 HB3 GLN A 39 11.640 -4.151 7.935 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.940 -1.373 8.926 1.00 0.00 H new ATOM 0 HG3 GLN A 39 9.838 -2.728 9.074 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.913 -1.242 11.259 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.919 -2.337 12.214 1.00 0.00 H new ATOM 556 N LYS A 40 14.404 -2.848 5.545 1.00 0.00 N ATOM 557 CA LYS A 40 15.185 -3.645 4.607 1.00 0.00 C ATOM 558 C LYS A 40 14.380 -4.840 4.106 1.00 0.00 C ATOM 559 O LYS A 40 14.937 -5.897 3.812 1.00 0.00 O ATOM 560 CB LYS A 40 16.477 -4.130 5.270 1.00 0.00 C ATOM 561 CG LYS A 40 17.511 -3.034 5.458 1.00 0.00 C ATOM 562 CD LYS A 40 17.059 -2.011 6.486 1.00 0.00 C ATOM 563 CE LYS A 40 18.242 -1.377 7.201 1.00 0.00 C ATOM 564 NZ LYS A 40 18.968 -2.360 8.051 1.00 0.00 N ATOM 0 H LYS A 40 14.546 -1.841 5.463 1.00 0.00 H new ATOM 0 HA LYS A 40 15.435 -3.014 3.754 1.00 0.00 H new ATOM 0 HB2 LYS A 40 16.237 -4.562 6.241 1.00 0.00 H new ATOM 0 HB3 LYS A 40 16.910 -4.926 4.665 1.00 0.00 H new ATOM 0 HG2 LYS A 40 18.457 -3.475 5.774 1.00 0.00 H new ATOM 0 HG3 LYS A 40 17.693 -2.537 4.505 1.00 0.00 H new ATOM 0 HD2 LYS A 40 16.472 -1.235 5.995 1.00 0.00 H new ATOM 0 HD3 LYS A 40 16.407 -2.491 7.215 1.00 0.00 H new ATOM 0 HE2 LYS A 40 18.928 -0.956 6.466 1.00 0.00 H new ATOM 0 HE3 LYS A 40 17.892 -0.551 7.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 19.463 -1.859 8.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 18.289 -3.033 8.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 19.660 -2.876 7.471 1.00 0.00 H new ATOM 578 N MET A 41 13.066 -4.663 4.008 1.00 0.00 N ATOM 579 CA MET A 41 12.185 -5.726 3.539 1.00 0.00 C ATOM 580 C MET A 41 11.222 -5.205 2.477 1.00 0.00 C ATOM 581 O MET A 41 10.888 -4.021 2.435 1.00 0.00 O ATOM 582 CB MET A 41 11.399 -6.320 4.710 1.00 0.00 C ATOM 583 CG MET A 41 10.131 -5.549 5.043 1.00 0.00 C ATOM 584 SD MET A 41 9.092 -6.407 6.241 1.00 0.00 S ATOM 585 CE MET A 41 7.980 -7.293 5.152 1.00 0.00 C ATOM 0 H MET A 41 12.589 -3.794 4.247 1.00 0.00 H new ATOM 0 HA MET A 41 12.803 -6.505 3.093 1.00 0.00 H new ATOM 0 HB2 MET A 41 11.136 -7.351 4.475 1.00 0.00 H new ATOM 0 HB3 MET A 41 12.040 -6.347 5.591 1.00 0.00 H new ATOM 0 HG2 MET A 41 10.399 -4.569 5.437 1.00 0.00 H new ATOM 0 HG3 MET A 41 9.562 -5.381 4.129 1.00 0.00 H new ATOM 0 HE1 MET A 41 7.524 -8.122 5.693 1.00 0.00 H new ATOM 0 HE2 MET A 41 7.201 -6.617 4.800 1.00 0.00 H new ATOM 0 HE3 MET A 41 8.538 -7.680 4.299 1.00 0.00 H new ATOM 595 N PRO A 42 10.765 -6.109 1.597 1.00 0.00 N ATOM 596 CA PRO A 42 9.835 -5.763 0.518 1.00 0.00 C ATOM 597 C PRO A 42 8.443 -5.423 1.041 1.00 0.00 C ATOM 598 O PRO A 42 8.028 -5.909 2.093 1.00 0.00 O ATOM 599 CB PRO A 42 9.790 -7.034 -0.333 1.00 0.00 C ATOM 600 CG PRO A 42 10.149 -8.132 0.607 1.00 0.00 C ATOM 601 CD PRO A 42 11.122 -7.537 1.587 1.00 0.00 C ATOM 0 HA PRO A 42 10.158 -4.878 -0.030 1.00 0.00 H new ATOM 0 HB2 PRO A 42 8.800 -7.188 -0.762 1.00 0.00 H new ATOM 0 HB3 PRO A 42 10.493 -6.979 -1.164 1.00 0.00 H new ATOM 0 HG2 PRO A 42 9.265 -8.513 1.118 1.00 0.00 H new ATOM 0 HG3 PRO A 42 10.596 -8.971 0.074 1.00 0.00 H new ATOM 0 HD2 PRO A 42 11.020 -7.984 2.576 1.00 0.00 H new ATOM 0 HD3 PRO A 42 12.154 -7.691 1.272 1.00 0.00 H new ATOM 609 N VAL A 43 7.725 -4.586 0.298 1.00 0.00 N ATOM 610 CA VAL A 43 6.379 -4.182 0.686 1.00 0.00 C ATOM 611 C VAL A 43 5.342 -5.191 0.204 1.00 0.00 C ATOM 612 O VAL A 43 4.997 -5.225 -0.977 1.00 0.00 O ATOM 613 CB VAL A 43 6.026 -2.792 0.124 1.00 0.00 C ATOM 614 CG1 VAL A 43 4.684 -2.323 0.665 1.00 0.00 C ATOM 615 CG2 VAL A 43 7.123 -1.791 0.453 1.00 0.00 C ATOM 0 H VAL A 43 8.053 -4.175 -0.576 1.00 0.00 H new ATOM 0 HA VAL A 43 6.363 -4.140 1.775 1.00 0.00 H new ATOM 0 HB VAL A 43 5.947 -2.866 -0.961 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.451 -1.339 0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.907 -3.030 0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.731 -2.263 1.752 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.858 -0.814 0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 43 7.236 -1.717 1.535 1.00 0.00 H new ATOM 0 HG23 VAL A 43 8.063 -2.123 0.012 1.00 0.00 H new ATOM 625 N ILE A 44 4.850 -6.011 1.126 1.00 0.00 N ATOM 626 CA ILE A 44 3.851 -7.020 0.795 1.00 0.00 C ATOM 627 C ILE A 44 2.552 -6.779 1.557 1.00 0.00 C ATOM 628 O ILE A 44 2.568 -6.426 2.736 1.00 0.00 O ATOM 629 CB ILE A 44 4.360 -8.440 1.108 1.00 0.00 C ATOM 630 CG1 ILE A 44 5.500 -8.817 0.159 1.00 0.00 C ATOM 631 CG2 ILE A 44 3.223 -9.445 1.006 1.00 0.00 C ATOM 632 CD1 ILE A 44 6.865 -8.399 0.658 1.00 0.00 C ATOM 0 H ILE A 44 5.126 -5.997 2.108 1.00 0.00 H new ATOM 0 HA ILE A 44 3.662 -6.938 -0.275 1.00 0.00 H new ATOM 0 HB ILE A 44 4.742 -8.457 2.129 1.00 0.00 H new ATOM 0 HG12 ILE A 44 5.493 -9.896 0.006 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.321 -8.356 -0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 44 3.599 -10.443 1.230 1.00 0.00 H new ATOM 0 HG22 ILE A 44 2.441 -9.183 1.719 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.813 -9.430 -0.004 1.00 0.00 H new ATOM 0 HD11 ILE A 44 7.624 -8.698 -0.065 1.00 0.00 H new ATOM 0 HD12 ILE A 44 6.891 -7.317 0.784 1.00 0.00 H new ATOM 0 HD13 ILE A 44 7.066 -8.880 1.615 1.00 0.00 H new ATOM 644 N VAL A 45 1.428 -6.973 0.875 1.00 0.00 N ATOM 645 CA VAL A 45 0.119 -6.779 1.487 1.00 0.00 C ATOM 646 C VAL A 45 0.017 -7.525 2.813 1.00 0.00 C ATOM 647 O VAL A 45 0.001 -8.756 2.846 1.00 0.00 O ATOM 648 CB VAL A 45 -1.012 -7.254 0.556 1.00 0.00 C ATOM 649 CG1 VAL A 45 -2.358 -7.161 1.260 1.00 0.00 C ATOM 650 CG2 VAL A 45 -1.017 -6.443 -0.731 1.00 0.00 C ATOM 0 H VAL A 45 1.398 -7.264 -0.102 1.00 0.00 H new ATOM 0 HA VAL A 45 0.008 -5.709 1.665 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.835 -8.299 0.300 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.145 -7.501 0.587 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.347 -7.789 2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.548 -6.127 1.547 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.822 -6.792 -1.378 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.170 -5.390 -0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -0.062 -6.566 -1.242 1.00 0.00 H new ATOM 660 N SER A 46 -0.053 -6.771 3.906 1.00 0.00 N ATOM 661 CA SER A 46 -0.150 -7.361 5.236 1.00 0.00 C ATOM 662 C SER A 46 -1.421 -8.194 5.370 1.00 0.00 C ATOM 663 O SER A 46 -1.363 -9.407 5.569 1.00 0.00 O ATOM 664 CB SER A 46 -0.129 -6.266 6.305 1.00 0.00 C ATOM 665 OG SER A 46 0.240 -6.793 7.567 1.00 0.00 O ATOM 0 H SER A 46 -0.044 -5.751 3.896 1.00 0.00 H new ATOM 0 HA SER A 46 0.709 -8.016 5.379 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.572 -5.484 6.015 1.00 0.00 H new ATOM 0 HB3 SER A 46 -1.113 -5.802 6.375 1.00 0.00 H new ATOM 0 HG SER A 46 0.248 -6.074 8.232 1.00 0.00 H new ATOM 671 N ARG A 47 -2.569 -7.532 5.258 1.00 0.00 N ATOM 672 CA ARG A 47 -3.855 -8.210 5.367 1.00 0.00 C ATOM 673 C ARG A 47 -4.890 -7.563 4.452 1.00 0.00 C ATOM 674 O ARG A 47 -4.671 -6.473 3.923 1.00 0.00 O ATOM 675 CB ARG A 47 -4.349 -8.181 6.815 1.00 0.00 C ATOM 676 CG ARG A 47 -5.433 -9.206 7.109 1.00 0.00 C ATOM 677 CD ARG A 47 -5.398 -9.652 8.562 1.00 0.00 C ATOM 678 NE ARG A 47 -6.197 -8.782 9.421 1.00 0.00 N ATOM 679 CZ ARG A 47 -6.228 -8.883 10.745 1.00 0.00 C ATOM 680 NH1 ARG A 47 -5.507 -9.811 11.359 1.00 0.00 N ATOM 681 NH2 ARG A 47 -6.980 -8.055 11.458 1.00 0.00 N ATOM 0 H ARG A 47 -2.634 -6.528 5.092 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.719 -9.246 5.057 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -3.505 -8.356 7.482 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.731 -7.185 7.040 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.410 -8.779 6.882 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.304 -10.071 6.458 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.769 -10.674 8.636 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -4.366 -9.661 8.914 1.00 0.00 H new ATOM 0 HE ARG A 47 -6.762 -8.057 8.980 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -4.927 -10.449 10.814 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.532 -9.887 12.376 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -7.536 -7.339 10.990 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.003 -8.134 12.475 1.00 0.00 H new ATOM 695 N VAL A 48 -6.018 -8.242 4.269 1.00 0.00 N ATOM 696 CA VAL A 48 -7.087 -7.733 3.419 1.00 0.00 C ATOM 697 C VAL A 48 -8.456 -8.023 4.024 1.00 0.00 C ATOM 698 O VAL A 48 -8.742 -9.151 4.427 1.00 0.00 O ATOM 699 CB VAL A 48 -7.022 -8.346 2.008 1.00 0.00 C ATOM 700 CG1 VAL A 48 -8.079 -7.727 1.106 1.00 0.00 C ATOM 701 CG2 VAL A 48 -5.633 -8.168 1.414 1.00 0.00 C ATOM 0 H VAL A 48 -6.215 -9.146 4.698 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.946 -6.655 3.346 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.226 -9.414 2.086 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.017 -8.173 0.113 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.068 -7.911 1.525 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.910 -6.653 1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.605 -8.607 0.417 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.398 -7.106 1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.899 -8.664 2.050 1.00 0.00 H new ATOM 711 N ALA A 49 -9.300 -6.998 4.085 1.00 0.00 N ATOM 712 CA ALA A 49 -10.640 -7.143 4.639 1.00 0.00 C ATOM 713 C ALA A 49 -11.640 -7.542 3.559 1.00 0.00 C ATOM 714 O ALA A 49 -11.534 -7.137 2.401 1.00 0.00 O ATOM 715 CB ALA A 49 -11.076 -5.850 5.313 1.00 0.00 C ATOM 0 H ALA A 49 -9.079 -6.058 3.757 1.00 0.00 H new ATOM 0 HA ALA A 49 -10.614 -7.937 5.385 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -12.079 -5.973 5.722 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -10.383 -5.608 6.118 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -11.079 -5.042 4.582 1.00 0.00 H new ATOM 721 N PRO A 50 -12.634 -8.356 3.944 1.00 0.00 N ATOM 722 CA PRO A 50 -13.673 -8.828 3.023 1.00 0.00 C ATOM 723 C PRO A 50 -14.620 -7.711 2.596 1.00 0.00 C ATOM 724 O PRO A 50 -14.707 -6.674 3.251 1.00 0.00 O ATOM 725 CB PRO A 50 -14.422 -9.881 3.843 1.00 0.00 C ATOM 726 CG PRO A 50 -14.196 -9.488 5.262 1.00 0.00 C ATOM 727 CD PRO A 50 -12.822 -8.878 5.308 1.00 0.00 C ATOM 0 HA PRO A 50 -13.251 -9.213 2.094 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -15.484 -9.890 3.599 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -14.041 -10.883 3.644 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -14.951 -8.775 5.595 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -14.261 -10.353 5.922 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -12.759 -8.085 6.054 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -12.063 -9.617 5.564 1.00 0.00 H new ATOM 735 N GLY A 51 -15.328 -7.932 1.493 1.00 0.00 N ATOM 736 CA GLY A 51 -16.260 -6.935 0.998 1.00 0.00 C ATOM 737 C GLY A 51 -15.591 -5.604 0.720 1.00 0.00 C ATOM 738 O GLY A 51 -16.193 -4.546 0.911 1.00 0.00 O ATOM 0 H GLY A 51 -15.273 -8.783 0.933 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -16.727 -7.301 0.084 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.057 -6.792 1.728 1.00 0.00 H new ATOM 742 N THR A 52 -14.341 -5.653 0.270 1.00 0.00 N ATOM 743 CA THR A 52 -13.589 -4.442 -0.031 1.00 0.00 C ATOM 744 C THR A 52 -13.342 -4.306 -1.529 1.00 0.00 C ATOM 745 O THR A 52 -13.267 -5.293 -2.262 1.00 0.00 O ATOM 746 CB THR A 52 -12.236 -4.424 0.705 1.00 0.00 C ATOM 747 OG1 THR A 52 -11.447 -5.551 0.307 1.00 0.00 O ATOM 748 CG2 THR A 52 -12.439 -4.446 2.212 1.00 0.00 C ATOM 0 H THR A 52 -13.828 -6.519 0.106 1.00 0.00 H new ATOM 0 HA THR A 52 -14.192 -3.602 0.312 1.00 0.00 H new ATOM 0 HB THR A 52 -11.715 -3.504 0.439 1.00 0.00 H new ATOM 0 HG1 THR A 52 -11.623 -6.303 0.911 1.00 0.00 H new ATOM 0 HG21 THR A 52 -11.469 -4.433 2.710 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.014 -3.571 2.514 1.00 0.00 H new ATOM 0 HG23 THR A 52 -12.979 -5.350 2.493 1.00 0.00 H new ATOM 756 N PRO A 53 -13.212 -3.056 -1.997 1.00 0.00 N ATOM 757 CA PRO A 53 -12.970 -2.762 -3.413 1.00 0.00 C ATOM 758 C PRO A 53 -11.574 -3.181 -3.861 1.00 0.00 C ATOM 759 O PRO A 53 -11.195 -2.978 -5.015 1.00 0.00 O ATOM 760 CB PRO A 53 -13.123 -1.241 -3.491 1.00 0.00 C ATOM 761 CG PRO A 53 -12.810 -0.758 -2.116 1.00 0.00 C ATOM 762 CD PRO A 53 -13.289 -1.833 -1.181 1.00 0.00 C ATOM 0 HA PRO A 53 -13.653 -3.306 -4.065 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -12.442 -0.812 -4.226 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -14.133 -0.959 -3.789 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.740 -0.585 -1.997 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.310 0.189 -1.911 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.660 -1.902 -0.293 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.306 -1.643 -0.838 1.00 0.00 H new ATOM 770 N ALA A 54 -10.813 -3.766 -2.943 1.00 0.00 N ATOM 771 CA ALA A 54 -9.459 -4.215 -3.245 1.00 0.00 C ATOM 772 C ALA A 54 -9.407 -5.731 -3.404 1.00 0.00 C ATOM 773 O ALA A 54 -8.475 -6.270 -4.002 1.00 0.00 O ATOM 774 CB ALA A 54 -8.497 -3.763 -2.156 1.00 0.00 C ATOM 0 H ALA A 54 -11.111 -3.940 -1.983 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.156 -3.766 -4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.490 -4.105 -2.395 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -8.505 -2.675 -2.092 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.806 -4.185 -1.200 1.00 0.00 H new ATOM 780 N ASP A 55 -10.412 -6.413 -2.866 1.00 0.00 N ATOM 781 CA ASP A 55 -10.480 -7.867 -2.948 1.00 0.00 C ATOM 782 C ASP A 55 -11.415 -8.304 -4.072 1.00 0.00 C ATOM 783 O ASP A 55 -11.090 -9.202 -4.850 1.00 0.00 O ATOM 784 CB ASP A 55 -10.953 -8.453 -1.617 1.00 0.00 C ATOM 785 CG ASP A 55 -10.435 -9.860 -1.387 1.00 0.00 C ATOM 786 OD1 ASP A 55 -9.212 -10.070 -1.520 1.00 0.00 O ATOM 787 OD2 ASP A 55 -11.254 -10.750 -1.076 1.00 0.00 O ATOM 0 H ASP A 55 -11.191 -5.982 -2.368 1.00 0.00 H new ATOM 0 HA ASP A 55 -9.480 -8.242 -3.165 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -10.622 -7.809 -0.802 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -12.043 -8.462 -1.594 1.00 0.00 H new ATOM 792 N LEU A 56 -12.577 -7.665 -4.150 1.00 0.00 N ATOM 793 CA LEU A 56 -13.560 -7.989 -5.178 1.00 0.00 C ATOM 794 C LEU A 56 -12.975 -7.790 -6.572 1.00 0.00 C ATOM 795 O LEU A 56 -13.352 -8.482 -7.519 1.00 0.00 O ATOM 796 CB LEU A 56 -14.809 -7.121 -5.007 1.00 0.00 C ATOM 797 CG LEU A 56 -15.411 -7.081 -3.603 1.00 0.00 C ATOM 798 CD1 LEU A 56 -16.107 -5.751 -3.358 1.00 0.00 C ATOM 799 CD2 LEU A 56 -16.381 -8.237 -3.405 1.00 0.00 C ATOM 0 H LEU A 56 -12.862 -6.920 -3.514 1.00 0.00 H new ATOM 0 HA LEU A 56 -13.835 -9.038 -5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -14.562 -6.102 -5.304 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -15.573 -7.478 -5.698 1.00 0.00 H new ATOM 0 HG LEU A 56 -14.602 -7.183 -2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -16.529 -5.741 -2.353 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -15.386 -4.939 -3.457 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -16.905 -5.618 -4.088 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -16.800 -8.192 -2.400 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -17.186 -8.166 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -15.853 -9.182 -3.536 1.00 0.00 H new ATOM 811 N CYS A 57 -12.052 -6.842 -6.691 1.00 0.00 N ATOM 812 CA CYS A 57 -11.413 -6.553 -7.971 1.00 0.00 C ATOM 813 C CYS A 57 -10.463 -7.678 -8.370 1.00 0.00 C ATOM 814 O CYS A 57 -9.702 -8.184 -7.546 1.00 0.00 O ATOM 815 CB CYS A 57 -10.653 -5.229 -7.897 1.00 0.00 C ATOM 816 SG CYS A 57 -9.445 -5.144 -6.554 1.00 0.00 S ATOM 0 H CYS A 57 -11.729 -6.261 -5.918 1.00 0.00 H new ATOM 0 HA CYS A 57 -12.192 -6.474 -8.729 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -10.139 -5.064 -8.844 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -11.370 -4.417 -7.778 1.00 0.00 H new ATOM 0 HG CYS A 57 -9.407 -6.285 -5.932 1.00 0.00 H new ATOM 822 N VAL A 58 -10.515 -8.065 -9.641 1.00 0.00 N ATOM 823 CA VAL A 58 -9.659 -9.130 -10.150 1.00 0.00 C ATOM 824 C VAL A 58 -8.421 -8.561 -10.834 1.00 0.00 C ATOM 825 O VAL A 58 -8.488 -7.587 -11.584 1.00 0.00 O ATOM 826 CB VAL A 58 -10.415 -10.029 -11.147 1.00 0.00 C ATOM 827 CG1 VAL A 58 -11.047 -9.192 -12.248 1.00 0.00 C ATOM 828 CG2 VAL A 58 -9.482 -11.078 -11.732 1.00 0.00 C ATOM 0 H VAL A 58 -11.140 -7.657 -10.336 1.00 0.00 H new ATOM 0 HA VAL A 58 -9.353 -9.728 -9.291 1.00 0.00 H new ATOM 0 HB VAL A 58 -11.213 -10.544 -10.612 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -11.576 -9.844 -12.942 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -11.749 -8.483 -11.809 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -10.269 -8.647 -12.783 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.033 -11.704 -12.434 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.661 -10.585 -12.252 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.083 -11.698 -10.929 1.00 0.00 H new ATOM 838 N PRO A 59 -7.262 -9.183 -10.572 1.00 0.00 N ATOM 839 CA PRO A 59 -7.170 -10.343 -9.681 1.00 0.00 C ATOM 840 C PRO A 59 -7.416 -9.975 -8.222 1.00 0.00 C ATOM 841 O PRO A 59 -6.934 -8.949 -7.741 1.00 0.00 O ATOM 842 CB PRO A 59 -5.731 -10.827 -9.875 1.00 0.00 C ATOM 843 CG PRO A 59 -4.981 -9.617 -10.317 1.00 0.00 C ATOM 844 CD PRO A 59 -5.952 -8.800 -11.124 1.00 0.00 C ATOM 0 HA PRO A 59 -7.923 -11.096 -9.915 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.321 -11.231 -8.949 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -5.677 -11.620 -10.620 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -4.613 -9.052 -9.461 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -4.112 -9.893 -10.915 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -5.767 -7.732 -11.014 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -5.882 -9.028 -12.188 1.00 0.00 H new ATOM 852 N ARG A 60 -8.168 -10.818 -7.522 1.00 0.00 N ATOM 853 CA ARG A 60 -8.477 -10.580 -6.117 1.00 0.00 C ATOM 854 C ARG A 60 -7.200 -10.403 -5.301 1.00 0.00 C ATOM 855 O ARG A 60 -6.397 -11.328 -5.176 1.00 0.00 O ATOM 856 CB ARG A 60 -9.300 -11.739 -5.551 1.00 0.00 C ATOM 857 CG ARG A 60 -9.489 -11.672 -4.044 1.00 0.00 C ATOM 858 CD ARG A 60 -9.828 -13.036 -3.464 1.00 0.00 C ATOM 859 NE ARG A 60 -9.440 -13.147 -2.061 1.00 0.00 N ATOM 860 CZ ARG A 60 -9.397 -14.297 -1.399 1.00 0.00 C ATOM 861 NH1 ARG A 60 -9.717 -15.430 -2.009 1.00 0.00 N ATOM 862 NH2 ARG A 60 -9.033 -14.316 -0.123 1.00 0.00 N ATOM 0 H ARG A 60 -8.574 -11.672 -7.905 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.060 -9.662 -6.050 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -10.278 -11.748 -6.031 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.811 -12.679 -5.806 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -8.579 -11.293 -3.579 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.285 -10.967 -3.807 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -10.899 -13.214 -3.559 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -9.324 -13.811 -4.042 1.00 0.00 H new ATOM 0 HE ARG A 60 -9.188 -12.294 -1.562 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.997 -15.420 -2.990 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.683 -16.312 -1.498 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.786 -13.447 0.350 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.000 -15.200 0.385 1.00 0.00 H new ATOM 876 N LEU A 61 -7.018 -9.208 -4.749 1.00 0.00 N ATOM 877 CA LEU A 61 -5.839 -8.909 -3.945 1.00 0.00 C ATOM 878 C LEU A 61 -5.813 -9.758 -2.678 1.00 0.00 C ATOM 879 O LEU A 61 -6.495 -9.454 -1.701 1.00 0.00 O ATOM 880 CB LEU A 61 -5.811 -7.424 -3.577 1.00 0.00 C ATOM 881 CG LEU A 61 -4.441 -6.846 -3.221 1.00 0.00 C ATOM 882 CD1 LEU A 61 -3.581 -6.703 -4.467 1.00 0.00 C ATOM 883 CD2 LEU A 61 -4.594 -5.505 -2.519 1.00 0.00 C ATOM 0 H LEU A 61 -7.672 -8.431 -4.844 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.956 -9.147 -4.538 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.217 -6.855 -4.414 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.480 -7.267 -2.731 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.943 -7.536 -2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.610 -6.290 -4.193 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.443 -7.681 -4.928 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.073 -6.035 -5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.609 -5.109 -2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.112 -4.807 -3.177 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.171 -5.637 -1.604 1.00 0.00 H new ATOM 895 N ASN A 62 -5.018 -10.823 -2.702 1.00 0.00 N ATOM 896 CA ASN A 62 -4.902 -11.716 -1.555 1.00 0.00 C ATOM 897 C ASN A 62 -3.522 -11.603 -0.915 1.00 0.00 C ATOM 898 O ASN A 62 -2.532 -11.336 -1.596 1.00 0.00 O ATOM 899 CB ASN A 62 -5.162 -13.163 -1.980 1.00 0.00 C ATOM 900 CG ASN A 62 -4.245 -13.610 -3.102 1.00 0.00 C ATOM 901 OD1 ASN A 62 -3.382 -12.856 -3.550 1.00 0.00 O ATOM 902 ND2 ASN A 62 -4.430 -14.842 -3.561 1.00 0.00 N ATOM 0 H ASN A 62 -4.445 -11.088 -3.503 1.00 0.00 H new ATOM 0 HA ASN A 62 -5.650 -11.420 -0.819 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.028 -13.821 -1.121 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.199 -13.264 -2.300 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -3.844 -15.198 -4.316 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.158 -15.432 -3.159 1.00 0.00 H new ATOM 909 N GLU A 63 -3.465 -11.808 0.397 1.00 0.00 N ATOM 910 CA GLU A 63 -2.206 -11.728 1.128 1.00 0.00 C ATOM 911 C GLU A 63 -1.070 -12.359 0.327 1.00 0.00 C ATOM 912 O GLU A 63 -1.261 -13.367 -0.351 1.00 0.00 O ATOM 913 CB GLU A 63 -2.334 -12.422 2.486 1.00 0.00 C ATOM 914 CG GLU A 63 -3.361 -11.780 3.403 1.00 0.00 C ATOM 915 CD GLU A 63 -3.819 -12.711 4.508 1.00 0.00 C ATOM 916 OE1 GLU A 63 -2.974 -13.463 5.039 1.00 0.00 O ATOM 917 OE2 GLU A 63 -5.022 -12.690 4.842 1.00 0.00 O ATOM 0 H GLU A 63 -4.275 -12.031 0.975 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.974 -10.675 1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.604 -13.466 2.327 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.363 -12.415 2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.935 -10.879 3.845 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.224 -11.469 2.814 1.00 0.00 H new ATOM 924 N GLY A 64 0.112 -11.756 0.412 1.00 0.00 N ATOM 925 CA GLY A 64 1.260 -12.272 -0.310 1.00 0.00 C ATOM 926 C GLY A 64 1.644 -11.399 -1.489 1.00 0.00 C ATOM 927 O GLY A 64 2.825 -11.134 -1.715 1.00 0.00 O ATOM 0 H GLY A 64 0.295 -10.920 0.967 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.108 -12.351 0.371 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.040 -13.279 -0.664 1.00 0.00 H new ATOM 931 N ASP A 65 0.645 -10.953 -2.242 1.00 0.00 N ATOM 932 CA ASP A 65 0.884 -10.106 -3.405 1.00 0.00 C ATOM 933 C ASP A 65 1.847 -8.973 -3.063 1.00 0.00 C ATOM 934 O ASP A 65 1.452 -7.970 -2.469 1.00 0.00 O ATOM 935 CB ASP A 65 -0.435 -9.532 -3.924 1.00 0.00 C ATOM 936 CG ASP A 65 -1.457 -9.339 -2.820 1.00 0.00 C ATOM 937 OD1 ASP A 65 -1.053 -9.295 -1.639 1.00 0.00 O ATOM 938 OD2 ASP A 65 -2.660 -9.233 -3.138 1.00 0.00 O ATOM 0 H ASP A 65 -0.338 -11.164 -2.068 1.00 0.00 H new ATOM 0 HA ASP A 65 1.336 -10.720 -4.184 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.245 -8.575 -4.411 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.845 -10.199 -4.682 1.00 0.00 H new ATOM 943 N GLN A 66 3.109 -9.142 -3.442 1.00 0.00 N ATOM 944 CA GLN A 66 4.128 -8.134 -3.174 1.00 0.00 C ATOM 945 C GLN A 66 3.991 -6.953 -4.130 1.00 0.00 C ATOM 946 O GLN A 66 3.709 -7.130 -5.315 1.00 0.00 O ATOM 947 CB GLN A 66 5.525 -8.745 -3.296 1.00 0.00 C ATOM 948 CG GLN A 66 6.648 -7.733 -3.134 1.00 0.00 C ATOM 949 CD GLN A 66 7.927 -8.166 -3.822 1.00 0.00 C ATOM 950 OE1 GLN A 66 7.910 -9.020 -4.710 1.00 0.00 O ATOM 951 NE2 GLN A 66 9.047 -7.579 -3.415 1.00 0.00 N ATOM 0 H GLN A 66 3.451 -9.967 -3.935 1.00 0.00 H new ATOM 0 HA GLN A 66 3.985 -7.772 -2.156 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.638 -9.525 -2.543 1.00 0.00 H new ATOM 0 HB3 GLN A 66 5.618 -9.226 -4.270 1.00 0.00 H new ATOM 0 HG2 GLN A 66 6.328 -6.773 -3.540 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.844 -7.581 -2.073 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.015 -6.876 -2.676 1.00 0.00 H new ATOM 0 HE22 GLN A 66 9.939 -7.831 -3.841 1.00 0.00 H new ATOM 960 N VAL A 67 4.192 -5.748 -3.607 1.00 0.00 N ATOM 961 CA VAL A 67 4.092 -4.538 -4.414 1.00 0.00 C ATOM 962 C VAL A 67 5.451 -4.140 -4.978 1.00 0.00 C ATOM 963 O VAL A 67 6.454 -4.135 -4.265 1.00 0.00 O ATOM 964 CB VAL A 67 3.524 -3.363 -3.596 1.00 0.00 C ATOM 965 CG1 VAL A 67 3.392 -2.121 -4.464 1.00 0.00 C ATOM 966 CG2 VAL A 67 2.183 -3.740 -2.983 1.00 0.00 C ATOM 0 H VAL A 67 4.425 -5.584 -2.628 1.00 0.00 H new ATOM 0 HA VAL A 67 3.412 -4.761 -5.236 1.00 0.00 H new ATOM 0 HB VAL A 67 4.218 -3.138 -2.786 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.989 -1.302 -3.868 1.00 0.00 H new ATOM 0 HG12 VAL A 67 4.372 -1.841 -4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.720 -2.329 -5.297 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.796 -2.898 -2.409 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.479 -3.993 -3.776 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.312 -4.599 -2.325 1.00 0.00 H new ATOM 976 N VAL A 68 5.476 -3.805 -6.264 1.00 0.00 N ATOM 977 CA VAL A 68 6.712 -3.403 -6.926 1.00 0.00 C ATOM 978 C VAL A 68 6.689 -1.920 -7.279 1.00 0.00 C ATOM 979 O VAL A 68 7.697 -1.224 -7.147 1.00 0.00 O ATOM 980 CB VAL A 68 6.954 -4.222 -8.208 1.00 0.00 C ATOM 981 CG1 VAL A 68 8.289 -3.850 -8.835 1.00 0.00 C ATOM 982 CG2 VAL A 68 6.894 -5.712 -7.908 1.00 0.00 C ATOM 0 H VAL A 68 4.654 -3.804 -6.868 1.00 0.00 H new ATOM 0 HA VAL A 68 7.524 -3.593 -6.224 1.00 0.00 H new ATOM 0 HB VAL A 68 6.165 -3.987 -8.923 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.443 -4.439 -9.739 1.00 0.00 H new ATOM 0 HG12 VAL A 68 8.289 -2.790 -9.088 1.00 0.00 H new ATOM 0 HG13 VAL A 68 9.093 -4.055 -8.128 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.067 -6.275 -8.825 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.660 -5.967 -7.176 1.00 0.00 H new ATOM 0 HG23 VAL A 68 5.912 -5.963 -7.508 1.00 0.00 H new ATOM 992 N LEU A 69 5.534 -1.443 -7.728 1.00 0.00 N ATOM 993 CA LEU A 69 5.379 -0.041 -8.100 1.00 0.00 C ATOM 994 C LEU A 69 3.932 0.411 -7.928 1.00 0.00 C ATOM 995 O LEU A 69 3.001 -0.375 -8.102 1.00 0.00 O ATOM 996 CB LEU A 69 5.824 0.175 -9.548 1.00 0.00 C ATOM 997 CG LEU A 69 7.319 0.009 -9.822 1.00 0.00 C ATOM 998 CD1 LEU A 69 7.600 0.094 -11.314 1.00 0.00 C ATOM 999 CD2 LEU A 69 8.120 1.057 -9.065 1.00 0.00 C ATOM 0 H LEU A 69 4.691 -2.006 -7.843 1.00 0.00 H new ATOM 0 HA LEU A 69 6.008 0.556 -7.440 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.279 -0.524 -10.183 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.528 1.179 -9.852 1.00 0.00 H new ATOM 0 HG LEU A 69 7.626 -0.976 -9.471 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.669 -0.026 -11.490 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.056 -0.695 -11.832 1.00 0.00 H new ATOM 0 HD13 LEU A 69 7.277 1.065 -11.690 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.182 0.923 -9.272 1.00 0.00 H new ATOM 0 HD22 LEU A 69 7.811 2.052 -9.384 1.00 0.00 H new ATOM 0 HD23 LEU A 69 7.943 0.948 -7.995 1.00 0.00 H new ATOM 1011 N ILE A 70 3.752 1.683 -7.587 1.00 0.00 N ATOM 1012 CA ILE A 70 2.419 2.240 -7.395 1.00 0.00 C ATOM 1013 C ILE A 70 2.105 3.292 -8.453 1.00 0.00 C ATOM 1014 O ILE A 70 2.767 4.326 -8.531 1.00 0.00 O ATOM 1015 CB ILE A 70 2.269 2.873 -5.999 1.00 0.00 C ATOM 1016 CG1 ILE A 70 2.566 1.838 -4.911 1.00 0.00 C ATOM 1017 CG2 ILE A 70 0.870 3.445 -5.824 1.00 0.00 C ATOM 1018 CD1 ILE A 70 2.732 2.440 -3.534 1.00 0.00 C ATOM 0 H ILE A 70 4.512 2.347 -7.438 1.00 0.00 H new ATOM 0 HA ILE A 70 1.715 1.413 -7.488 1.00 0.00 H new ATOM 0 HB ILE A 70 2.988 3.687 -5.907 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.757 1.108 -4.884 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.475 1.297 -5.174 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.780 3.889 -4.833 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.692 4.209 -6.581 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.135 2.648 -5.933 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.940 1.649 -2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.560 3.149 -3.544 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.815 2.957 -3.250 1.00 0.00 H new ATOM 1030 N ASN A 71 1.089 3.020 -9.266 1.00 0.00 N ATOM 1031 CA ASN A 71 0.686 3.944 -10.320 1.00 0.00 C ATOM 1032 C ASN A 71 1.876 4.325 -11.195 1.00 0.00 C ATOM 1033 O ASN A 71 1.966 5.451 -11.684 1.00 0.00 O ATOM 1034 CB ASN A 71 0.061 5.202 -9.713 1.00 0.00 C ATOM 1035 CG ASN A 71 -1.437 5.067 -9.519 1.00 0.00 C ATOM 1036 OD1 ASN A 71 -2.221 5.381 -10.416 1.00 0.00 O ATOM 1037 ND2 ASN A 71 -1.842 4.599 -8.345 1.00 0.00 N ATOM 0 H ASN A 71 0.530 2.168 -9.215 1.00 0.00 H new ATOM 0 HA ASN A 71 -0.054 3.443 -10.944 1.00 0.00 H new ATOM 0 HB2 ASN A 71 0.532 5.411 -8.752 1.00 0.00 H new ATOM 0 HB3 ASN A 71 0.265 6.055 -10.360 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -2.838 4.487 -8.157 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -1.157 4.351 -7.631 1.00 0.00 H new ATOM 1044 N GLY A 72 2.790 3.378 -11.387 1.00 0.00 N ATOM 1045 CA GLY A 72 3.963 3.634 -12.203 1.00 0.00 C ATOM 1046 C GLY A 72 4.942 4.576 -11.531 1.00 0.00 C ATOM 1047 O GLY A 72 5.487 5.475 -12.171 1.00 0.00 O ATOM 0 H GLY A 72 2.739 2.439 -10.992 1.00 0.00 H new ATOM 0 HA2 GLY A 72 4.463 2.690 -12.421 1.00 0.00 H new ATOM 0 HA3 GLY A 72 3.652 4.058 -13.158 1.00 0.00 H new ATOM 1051 N ARG A 73 5.164 4.371 -10.237 1.00 0.00 N ATOM 1052 CA ARG A 73 6.082 5.212 -9.477 1.00 0.00 C ATOM 1053 C ARG A 73 6.958 4.366 -8.557 1.00 0.00 C ATOM 1054 O ARG A 73 6.486 3.412 -7.938 1.00 0.00 O ATOM 1055 CB ARG A 73 5.304 6.240 -8.655 1.00 0.00 C ATOM 1056 CG ARG A 73 6.098 7.499 -8.344 1.00 0.00 C ATOM 1057 CD ARG A 73 5.209 8.590 -7.768 1.00 0.00 C ATOM 1058 NE ARG A 73 5.750 9.924 -8.014 1.00 0.00 N ATOM 1059 CZ ARG A 73 6.805 10.418 -7.376 1.00 0.00 C ATOM 1060 NH1 ARG A 73 7.429 9.693 -6.458 1.00 0.00 N ATOM 1061 NH2 ARG A 73 7.238 11.641 -7.656 1.00 0.00 N ATOM 0 H ARG A 73 4.721 3.630 -9.693 1.00 0.00 H new ATOM 0 HA ARG A 73 6.726 5.735 -10.184 1.00 0.00 H new ATOM 0 HB2 ARG A 73 4.399 6.516 -9.196 1.00 0.00 H new ATOM 0 HB3 ARG A 73 4.988 5.780 -7.719 1.00 0.00 H new ATOM 0 HG2 ARG A 73 6.892 7.264 -7.636 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.578 7.861 -9.253 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.214 8.516 -8.207 1.00 0.00 H new ATOM 0 HD3 ARG A 73 5.096 8.437 -6.695 1.00 0.00 H new ATOM 0 HE ARG A 73 5.293 10.508 -8.714 1.00 0.00 H new ATOM 0 HH11 ARG A 73 7.099 8.753 -6.240 1.00 0.00 H new ATOM 0 HH12 ARG A 73 8.239 10.075 -5.970 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.760 12.202 -8.361 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.048 12.020 -7.166 1.00 0.00 H new ATOM 1075 N ASP A 74 8.235 4.723 -8.472 1.00 0.00 N ATOM 1076 CA ASP A 74 9.177 3.998 -7.627 1.00 0.00 C ATOM 1077 C ASP A 74 8.942 4.318 -6.154 1.00 0.00 C ATOM 1078 O ASP A 74 9.344 5.375 -5.667 1.00 0.00 O ATOM 1079 CB ASP A 74 10.615 4.345 -8.015 1.00 0.00 C ATOM 1080 CG ASP A 74 11.615 3.331 -7.497 1.00 0.00 C ATOM 1081 OD1 ASP A 74 11.757 3.215 -6.262 1.00 0.00 O ATOM 1082 OD2 ASP A 74 12.257 2.653 -8.327 1.00 0.00 O ATOM 0 H ASP A 74 8.642 5.510 -8.978 1.00 0.00 H new ATOM 0 HA ASP A 74 9.017 2.931 -7.778 1.00 0.00 H new ATOM 0 HB2 ASP A 74 10.691 4.404 -9.101 1.00 0.00 H new ATOM 0 HB3 ASP A 74 10.866 5.331 -7.624 1.00 0.00 H new ATOM 1087 N ILE A 75 8.290 3.398 -5.450 1.00 0.00 N ATOM 1088 CA ILE A 75 8.003 3.583 -4.033 1.00 0.00 C ATOM 1089 C ILE A 75 8.911 2.713 -3.171 1.00 0.00 C ATOM 1090 O ILE A 75 8.649 2.509 -1.986 1.00 0.00 O ATOM 1091 CB ILE A 75 6.534 3.252 -3.709 1.00 0.00 C ATOM 1092 CG1 ILE A 75 6.278 1.752 -3.875 1.00 0.00 C ATOM 1093 CG2 ILE A 75 5.600 4.056 -4.601 1.00 0.00 C ATOM 1094 CD1 ILE A 75 6.549 0.950 -2.622 1.00 0.00 C ATOM 0 H ILE A 75 7.951 2.518 -5.838 1.00 0.00 H new ATOM 0 HA ILE A 75 8.189 4.633 -3.807 1.00 0.00 H new ATOM 0 HB ILE A 75 6.336 3.523 -2.672 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.242 1.600 -4.177 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.904 1.372 -4.682 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.566 3.811 -4.360 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.768 5.121 -4.438 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.796 3.814 -5.645 1.00 0.00 H new ATOM 0 HD11 ILE A 75 6.346 -0.104 -2.814 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.592 1.072 -2.331 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.904 1.303 -1.817 1.00 0.00 H new ATOM 1106 N ALA A 76 9.981 2.204 -3.773 1.00 0.00 N ATOM 1107 CA ALA A 76 10.930 1.359 -3.059 1.00 0.00 C ATOM 1108 C ALA A 76 11.878 2.197 -2.207 1.00 0.00 C ATOM 1109 O ALA A 76 12.199 1.830 -1.078 1.00 0.00 O ATOM 1110 CB ALA A 76 11.717 0.503 -4.041 1.00 0.00 C ATOM 0 H ALA A 76 10.212 2.362 -4.754 1.00 0.00 H new ATOM 0 HA ALA A 76 10.367 0.705 -2.393 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.422 -0.123 -3.494 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.030 -0.130 -4.604 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.263 1.148 -4.730 1.00 0.00 H new ATOM 1116 N GLU A 77 12.322 3.323 -2.757 1.00 0.00 N ATOM 1117 CA GLU A 77 13.234 4.211 -2.047 1.00 0.00 C ATOM 1118 C GLU A 77 12.547 4.845 -0.841 1.00 0.00 C ATOM 1119 O GLU A 77 13.187 5.136 0.171 1.00 0.00 O ATOM 1120 CB GLU A 77 13.752 5.304 -2.985 1.00 0.00 C ATOM 1121 CG GLU A 77 14.593 6.358 -2.286 1.00 0.00 C ATOM 1122 CD GLU A 77 15.053 7.455 -3.226 1.00 0.00 C ATOM 1123 OE1 GLU A 77 16.031 7.227 -3.969 1.00 0.00 O ATOM 1124 OE2 GLU A 77 14.436 8.540 -3.220 1.00 0.00 O ATOM 0 H GLU A 77 12.065 3.641 -3.691 1.00 0.00 H new ATOM 0 HA GLU A 77 14.076 3.617 -1.693 1.00 0.00 H new ATOM 0 HB2 GLU A 77 14.346 4.842 -3.774 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.903 5.789 -3.467 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.015 6.799 -1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 77 15.464 5.882 -1.835 1.00 0.00 H new ATOM 1131 N HIS A 78 11.240 5.058 -0.956 1.00 0.00 N ATOM 1132 CA HIS A 78 10.465 5.658 0.125 1.00 0.00 C ATOM 1133 C HIS A 78 10.304 4.680 1.285 1.00 0.00 C ATOM 1134 O HIS A 78 10.532 3.479 1.136 1.00 0.00 O ATOM 1135 CB HIS A 78 9.091 6.092 -0.385 1.00 0.00 C ATOM 1136 CG HIS A 78 9.150 7.181 -1.412 1.00 0.00 C ATOM 1137 ND1 HIS A 78 9.255 6.935 -2.765 1.00 0.00 N ATOM 1138 CD2 HIS A 78 9.116 8.528 -1.277 1.00 0.00 C ATOM 1139 CE1 HIS A 78 9.285 8.083 -3.418 1.00 0.00 C ATOM 1140 NE2 HIS A 78 9.202 9.065 -2.538 1.00 0.00 N ATOM 0 H HIS A 78 10.695 4.824 -1.786 1.00 0.00 H new ATOM 0 HA HIS A 78 11.005 6.534 0.483 1.00 0.00 H new ATOM 0 HB2 HIS A 78 8.582 5.228 -0.812 1.00 0.00 H new ATOM 0 HB3 HIS A 78 8.490 6.432 0.459 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.036 9.077 -0.351 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.364 8.199 -4.489 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.202 10.061 -2.759 1.00 0.00 H new ATOM 1149 N THR A 79 9.910 5.203 2.443 1.00 0.00 N ATOM 1150 CA THR A 79 9.721 4.377 3.629 1.00 0.00 C ATOM 1151 C THR A 79 8.242 4.115 3.886 1.00 0.00 C ATOM 1152 O THR A 79 7.378 4.847 3.401 1.00 0.00 O ATOM 1153 CB THR A 79 10.338 5.037 4.877 1.00 0.00 C ATOM 1154 OG1 THR A 79 9.733 6.314 5.106 1.00 0.00 O ATOM 1155 CG2 THR A 79 11.841 5.205 4.712 1.00 0.00 C ATOM 0 H THR A 79 9.716 6.194 2.584 1.00 0.00 H new ATOM 0 HA THR A 79 10.227 3.431 3.439 1.00 0.00 H new ATOM 0 HB THR A 79 10.152 4.389 5.733 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.130 6.726 5.902 1.00 0.00 H new ATOM 0 HG21 THR A 79 12.255 5.673 5.605 1.00 0.00 H new ATOM 0 HG22 THR A 79 12.303 4.228 4.567 1.00 0.00 H new ATOM 0 HG23 THR A 79 12.044 5.834 3.845 1.00 0.00 H new ATOM 1163 N HIS A 80 7.955 3.068 4.653 1.00 0.00 N ATOM 1164 CA HIS A 80 6.579 2.710 4.975 1.00 0.00 C ATOM 1165 C HIS A 80 5.768 3.949 5.344 1.00 0.00 C ATOM 1166 O HIS A 80 4.761 4.256 4.706 1.00 0.00 O ATOM 1167 CB HIS A 80 6.547 1.704 6.127 1.00 0.00 C ATOM 1168 CG HIS A 80 5.163 1.321 6.550 1.00 0.00 C ATOM 1169 ND1 HIS A 80 4.418 0.357 5.904 1.00 0.00 N ATOM 1170 CD2 HIS A 80 4.388 1.778 7.562 1.00 0.00 C ATOM 1171 CE1 HIS A 80 3.244 0.238 6.500 1.00 0.00 C ATOM 1172 NE2 HIS A 80 3.201 1.089 7.509 1.00 0.00 N ATOM 0 H HIS A 80 8.658 2.453 5.063 1.00 0.00 H new ATOM 0 HA HIS A 80 6.132 2.254 4.092 1.00 0.00 H new ATOM 0 HB2 HIS A 80 7.088 0.806 5.829 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.075 2.126 6.982 1.00 0.00 H new ATOM 0 HD2 HIS A 80 4.654 2.542 8.278 1.00 0.00 H new ATOM 0 HE1 HIS A 80 2.454 -0.440 6.211 1.00 0.00 H new ATOM 0 HE2 HIS A 80 2.414 1.214 8.146 1.00 0.00 H new ATOM 1181 N ASP A 81 6.213 4.655 6.377 1.00 0.00 N ATOM 1182 CA ASP A 81 5.529 5.861 6.831 1.00 0.00 C ATOM 1183 C ASP A 81 5.044 6.689 5.645 1.00 0.00 C ATOM 1184 O ASP A 81 3.987 7.317 5.707 1.00 0.00 O ATOM 1185 CB ASP A 81 6.458 6.700 7.709 1.00 0.00 C ATOM 1186 CG ASP A 81 7.147 5.875 8.778 1.00 0.00 C ATOM 1187 OD1 ASP A 81 6.564 4.858 9.209 1.00 0.00 O ATOM 1188 OD2 ASP A 81 8.268 6.246 9.184 1.00 0.00 O ATOM 0 H ASP A 81 7.044 4.413 6.916 1.00 0.00 H new ATOM 0 HA ASP A 81 4.662 5.558 7.419 1.00 0.00 H new ATOM 0 HB2 ASP A 81 7.211 7.179 7.083 1.00 0.00 H new ATOM 0 HB3 ASP A 81 5.884 7.496 8.183 1.00 0.00 H new ATOM 1193 N GLN A 82 5.823 6.685 4.568 1.00 0.00 N ATOM 1194 CA GLN A 82 5.472 7.437 3.369 1.00 0.00 C ATOM 1195 C GLN A 82 4.536 6.631 2.475 1.00 0.00 C ATOM 1196 O GLN A 82 3.383 7.009 2.266 1.00 0.00 O ATOM 1197 CB GLN A 82 6.735 7.818 2.594 1.00 0.00 C ATOM 1198 CG GLN A 82 6.480 8.115 1.125 1.00 0.00 C ATOM 1199 CD GLN A 82 5.700 9.398 0.915 1.00 0.00 C ATOM 1200 OE1 GLN A 82 6.251 10.495 1.007 1.00 0.00 O ATOM 1201 NE2 GLN A 82 4.410 9.267 0.631 1.00 0.00 N ATOM 0 H GLN A 82 6.701 6.170 4.501 1.00 0.00 H new ATOM 0 HA GLN A 82 4.955 8.346 3.678 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.187 8.693 3.060 1.00 0.00 H new ATOM 0 HB3 GLN A 82 7.458 7.006 2.672 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.434 8.184 0.602 1.00 0.00 H new ATOM 0 HG3 GLN A 82 5.932 7.284 0.680 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.994 8.338 0.564 1.00 0.00 H new ATOM 0 HE22 GLN A 82 3.835 10.095 0.479 1.00 0.00 H new ATOM 1210 N VAL A 83 5.039 5.519 1.949 1.00 0.00 N ATOM 1211 CA VAL A 83 4.248 4.659 1.078 1.00 0.00 C ATOM 1212 C VAL A 83 2.807 4.559 1.566 1.00 0.00 C ATOM 1213 O VAL A 83 1.868 4.562 0.770 1.00 0.00 O ATOM 1214 CB VAL A 83 4.848 3.244 0.990 1.00 0.00 C ATOM 1215 CG1 VAL A 83 3.936 2.325 0.191 1.00 0.00 C ATOM 1216 CG2 VAL A 83 6.239 3.293 0.375 1.00 0.00 C ATOM 0 H VAL A 83 5.992 5.193 2.111 1.00 0.00 H new ATOM 0 HA VAL A 83 4.263 5.113 0.087 1.00 0.00 H new ATOM 0 HB VAL A 83 4.935 2.842 1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.377 1.330 0.140 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.962 2.266 0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.814 2.720 -0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 83 6.648 2.284 0.320 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.179 3.715 -0.628 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.888 3.915 0.992 1.00 0.00 H new ATOM 1226 N VAL A 84 2.639 4.470 2.882 1.00 0.00 N ATOM 1227 CA VAL A 84 1.312 4.370 3.478 1.00 0.00 C ATOM 1228 C VAL A 84 0.472 5.601 3.159 1.00 0.00 C ATOM 1229 O VAL A 84 -0.672 5.488 2.717 1.00 0.00 O ATOM 1230 CB VAL A 84 1.395 4.201 5.007 1.00 0.00 C ATOM 1231 CG1 VAL A 84 0.003 4.197 5.620 1.00 0.00 C ATOM 1232 CG2 VAL A 84 2.146 2.926 5.362 1.00 0.00 C ATOM 0 H VAL A 84 3.405 4.465 3.555 1.00 0.00 H new ATOM 0 HA VAL A 84 0.837 3.488 3.047 1.00 0.00 H new ATOM 0 HB VAL A 84 1.945 5.047 5.419 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.082 4.077 6.700 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.496 5.140 5.395 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.575 3.372 5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.195 2.823 6.446 1.00 0.00 H new ATOM 0 HG22 VAL A 84 1.625 2.067 4.939 1.00 0.00 H new ATOM 0 HG23 VAL A 84 3.156 2.974 4.956 1.00 0.00 H new ATOM 1242 N LEU A 85 1.047 6.777 3.384 1.00 0.00 N ATOM 1243 CA LEU A 85 0.351 8.032 3.120 1.00 0.00 C ATOM 1244 C LEU A 85 0.071 8.196 1.630 1.00 0.00 C ATOM 1245 O LEU A 85 -1.047 8.519 1.229 1.00 0.00 O ATOM 1246 CB LEU A 85 1.179 9.214 3.628 1.00 0.00 C ATOM 1247 CG LEU A 85 0.965 9.603 5.091 1.00 0.00 C ATOM 1248 CD1 LEU A 85 1.412 8.480 6.014 1.00 0.00 C ATOM 1249 CD2 LEU A 85 1.710 10.890 5.415 1.00 0.00 C ATOM 0 H LEU A 85 1.993 6.888 3.749 1.00 0.00 H new ATOM 0 HA LEU A 85 -0.601 8.009 3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.234 8.981 3.485 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.957 10.081 3.006 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.100 9.773 5.249 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.252 8.776 7.051 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.834 7.581 5.800 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.471 8.277 5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.546 11.152 6.460 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.776 10.747 5.239 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.342 11.694 4.778 1.00 0.00 H new ATOM 1261 N PHE A 86 1.094 7.968 0.812 1.00 0.00 N ATOM 1262 CA PHE A 86 0.958 8.090 -0.635 1.00 0.00 C ATOM 1263 C PHE A 86 -0.380 7.527 -1.104 1.00 0.00 C ATOM 1264 O PHE A 86 -1.228 8.259 -1.615 1.00 0.00 O ATOM 1265 CB PHE A 86 2.105 7.362 -1.339 1.00 0.00 C ATOM 1266 CG PHE A 86 2.466 7.958 -2.670 1.00 0.00 C ATOM 1267 CD1 PHE A 86 1.628 7.804 -3.762 1.00 0.00 C ATOM 1268 CD2 PHE A 86 3.643 8.672 -2.828 1.00 0.00 C ATOM 1269 CE1 PHE A 86 1.958 8.351 -4.988 1.00 0.00 C ATOM 1270 CE2 PHE A 86 3.978 9.221 -4.051 1.00 0.00 C ATOM 1271 CZ PHE A 86 3.133 9.061 -5.132 1.00 0.00 C ATOM 0 H PHE A 86 2.026 7.698 1.127 1.00 0.00 H new ATOM 0 HA PHE A 86 0.997 9.149 -0.891 1.00 0.00 H new ATOM 0 HB2 PHE A 86 2.983 7.375 -0.694 1.00 0.00 H new ATOM 0 HB3 PHE A 86 1.829 6.317 -1.481 1.00 0.00 H new ATOM 0 HD1 PHE A 86 0.707 7.251 -3.655 1.00 0.00 H new ATOM 0 HD2 PHE A 86 4.306 8.801 -1.985 1.00 0.00 H new ATOM 0 HE1 PHE A 86 1.297 8.223 -5.832 1.00 0.00 H new ATOM 0 HE2 PHE A 86 4.899 9.774 -4.162 1.00 0.00 H new ATOM 0 HZ PHE A 86 3.391 9.491 -6.089 1.00 0.00 H new ATOM 1281 N ILE A 87 -0.562 6.223 -0.927 1.00 0.00 N ATOM 1282 CA ILE A 87 -1.796 5.562 -1.332 1.00 0.00 C ATOM 1283 C ILE A 87 -3.014 6.257 -0.733 1.00 0.00 C ATOM 1284 O ILE A 87 -3.991 6.532 -1.430 1.00 0.00 O ATOM 1285 CB ILE A 87 -1.806 4.080 -0.911 1.00 0.00 C ATOM 1286 CG1 ILE A 87 -0.637 3.336 -1.558 1.00 0.00 C ATOM 1287 CG2 ILE A 87 -3.129 3.431 -1.288 1.00 0.00 C ATOM 1288 CD1 ILE A 87 -0.160 2.145 -0.756 1.00 0.00 C ATOM 0 H ILE A 87 0.130 5.603 -0.506 1.00 0.00 H new ATOM 0 HA ILE A 87 -1.844 5.623 -2.419 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.693 4.024 0.172 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.936 2.999 -2.551 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.194 4.029 -1.693 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.120 2.384 -0.984 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.945 3.949 -0.784 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -3.271 3.494 -2.367 1.00 0.00 H new ATOM 0 HD11 ILE A 87 0.670 1.666 -1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.170 2.478 0.228 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -0.977 1.432 -0.643 1.00 0.00 H new ATOM 1300 N LYS A 88 -2.948 6.541 0.563 1.00 0.00 N ATOM 1301 CA LYS A 88 -4.043 7.207 1.258 1.00 0.00 C ATOM 1302 C LYS A 88 -4.403 8.521 0.572 1.00 0.00 C ATOM 1303 O LYS A 88 -5.575 8.883 0.478 1.00 0.00 O ATOM 1304 CB LYS A 88 -3.665 7.468 2.717 1.00 0.00 C ATOM 1305 CG LYS A 88 -3.901 6.277 3.629 1.00 0.00 C ATOM 1306 CD LYS A 88 -3.033 6.347 4.875 1.00 0.00 C ATOM 1307 CE LYS A 88 -3.640 7.264 5.926 1.00 0.00 C ATOM 1308 NZ LYS A 88 -4.753 6.604 6.662 1.00 0.00 N ATOM 0 H LYS A 88 -2.147 6.320 1.154 1.00 0.00 H new ATOM 0 HA LYS A 88 -4.913 6.551 1.227 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -2.613 7.750 2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -4.240 8.317 3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -4.951 6.242 3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -3.688 5.355 3.088 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.910 5.347 5.291 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -2.039 6.706 4.608 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.868 7.568 6.632 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -4.009 8.171 5.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -5.433 7.323 6.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -5.232 5.928 6.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -4.372 6.099 7.487 1.00 0.00 H new ATOM 1322 N ALA A 89 -3.386 9.231 0.092 1.00 0.00 N ATOM 1323 CA ALA A 89 -3.596 10.503 -0.588 1.00 0.00 C ATOM 1324 C ALA A 89 -4.673 10.380 -1.661 1.00 0.00 C ATOM 1325 O ALA A 89 -5.290 11.371 -2.050 1.00 0.00 O ATOM 1326 CB ALA A 89 -2.293 10.996 -1.199 1.00 0.00 C ATOM 0 H ALA A 89 -2.409 8.946 0.162 1.00 0.00 H new ATOM 0 HA ALA A 89 -3.936 11.230 0.150 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -2.465 11.947 -1.704 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -1.551 11.131 -0.412 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -1.929 10.263 -1.919 1.00 0.00 H new ATOM 1429 N GLU A 97 -7.444 6.201 -10.990 1.00 0.00 N ATOM 1430 CA GLU A 97 -7.691 4.824 -10.578 1.00 0.00 C ATOM 1431 C GLU A 97 -6.497 4.264 -9.811 1.00 0.00 C ATOM 1432 O GLU A 97 -5.344 4.490 -10.181 1.00 0.00 O ATOM 1433 CB GLU A 97 -7.984 3.949 -11.798 1.00 0.00 C ATOM 1434 CG GLU A 97 -8.306 2.506 -11.448 1.00 0.00 C ATOM 1435 CD GLU A 97 -9.768 2.303 -11.097 1.00 0.00 C ATOM 1436 OE1 GLU A 97 -10.299 3.092 -10.288 1.00 0.00 O ATOM 1437 OE2 GLU A 97 -10.380 1.355 -11.633 1.00 0.00 O ATOM 0 HA GLU A 97 -8.559 4.818 -9.919 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -8.822 4.376 -12.348 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -7.122 3.969 -12.464 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -8.046 1.865 -12.290 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -7.687 2.193 -10.607 1.00 0.00 H new ATOM 1444 N LEU A 98 -6.781 3.531 -8.740 1.00 0.00 N ATOM 1445 CA LEU A 98 -5.732 2.937 -7.918 1.00 0.00 C ATOM 1446 C LEU A 98 -5.117 1.726 -8.612 1.00 0.00 C ATOM 1447 O LEU A 98 -5.744 0.673 -8.716 1.00 0.00 O ATOM 1448 CB LEU A 98 -6.294 2.527 -6.556 1.00 0.00 C ATOM 1449 CG LEU A 98 -5.302 2.530 -5.392 1.00 0.00 C ATOM 1450 CD1 LEU A 98 -4.034 1.780 -5.769 1.00 0.00 C ATOM 1451 CD2 LEU A 98 -4.975 3.956 -4.974 1.00 0.00 C ATOM 0 H LEU A 98 -7.729 3.334 -8.420 1.00 0.00 H new ATOM 0 HA LEU A 98 -4.952 3.685 -7.772 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.117 3.198 -6.308 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.715 1.526 -6.646 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.763 2.021 -4.546 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.340 1.793 -4.928 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.282 0.748 -6.019 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -3.570 2.260 -6.630 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.268 3.939 -4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.534 4.490 -5.816 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.888 4.462 -4.662 1.00 0.00 H new ATOM 1463 N MET A 99 -3.884 1.884 -9.084 1.00 0.00 N ATOM 1464 CA MET A 99 -3.183 0.802 -9.765 1.00 0.00 C ATOM 1465 C MET A 99 -1.943 0.380 -8.983 1.00 0.00 C ATOM 1466 O MET A 99 -1.239 1.218 -8.417 1.00 0.00 O ATOM 1467 CB MET A 99 -2.786 1.233 -11.179 1.00 0.00 C ATOM 1468 CG MET A 99 -3.914 1.113 -12.190 1.00 0.00 C ATOM 1469 SD MET A 99 -3.719 2.237 -13.586 1.00 0.00 S ATOM 1470 CE MET A 99 -4.027 1.129 -14.959 1.00 0.00 C ATOM 0 H MET A 99 -3.351 2.750 -9.007 1.00 0.00 H new ATOM 0 HA MET A 99 -3.858 -0.051 -9.829 1.00 0.00 H new ATOM 0 HB2 MET A 99 -2.442 2.267 -11.152 1.00 0.00 H new ATOM 0 HB3 MET A 99 -1.944 0.626 -11.512 1.00 0.00 H new ATOM 0 HG2 MET A 99 -3.959 0.088 -12.558 1.00 0.00 H new ATOM 0 HG3 MET A 99 -4.863 1.316 -11.695 1.00 0.00 H new ATOM 0 HE1 MET A 99 -4.511 1.677 -15.767 1.00 0.00 H new ATOM 0 HE2 MET A 99 -3.082 0.719 -15.314 1.00 0.00 H new ATOM 0 HE3 MET A 99 -4.675 0.316 -14.632 1.00 0.00 H new ATOM 1480 N LEU A 100 -1.682 -0.922 -8.954 1.00 0.00 N ATOM 1481 CA LEU A 100 -0.527 -1.455 -8.241 1.00 0.00 C ATOM 1482 C LEU A 100 0.147 -2.562 -9.045 1.00 0.00 C ATOM 1483 O LEU A 100 -0.517 -3.465 -9.555 1.00 0.00 O ATOM 1484 CB LEU A 100 -0.950 -1.989 -6.871 1.00 0.00 C ATOM 1485 CG LEU A 100 -1.799 -1.047 -6.016 1.00 0.00 C ATOM 1486 CD1 LEU A 100 -2.713 -1.840 -5.096 1.00 0.00 C ATOM 1487 CD2 LEU A 100 -0.909 -0.112 -5.211 1.00 0.00 C ATOM 0 H LEU A 100 -2.255 -1.628 -9.416 1.00 0.00 H new ATOM 0 HA LEU A 100 0.189 -0.645 -8.103 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -1.508 -2.914 -7.020 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -0.051 -2.246 -6.310 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.420 -0.444 -6.679 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.309 -1.153 -4.495 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.374 -2.468 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.112 -2.468 -4.439 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -1.529 0.551 -4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.263 -0.698 -4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.296 0.481 -5.890 1.00 0.00 H new ATOM 1499 N LEU A 101 1.469 -2.487 -9.152 1.00 0.00 N ATOM 1500 CA LEU A 101 2.234 -3.484 -9.893 1.00 0.00 C ATOM 1501 C LEU A 101 2.779 -4.558 -8.957 1.00 0.00 C ATOM 1502 O LEU A 101 3.790 -4.356 -8.284 1.00 0.00 O ATOM 1503 CB LEU A 101 3.386 -2.816 -10.646 1.00 0.00 C ATOM 1504 CG LEU A 101 4.092 -3.677 -11.694 1.00 0.00 C ATOM 1505 CD1 LEU A 101 3.177 -3.927 -12.883 1.00 0.00 C ATOM 1506 CD2 LEU A 101 5.386 -3.016 -12.145 1.00 0.00 C ATOM 0 H LEU A 101 2.033 -1.747 -8.735 1.00 0.00 H new ATOM 0 HA LEU A 101 1.565 -3.959 -10.611 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.002 -1.922 -11.138 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.127 -2.486 -9.918 1.00 0.00 H new ATOM 0 HG LEU A 101 4.337 -4.638 -11.241 1.00 0.00 H new ATOM 0 HD11 LEU A 101 3.696 -4.541 -13.619 1.00 0.00 H new ATOM 0 HD12 LEU A 101 2.278 -4.444 -12.548 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.900 -2.975 -13.336 1.00 0.00 H new ATOM 0 HD21 LEU A 101 5.874 -3.643 -12.891 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.164 -2.041 -12.580 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.048 -2.889 -11.288 1.00 0.00 H new ATOM 1518 N VAL A 102 2.102 -5.702 -8.919 1.00 0.00 N ATOM 1519 CA VAL A 102 2.520 -6.810 -8.068 1.00 0.00 C ATOM 1520 C VAL A 102 3.202 -7.902 -8.884 1.00 0.00 C ATOM 1521 O VAL A 102 2.933 -8.062 -10.074 1.00 0.00 O ATOM 1522 CB VAL A 102 1.324 -7.419 -7.312 1.00 0.00 C ATOM 1523 CG1 VAL A 102 0.596 -6.348 -6.514 1.00 0.00 C ATOM 1524 CG2 VAL A 102 0.377 -8.109 -8.282 1.00 0.00 C ATOM 0 H VAL A 102 1.262 -5.885 -9.468 1.00 0.00 H new ATOM 0 HA VAL A 102 3.228 -6.405 -7.345 1.00 0.00 H new ATOM 0 HB VAL A 102 1.700 -8.166 -6.613 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -0.246 -6.796 -5.987 1.00 0.00 H new ATOM 0 HG12 VAL A 102 1.281 -5.903 -5.792 1.00 0.00 H new ATOM 0 HG13 VAL A 102 0.230 -5.576 -7.191 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -0.462 -8.534 -7.731 1.00 0.00 H new ATOM 0 HG22 VAL A 102 0.006 -7.384 -9.006 1.00 0.00 H new ATOM 0 HG23 VAL A 102 0.908 -8.905 -8.805 1.00 0.00 H new ATOM 1534 N ARG A 103 4.085 -8.654 -8.234 1.00 0.00 N ATOM 1535 CA ARG A 103 4.807 -9.732 -8.899 1.00 0.00 C ATOM 1536 C ARG A 103 4.198 -11.088 -8.554 1.00 0.00 C ATOM 1537 O ARG A 103 3.915 -11.391 -7.394 1.00 0.00 O ATOM 1538 CB ARG A 103 6.284 -9.708 -8.502 1.00 0.00 C ATOM 1539 CG ARG A 103 7.187 -10.456 -9.468 1.00 0.00 C ATOM 1540 CD ARG A 103 8.648 -10.085 -9.265 1.00 0.00 C ATOM 1541 NE ARG A 103 9.492 -10.570 -10.354 1.00 0.00 N ATOM 1542 CZ ARG A 103 9.947 -11.816 -10.432 1.00 0.00 C ATOM 1543 NH1 ARG A 103 9.641 -12.697 -9.490 1.00 0.00 N ATOM 1544 NH2 ARG A 103 10.710 -12.182 -11.455 1.00 0.00 N ATOM 0 H ARG A 103 4.317 -8.536 -7.248 1.00 0.00 H new ATOM 0 HA ARG A 103 4.726 -9.579 -9.975 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.617 -8.672 -8.435 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.391 -10.142 -7.508 1.00 0.00 H new ATOM 0 HG2 ARG A 103 7.060 -11.530 -9.329 1.00 0.00 H new ATOM 0 HG3 ARG A 103 6.892 -10.230 -10.493 1.00 0.00 H new ATOM 0 HD2 ARG A 103 8.740 -9.001 -9.190 1.00 0.00 H new ATOM 0 HD3 ARG A 103 9.000 -10.501 -8.321 1.00 0.00 H new ATOM 0 HE ARG A 103 9.746 -9.917 -11.095 1.00 0.00 H new ATOM 0 HH11 ARG A 103 9.055 -12.419 -8.703 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.992 -13.653 -9.552 1.00 0.00 H new ATOM 0 HH21 ARG A 103 10.947 -11.507 -12.182 1.00 0.00 H new ATOM 0 HH22 ARG A 103 11.059 -13.139 -11.514 1.00 0.00 H new ATOM 1558 N PRO A 104 3.990 -11.923 -9.582 1.00 0.00 N ATOM 1559 CA PRO A 104 3.413 -13.260 -9.412 1.00 0.00 C ATOM 1560 C PRO A 104 4.364 -14.216 -8.700 1.00 0.00 C ATOM 1561 O PRO A 104 5.484 -14.444 -9.155 1.00 0.00 O ATOM 1562 CB PRO A 104 3.164 -13.724 -10.849 1.00 0.00 C ATOM 1563 CG PRO A 104 4.145 -12.960 -11.669 1.00 0.00 C ATOM 1564 CD PRO A 104 4.303 -11.627 -10.990 1.00 0.00 C ATOM 0 HA PRO A 104 2.515 -13.241 -8.794 1.00 0.00 H new ATOM 0 HB2 PRO A 104 3.316 -14.799 -10.950 1.00 0.00 H new ATOM 0 HB3 PRO A 104 2.140 -13.516 -11.160 1.00 0.00 H new ATOM 0 HG2 PRO A 104 5.099 -13.485 -11.726 1.00 0.00 H new ATOM 0 HG3 PRO A 104 3.787 -12.837 -12.691 1.00 0.00 H new ATOM 0 HD2 PRO A 104 5.314 -11.235 -11.103 1.00 0.00 H new ATOM 0 HD3 PRO A 104 3.624 -10.882 -11.405 1.00 0.00 H new