USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 683 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 15 HIS : no HD1:sc= -0.0347 X(o=-0.035,f=-0.19) USER MOD Single : A 26 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.046) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -24:sc= -0.014 USER MOD Single : A 38 SER OG : rot 180:sc= -0.595 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.428 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.173 USER MOD Single : A 55 HIS : no HD1:sc= -0.0625 X(o=-0.062,f=-0.4) USER MOD Single : A 57 ASN : amide:sc= -2.12 X(o=-2.1,f=-2.2) USER MOD Single : A 60 ASN : amide:sc= -0.542 K(o=-0.54,f=-5.6!) USER MOD Single : A 65 GLN : amide:sc= -0.258 K(o=-0.26,f=-3.9!) USER MOD Single : A 69 TYR OH : rot -11:sc= -0.479 USER MOD Single : A 70 HIS : no HD1:sc= -2.43 X(o=-2.4,f=-2.1) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.02 K(o=-1,f=-2.2) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 89:sc= 0.47 USER MOD Single : A 84 THR OG1 : rot -22:sc= 0.423 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.033 K(o=-0.033,f=-1.7!) USER MOD Single : A 95 SER OG : rot 33:sc= 0.317 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 14 -15.083 -7.281 10.080 1.00 0.00 N ATOM 174 CA VAL A 14 -15.371 -6.043 9.365 1.00 0.00 C ATOM 175 C VAL A 14 -16.375 -6.277 8.242 1.00 0.00 C ATOM 176 O VAL A 14 -16.291 -7.269 7.516 1.00 0.00 O ATOM 177 CB VAL A 14 -14.090 -5.425 8.774 1.00 0.00 C ATOM 178 CG1 VAL A 14 -14.429 -4.226 7.902 1.00 0.00 C ATOM 179 CG2 VAL A 14 -13.127 -5.033 9.884 1.00 0.00 C ATOM 0 HA VAL A 14 -15.798 -5.351 10.091 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.602 -6.172 8.148 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.512 -3.802 7.493 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -15.078 -4.542 7.085 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.940 -3.473 8.502 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.227 -4.598 9.448 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.603 -4.302 10.538 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.859 -5.917 10.462 1.00 0.00 H new ATOM 189 N HIS A 15 -17.325 -5.358 8.103 1.00 0.00 N ATOM 190 CA HIS A 15 -18.346 -5.464 7.067 1.00 0.00 C ATOM 191 C HIS A 15 -18.442 -4.170 6.265 1.00 0.00 C ATOM 192 O HIS A 15 -18.967 -3.166 6.748 1.00 0.00 O ATOM 193 CB HIS A 15 -19.703 -5.794 7.689 1.00 0.00 C ATOM 194 CG HIS A 15 -19.828 -7.219 8.131 1.00 0.00 C ATOM 195 ND1 HIS A 15 -19.407 -8.285 7.365 1.00 0.00 N ATOM 196 CD2 HIS A 15 -20.330 -7.752 9.270 1.00 0.00 C ATOM 197 CE1 HIS A 15 -19.646 -9.412 8.012 1.00 0.00 C ATOM 198 NE2 HIS A 15 -20.205 -9.116 9.171 1.00 0.00 N ATOM 0 H HIS A 15 -17.409 -4.531 8.695 1.00 0.00 H new ATOM 0 HA HIS A 15 -18.060 -6.270 6.391 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -19.870 -5.141 8.545 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -20.488 -5.577 6.965 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -20.750 -7.206 10.102 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -19.422 -10.406 7.654 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -20.497 -9.791 9.878 1.00 0.00 H new ATOM 206 N ILE A 16 -17.930 -4.200 5.039 1.00 0.00 N ATOM 207 CA ILE A 16 -17.959 -3.029 4.171 1.00 0.00 C ATOM 208 C ILE A 16 -19.383 -2.515 3.989 1.00 0.00 C ATOM 209 O ILE A 16 -20.151 -3.054 3.191 1.00 0.00 O ATOM 210 CB ILE A 16 -17.356 -3.339 2.788 1.00 0.00 C ATOM 211 CG1 ILE A 16 -15.911 -3.822 2.934 1.00 0.00 C ATOM 212 CG2 ILE A 16 -17.422 -2.109 1.894 1.00 0.00 C ATOM 213 CD1 ILE A 16 -14.976 -2.770 3.488 1.00 0.00 C ATOM 0 H ILE A 16 -17.490 -5.022 4.625 1.00 0.00 H new ATOM 0 HA ILE A 16 -17.357 -2.261 4.657 1.00 0.00 H new ATOM 0 HB ILE A 16 -17.939 -4.134 2.323 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -15.892 -4.694 3.588 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -15.544 -4.146 1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -16.992 -2.344 0.920 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -18.461 -1.806 1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -16.860 -1.295 2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.970 -3.182 3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -14.965 -1.906 2.823 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -15.318 -2.463 4.476 1.00 0.00 H new ATOM 225 N ILE A 17 -19.727 -1.468 4.731 1.00 0.00 N ATOM 226 CA ILE A 17 -21.058 -0.879 4.649 1.00 0.00 C ATOM 227 C ILE A 17 -21.234 -0.096 3.352 1.00 0.00 C ATOM 228 O ILE A 17 -22.082 -0.429 2.525 1.00 0.00 O ATOM 229 CB ILE A 17 -21.334 0.056 5.841 1.00 0.00 C ATOM 230 CG1 ILE A 17 -20.916 -0.615 7.151 1.00 0.00 C ATOM 231 CG2 ILE A 17 -22.805 0.441 5.883 1.00 0.00 C ATOM 232 CD1 ILE A 17 -21.160 0.242 8.374 1.00 0.00 C ATOM 0 H ILE A 17 -19.103 -1.010 5.395 1.00 0.00 H new ATOM 0 HA ILE A 17 -21.770 -1.704 4.672 1.00 0.00 H new ATOM 0 HB ILE A 17 -20.744 0.964 5.715 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -21.461 -1.553 7.260 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -19.857 -0.867 7.099 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -22.984 1.102 6.731 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.073 0.955 4.960 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -23.413 -0.457 5.988 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -20.840 -0.297 9.266 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -20.593 1.169 8.288 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.223 0.472 8.451 1.00 0.00 H new ATOM 244 N GLU A 18 -20.424 0.945 3.181 1.00 0.00 N ATOM 245 CA GLU A 18 -20.490 1.775 1.984 1.00 0.00 C ATOM 246 C GLU A 18 -19.129 1.849 1.298 1.00 0.00 C ATOM 247 O GLU A 18 -18.394 2.824 1.458 1.00 0.00 O ATOM 248 CB GLU A 18 -20.973 3.183 2.338 1.00 0.00 C ATOM 249 CG GLU A 18 -22.206 3.198 3.226 1.00 0.00 C ATOM 250 CD GLU A 18 -22.674 4.604 3.550 1.00 0.00 C ATOM 251 OE1 GLU A 18 -21.963 5.564 3.188 1.00 0.00 O ATOM 252 OE2 GLU A 18 -23.752 4.742 4.165 1.00 0.00 O ATOM 0 H GLU A 18 -19.715 1.233 3.856 1.00 0.00 H new ATOM 0 HA GLU A 18 -21.200 1.318 1.295 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -20.167 3.719 2.840 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -21.192 3.725 1.418 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -23.012 2.656 2.732 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -21.988 2.669 4.154 1.00 0.00 H new ATOM 259 N ASP A 19 -18.800 0.813 0.535 1.00 0.00 N ATOM 260 CA ASP A 19 -17.528 0.760 -0.176 1.00 0.00 C ATOM 261 C ASP A 19 -17.308 2.030 -0.992 1.00 0.00 C ATOM 262 O ASP A 19 -18.255 2.755 -1.298 1.00 0.00 O ATOM 263 CB ASP A 19 -17.482 -0.464 -1.091 1.00 0.00 C ATOM 264 CG ASP A 19 -16.064 -0.882 -1.428 1.00 0.00 C ATOM 265 OD1 ASP A 19 -15.450 -0.243 -2.308 1.00 0.00 O ATOM 266 OD2 ASP A 19 -15.568 -1.850 -0.813 1.00 0.00 O ATOM 0 H ASP A 19 -19.397 -0.002 0.393 1.00 0.00 H new ATOM 0 HA ASP A 19 -16.730 0.682 0.562 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -17.997 -1.294 -0.608 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.022 -0.246 -2.012 1.00 0.00 H new ATOM 271 N LEU A 20 -16.054 2.293 -1.340 1.00 0.00 N ATOM 272 CA LEU A 20 -15.709 3.477 -2.120 1.00 0.00 C ATOM 273 C LEU A 20 -16.518 3.532 -3.412 1.00 0.00 C ATOM 274 O LEU A 20 -17.269 2.609 -3.725 1.00 0.00 O ATOM 275 CB LEU A 20 -14.213 3.482 -2.441 1.00 0.00 C ATOM 276 CG LEU A 20 -13.272 3.263 -1.256 1.00 0.00 C ATOM 277 CD1 LEU A 20 -12.098 2.386 -1.662 1.00 0.00 C ATOM 278 CD2 LEU A 20 -12.780 4.597 -0.713 1.00 0.00 C ATOM 0 H LEU A 20 -15.259 1.703 -1.095 1.00 0.00 H new ATOM 0 HA LEU A 20 -15.950 4.358 -1.524 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.018 2.707 -3.182 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -13.964 4.436 -2.905 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.825 2.753 -0.467 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.439 2.241 -0.806 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.467 1.419 -2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.545 2.868 -2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.111 4.422 0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.244 5.133 -1.496 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.632 5.192 -0.383 1.00 0.00 H new ATOM 290 N GLU A 21 -16.358 4.621 -4.158 1.00 0.00 N ATOM 291 CA GLU A 21 -17.073 4.795 -5.417 1.00 0.00 C ATOM 292 C GLU A 21 -16.098 4.983 -6.575 1.00 0.00 C ATOM 293 O GLU A 21 -15.880 4.070 -7.372 1.00 0.00 O ATOM 294 CB GLU A 21 -18.017 5.996 -5.330 1.00 0.00 C ATOM 295 CG GLU A 21 -17.601 7.024 -4.292 1.00 0.00 C ATOM 296 CD GLU A 21 -18.114 8.415 -4.610 1.00 0.00 C ATOM 297 OE1 GLU A 21 -19.119 8.523 -5.343 1.00 0.00 O ATOM 298 OE2 GLU A 21 -17.511 9.395 -4.126 1.00 0.00 O ATOM 0 H GLU A 21 -15.740 5.395 -3.913 1.00 0.00 H new ATOM 0 HA GLU A 21 -17.658 3.894 -5.601 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -18.068 6.478 -6.306 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -19.021 5.642 -5.096 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -17.973 6.718 -3.314 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.513 7.048 -4.226 1.00 0.00 H new ATOM 305 N ASP A 22 -15.515 6.174 -6.662 1.00 0.00 N ATOM 306 CA ASP A 22 -14.562 6.483 -7.722 1.00 0.00 C ATOM 307 C ASP A 22 -14.045 7.912 -7.589 1.00 0.00 C ATOM 308 O ASP A 22 -14.634 8.733 -6.885 1.00 0.00 O ATOM 309 CB ASP A 22 -15.211 6.288 -9.093 1.00 0.00 C ATOM 310 CG ASP A 22 -16.603 6.886 -9.165 1.00 0.00 C ATOM 311 OD1 ASP A 22 -17.569 6.186 -8.797 1.00 0.00 O ATOM 312 OD2 ASP A 22 -16.726 8.054 -9.590 1.00 0.00 O ATOM 0 H ASP A 22 -15.686 6.941 -6.011 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.718 5.800 -7.628 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.583 6.745 -9.858 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.264 5.223 -9.318 1.00 0.00 H new ATOM 317 N VAL A 23 -12.941 8.203 -8.268 1.00 0.00 N ATOM 318 CA VAL A 23 -12.344 9.532 -8.226 1.00 0.00 C ATOM 319 C VAL A 23 -11.628 9.855 -9.532 1.00 0.00 C ATOM 320 O VAL A 23 -11.028 8.980 -10.156 1.00 0.00 O ATOM 321 CB VAL A 23 -11.347 9.663 -7.060 1.00 0.00 C ATOM 322 CG1 VAL A 23 -10.708 11.043 -7.055 1.00 0.00 C ATOM 323 CG2 VAL A 23 -12.038 9.382 -5.734 1.00 0.00 C ATOM 0 H VAL A 23 -12.441 7.535 -8.855 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.159 10.240 -8.078 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.557 8.924 -7.196 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.007 11.116 -6.224 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.176 11.201 -7.993 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.482 11.802 -6.944 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.318 9.479 -4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.849 10.095 -5.588 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.442 8.370 -5.742 1.00 0.00 H new ATOM 333 N ASP A 24 -11.694 11.118 -9.940 1.00 0.00 N ATOM 334 CA ASP A 24 -11.050 11.558 -11.172 1.00 0.00 C ATOM 335 C ASP A 24 -10.744 13.051 -11.123 1.00 0.00 C ATOM 336 O ASP A 24 -11.639 13.884 -11.270 1.00 0.00 O ATOM 337 CB ASP A 24 -11.939 11.246 -12.377 1.00 0.00 C ATOM 338 CG ASP A 24 -13.343 11.796 -12.219 1.00 0.00 C ATOM 339 OD1 ASP A 24 -14.146 11.174 -11.492 1.00 0.00 O ATOM 340 OD2 ASP A 24 -13.638 12.850 -12.820 1.00 0.00 O ATOM 0 H ASP A 24 -12.187 11.855 -9.435 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.110 11.016 -11.274 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.487 11.665 -13.276 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.989 10.166 -12.518 1.00 0.00 H new ATOM 345 N VAL A 25 -9.475 13.384 -10.912 1.00 0.00 N ATOM 346 CA VAL A 25 -9.051 14.777 -10.843 1.00 0.00 C ATOM 347 C VAL A 25 -7.616 14.940 -11.331 1.00 0.00 C ATOM 348 O VAL A 25 -6.864 13.969 -11.412 1.00 0.00 O ATOM 349 CB VAL A 25 -9.158 15.326 -9.407 1.00 0.00 C ATOM 350 CG1 VAL A 25 -10.569 15.142 -8.869 1.00 0.00 C ATOM 351 CG2 VAL A 25 -8.141 14.648 -8.501 1.00 0.00 C ATOM 0 H VAL A 25 -8.722 12.708 -10.786 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.719 15.343 -11.492 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.939 16.394 -9.427 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.626 15.535 -7.854 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.274 15.677 -9.505 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.820 14.081 -8.861 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.230 15.048 -7.491 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.327 13.574 -8.484 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.136 14.836 -8.878 1.00 0.00 H new ATOM 361 N GLN A 26 -7.243 16.175 -11.654 1.00 0.00 N ATOM 362 CA GLN A 26 -5.898 16.464 -12.135 1.00 0.00 C ATOM 363 C GLN A 26 -4.856 16.123 -11.075 1.00 0.00 C ATOM 364 O GLN A 26 -5.036 16.424 -9.896 1.00 0.00 O ATOM 365 CB GLN A 26 -5.780 17.938 -12.528 1.00 0.00 C ATOM 366 CG GLN A 26 -5.661 18.877 -11.338 1.00 0.00 C ATOM 367 CD GLN A 26 -6.402 20.183 -11.548 1.00 0.00 C ATOM 368 OE1 GLN A 26 -5.831 21.264 -11.403 1.00 0.00 O ATOM 369 NE2 GLN A 26 -7.681 20.089 -11.893 1.00 0.00 N ATOM 0 H GLN A 26 -7.853 16.990 -11.591 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.712 15.845 -13.013 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.908 18.066 -13.170 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.653 18.220 -13.117 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.051 18.382 -10.449 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.608 19.087 -11.150 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -8.114 19.172 -12.002 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.231 20.934 -12.049 1.00 0.00 H new ATOM 378 N GLU A 27 -3.766 15.494 -11.505 1.00 0.00 N ATOM 379 CA GLU A 27 -2.696 15.111 -10.591 1.00 0.00 C ATOM 380 C GLU A 27 -2.242 16.304 -9.754 1.00 0.00 C ATOM 381 O GLU A 27 -2.293 17.447 -10.205 1.00 0.00 O ATOM 382 CB GLU A 27 -1.510 14.540 -11.371 1.00 0.00 C ATOM 383 CG GLU A 27 -0.592 15.605 -11.947 1.00 0.00 C ATOM 384 CD GLU A 27 0.683 15.774 -11.144 1.00 0.00 C ATOM 385 OE1 GLU A 27 1.622 14.975 -11.346 1.00 0.00 O ATOM 386 OE2 GLU A 27 0.742 16.704 -10.313 1.00 0.00 O ATOM 0 H GLU A 27 -3.601 15.239 -12.479 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.083 14.345 -9.919 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.932 13.891 -10.713 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.886 13.918 -12.183 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.338 15.343 -12.974 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.123 16.556 -11.983 1.00 0.00 H new ATOM 393 N GLY A 28 -1.800 16.028 -8.531 1.00 0.00 N ATOM 394 CA GLY A 28 -1.344 17.087 -7.650 1.00 0.00 C ATOM 395 C GLY A 28 -2.441 17.588 -6.731 1.00 0.00 C ATOM 396 O GLY A 28 -2.169 18.276 -5.747 1.00 0.00 O ATOM 0 H GLY A 28 -1.750 15.090 -8.135 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.510 16.723 -7.050 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.968 17.917 -8.248 1.00 0.00 H new ATOM 400 N SER A 29 -3.684 17.244 -7.053 1.00 0.00 N ATOM 401 CA SER A 29 -4.826 17.669 -6.252 1.00 0.00 C ATOM 402 C SER A 29 -5.067 16.704 -5.095 1.00 0.00 C ATOM 403 O SER A 29 -4.302 15.762 -4.889 1.00 0.00 O ATOM 404 CB SER A 29 -6.080 17.762 -7.123 1.00 0.00 C ATOM 405 OG SER A 29 -6.048 18.918 -7.942 1.00 0.00 O ATOM 0 H SER A 29 -3.926 16.672 -7.863 1.00 0.00 H new ATOM 0 HA SER A 29 -4.604 18.654 -5.841 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.159 16.872 -7.748 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.966 17.786 -6.489 1.00 0.00 H new ATOM 0 HG SER A 29 -6.860 18.953 -8.490 1.00 0.00 H new ATOM 411 N SER A 30 -6.136 16.946 -4.343 1.00 0.00 N ATOM 412 CA SER A 30 -6.477 16.102 -3.205 1.00 0.00 C ATOM 413 C SER A 30 -7.733 15.285 -3.491 1.00 0.00 C ATOM 414 O SER A 30 -8.851 15.785 -3.375 1.00 0.00 O ATOM 415 CB SER A 30 -6.685 16.957 -1.953 1.00 0.00 C ATOM 416 OG SER A 30 -6.015 18.200 -2.068 1.00 0.00 O ATOM 0 H SER A 30 -6.781 17.720 -4.502 1.00 0.00 H new ATOM 0 HA SER A 30 -5.649 15.414 -3.033 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.750 17.127 -1.798 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.317 16.422 -1.078 1.00 0.00 H new ATOM 0 HG SER A 30 -6.165 18.729 -1.256 1.00 0.00 H new ATOM 422 N ALA A 31 -7.539 14.024 -3.865 1.00 0.00 N ATOM 423 CA ALA A 31 -8.655 13.137 -4.167 1.00 0.00 C ATOM 424 C ALA A 31 -9.250 12.550 -2.891 1.00 0.00 C ATOM 425 O ALA A 31 -8.545 11.932 -2.091 1.00 0.00 O ATOM 426 CB ALA A 31 -8.206 12.024 -5.102 1.00 0.00 C ATOM 0 H ALA A 31 -6.619 13.594 -3.966 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.429 13.723 -4.662 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.050 11.369 -5.319 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.834 12.457 -6.031 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.412 11.448 -4.627 1.00 0.00 H new ATOM 432 N THR A 32 -10.551 12.748 -2.704 1.00 0.00 N ATOM 433 CA THR A 32 -11.240 12.241 -1.525 1.00 0.00 C ATOM 434 C THR A 32 -11.809 10.849 -1.776 1.00 0.00 C ATOM 435 O THR A 32 -12.506 10.622 -2.766 1.00 0.00 O ATOM 436 CB THR A 32 -12.382 13.180 -1.094 1.00 0.00 C ATOM 437 OG1 THR A 32 -11.861 14.479 -0.793 1.00 0.00 O ATOM 438 CG2 THR A 32 -13.109 12.626 0.122 1.00 0.00 C ATOM 0 H THR A 32 -11.149 13.257 -3.355 1.00 0.00 H new ATOM 0 HA THR A 32 -10.501 12.189 -0.726 1.00 0.00 H new ATOM 0 HB THR A 32 -13.091 13.255 -1.918 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.594 15.070 -0.521 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.911 13.307 0.408 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.530 11.650 -0.119 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.408 12.524 0.950 1.00 0.00 H new ATOM 446 N PHE A 33 -11.509 9.920 -0.875 1.00 0.00 N ATOM 447 CA PHE A 33 -11.991 8.550 -1.000 1.00 0.00 C ATOM 448 C PHE A 33 -12.775 8.133 0.242 1.00 0.00 C ATOM 449 O PHE A 33 -12.219 7.550 1.172 1.00 0.00 O ATOM 450 CB PHE A 33 -10.818 7.592 -1.221 1.00 0.00 C ATOM 451 CG PHE A 33 -10.373 7.511 -2.653 1.00 0.00 C ATOM 452 CD1 PHE A 33 -11.049 6.708 -3.559 1.00 0.00 C ATOM 453 CD2 PHE A 33 -9.279 8.237 -3.095 1.00 0.00 C ATOM 454 CE1 PHE A 33 -10.641 6.631 -4.877 1.00 0.00 C ATOM 455 CE2 PHE A 33 -8.866 8.165 -4.412 1.00 0.00 C ATOM 456 CZ PHE A 33 -9.549 7.361 -5.304 1.00 0.00 C ATOM 0 H PHE A 33 -10.934 10.091 -0.050 1.00 0.00 H new ATOM 0 HA PHE A 33 -12.657 8.503 -1.862 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.977 7.911 -0.605 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.103 6.597 -0.880 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.904 6.136 -3.231 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.742 8.867 -2.402 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -11.175 6.001 -5.572 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.011 8.736 -4.743 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.229 7.303 -6.334 1.00 0.00 H new ATOM 466 N ARG A 34 -14.068 8.439 0.247 1.00 0.00 N ATOM 467 CA ARG A 34 -14.929 8.098 1.374 1.00 0.00 C ATOM 468 C ARG A 34 -15.381 6.643 1.293 1.00 0.00 C ATOM 469 O ARG A 34 -15.605 6.112 0.204 1.00 0.00 O ATOM 470 CB ARG A 34 -16.148 9.021 1.409 1.00 0.00 C ATOM 471 CG ARG A 34 -16.356 9.704 2.751 1.00 0.00 C ATOM 472 CD ARG A 34 -17.732 10.345 2.842 1.00 0.00 C ATOM 473 NE ARG A 34 -17.658 11.748 3.242 1.00 0.00 N ATOM 474 CZ ARG A 34 -17.318 12.730 2.415 1.00 0.00 C ATOM 475 NH1 ARG A 34 -17.024 12.465 1.150 1.00 0.00 N ATOM 476 NH2 ARG A 34 -17.273 13.982 2.853 1.00 0.00 N ATOM 0 H ARG A 34 -14.543 8.922 -0.516 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.355 8.231 2.291 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -16.039 9.782 0.636 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.039 8.442 1.163 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.239 8.976 3.553 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.589 10.464 2.896 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -18.231 10.270 1.876 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -18.341 9.795 3.560 1.00 0.00 H new ATOM 0 HE ARG A 34 -17.879 11.986 4.209 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -17.058 11.504 0.809 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -16.763 13.222 0.518 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -17.500 14.191 3.825 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -17.012 14.736 2.217 1.00 0.00 H new ATOM 490 N CYS A 35 -15.512 6.005 2.450 1.00 0.00 N ATOM 491 CA CYS A 35 -15.936 4.610 2.510 1.00 0.00 C ATOM 492 C CYS A 35 -16.372 4.235 3.923 1.00 0.00 C ATOM 493 O CYS A 35 -15.619 4.406 4.882 1.00 0.00 O ATOM 494 CB CYS A 35 -14.803 3.691 2.052 1.00 0.00 C ATOM 495 SG CYS A 35 -13.237 3.964 2.913 1.00 0.00 S ATOM 0 H CYS A 35 -15.331 6.430 3.359 1.00 0.00 H new ATOM 0 HA CYS A 35 -16.788 4.485 1.841 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -15.109 2.655 2.197 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -14.646 3.831 0.982 1.00 0.00 H new ATOM 0 HG CYS A 35 -13.206 5.176 3.383 1.00 0.00 H new ATOM 501 N ARG A 36 -17.593 3.725 4.044 1.00 0.00 N ATOM 502 CA ARG A 36 -18.131 3.328 5.340 1.00 0.00 C ATOM 503 C ARG A 36 -17.842 1.857 5.621 1.00 0.00 C ATOM 504 O ARG A 36 -18.252 0.978 4.862 1.00 0.00 O ATOM 505 CB ARG A 36 -19.639 3.582 5.389 1.00 0.00 C ATOM 506 CG ARG A 36 -20.168 3.837 6.791 1.00 0.00 C ATOM 507 CD ARG A 36 -21.688 3.813 6.826 1.00 0.00 C ATOM 508 NE ARG A 36 -22.210 4.131 8.153 1.00 0.00 N ATOM 509 CZ ARG A 36 -23.481 4.433 8.389 1.00 0.00 C ATOM 510 NH1 ARG A 36 -24.356 4.459 7.393 1.00 0.00 N ATOM 511 NH2 ARG A 36 -23.880 4.710 9.624 1.00 0.00 N ATOM 0 H ARG A 36 -18.229 3.577 3.260 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.643 3.929 6.108 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -19.875 4.440 4.759 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -20.158 2.722 4.965 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.775 3.082 7.472 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -19.810 4.803 7.146 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -22.079 4.528 6.102 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -22.042 2.827 6.524 1.00 0.00 H new ATOM 0 HE ARG A 36 -21.563 4.120 8.941 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -24.053 4.247 6.442 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -25.332 4.691 7.577 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -23.210 4.691 10.393 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -24.857 4.942 9.804 1.00 0.00 H new ATOM 525 N ILE A 37 -17.135 1.596 6.715 1.00 0.00 N ATOM 526 CA ILE A 37 -16.792 0.232 7.096 1.00 0.00 C ATOM 527 C ILE A 37 -17.054 -0.007 8.579 1.00 0.00 C ATOM 528 O ILE A 37 -16.680 0.806 9.424 1.00 0.00 O ATOM 529 CB ILE A 37 -15.316 -0.085 6.788 1.00 0.00 C ATOM 530 CG1 ILE A 37 -14.396 0.774 7.658 1.00 0.00 C ATOM 531 CG2 ILE A 37 -15.022 0.141 5.313 1.00 0.00 C ATOM 532 CD1 ILE A 37 -13.866 0.050 8.876 1.00 0.00 C ATOM 0 H ILE A 37 -16.788 2.312 7.354 1.00 0.00 H new ATOM 0 HA ILE A 37 -17.427 -0.429 6.507 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.129 -1.134 7.019 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.555 1.117 7.055 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -14.940 1.662 7.981 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.975 -0.087 5.111 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -15.657 -0.509 4.712 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -15.222 1.182 5.057 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.222 0.720 9.446 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.700 -0.269 9.501 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.294 -0.823 8.560 1.00 0.00 H new ATOM 544 N SER A 38 -17.696 -1.129 8.888 1.00 0.00 N ATOM 545 CA SER A 38 -18.009 -1.475 10.269 1.00 0.00 C ATOM 546 C SER A 38 -16.913 -2.348 10.873 1.00 0.00 C ATOM 547 O SER A 38 -16.215 -3.083 10.174 1.00 0.00 O ATOM 548 CB SER A 38 -19.354 -2.200 10.343 1.00 0.00 C ATOM 549 OG SER A 38 -19.356 -3.166 11.380 1.00 0.00 O ATOM 0 H SER A 38 -18.010 -1.814 8.200 1.00 0.00 H new ATOM 0 HA SER A 38 -18.070 -0.551 10.844 1.00 0.00 H new ATOM 0 HB2 SER A 38 -20.152 -1.477 10.514 1.00 0.00 H new ATOM 0 HB3 SER A 38 -19.562 -2.685 9.389 1.00 0.00 H new ATOM 0 HG SER A 38 -20.227 -3.614 11.408 1.00 0.00 H new ATOM 555 N PRO A 39 -16.758 -2.267 12.202 1.00 0.00 N ATOM 556 CA PRO A 39 -17.583 -1.395 13.044 1.00 0.00 C ATOM 557 C PRO A 39 -17.281 0.082 12.820 1.00 0.00 C ATOM 558 O PRO A 39 -16.343 0.432 12.104 1.00 0.00 O ATOM 559 CB PRO A 39 -17.201 -1.810 14.467 1.00 0.00 C ATOM 560 CG PRO A 39 -15.825 -2.369 14.341 1.00 0.00 C ATOM 561 CD PRO A 39 -15.765 -3.020 12.987 1.00 0.00 C ATOM 0 HA PRO A 39 -18.645 -1.504 12.825 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.222 -0.958 15.147 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.895 -2.551 14.863 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -15.075 -1.583 14.430 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.624 -3.092 15.131 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.769 -2.948 12.550 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.014 -4.080 13.039 1.00 0.00 H new ATOM 569 N ALA A 40 -18.080 0.946 13.438 1.00 0.00 N ATOM 570 CA ALA A 40 -17.896 2.386 13.307 1.00 0.00 C ATOM 571 C ALA A 40 -16.726 2.869 14.158 1.00 0.00 C ATOM 572 O ALA A 40 -16.376 4.048 14.137 1.00 0.00 O ATOM 573 CB ALA A 40 -19.171 3.119 13.695 1.00 0.00 C ATOM 0 H ALA A 40 -18.861 0.673 14.035 1.00 0.00 H new ATOM 0 HA ALA A 40 -17.668 2.605 12.264 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -19.019 4.193 13.592 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -19.985 2.804 13.042 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.424 2.886 14.729 1.00 0.00 H new ATOM 579 N ASN A 41 -16.127 1.949 14.908 1.00 0.00 N ATOM 580 CA ASN A 41 -14.997 2.282 15.768 1.00 0.00 C ATOM 581 C ASN A 41 -13.790 1.408 15.444 1.00 0.00 C ATOM 582 O ASN A 41 -13.017 1.044 16.330 1.00 0.00 O ATOM 583 CB ASN A 41 -15.382 2.114 17.239 1.00 0.00 C ATOM 584 CG ASN A 41 -16.307 3.214 17.725 1.00 0.00 C ATOM 585 OD1 ASN A 41 -15.866 4.182 18.343 1.00 0.00 O ATOM 586 ND2 ASN A 41 -17.597 3.068 17.446 1.00 0.00 N ATOM 0 H ASN A 41 -16.405 0.968 14.937 1.00 0.00 H new ATOM 0 HA ASN A 41 -14.729 3.323 15.586 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -15.868 1.148 17.376 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -14.479 2.107 17.849 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -18.267 3.776 17.747 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -17.918 2.248 16.931 1.00 0.00 H new ATOM 593 N TYR A 42 -13.634 1.075 14.167 1.00 0.00 N ATOM 594 CA TYR A 42 -12.522 0.242 13.725 1.00 0.00 C ATOM 595 C TYR A 42 -11.310 1.096 13.365 1.00 0.00 C ATOM 596 O TYR A 42 -11.427 2.085 12.642 1.00 0.00 O ATOM 597 CB TYR A 42 -12.938 -0.604 12.521 1.00 0.00 C ATOM 598 CG TYR A 42 -11.887 -1.600 12.088 1.00 0.00 C ATOM 599 CD1 TYR A 42 -10.774 -1.194 11.362 1.00 0.00 C ATOM 600 CD2 TYR A 42 -12.006 -2.948 12.403 1.00 0.00 C ATOM 601 CE1 TYR A 42 -9.810 -2.100 10.963 1.00 0.00 C ATOM 602 CE2 TYR A 42 -11.047 -3.861 12.010 1.00 0.00 C ATOM 603 CZ TYR A 42 -9.951 -3.433 11.290 1.00 0.00 C ATOM 604 OH TYR A 42 -8.995 -4.340 10.895 1.00 0.00 O ATOM 0 H TYR A 42 -14.264 1.369 13.420 1.00 0.00 H new ATOM 0 HA TYR A 42 -12.247 -0.418 14.548 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -13.856 -1.140 12.764 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -13.166 0.057 11.685 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.660 -0.151 11.105 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.863 -3.288 12.965 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -8.952 -1.767 10.399 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -11.155 -4.905 12.265 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.245 -5.235 11.207 1.00 0.00 H new ATOM 614 N GLU A 43 -10.146 0.707 13.876 1.00 0.00 N ATOM 615 CA GLU A 43 -8.913 1.437 13.609 1.00 0.00 C ATOM 616 C GLU A 43 -7.733 0.795 14.335 1.00 0.00 C ATOM 617 O GLU A 43 -7.897 0.051 15.302 1.00 0.00 O ATOM 618 CB GLU A 43 -9.056 2.898 14.038 1.00 0.00 C ATOM 619 CG GLU A 43 -9.922 3.089 15.272 1.00 0.00 C ATOM 620 CD GLU A 43 -9.711 4.438 15.930 1.00 0.00 C ATOM 621 OE1 GLU A 43 -8.669 4.617 16.596 1.00 0.00 O ATOM 622 OE2 GLU A 43 -10.586 5.315 15.780 1.00 0.00 O ATOM 0 H GLU A 43 -10.031 -0.109 14.477 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.723 1.398 12.536 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.065 3.309 14.233 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.482 3.470 13.214 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.971 2.984 14.995 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.702 2.300 15.991 1.00 0.00 H new ATOM 629 N PRO A 44 -6.515 1.090 13.858 1.00 0.00 N ATOM 630 CA PRO A 44 -6.307 1.974 12.707 1.00 0.00 C ATOM 631 C PRO A 44 -6.774 1.344 11.400 1.00 0.00 C ATOM 632 O PRO A 44 -7.206 0.191 11.374 1.00 0.00 O ATOM 633 CB PRO A 44 -4.791 2.183 12.689 1.00 0.00 C ATOM 634 CG PRO A 44 -4.235 0.977 13.364 1.00 0.00 C ATOM 635 CD PRO A 44 -5.245 0.582 14.405 1.00 0.00 C ATOM 0 HA PRO A 44 -6.877 2.899 12.796 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.416 2.275 11.670 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.511 3.096 13.215 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.075 0.169 12.650 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.270 1.196 13.820 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.273 -0.498 14.549 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -5.018 1.027 15.374 1.00 0.00 H new ATOM 643 N VAL A 45 -6.684 2.106 10.315 1.00 0.00 N ATOM 644 CA VAL A 45 -7.095 1.621 9.003 1.00 0.00 C ATOM 645 C VAL A 45 -5.932 1.645 8.018 1.00 0.00 C ATOM 646 O VAL A 45 -5.054 2.506 8.098 1.00 0.00 O ATOM 647 CB VAL A 45 -8.254 2.461 8.432 1.00 0.00 C ATOM 648 CG1 VAL A 45 -9.553 2.137 9.153 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.935 3.945 8.532 1.00 0.00 C ATOM 0 H VAL A 45 -6.330 3.063 10.319 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.432 0.593 9.137 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.378 2.209 7.379 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.360 2.739 8.737 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.786 1.080 9.025 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.445 2.359 10.215 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.764 4.524 8.124 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.783 4.215 9.577 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.029 4.161 7.966 1.00 0.00 H new ATOM 659 N HIS A 46 -5.931 0.695 7.089 1.00 0.00 N ATOM 660 CA HIS A 46 -4.875 0.608 6.086 1.00 0.00 C ATOM 661 C HIS A 46 -5.385 1.053 4.719 1.00 0.00 C ATOM 662 O HIS A 46 -6.546 0.829 4.376 1.00 0.00 O ATOM 663 CB HIS A 46 -4.339 -0.822 6.003 1.00 0.00 C ATOM 664 CG HIS A 46 -3.937 -1.389 7.329 1.00 0.00 C ATOM 665 ND1 HIS A 46 -3.268 -0.658 8.289 1.00 0.00 N ATOM 666 CD2 HIS A 46 -4.114 -2.624 7.855 1.00 0.00 C ATOM 667 CE1 HIS A 46 -3.050 -1.420 9.346 1.00 0.00 C ATOM 668 NE2 HIS A 46 -3.554 -2.617 9.108 1.00 0.00 N ATOM 0 H HIS A 46 -6.649 -0.025 7.009 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.067 1.275 6.386 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.102 -1.462 5.560 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.479 -0.841 5.333 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.605 -3.459 7.377 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.545 -1.116 10.251 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.531 -3.408 9.751 1.00 0.00 H new ATOM 676 N TRP A 47 -4.511 1.685 3.944 1.00 0.00 N ATOM 677 CA TRP A 47 -4.874 2.162 2.614 1.00 0.00 C ATOM 678 C TRP A 47 -3.768 1.864 1.608 1.00 0.00 C ATOM 679 O TRP A 47 -2.599 2.161 1.850 1.00 0.00 O ATOM 680 CB TRP A 47 -5.158 3.664 2.649 1.00 0.00 C ATOM 681 CG TRP A 47 -6.388 4.019 3.429 1.00 0.00 C ATOM 682 CD1 TRP A 47 -6.554 3.933 4.781 1.00 0.00 C ATOM 683 CD2 TRP A 47 -7.623 4.514 2.901 1.00 0.00 C ATOM 684 NE1 TRP A 47 -7.818 4.345 5.127 1.00 0.00 N ATOM 685 CE2 TRP A 47 -8.494 4.707 3.992 1.00 0.00 C ATOM 686 CE3 TRP A 47 -8.078 4.815 1.615 1.00 0.00 C ATOM 687 CZ2 TRP A 47 -9.792 5.186 3.832 1.00 0.00 C ATOM 688 CZ3 TRP A 47 -9.366 5.290 1.458 1.00 0.00 C ATOM 689 CH2 TRP A 47 -10.211 5.472 2.561 1.00 0.00 C ATOM 0 H TRP A 47 -3.546 1.879 4.213 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.776 1.636 2.300 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.301 4.178 3.083 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -5.266 4.030 1.628 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.802 3.591 5.477 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.192 4.376 6.075 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.434 4.679 0.759 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -10.445 5.327 4.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -9.728 5.525 0.468 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -11.212 5.845 2.405 1.00 0.00 H new ATOM 700 N PHE A 48 -4.146 1.274 0.478 1.00 0.00 N ATOM 701 CA PHE A 48 -3.185 0.935 -0.565 1.00 0.00 C ATOM 702 C PHE A 48 -3.642 1.468 -1.920 1.00 0.00 C ATOM 703 O PHE A 48 -4.811 1.810 -2.103 1.00 0.00 O ATOM 704 CB PHE A 48 -2.994 -0.581 -0.639 1.00 0.00 C ATOM 705 CG PHE A 48 -2.523 -1.189 0.651 1.00 0.00 C ATOM 706 CD1 PHE A 48 -3.421 -1.473 1.667 1.00 0.00 C ATOM 707 CD2 PHE A 48 -1.182 -1.477 0.849 1.00 0.00 C ATOM 708 CE1 PHE A 48 -2.992 -2.033 2.856 1.00 0.00 C ATOM 709 CE2 PHE A 48 -0.746 -2.037 2.035 1.00 0.00 C ATOM 710 CZ PHE A 48 -1.652 -2.315 3.040 1.00 0.00 C ATOM 0 H PHE A 48 -5.110 1.021 0.262 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.233 1.402 -0.313 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.938 -1.045 -0.927 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.274 -0.811 -1.424 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.469 -1.254 1.528 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.469 -1.261 0.067 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.703 -2.250 3.640 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.302 -2.257 2.176 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.314 -2.752 3.968 1.00 0.00 H new ATOM 720 N LEU A 49 -2.712 1.536 -2.866 1.00 0.00 N ATOM 721 CA LEU A 49 -3.018 2.028 -4.205 1.00 0.00 C ATOM 722 C LEU A 49 -2.279 1.217 -5.265 1.00 0.00 C ATOM 723 O LEU A 49 -1.069 1.364 -5.442 1.00 0.00 O ATOM 724 CB LEU A 49 -2.644 3.506 -4.325 1.00 0.00 C ATOM 725 CG LEU A 49 -2.933 4.164 -5.675 1.00 0.00 C ATOM 726 CD1 LEU A 49 -1.759 3.978 -6.622 1.00 0.00 C ATOM 727 CD2 LEU A 49 -4.207 3.596 -6.283 1.00 0.00 C ATOM 0 H LEU A 49 -1.740 1.257 -2.731 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.090 1.917 -4.370 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.178 4.059 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.580 3.609 -4.113 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.076 5.232 -5.513 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.983 4.453 -7.577 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.868 4.434 -6.191 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.583 2.914 -6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.397 4.076 -7.243 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.093 2.522 -6.430 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.045 3.783 -5.612 1.00 0.00 H new ATOM 739 N ASP A 50 -3.014 0.363 -5.968 1.00 0.00 N ATOM 740 CA ASP A 50 -2.429 -0.469 -7.014 1.00 0.00 C ATOM 741 C ASP A 50 -1.483 -1.506 -6.417 1.00 0.00 C ATOM 742 O ASP A 50 -1.835 -2.678 -6.281 1.00 0.00 O ATOM 743 CB ASP A 50 -1.681 0.398 -8.027 1.00 0.00 C ATOM 744 CG ASP A 50 -2.379 0.450 -9.372 1.00 0.00 C ATOM 745 OD1 ASP A 50 -3.627 0.414 -9.394 1.00 0.00 O ATOM 746 OD2 ASP A 50 -1.678 0.525 -10.402 1.00 0.00 O ATOM 0 H ASP A 50 -4.016 0.228 -5.833 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.239 -0.992 -7.523 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.583 1.409 -7.633 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.672 0.008 -8.160 1.00 0.00 H new ATOM 751 N LYS A 51 -0.280 -1.067 -6.062 1.00 0.00 N ATOM 752 CA LYS A 51 0.718 -1.956 -5.480 1.00 0.00 C ATOM 753 C LYS A 51 1.678 -1.182 -4.582 1.00 0.00 C ATOM 754 O LYS A 51 2.887 -1.421 -4.595 1.00 0.00 O ATOM 755 CB LYS A 51 1.500 -2.672 -6.584 1.00 0.00 C ATOM 756 CG LYS A 51 1.806 -1.790 -7.782 1.00 0.00 C ATOM 757 CD LYS A 51 2.953 -0.837 -7.495 1.00 0.00 C ATOM 758 CE LYS A 51 4.266 -1.583 -7.312 1.00 0.00 C ATOM 759 NZ LYS A 51 5.441 -0.722 -7.621 1.00 0.00 N ATOM 0 H LYS A 51 0.027 -0.100 -6.167 1.00 0.00 H new ATOM 0 HA LYS A 51 0.198 -2.697 -4.873 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.436 -3.046 -6.170 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.930 -3.539 -6.918 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.057 -2.414 -8.640 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.917 -1.220 -8.052 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.049 -0.125 -8.315 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.732 -0.261 -6.596 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.339 -1.943 -6.286 1.00 0.00 H new ATOM 0 HE3 LYS A 51 4.278 -2.460 -7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 6.316 -1.267 -7.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.385 -0.399 -8.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.444 0.102 -6.987 1.00 0.00 H new ATOM 773 N THR A 52 1.134 -0.254 -3.802 1.00 0.00 N ATOM 774 CA THR A 52 1.942 0.555 -2.898 1.00 0.00 C ATOM 775 C THR A 52 1.128 1.011 -1.692 1.00 0.00 C ATOM 776 O THR A 52 0.004 1.497 -1.820 1.00 0.00 O ATOM 777 CB THR A 52 2.516 1.792 -3.613 1.00 0.00 C ATOM 778 OG1 THR A 52 3.200 1.395 -4.806 1.00 0.00 O ATOM 779 CG2 THR A 52 3.473 2.548 -2.702 1.00 0.00 C ATOM 0 H THR A 52 0.136 -0.044 -3.778 1.00 0.00 H new ATOM 0 HA THR A 52 2.765 -0.075 -2.560 1.00 0.00 H new ATOM 0 HB THR A 52 1.688 2.451 -3.872 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.561 2.188 -5.255 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.866 3.418 -3.229 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.942 2.874 -1.808 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.297 1.894 -2.417 1.00 0.00 H new ATOM 787 N PRO A 53 1.706 0.852 -0.493 1.00 0.00 N ATOM 788 CA PRO A 53 1.052 1.243 0.760 1.00 0.00 C ATOM 789 C PRO A 53 0.937 2.757 0.906 1.00 0.00 C ATOM 790 O PRO A 53 1.741 3.507 0.350 1.00 0.00 O ATOM 791 CB PRO A 53 1.976 0.670 1.837 1.00 0.00 C ATOM 792 CG PRO A 53 3.312 0.582 1.182 1.00 0.00 C ATOM 793 CD PRO A 53 3.044 0.279 -0.266 1.00 0.00 C ATOM 0 HA PRO A 53 0.028 0.874 0.818 1.00 0.00 H new ATOM 0 HB2 PRO A 53 2.007 1.314 2.716 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.634 -0.309 2.172 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.862 1.517 1.290 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.920 -0.199 1.638 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.791 0.733 -0.917 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.060 -0.793 -0.462 1.00 0.00 H new ATOM 801 N LEU A 54 -0.065 3.199 1.657 1.00 0.00 N ATOM 802 CA LEU A 54 -0.284 4.625 1.877 1.00 0.00 C ATOM 803 C LEU A 54 -0.420 4.931 3.365 1.00 0.00 C ATOM 804 O LEU A 54 -1.169 4.267 4.081 1.00 0.00 O ATOM 805 CB LEU A 54 -1.537 5.089 1.133 1.00 0.00 C ATOM 806 CG LEU A 54 -1.493 4.978 -0.391 1.00 0.00 C ATOM 807 CD1 LEU A 54 -2.887 4.743 -0.951 1.00 0.00 C ATOM 808 CD2 LEU A 54 -0.876 6.229 -1.000 1.00 0.00 C ATOM 0 H LEU A 54 -0.739 2.592 2.124 1.00 0.00 H new ATOM 0 HA LEU A 54 0.581 5.165 1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.386 4.509 1.495 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.727 6.130 1.396 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.869 4.124 -0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.835 4.667 -2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.292 3.818 -0.541 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.535 5.576 -0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.853 6.132 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.472 7.099 -0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.140 6.353 -0.625 1.00 0.00 H new ATOM 820 N HIS A 55 0.309 5.944 3.824 1.00 0.00 N ATOM 821 CA HIS A 55 0.268 6.341 5.227 1.00 0.00 C ATOM 822 C HIS A 55 0.137 7.855 5.360 1.00 0.00 C ATOM 823 O HIS A 55 0.659 8.607 4.538 1.00 0.00 O ATOM 824 CB HIS A 55 1.526 5.861 5.952 1.00 0.00 C ATOM 825 CG HIS A 55 1.867 4.429 5.675 1.00 0.00 C ATOM 826 ND1 HIS A 55 1.160 3.371 6.206 1.00 0.00 N ATOM 827 CD2 HIS A 55 2.846 3.883 4.917 1.00 0.00 C ATOM 828 CE1 HIS A 55 1.690 2.236 5.788 1.00 0.00 C ATOM 829 NE2 HIS A 55 2.715 2.518 5.004 1.00 0.00 N ATOM 0 H HIS A 55 0.935 6.504 3.245 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.606 5.877 5.685 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.367 6.490 5.658 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.389 5.992 7.025 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.591 4.420 4.349 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.344 1.245 6.044 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.312 1.834 4.539 1.00 0.00 H new ATOM 837 N ALA A 56 -0.565 8.295 6.399 1.00 0.00 N ATOM 838 CA ALA A 56 -0.763 9.719 6.640 1.00 0.00 C ATOM 839 C ALA A 56 0.570 10.456 6.702 1.00 0.00 C ATOM 840 O ALA A 56 1.487 10.042 7.409 1.00 0.00 O ATOM 841 CB ALA A 56 -1.547 9.932 7.926 1.00 0.00 C ATOM 0 H ALA A 56 -1.006 7.685 7.088 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.335 10.127 5.807 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.688 11.000 8.094 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.519 9.446 7.844 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.997 9.503 8.763 1.00 0.00 H new ATOM 847 N ASN A 57 0.671 11.551 5.955 1.00 0.00 N ATOM 848 CA ASN A 57 1.893 12.346 5.925 1.00 0.00 C ATOM 849 C ASN A 57 1.594 13.789 5.530 1.00 0.00 C ATOM 850 O ASN A 57 0.434 14.179 5.399 1.00 0.00 O ATOM 851 CB ASN A 57 2.899 11.735 4.946 1.00 0.00 C ATOM 852 CG ASN A 57 3.419 10.391 5.416 1.00 0.00 C ATOM 853 OD1 ASN A 57 3.928 10.264 6.530 1.00 0.00 O ATOM 854 ND2 ASN A 57 3.293 9.378 4.566 1.00 0.00 N ATOM 0 H ASN A 57 -0.079 11.908 5.363 1.00 0.00 H new ATOM 0 HA ASN A 57 2.323 12.344 6.927 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.427 11.618 3.970 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.737 12.420 4.815 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.625 8.449 4.827 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.865 9.529 3.653 1.00 0.00 H new ATOM 861 N GLU A 58 2.649 14.576 5.341 1.00 0.00 N ATOM 862 CA GLU A 58 2.499 15.976 4.961 1.00 0.00 C ATOM 863 C GLU A 58 1.612 16.112 3.726 1.00 0.00 C ATOM 864 O GLU A 58 0.969 17.142 3.521 1.00 0.00 O ATOM 865 CB GLU A 58 3.868 16.604 4.692 1.00 0.00 C ATOM 866 CG GLU A 58 3.790 17.995 4.087 1.00 0.00 C ATOM 867 CD GLU A 58 4.745 18.972 4.745 1.00 0.00 C ATOM 868 OE1 GLU A 58 5.773 18.519 5.290 1.00 0.00 O ATOM 869 OE2 GLU A 58 4.464 20.188 4.716 1.00 0.00 O ATOM 0 H GLU A 58 3.616 14.268 5.445 1.00 0.00 H new ATOM 0 HA GLU A 58 2.023 16.502 5.789 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.426 16.654 5.627 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.430 15.956 4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.013 17.937 3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.771 18.371 4.179 1.00 0.00 H new ATOM 876 N LEU A 59 1.584 15.067 2.908 1.00 0.00 N ATOM 877 CA LEU A 59 0.777 15.069 1.692 1.00 0.00 C ATOM 878 C LEU A 59 -0.429 14.147 1.838 1.00 0.00 C ATOM 879 O LEU A 59 -1.534 14.484 1.415 1.00 0.00 O ATOM 880 CB LEU A 59 1.624 14.634 0.494 1.00 0.00 C ATOM 881 CG LEU A 59 2.962 15.354 0.321 1.00 0.00 C ATOM 882 CD1 LEU A 59 3.789 14.688 -0.768 1.00 0.00 C ATOM 883 CD2 LEU A 59 2.739 16.824 0.001 1.00 0.00 C ATOM 0 H LEU A 59 2.110 14.207 3.064 1.00 0.00 H new ATOM 0 HA LEU A 59 0.417 16.084 1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.818 13.565 0.581 1.00 0.00 H new ATOM 0 HB3 LEU A 59 1.036 14.779 -0.413 1.00 0.00 H new ATOM 0 HG LEU A 59 3.513 15.287 1.259 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.738 15.214 -0.877 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.979 13.649 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.244 14.723 -1.711 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.702 17.320 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.168 16.913 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.187 17.294 0.815 1.00 0.00 H new ATOM 895 N ASN A 60 -0.209 12.983 2.441 1.00 0.00 N ATOM 896 CA ASN A 60 -1.279 12.014 2.645 1.00 0.00 C ATOM 897 C ASN A 60 -2.183 12.435 3.800 1.00 0.00 C ATOM 898 O ASN A 60 -1.704 12.822 4.865 1.00 0.00 O ATOM 899 CB ASN A 60 -0.694 10.627 2.920 1.00 0.00 C ATOM 900 CG ASN A 60 0.420 10.269 1.955 1.00 0.00 C ATOM 901 OD1 ASN A 60 1.498 10.863 1.986 1.00 0.00 O ATOM 902 ND2 ASN A 60 0.164 9.292 1.092 1.00 0.00 N ATOM 0 H ASN A 60 0.700 12.688 2.797 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.877 11.975 1.735 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.313 10.592 3.940 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.486 9.881 2.850 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.875 9.007 0.419 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.744 8.827 1.102 1.00 0.00 H new ATOM 909 N GLU A 61 -3.491 12.355 3.580 1.00 0.00 N ATOM 910 CA GLU A 61 -4.461 12.728 4.603 1.00 0.00 C ATOM 911 C GLU A 61 -5.439 11.586 4.868 1.00 0.00 C ATOM 912 O GLU A 61 -6.034 11.037 3.941 1.00 0.00 O ATOM 913 CB GLU A 61 -5.228 13.982 4.178 1.00 0.00 C ATOM 914 CG GLU A 61 -5.343 15.027 5.275 1.00 0.00 C ATOM 915 CD GLU A 61 -4.981 16.419 4.795 1.00 0.00 C ATOM 916 OE1 GLU A 61 -5.737 16.977 3.972 1.00 0.00 O ATOM 917 OE2 GLU A 61 -3.943 16.950 5.241 1.00 0.00 O ATOM 0 H GLU A 61 -3.903 12.036 2.703 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.916 12.939 5.523 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.731 14.426 3.315 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.229 13.694 3.856 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.363 15.033 5.660 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.691 14.752 6.104 1.00 0.00 H new ATOM 924 N ILE A 62 -5.598 11.235 6.140 1.00 0.00 N ATOM 925 CA ILE A 62 -6.502 10.160 6.527 1.00 0.00 C ATOM 926 C ILE A 62 -7.356 10.564 7.724 1.00 0.00 C ATOM 927 O ILE A 62 -6.897 10.534 8.866 1.00 0.00 O ATOM 928 CB ILE A 62 -5.731 8.872 6.873 1.00 0.00 C ATOM 929 CG1 ILE A 62 -4.967 8.365 5.648 1.00 0.00 C ATOM 930 CG2 ILE A 62 -6.686 7.805 7.387 1.00 0.00 C ATOM 931 CD1 ILE A 62 -3.567 7.886 5.965 1.00 0.00 C ATOM 0 H ILE A 62 -5.113 11.680 6.919 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.148 9.968 5.670 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.011 9.097 7.660 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.527 7.548 5.193 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -4.910 9.164 4.909 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.126 6.901 7.627 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -7.190 8.169 8.283 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.427 7.580 6.620 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.085 7.541 5.050 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.990 8.706 6.393 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.617 7.065 6.681 1.00 0.00 H new ATOM 943 N ASP A 63 -8.601 10.942 7.455 1.00 0.00 N ATOM 944 CA ASP A 63 -9.521 11.350 8.510 1.00 0.00 C ATOM 945 C ASP A 63 -10.322 10.157 9.024 1.00 0.00 C ATOM 946 O ASP A 63 -10.102 9.022 8.604 1.00 0.00 O ATOM 947 CB ASP A 63 -10.470 12.434 7.997 1.00 0.00 C ATOM 948 CG ASP A 63 -10.296 13.750 8.730 1.00 0.00 C ATOM 949 OD1 ASP A 63 -9.165 14.036 9.175 1.00 0.00 O ATOM 950 OD2 ASP A 63 -11.290 14.494 8.857 1.00 0.00 O ATOM 0 H ASP A 63 -8.996 10.974 6.515 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.933 11.753 9.335 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.298 12.589 6.932 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.500 12.093 8.107 1.00 0.00 H new ATOM 955 N ALA A 64 -11.251 10.424 9.936 1.00 0.00 N ATOM 956 CA ALA A 64 -12.085 9.373 10.506 1.00 0.00 C ATOM 957 C ALA A 64 -13.454 9.914 10.905 1.00 0.00 C ATOM 958 O ALA A 64 -13.793 9.961 12.087 1.00 0.00 O ATOM 959 CB ALA A 64 -11.394 8.745 11.708 1.00 0.00 C ATOM 0 H ALA A 64 -11.445 11.359 10.296 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.233 8.608 9.744 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.028 7.962 12.124 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.442 8.314 11.397 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.216 9.508 12.465 1.00 0.00 H new ATOM 965 N GLN A 65 -14.236 10.322 9.910 1.00 0.00 N ATOM 966 CA GLN A 65 -15.568 10.861 10.158 1.00 0.00 C ATOM 967 C GLN A 65 -16.381 9.919 11.039 1.00 0.00 C ATOM 968 O GLN A 65 -16.078 8.732 11.167 1.00 0.00 O ATOM 969 CB GLN A 65 -16.299 11.101 8.836 1.00 0.00 C ATOM 970 CG GLN A 65 -16.089 12.496 8.269 1.00 0.00 C ATOM 971 CD GLN A 65 -16.554 12.617 6.831 1.00 0.00 C ATOM 972 OE1 GLN A 65 -17.425 11.871 6.383 1.00 0.00 O ATOM 973 NE2 GLN A 65 -15.973 13.561 6.099 1.00 0.00 N ATOM 0 H GLN A 65 -13.970 10.289 8.926 1.00 0.00 H new ATOM 0 HA GLN A 65 -15.456 11.811 10.680 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.961 10.366 8.105 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -17.366 10.935 8.985 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -16.627 13.218 8.883 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -15.031 12.753 8.328 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.255 14.157 6.512 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.245 13.690 5.124 1.00 0.00 H new ATOM 982 N PRO A 66 -17.440 10.457 11.662 1.00 0.00 N ATOM 983 CA PRO A 66 -18.320 9.681 12.542 1.00 0.00 C ATOM 984 C PRO A 66 -19.162 8.669 11.773 1.00 0.00 C ATOM 985 O PRO A 66 -19.796 9.006 10.774 1.00 0.00 O ATOM 986 CB PRO A 66 -19.214 10.747 13.180 1.00 0.00 C ATOM 987 CG PRO A 66 -19.219 11.871 12.202 1.00 0.00 C ATOM 988 CD PRO A 66 -17.861 11.864 11.556 1.00 0.00 C ATOM 0 HA PRO A 66 -17.756 9.091 13.264 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.221 10.368 13.352 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.823 11.065 14.147 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -20.005 11.738 11.459 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.409 12.821 12.701 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.908 12.192 10.518 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -17.168 12.531 12.070 1.00 0.00 H new ATOM 996 N GLY A 67 -19.165 7.426 12.246 1.00 0.00 N ATOM 997 CA GLY A 67 -19.934 6.385 11.591 1.00 0.00 C ATOM 998 C GLY A 67 -19.076 5.497 10.712 1.00 0.00 C ATOM 999 O GLY A 67 -19.514 5.052 9.651 1.00 0.00 O ATOM 0 H GLY A 67 -18.648 7.122 13.071 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.430 5.774 12.346 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.717 6.842 10.986 1.00 0.00 H new ATOM 1003 N GLY A 68 -17.848 5.239 11.152 1.00 0.00 N ATOM 1004 CA GLY A 68 -16.945 4.401 10.385 1.00 0.00 C ATOM 1005 C GLY A 68 -16.681 4.952 8.997 1.00 0.00 C ATOM 1006 O GLY A 68 -16.472 4.194 8.050 1.00 0.00 O ATOM 0 H GLY A 68 -17.462 5.596 12.026 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.000 4.305 10.920 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.367 3.399 10.301 1.00 0.00 H new ATOM 1010 N TYR A 69 -16.693 6.275 8.876 1.00 0.00 N ATOM 1011 CA TYR A 69 -16.458 6.927 7.593 1.00 0.00 C ATOM 1012 C TYR A 69 -15.005 7.377 7.469 1.00 0.00 C ATOM 1013 O TYR A 69 -14.657 8.499 7.838 1.00 0.00 O ATOM 1014 CB TYR A 69 -17.391 8.127 7.428 1.00 0.00 C ATOM 1015 CG TYR A 69 -18.780 7.754 6.962 1.00 0.00 C ATOM 1016 CD1 TYR A 69 -19.080 7.665 5.608 1.00 0.00 C ATOM 1017 CD2 TYR A 69 -19.794 7.491 7.875 1.00 0.00 C ATOM 1018 CE1 TYR A 69 -20.348 7.325 5.177 1.00 0.00 C ATOM 1019 CE2 TYR A 69 -21.064 7.149 7.453 1.00 0.00 C ATOM 1020 CZ TYR A 69 -21.336 7.068 6.104 1.00 0.00 C ATOM 1021 OH TYR A 69 -22.601 6.729 5.680 1.00 0.00 O ATOM 0 H TYR A 69 -16.863 6.917 9.650 1.00 0.00 H new ATOM 0 HA TYR A 69 -16.664 6.204 6.804 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -17.465 8.653 8.380 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -16.952 8.823 6.713 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -18.308 7.865 4.880 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -19.586 7.555 8.933 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -20.564 7.261 4.121 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -21.840 6.946 8.176 1.00 0.00 H new ATOM 0 HH TYR A 69 -22.676 6.887 4.716 1.00 0.00 H new ATOM 1031 N HIS A 70 -14.161 6.493 6.947 1.00 0.00 N ATOM 1032 CA HIS A 70 -12.745 6.799 6.773 1.00 0.00 C ATOM 1033 C HIS A 70 -12.503 7.515 5.448 1.00 0.00 C ATOM 1034 O HIS A 70 -12.641 6.924 4.377 1.00 0.00 O ATOM 1035 CB HIS A 70 -11.914 5.517 6.832 1.00 0.00 C ATOM 1036 CG HIS A 70 -12.004 4.805 8.147 1.00 0.00 C ATOM 1037 ND1 HIS A 70 -11.292 5.191 9.262 1.00 0.00 N ATOM 1038 CD2 HIS A 70 -12.731 3.726 8.521 1.00 0.00 C ATOM 1039 CE1 HIS A 70 -11.575 4.379 10.265 1.00 0.00 C ATOM 1040 NE2 HIS A 70 -12.446 3.481 9.841 1.00 0.00 N ATOM 0 H HIS A 70 -14.432 5.560 6.637 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.439 7.460 7.584 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.243 4.844 6.040 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.871 5.760 6.631 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -13.409 3.163 7.897 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.164 4.439 11.262 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -12.842 2.728 10.403 1.00 0.00 H new ATOM 1048 N VAL A 71 -12.143 8.792 5.528 1.00 0.00 N ATOM 1049 CA VAL A 71 -11.881 9.589 4.335 1.00 0.00 C ATOM 1050 C VAL A 71 -10.384 9.728 4.085 1.00 0.00 C ATOM 1051 O VAL A 71 -9.607 9.958 5.012 1.00 0.00 O ATOM 1052 CB VAL A 71 -12.504 10.993 4.451 1.00 0.00 C ATOM 1053 CG1 VAL A 71 -12.395 11.736 3.128 1.00 0.00 C ATOM 1054 CG2 VAL A 71 -13.954 10.897 4.900 1.00 0.00 C ATOM 0 H VAL A 71 -12.026 9.297 6.406 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.339 9.064 3.496 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.951 11.556 5.203 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.840 12.726 3.229 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.345 11.837 2.853 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.921 11.179 2.353 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.378 11.898 4.977 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.522 10.317 4.173 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -14.002 10.407 5.873 1.00 0.00 H new ATOM 1064 N LEU A 72 -9.985 9.589 2.825 1.00 0.00 N ATOM 1065 CA LEU A 72 -8.579 9.699 2.451 1.00 0.00 C ATOM 1066 C LEU A 72 -8.373 10.820 1.437 1.00 0.00 C ATOM 1067 O LEU A 72 -8.908 10.776 0.328 1.00 0.00 O ATOM 1068 CB LEU A 72 -8.079 8.374 1.874 1.00 0.00 C ATOM 1069 CG LEU A 72 -6.650 8.376 1.329 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -5.664 7.976 2.416 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -6.534 7.444 0.132 1.00 0.00 C ATOM 0 H LEU A 72 -10.615 9.400 2.045 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.006 9.935 3.348 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.149 7.613 2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.752 8.073 1.071 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.408 9.387 1.001 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.652 7.983 2.010 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.728 8.683 3.243 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.904 6.975 2.775 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.510 7.458 -0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.796 6.430 0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.213 7.775 -0.654 1.00 0.00 H new ATOM 1083 N THR A 73 -7.590 11.823 1.822 1.00 0.00 N ATOM 1084 CA THR A 73 -7.311 12.954 0.946 1.00 0.00 C ATOM 1085 C THR A 73 -5.849 12.968 0.515 1.00 0.00 C ATOM 1086 O THR A 73 -5.005 13.583 1.168 1.00 0.00 O ATOM 1087 CB THR A 73 -7.645 14.292 1.633 1.00 0.00 C ATOM 1088 OG1 THR A 73 -8.747 14.120 2.532 1.00 0.00 O ATOM 1089 CG2 THR A 73 -7.987 15.358 0.603 1.00 0.00 C ATOM 0 H THR A 73 -7.138 11.875 2.735 1.00 0.00 H new ATOM 0 HA THR A 73 -7.945 12.837 0.067 1.00 0.00 H new ATOM 0 HB THR A 73 -6.768 14.617 2.192 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.952 14.975 2.966 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.219 16.294 1.111 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.136 15.508 -0.062 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.851 15.037 0.021 1.00 0.00 H new ATOM 1097 N LEU A 74 -5.556 12.289 -0.588 1.00 0.00 N ATOM 1098 CA LEU A 74 -4.195 12.224 -1.108 1.00 0.00 C ATOM 1099 C LEU A 74 -3.800 13.542 -1.767 1.00 0.00 C ATOM 1100 O LEU A 74 -4.044 13.750 -2.955 1.00 0.00 O ATOM 1101 CB LEU A 74 -4.065 11.079 -2.114 1.00 0.00 C ATOM 1102 CG LEU A 74 -3.832 9.689 -1.521 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -4.250 8.611 -2.509 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.373 9.515 -1.126 1.00 0.00 C ATOM 0 H LEU A 74 -6.243 11.775 -1.140 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.522 12.041 -0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.972 11.047 -2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.240 11.307 -2.789 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.445 9.590 -0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.077 7.628 -2.070 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.309 8.723 -2.743 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.664 8.708 -3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.226 8.520 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.741 9.634 -2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.105 10.266 -0.383 1.00 0.00 H new ATOM 1116 N ARG A 75 -3.187 14.427 -0.988 1.00 0.00 N ATOM 1117 CA ARG A 75 -2.758 15.724 -1.496 1.00 0.00 C ATOM 1118 C ARG A 75 -1.483 15.589 -2.324 1.00 0.00 C ATOM 1119 O ARG A 75 -0.653 14.718 -2.065 1.00 0.00 O ATOM 1120 CB ARG A 75 -2.525 16.698 -0.339 1.00 0.00 C ATOM 1121 CG ARG A 75 -3.632 16.681 0.702 1.00 0.00 C ATOM 1122 CD ARG A 75 -3.477 17.820 1.699 1.00 0.00 C ATOM 1123 NE ARG A 75 -4.098 19.053 1.222 1.00 0.00 N ATOM 1124 CZ ARG A 75 -3.863 20.247 1.754 1.00 0.00 C ATOM 1125 NH1 ARG A 75 -3.024 20.369 2.773 1.00 0.00 N ATOM 1126 NH2 ARG A 75 -4.467 21.323 1.265 1.00 0.00 N ATOM 0 H ARG A 75 -2.976 14.269 -0.003 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.549 16.114 -2.137 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.579 16.455 0.145 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.429 17.708 -0.739 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.600 16.759 0.207 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.620 15.728 1.232 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.925 17.533 2.650 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.418 17.996 1.886 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.747 18.994 0.438 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.557 19.545 3.151 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.845 21.287 3.180 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.112 21.233 0.480 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.286 22.240 1.674 1.00 0.00 H new ATOM 1140 N GLN A 76 -1.337 16.455 -3.321 1.00 0.00 N ATOM 1141 CA GLN A 76 -0.164 16.431 -4.188 1.00 0.00 C ATOM 1142 C GLN A 76 0.018 15.054 -4.818 1.00 0.00 C ATOM 1143 O GLN A 76 1.014 14.373 -4.572 1.00 0.00 O ATOM 1144 CB GLN A 76 1.088 16.812 -3.398 1.00 0.00 C ATOM 1145 CG GLN A 76 0.959 18.131 -2.652 1.00 0.00 C ATOM 1146 CD GLN A 76 2.260 18.908 -2.611 1.00 0.00 C ATOM 1147 OE1 GLN A 76 2.735 19.290 -1.542 1.00 0.00 O ATOM 1148 NE2 GLN A 76 2.844 19.147 -3.780 1.00 0.00 N ATOM 0 H GLN A 76 -2.015 17.182 -3.549 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.317 17.159 -4.985 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.311 16.020 -2.683 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.935 16.872 -4.082 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.191 18.740 -3.129 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.624 17.937 -1.633 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.415 18.812 -4.642 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.721 19.666 -3.815 1.00 0.00 H new ATOM 1157 N LEU A 77 -0.950 14.649 -5.633 1.00 0.00 N ATOM 1158 CA LEU A 77 -0.897 13.353 -6.300 1.00 0.00 C ATOM 1159 C LEU A 77 -0.092 13.437 -7.592 1.00 0.00 C ATOM 1160 O LEU A 77 0.407 14.502 -7.956 1.00 0.00 O ATOM 1161 CB LEU A 77 -2.312 12.853 -6.599 1.00 0.00 C ATOM 1162 CG LEU A 77 -3.049 12.188 -5.435 1.00 0.00 C ATOM 1163 CD1 LEU A 77 -4.547 12.424 -5.548 1.00 0.00 C ATOM 1164 CD2 LEU A 77 -2.744 10.698 -5.392 1.00 0.00 C ATOM 0 H LEU A 77 -1.781 15.200 -5.848 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.402 12.648 -5.631 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.908 13.697 -6.946 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.258 12.141 -7.423 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.700 12.637 -4.505 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.055 11.944 -4.712 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.749 13.495 -5.529 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.912 12.003 -6.485 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.277 10.241 -4.558 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.064 10.234 -6.325 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.672 10.550 -5.263 1.00 0.00 H new ATOM 1176 N ALA A 78 0.029 12.308 -8.283 1.00 0.00 N ATOM 1177 CA ALA A 78 0.770 12.256 -9.537 1.00 0.00 C ATOM 1178 C ALA A 78 0.094 11.322 -10.535 1.00 0.00 C ATOM 1179 O ALA A 78 -0.668 10.434 -10.152 1.00 0.00 O ATOM 1180 CB ALA A 78 2.204 11.814 -9.285 1.00 0.00 C ATOM 0 H ALA A 78 -0.377 11.417 -7.995 1.00 0.00 H new ATOM 0 HA ALA A 78 0.781 13.258 -9.966 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.746 11.780 -10.230 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.690 12.522 -8.614 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.205 10.823 -8.830 1.00 0.00 H new ATOM 1186 N LEU A 79 0.378 11.528 -11.816 1.00 0.00 N ATOM 1187 CA LEU A 79 -0.203 10.703 -12.871 1.00 0.00 C ATOM 1188 C LEU A 79 0.166 9.236 -12.680 1.00 0.00 C ATOM 1189 O LEU A 79 -0.515 8.342 -13.185 1.00 0.00 O ATOM 1190 CB LEU A 79 0.271 11.186 -14.242 1.00 0.00 C ATOM 1191 CG LEU A 79 -0.050 12.641 -14.590 1.00 0.00 C ATOM 1192 CD1 LEU A 79 0.800 13.110 -15.760 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -1.530 12.799 -14.906 1.00 0.00 C ATOM 0 H LEU A 79 1.007 12.259 -12.150 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.288 10.796 -12.815 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.351 11.050 -14.300 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.172 10.545 -15.004 1.00 0.00 H new ATOM 0 HG LEU A 79 0.185 13.262 -13.726 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.558 14.147 -15.993 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.855 13.034 -15.497 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.597 12.486 -16.630 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.741 13.840 -15.151 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.790 12.166 -15.755 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.121 12.504 -14.039 1.00 0.00 H new ATOM 1205 N LYS A 80 1.247 8.993 -11.947 1.00 0.00 N ATOM 1206 CA LYS A 80 1.706 7.634 -11.686 1.00 0.00 C ATOM 1207 C LYS A 80 0.917 7.003 -10.543 1.00 0.00 C ATOM 1208 O LYS A 80 1.139 5.846 -10.188 1.00 0.00 O ATOM 1209 CB LYS A 80 3.199 7.634 -11.350 1.00 0.00 C ATOM 1210 CG LYS A 80 3.546 8.455 -10.121 1.00 0.00 C ATOM 1211 CD LYS A 80 4.906 9.120 -10.259 1.00 0.00 C ATOM 1212 CE LYS A 80 5.430 9.603 -8.916 1.00 0.00 C ATOM 1213 NZ LYS A 80 6.765 10.250 -9.041 1.00 0.00 N ATOM 0 H LYS A 80 1.822 9.721 -11.523 1.00 0.00 H new ATOM 0 HA LYS A 80 1.542 7.043 -12.587 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.528 6.606 -11.195 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.755 8.021 -12.204 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.782 9.216 -9.964 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.542 7.813 -9.240 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.614 8.415 -10.695 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.832 9.963 -10.946 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.723 10.311 -8.484 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.498 8.760 -8.228 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.087 10.565 -8.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.447 9.567 -9.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.695 11.070 -9.677 1.00 0.00 H new ATOM 1227 N ASP A 81 -0.005 7.771 -9.973 1.00 0.00 N ATOM 1228 CA ASP A 81 -0.830 7.286 -8.872 1.00 0.00 C ATOM 1229 C ASP A 81 -2.128 6.677 -9.393 1.00 0.00 C ATOM 1230 O ASP A 81 -2.768 5.878 -8.709 1.00 0.00 O ATOM 1231 CB ASP A 81 -1.140 8.425 -7.900 1.00 0.00 C ATOM 1232 CG ASP A 81 -1.219 7.953 -6.461 1.00 0.00 C ATOM 1233 OD1 ASP A 81 -0.157 7.660 -5.874 1.00 0.00 O ATOM 1234 OD2 ASP A 81 -2.344 7.875 -5.923 1.00 0.00 O ATOM 0 H ASP A 81 -0.200 8.732 -10.255 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.272 6.511 -8.346 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.370 9.192 -7.986 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.086 8.890 -8.179 1.00 0.00 H new ATOM 1239 N SER A 82 -2.511 7.061 -10.606 1.00 0.00 N ATOM 1240 CA SER A 82 -3.735 6.556 -11.216 1.00 0.00 C ATOM 1241 C SER A 82 -3.779 5.032 -11.166 1.00 0.00 C ATOM 1242 O SER A 82 -3.009 4.355 -11.846 1.00 0.00 O ATOM 1243 CB SER A 82 -3.842 7.033 -12.666 1.00 0.00 C ATOM 1244 OG SER A 82 -3.278 8.324 -12.821 1.00 0.00 O ATOM 0 H SER A 82 -1.991 7.720 -11.186 1.00 0.00 H new ATOM 0 HA SER A 82 -4.581 6.945 -10.649 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.331 6.328 -13.323 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.889 7.051 -12.970 1.00 0.00 H new ATOM 0 HG SER A 82 -2.322 8.242 -13.021 1.00 0.00 H new ATOM 1250 N GLY A 83 -4.687 4.498 -10.355 1.00 0.00 N ATOM 1251 CA GLY A 83 -4.815 3.058 -10.230 1.00 0.00 C ATOM 1252 C GLY A 83 -6.124 2.646 -9.584 1.00 0.00 C ATOM 1253 O GLY A 83 -7.198 2.862 -10.147 1.00 0.00 O ATOM 0 H GLY A 83 -5.336 5.037 -9.782 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.742 2.603 -11.218 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.984 2.672 -9.639 1.00 0.00 H new ATOM 1257 N THR A 84 -6.036 2.050 -8.399 1.00 0.00 N ATOM 1258 CA THR A 84 -7.221 1.604 -7.678 1.00 0.00 C ATOM 1259 C THR A 84 -6.941 1.478 -6.185 1.00 0.00 C ATOM 1260 O THR A 84 -6.133 0.650 -5.764 1.00 0.00 O ATOM 1261 CB THR A 84 -7.727 0.250 -8.210 1.00 0.00 C ATOM 1262 OG1 THR A 84 -7.892 0.313 -9.631 1.00 0.00 O ATOM 1263 CG2 THR A 84 -9.047 -0.129 -7.558 1.00 0.00 C ATOM 0 H THR A 84 -5.156 1.865 -7.918 1.00 0.00 H new ATOM 0 HA THR A 84 -7.991 2.359 -7.838 1.00 0.00 H new ATOM 0 HB THR A 84 -6.987 -0.511 -7.964 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.998 1.247 -9.907 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.384 -1.089 -7.950 1.00 0.00 H new ATOM 0 HG22 THR A 84 -8.911 -0.205 -6.479 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.793 0.635 -7.777 1.00 0.00 H new ATOM 1271 N ILE A 85 -7.614 2.303 -5.390 1.00 0.00 N ATOM 1272 CA ILE A 85 -7.438 2.281 -3.943 1.00 0.00 C ATOM 1273 C ILE A 85 -7.906 0.956 -3.352 1.00 0.00 C ATOM 1274 O ILE A 85 -9.074 0.587 -3.475 1.00 0.00 O ATOM 1275 CB ILE A 85 -8.206 3.432 -3.265 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -7.732 4.781 -3.810 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -8.027 3.371 -1.756 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -6.292 5.098 -3.469 1.00 0.00 C ATOM 0 H ILE A 85 -8.286 2.995 -5.723 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.372 2.404 -3.753 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.267 3.324 -3.490 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.850 4.788 -4.894 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.373 5.569 -3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.575 4.190 -1.291 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.409 2.421 -1.382 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.968 3.458 -1.511 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.024 6.068 -3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.172 5.124 -2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.641 4.330 -3.888 1.00 0.00 H new ATOM 1290 N TYR A 86 -6.987 0.244 -2.709 1.00 0.00 N ATOM 1291 CA TYR A 86 -7.304 -1.042 -2.099 1.00 0.00 C ATOM 1292 C TYR A 86 -7.349 -0.927 -0.578 1.00 0.00 C ATOM 1293 O TYR A 86 -6.384 -1.259 0.110 1.00 0.00 O ATOM 1294 CB TYR A 86 -6.274 -2.094 -2.512 1.00 0.00 C ATOM 1295 CG TYR A 86 -6.488 -2.636 -3.907 1.00 0.00 C ATOM 1296 CD1 TYR A 86 -7.552 -3.483 -4.190 1.00 0.00 C ATOM 1297 CD2 TYR A 86 -5.626 -2.299 -4.944 1.00 0.00 C ATOM 1298 CE1 TYR A 86 -7.750 -3.981 -5.463 1.00 0.00 C ATOM 1299 CE2 TYR A 86 -5.817 -2.791 -6.220 1.00 0.00 C ATOM 1300 CZ TYR A 86 -6.880 -3.632 -6.475 1.00 0.00 C ATOM 1301 OH TYR A 86 -7.075 -4.124 -7.745 1.00 0.00 O ATOM 0 H TYR A 86 -6.016 0.536 -2.597 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.289 -1.350 -2.451 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.277 -1.658 -2.450 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.306 -2.920 -1.802 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.236 -3.757 -3.401 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.792 -1.641 -4.748 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.581 -4.640 -5.665 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.138 -2.519 -7.014 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.375 -3.781 -8.340 1.00 0.00 H new ATOM 1311 N PHE A 87 -8.478 -0.454 -0.060 1.00 0.00 N ATOM 1312 CA PHE A 87 -8.651 -0.294 1.379 1.00 0.00 C ATOM 1313 C PHE A 87 -8.544 -1.638 2.092 1.00 0.00 C ATOM 1314 O PHE A 87 -8.854 -2.682 1.519 1.00 0.00 O ATOM 1315 CB PHE A 87 -10.004 0.352 1.683 1.00 0.00 C ATOM 1316 CG PHE A 87 -10.260 0.546 3.150 1.00 0.00 C ATOM 1317 CD1 PHE A 87 -9.649 1.579 3.842 1.00 0.00 C ATOM 1318 CD2 PHE A 87 -11.111 -0.305 3.837 1.00 0.00 C ATOM 1319 CE1 PHE A 87 -9.882 1.759 5.193 1.00 0.00 C ATOM 1320 CE2 PHE A 87 -11.348 -0.129 5.188 1.00 0.00 C ATOM 1321 CZ PHE A 87 -10.733 0.905 5.866 1.00 0.00 C ATOM 0 H PHE A 87 -9.287 -0.175 -0.615 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.856 0.356 1.745 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.057 1.319 1.182 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.796 -0.268 1.263 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.983 2.251 3.321 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -11.595 -1.115 3.311 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.399 2.567 5.722 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -12.013 -0.799 5.712 1.00 0.00 H new ATOM 0 HZ PHE A 87 -10.917 1.045 6.921 1.00 0.00 H new ATOM 1331 N GLU A 88 -8.103 -1.603 3.346 1.00 0.00 N ATOM 1332 CA GLU A 88 -7.953 -2.819 4.137 1.00 0.00 C ATOM 1333 C GLU A 88 -8.489 -2.617 5.551 1.00 0.00 C ATOM 1334 O GLU A 88 -8.199 -1.612 6.198 1.00 0.00 O ATOM 1335 CB GLU A 88 -6.484 -3.241 4.192 1.00 0.00 C ATOM 1336 CG GLU A 88 -6.125 -4.328 3.193 1.00 0.00 C ATOM 1337 CD GLU A 88 -4.643 -4.649 3.187 1.00 0.00 C ATOM 1338 OE1 GLU A 88 -4.065 -4.805 4.283 1.00 0.00 O ATOM 1339 OE2 GLU A 88 -4.061 -4.744 2.086 1.00 0.00 O ATOM 0 H GLU A 88 -7.844 -0.746 3.835 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.532 -3.608 3.657 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.857 -2.369 4.008 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.253 -3.593 5.198 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.688 -5.232 3.427 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.429 -4.013 2.195 1.00 0.00 H new ATOM 1346 N ALA A 89 -9.274 -3.581 6.023 1.00 0.00 N ATOM 1347 CA ALA A 89 -9.850 -3.510 7.361 1.00 0.00 C ATOM 1348 C ALA A 89 -10.412 -4.862 7.788 1.00 0.00 C ATOM 1349 O ALA A 89 -11.533 -5.220 7.430 1.00 0.00 O ATOM 1350 CB ALA A 89 -10.934 -2.444 7.413 1.00 0.00 C ATOM 0 H ALA A 89 -9.525 -4.419 5.499 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.057 -3.239 8.058 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.355 -2.402 8.417 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.504 -1.475 7.159 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.721 -2.690 6.700 1.00 0.00 H new ATOM 1356 N GLY A 90 -9.625 -5.609 8.556 1.00 0.00 N ATOM 1357 CA GLY A 90 -10.061 -6.913 9.019 1.00 0.00 C ATOM 1358 C GLY A 90 -9.894 -7.989 7.964 1.00 0.00 C ATOM 1359 O GLY A 90 -8.773 -8.327 7.585 1.00 0.00 O ATOM 0 H GLY A 90 -8.693 -5.334 8.866 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.493 -7.188 9.907 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.109 -6.858 9.315 1.00 0.00 H new ATOM 1363 N ASP A 91 -11.012 -8.528 7.489 1.00 0.00 N ATOM 1364 CA ASP A 91 -10.984 -9.572 6.472 1.00 0.00 C ATOM 1365 C ASP A 91 -11.646 -9.093 5.183 1.00 0.00 C ATOM 1366 O ASP A 91 -12.014 -9.898 4.328 1.00 0.00 O ATOM 1367 CB ASP A 91 -11.687 -10.831 6.983 1.00 0.00 C ATOM 1368 CG ASP A 91 -11.328 -12.063 6.176 1.00 0.00 C ATOM 1369 OD1 ASP A 91 -10.374 -11.990 5.373 1.00 0.00 O ATOM 1370 OD2 ASP A 91 -12.001 -13.101 6.347 1.00 0.00 O ATOM 0 H ASP A 91 -11.948 -8.259 7.792 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.942 -9.809 6.258 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -11.420 -10.994 8.027 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -12.766 -10.680 6.949 1.00 0.00 H new ATOM 1375 N GLN A 92 -11.795 -7.779 5.054 1.00 0.00 N ATOM 1376 CA GLN A 92 -12.414 -7.194 3.871 1.00 0.00 C ATOM 1377 C GLN A 92 -11.393 -6.412 3.052 1.00 0.00 C ATOM 1378 O GLN A 92 -10.213 -6.359 3.400 1.00 0.00 O ATOM 1379 CB GLN A 92 -13.570 -6.277 4.275 1.00 0.00 C ATOM 1380 CG GLN A 92 -14.763 -7.021 4.853 1.00 0.00 C ATOM 1381 CD GLN A 92 -15.517 -7.818 3.807 1.00 0.00 C ATOM 1382 OE1 GLN A 92 -16.229 -7.256 2.976 1.00 0.00 O ATOM 1383 NE2 GLN A 92 -15.363 -9.137 3.844 1.00 0.00 N ATOM 0 H GLN A 92 -11.496 -7.100 5.754 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.801 -8.006 3.256 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.211 -5.556 5.010 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.894 -5.709 3.403 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.421 -7.694 5.639 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -15.442 -6.306 5.318 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.762 -9.561 4.551 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.845 -9.726 3.165 1.00 0.00 H new ATOM 1392 N ARG A 93 -11.853 -5.808 1.961 1.00 0.00 N ATOM 1393 CA ARG A 93 -10.978 -5.030 1.091 1.00 0.00 C ATOM 1394 C ARG A 93 -11.784 -4.305 0.018 1.00 0.00 C ATOM 1395 O ARG A 93 -12.386 -4.934 -0.852 1.00 0.00 O ATOM 1396 CB ARG A 93 -9.937 -5.939 0.435 1.00 0.00 C ATOM 1397 CG ARG A 93 -8.733 -5.191 -0.111 1.00 0.00 C ATOM 1398 CD ARG A 93 -7.787 -6.122 -0.853 1.00 0.00 C ATOM 1399 NE ARG A 93 -6.839 -6.772 0.049 1.00 0.00 N ATOM 1400 CZ ARG A 93 -6.080 -7.804 -0.302 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -6.157 -8.301 -1.529 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -5.241 -8.340 0.575 1.00 0.00 N ATOM 0 H ARG A 93 -12.826 -5.842 1.658 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.467 -4.286 1.702 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.597 -6.674 1.165 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -10.410 -6.491 -0.377 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.068 -4.401 -0.783 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.201 -4.708 0.709 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.365 -6.881 -1.380 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.240 -5.557 -1.608 1.00 0.00 H new ATOM 0 HE ARG A 93 -6.755 -6.414 1.000 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -6.800 -7.891 -2.206 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -5.573 -9.094 -1.796 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -5.179 -7.960 1.519 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -4.658 -9.132 0.305 1.00 0.00 H new ATOM 1416 N ALA A 94 -11.792 -2.978 0.087 1.00 0.00 N ATOM 1417 CA ALA A 94 -12.522 -2.167 -0.880 1.00 0.00 C ATOM 1418 C ALA A 94 -11.718 -1.985 -2.163 1.00 0.00 C ATOM 1419 O ALA A 94 -10.552 -2.371 -2.236 1.00 0.00 O ATOM 1420 CB ALA A 94 -12.871 -0.814 -0.277 1.00 0.00 C ATOM 0 H ALA A 94 -11.301 -2.442 0.802 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.445 -2.689 -1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -13.416 -0.219 -1.010 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.492 -0.959 0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -11.955 -0.294 0.004 1.00 0.00 H new ATOM 1426 N SER A 95 -12.350 -1.395 -3.173 1.00 0.00 N ATOM 1427 CA SER A 95 -11.694 -1.166 -4.455 1.00 0.00 C ATOM 1428 C SER A 95 -12.406 -0.069 -5.240 1.00 0.00 C ATOM 1429 O SER A 95 -13.530 -0.253 -5.705 1.00 0.00 O ATOM 1430 CB SER A 95 -11.664 -2.458 -5.274 1.00 0.00 C ATOM 1431 OG SER A 95 -12.957 -3.030 -5.372 1.00 0.00 O ATOM 0 H SER A 95 -13.315 -1.067 -3.128 1.00 0.00 H new ATOM 0 HA SER A 95 -10.671 -0.844 -4.260 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.278 -2.251 -6.272 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.982 -3.171 -4.810 1.00 0.00 H new ATOM 0 HG SER A 95 -13.630 -2.317 -5.388 1.00 0.00 H new ATOM 1437 N ALA A 96 -11.742 1.073 -5.384 1.00 0.00 N ATOM 1438 CA ALA A 96 -12.308 2.200 -6.115 1.00 0.00 C ATOM 1439 C ALA A 96 -11.404 2.617 -7.269 1.00 0.00 C ATOM 1440 O ALA A 96 -10.179 2.568 -7.159 1.00 0.00 O ATOM 1441 CB ALA A 96 -12.542 3.374 -5.175 1.00 0.00 C ATOM 0 H ALA A 96 -10.811 1.242 -5.004 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.264 1.886 -6.533 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.965 4.209 -5.734 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.234 3.077 -4.387 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.595 3.678 -4.730 1.00 0.00 H new ATOM 1447 N ALA A 97 -12.015 3.024 -8.377 1.00 0.00 N ATOM 1448 CA ALA A 97 -11.265 3.450 -9.551 1.00 0.00 C ATOM 1449 C ALA A 97 -10.610 4.808 -9.322 1.00 0.00 C ATOM 1450 O ALA A 97 -11.256 5.849 -9.444 1.00 0.00 O ATOM 1451 CB ALA A 97 -12.175 3.500 -10.770 1.00 0.00 C ATOM 0 H ALA A 97 -13.028 3.067 -8.486 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.475 2.721 -9.730 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.601 3.820 -11.640 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -12.591 2.510 -10.954 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.985 4.206 -10.590 1.00 0.00 H new ATOM 1457 N LEU A 98 -9.324 4.791 -8.988 1.00 0.00 N ATOM 1458 CA LEU A 98 -8.581 6.022 -8.740 1.00 0.00 C ATOM 1459 C LEU A 98 -8.007 6.581 -10.038 1.00 0.00 C ATOM 1460 O LEU A 98 -6.937 6.167 -10.484 1.00 0.00 O ATOM 1461 CB LEU A 98 -7.454 5.767 -7.738 1.00 0.00 C ATOM 1462 CG LEU A 98 -6.353 6.827 -7.683 1.00 0.00 C ATOM 1463 CD1 LEU A 98 -6.957 8.217 -7.547 1.00 0.00 C ATOM 1464 CD2 LEU A 98 -5.398 6.545 -6.532 1.00 0.00 C ATOM 0 H LEU A 98 -8.774 3.938 -8.883 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.270 6.756 -8.323 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.892 5.675 -6.744 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.995 4.807 -7.974 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.790 6.787 -8.615 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.159 8.958 -7.509 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.600 8.420 -8.403 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.545 8.270 -6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.621 7.309 -6.508 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.948 6.558 -5.591 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.940 5.566 -6.671 1.00 0.00 H new ATOM 1476 N ARG A 99 -8.724 7.527 -10.637 1.00 0.00 N ATOM 1477 CA ARG A 99 -8.285 8.144 -11.882 1.00 0.00 C ATOM 1478 C ARG A 99 -7.599 9.481 -11.614 1.00 0.00 C ATOM 1479 O ARG A 99 -8.018 10.242 -10.742 1.00 0.00 O ATOM 1480 CB ARG A 99 -9.475 8.349 -12.822 1.00 0.00 C ATOM 1481 CG ARG A 99 -10.204 7.062 -13.170 1.00 0.00 C ATOM 1482 CD ARG A 99 -9.869 6.595 -14.578 1.00 0.00 C ATOM 1483 NE ARG A 99 -10.972 6.824 -15.507 1.00 0.00 N ATOM 1484 CZ ARG A 99 -11.105 6.181 -16.662 1.00 0.00 C ATOM 1485 NH1 ARG A 99 -10.209 5.274 -17.027 1.00 0.00 N ATOM 1486 NH2 ARG A 99 -12.136 6.444 -17.455 1.00 0.00 N ATOM 0 H ARG A 99 -9.611 7.882 -10.280 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.567 7.475 -12.356 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.178 9.041 -12.359 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.125 8.818 -13.741 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.935 6.285 -12.454 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.279 7.217 -13.083 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.982 7.119 -14.932 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -9.625 5.533 -14.559 1.00 0.00 H new ATOM 0 HE ARG A 99 -11.679 7.515 -15.256 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -9.415 5.068 -16.420 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -10.314 4.782 -17.914 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -12.828 7.141 -17.178 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -12.237 5.950 -18.341 1.00 0.00 H new ATOM 1500 N VAL A 100 -6.541 9.759 -12.369 1.00 0.00 N ATOM 1501 CA VAL A 100 -5.796 11.003 -12.214 1.00 0.00 C ATOM 1502 C VAL A 100 -5.201 11.456 -13.542 1.00 0.00 C ATOM 1503 O VAL A 100 -4.224 10.883 -14.026 1.00 0.00 O ATOM 1504 CB VAL A 100 -4.664 10.854 -11.181 1.00 0.00 C ATOM 1505 CG1 VAL A 100 -3.870 12.147 -11.069 1.00 0.00 C ATOM 1506 CG2 VAL A 100 -5.228 10.447 -9.828 1.00 0.00 C ATOM 0 H VAL A 100 -6.180 9.139 -13.094 1.00 0.00 H new ATOM 0 HA VAL A 100 -6.503 11.754 -11.861 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.988 10.068 -11.519 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.074 12.023 -10.334 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.435 12.392 -12.038 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.532 12.954 -10.754 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.414 10.346 -9.110 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.926 11.209 -9.481 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.749 9.494 -9.923 1.00 0.00 H new ATOM 1516 N THR A 101 -5.796 12.491 -14.129 1.00 0.00 N ATOM 1517 CA THR A 101 -5.325 13.022 -15.402 1.00 0.00 C ATOM 1518 C THR A 101 -4.310 14.140 -15.190 1.00 0.00 C ATOM 1519 O THR A 101 -4.089 14.583 -14.064 1.00 0.00 O ATOM 1520 CB THR A 101 -6.492 13.557 -16.253 1.00 0.00 C ATOM 1521 OG1 THR A 101 -6.996 14.771 -15.684 1.00 0.00 O ATOM 1522 CG2 THR A 101 -7.611 12.531 -16.345 1.00 0.00 C ATOM 0 H THR A 101 -6.605 12.978 -13.742 1.00 0.00 H new ATOM 0 HA THR A 101 -4.847 12.198 -15.931 1.00 0.00 H new ATOM 0 HB THR A 101 -6.119 13.754 -17.258 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.737 15.106 -16.231 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.423 12.932 -16.951 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.231 11.619 -16.805 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.981 12.306 -15.345 1.00 0.00 H new ATOM 1530 N GLU A 102 -3.697 14.591 -16.280 1.00 0.00 N ATOM 1531 CA GLU A 102 -2.706 15.657 -16.212 1.00 0.00 C ATOM 1532 C GLU A 102 -3.262 16.871 -15.472 1.00 0.00 C ATOM 1533 O GLU A 102 -4.462 16.956 -15.209 1.00 0.00 O ATOM 1534 CB GLU A 102 -2.262 16.063 -17.619 1.00 0.00 C ATOM 1535 CG GLU A 102 -1.071 15.273 -18.133 1.00 0.00 C ATOM 1536 CD GLU A 102 -1.057 15.155 -19.645 1.00 0.00 C ATOM 1537 OE1 GLU A 102 -0.830 16.183 -20.317 1.00 0.00 O ATOM 1538 OE2 GLU A 102 -1.274 14.036 -20.156 1.00 0.00 O ATOM 0 H GLU A 102 -3.870 14.234 -17.220 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.844 15.281 -15.662 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.098 15.932 -18.306 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -2.011 17.124 -17.620 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.151 15.754 -17.801 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.085 14.275 -17.695 1.00 0.00 H new ATOM 1545 N LYS A 103 -2.382 17.809 -15.140 1.00 0.00 N ATOM 1546 CA LYS A 103 -2.782 19.019 -14.432 1.00 0.00 C ATOM 1547 C LYS A 103 -2.171 20.256 -15.081 1.00 0.00 C ATOM 1548 O LYS A 103 -1.156 20.187 -15.773 1.00 0.00 O ATOM 1549 CB LYS A 103 -2.359 18.938 -12.963 1.00 0.00 C ATOM 1550 CG LYS A 103 -0.954 19.455 -12.706 1.00 0.00 C ATOM 1551 CD LYS A 103 0.098 18.470 -13.186 1.00 0.00 C ATOM 1552 CE LYS A 103 1.175 19.161 -14.008 1.00 0.00 C ATOM 1553 NZ LYS A 103 2.427 18.358 -14.071 1.00 0.00 N ATOM 0 H LYS A 103 -1.385 17.754 -15.350 1.00 0.00 H new ATOM 0 HA LYS A 103 -3.868 19.101 -14.487 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -3.064 19.509 -12.359 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.422 17.901 -12.632 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.818 20.410 -13.213 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.822 19.639 -11.640 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.554 17.977 -12.328 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.376 17.693 -13.785 1.00 0.00 H new ATOM 0 HE2 LYS A 103 0.805 19.335 -15.018 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.392 20.138 -13.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.135 18.864 -14.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.795 18.213 -13.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.226 17.436 -14.508 1.00 0.00 H new