USER MOD reduce.3.24.130724 H: found=0, std=0, add=607, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 608 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 70 SER OG : rot -165:sc= 0.00192 USER MOD Set 2.1: A 29 TYR OH : rot 37:sc= 0.716 USER MOD Set 2.2: A 73 HIS : no HE2:sc= -4.37! C(o=-3.7!,f=-4.9!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -1.24 K(o=-1.2,f=-2.6!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -2.89! C(o=-2.9!,f=-3.9!) USER MOD Single : A 39 CYS SG : rot 101:sc= -4.19! USER MOD Single : A 42 MET CE :methyl -147:sc= 0 (180deg=-0.115) USER MOD Single : A 43 LYS NZ :NH3+ -132:sc= 0.499 (180deg=-0.406) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 85:sc= 0.258 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 GLN : amide:sc= -0.516 K(o=-0.52,f=-2.1) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 CYS SG : rot 170:sc= -0.434 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot -24:sc= 0.333 USER MOD Single : A 79 ASN : amide:sc= -0.0314 X(o=-0.031,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 155:sc= -0.0786 (180deg=-0.586) USER MOD Single : A 85 CYS SG : rot 180:sc= -1.07 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0312 USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 8 -2.984 12.406 -8.938 1.00 0.00 N ATOM 152 CA GLU A 8 -2.318 11.110 -8.900 1.00 0.00 C ATOM 153 C GLU A 8 -0.821 11.275 -8.652 1.00 0.00 C ATOM 154 O GLU A 8 -0.133 10.320 -8.289 1.00 0.00 O ATOM 155 CB GLU A 8 -2.549 10.355 -10.211 1.00 0.00 C ATOM 156 CG GLU A 8 -3.938 10.554 -10.791 1.00 0.00 C ATOM 157 CD GLU A 8 -4.042 11.805 -11.642 1.00 0.00 C ATOM 158 OE1 GLU A 8 -2.986 12.372 -11.992 1.00 0.00 O ATOM 159 OE2 GLU A 8 -5.177 12.217 -11.956 1.00 0.00 O ATOM 0 HA GLU A 8 -2.744 10.535 -8.078 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -1.809 10.680 -10.943 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.384 9.291 -10.042 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.203 9.686 -11.394 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.662 10.611 -9.978 1.00 0.00 H new ATOM 166 N ILE A 9 -0.325 12.491 -8.851 1.00 0.00 N ATOM 167 CA ILE A 9 1.089 12.781 -8.649 1.00 0.00 C ATOM 168 C ILE A 9 1.596 12.167 -7.348 1.00 0.00 C ATOM 169 O ILE A 9 2.508 11.342 -7.353 1.00 0.00 O ATOM 170 CB ILE A 9 1.355 14.298 -8.625 1.00 0.00 C ATOM 171 CG1 ILE A 9 0.841 14.948 -9.911 1.00 0.00 C ATOM 172 CG2 ILE A 9 2.840 14.573 -8.442 1.00 0.00 C ATOM 173 CD1 ILE A 9 1.024 16.449 -9.944 1.00 0.00 C ATOM 0 H ILE A 9 -0.881 13.291 -9.152 1.00 0.00 H new ATOM 0 HA ILE A 9 1.625 12.340 -9.489 1.00 0.00 H new ATOM 0 HB ILE A 9 0.819 14.733 -7.781 1.00 0.00 H new ATOM 0 HG12 ILE A 9 1.359 14.508 -10.763 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.218 14.716 -10.028 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.012 15.649 -8.427 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.177 14.139 -7.501 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.397 14.128 -9.267 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.637 16.842 -10.884 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.483 16.900 -9.112 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.084 16.688 -9.859 1.00 0.00 H new ATOM 185 N GLY A 10 0.995 12.574 -6.234 1.00 0.00 N ATOM 186 CA GLY A 10 1.397 12.053 -4.941 1.00 0.00 C ATOM 187 C GLY A 10 0.734 10.728 -4.618 1.00 0.00 C ATOM 188 O GLY A 10 0.708 10.303 -3.463 1.00 0.00 O ATOM 0 H GLY A 10 0.237 13.255 -6.204 1.00 0.00 H new ATOM 0 HA2 GLY A 10 2.480 11.928 -4.924 1.00 0.00 H new ATOM 0 HA3 GLY A 10 1.148 12.779 -4.167 1.00 0.00 H new ATOM 192 N LYS A 11 0.194 10.074 -5.641 1.00 0.00 N ATOM 193 CA LYS A 11 -0.473 8.790 -5.462 1.00 0.00 C ATOM 194 C LYS A 11 0.430 7.642 -5.901 1.00 0.00 C ATOM 195 O LYS A 11 1.161 7.755 -6.886 1.00 0.00 O ATOM 196 CB LYS A 11 -1.781 8.757 -6.256 1.00 0.00 C ATOM 197 CG LYS A 11 -2.706 7.620 -5.856 1.00 0.00 C ATOM 198 CD LYS A 11 -4.019 7.676 -6.619 1.00 0.00 C ATOM 199 CE LYS A 11 -5.015 8.609 -5.947 1.00 0.00 C ATOM 200 NZ LYS A 11 -6.423 8.222 -6.240 1.00 0.00 N ATOM 0 H LYS A 11 0.205 10.412 -6.603 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.695 8.669 -4.402 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -2.303 9.704 -6.120 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.550 8.670 -7.318 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.214 6.666 -6.045 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.904 7.670 -4.785 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -3.834 8.013 -7.639 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.445 6.675 -6.686 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.852 8.598 -4.869 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -4.841 9.630 -6.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.071 8.882 -5.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.586 8.257 -7.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.597 7.257 -5.894 1.00 0.00 H new ATOM 214 N LEU A 12 0.374 6.537 -5.166 1.00 0.00 N ATOM 215 CA LEU A 12 1.185 5.366 -5.481 1.00 0.00 C ATOM 216 C LEU A 12 0.318 4.117 -5.599 1.00 0.00 C ATOM 217 O LEU A 12 -0.283 3.671 -4.621 1.00 0.00 O ATOM 218 CB LEU A 12 2.255 5.159 -4.407 1.00 0.00 C ATOM 219 CG LEU A 12 3.453 4.299 -4.811 1.00 0.00 C ATOM 220 CD1 LEU A 12 4.311 5.026 -5.834 1.00 0.00 C ATOM 221 CD2 LEU A 12 4.279 3.927 -3.587 1.00 0.00 C ATOM 0 H LEU A 12 -0.225 6.427 -4.348 1.00 0.00 H new ATOM 0 HA LEU A 12 1.671 5.539 -6.441 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.623 6.137 -4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.784 4.704 -3.536 1.00 0.00 H new ATOM 0 HG LEU A 12 3.080 3.381 -5.266 1.00 0.00 H new ATOM 0 HD11 LEU A 12 5.159 4.399 -6.110 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.715 5.241 -6.721 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.675 5.960 -5.406 1.00 0.00 H new ATOM 0 HD21 LEU A 12 5.127 3.315 -3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.642 4.834 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.660 3.365 -2.887 1.00 0.00 H new ATOM 233 N PHE A 13 0.258 3.556 -6.802 1.00 0.00 N ATOM 234 CA PHE A 13 -0.535 2.357 -7.048 1.00 0.00 C ATOM 235 C PHE A 13 0.311 1.100 -6.874 1.00 0.00 C ATOM 236 O PHE A 13 1.283 0.886 -7.600 1.00 0.00 O ATOM 237 CB PHE A 13 -1.131 2.394 -8.456 1.00 0.00 C ATOM 238 CG PHE A 13 -1.679 1.071 -8.910 1.00 0.00 C ATOM 239 CD1 PHE A 13 -0.834 0.085 -9.394 1.00 0.00 C ATOM 240 CD2 PHE A 13 -3.039 0.813 -8.852 1.00 0.00 C ATOM 241 CE1 PHE A 13 -1.336 -1.132 -9.813 1.00 0.00 C ATOM 242 CE2 PHE A 13 -3.547 -0.403 -9.269 1.00 0.00 C ATOM 243 CZ PHE A 13 -2.694 -1.377 -9.749 1.00 0.00 C ATOM 0 H PHE A 13 0.749 3.912 -7.622 1.00 0.00 H new ATOM 0 HA PHE A 13 -1.345 2.332 -6.319 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.928 3.137 -8.485 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.364 2.721 -9.158 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.229 0.270 -9.444 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -3.710 1.571 -8.476 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.667 -1.891 -10.190 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -4.609 -0.591 -9.219 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.088 -2.329 -10.074 1.00 0.00 H new ATOM 253 N VAL A 14 -0.064 0.270 -5.906 1.00 0.00 N ATOM 254 CA VAL A 14 0.659 -0.967 -5.636 1.00 0.00 C ATOM 255 C VAL A 14 0.091 -2.125 -6.449 1.00 0.00 C ATOM 256 O VAL A 14 -1.123 -2.313 -6.517 1.00 0.00 O ATOM 257 CB VAL A 14 0.609 -1.332 -4.140 1.00 0.00 C ATOM 258 CG1 VAL A 14 1.566 -2.474 -3.836 1.00 0.00 C ATOM 259 CG2 VAL A 14 0.929 -0.115 -3.285 1.00 0.00 C ATOM 0 H VAL A 14 -0.865 0.432 -5.295 1.00 0.00 H new ATOM 0 HA VAL A 14 1.696 -0.797 -5.927 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.401 -1.663 -3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.517 -2.717 -2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.286 -3.349 -4.422 1.00 0.00 H new ATOM 0 HG13 VAL A 14 2.582 -2.175 -4.093 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.889 -0.390 -2.231 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.928 0.248 -3.528 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.200 0.670 -3.483 1.00 0.00 H new ATOM 269 N GLY A 15 0.979 -2.900 -7.065 1.00 0.00 N ATOM 270 CA GLY A 15 0.547 -4.030 -7.866 1.00 0.00 C ATOM 271 C GLY A 15 1.226 -5.323 -7.458 1.00 0.00 C ATOM 272 O GLY A 15 2.409 -5.523 -7.729 1.00 0.00 O ATOM 0 H GLY A 15 1.989 -2.765 -7.023 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.533 -4.145 -7.773 1.00 0.00 H new ATOM 0 HA3 GLY A 15 0.757 -3.828 -8.916 1.00 0.00 H new ATOM 276 N GLY A 16 0.475 -6.203 -6.802 1.00 0.00 N ATOM 277 CA GLY A 16 1.029 -7.471 -6.365 1.00 0.00 C ATOM 278 C GLY A 16 0.748 -7.752 -4.902 1.00 0.00 C ATOM 279 O GLY A 16 1.308 -8.685 -4.323 1.00 0.00 O ATOM 0 H GLY A 16 -0.507 -6.060 -6.566 1.00 0.00 H new ATOM 0 HA2 GLY A 16 0.613 -8.275 -6.973 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.106 -7.470 -6.531 1.00 0.00 H new ATOM 283 N LEU A 17 -0.119 -6.944 -4.302 1.00 0.00 N ATOM 284 CA LEU A 17 -0.472 -7.110 -2.896 1.00 0.00 C ATOM 285 C LEU A 17 -0.868 -8.553 -2.601 1.00 0.00 C ATOM 286 O LEU A 17 -0.904 -9.394 -3.499 1.00 0.00 O ATOM 287 CB LEU A 17 -1.618 -6.168 -2.523 1.00 0.00 C ATOM 288 CG LEU A 17 -1.285 -4.676 -2.515 1.00 0.00 C ATOM 289 CD1 LEU A 17 -2.554 -3.846 -2.403 1.00 0.00 C ATOM 290 CD2 LEU A 17 -0.330 -4.349 -1.377 1.00 0.00 C ATOM 0 H LEU A 17 -0.590 -6.168 -4.767 1.00 0.00 H new ATOM 0 HA LEU A 17 0.403 -6.863 -2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.439 -6.333 -3.221 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.981 -6.444 -1.533 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.795 -4.428 -3.457 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.297 -2.787 -2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.204 -4.058 -3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -3.072 -4.097 -1.478 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.104 -3.283 -1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.793 -4.613 -0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.592 -4.917 -1.502 1.00 0.00 H new ATOM 302 N ASP A 18 -1.165 -8.832 -1.336 1.00 0.00 N ATOM 303 CA ASP A 18 -1.562 -10.173 -0.922 1.00 0.00 C ATOM 304 C ASP A 18 -2.949 -10.158 -0.287 1.00 0.00 C ATOM 305 O ASP A 18 -3.257 -9.292 0.533 1.00 0.00 O ATOM 306 CB ASP A 18 -0.543 -10.749 0.062 1.00 0.00 C ATOM 307 CG ASP A 18 -0.627 -12.259 0.166 1.00 0.00 C ATOM 308 OD1 ASP A 18 -0.661 -12.926 -0.890 1.00 0.00 O ATOM 309 OD2 ASP A 18 -0.659 -12.774 1.303 1.00 0.00 O ATOM 0 H ASP A 18 -1.138 -8.148 -0.580 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.596 -10.805 -1.809 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.461 -10.465 -0.252 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.705 -10.310 1.047 1.00 0.00 H new ATOM 314 N TRP A 19 -3.781 -11.119 -0.671 1.00 0.00 N ATOM 315 CA TRP A 19 -5.135 -11.215 -0.139 1.00 0.00 C ATOM 316 C TRP A 19 -5.155 -10.921 1.357 1.00 0.00 C ATOM 317 O TRP A 19 -6.123 -10.366 1.877 1.00 0.00 O ATOM 318 CB TRP A 19 -5.713 -12.606 -0.406 1.00 0.00 C ATOM 319 CG TRP A 19 -4.945 -13.706 0.263 1.00 0.00 C ATOM 320 CD1 TRP A 19 -3.891 -14.401 -0.255 1.00 0.00 C ATOM 321 CD2 TRP A 19 -5.175 -14.237 1.572 1.00 0.00 C ATOM 322 NE1 TRP A 19 -3.450 -15.334 0.653 1.00 0.00 N ATOM 323 CE2 TRP A 19 -4.221 -15.253 1.783 1.00 0.00 C ATOM 324 CE3 TRP A 19 -6.092 -13.954 2.588 1.00 0.00 C ATOM 325 CZ2 TRP A 19 -4.161 -15.983 2.966 1.00 0.00 C ATOM 326 CZ3 TRP A 19 -6.031 -14.680 3.762 1.00 0.00 C ATOM 327 CH2 TRP A 19 -5.071 -15.684 3.944 1.00 0.00 C ATOM 0 H TRP A 19 -3.542 -11.843 -1.349 1.00 0.00 H new ATOM 0 HA TRP A 19 -5.750 -10.471 -0.644 1.00 0.00 H new ATOM 0 HB2 TRP A 19 -6.747 -12.634 -0.063 1.00 0.00 H new ATOM 0 HB3 TRP A 19 -5.729 -12.785 -1.481 1.00 0.00 H new ATOM 0 HD1 TRP A 19 -3.466 -14.241 -1.235 1.00 0.00 H new ATOM 0 HE1 TRP A 19 -2.675 -15.981 0.509 1.00 0.00 H new ATOM 0 HE3 TRP A 19 -6.835 -13.181 2.458 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -3.423 -16.758 3.108 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 -6.736 -14.470 4.553 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -5.048 -16.233 4.874 1.00 0.00 H new ATOM 338 N SER A 20 -4.081 -11.297 2.043 1.00 0.00 N ATOM 339 CA SER A 20 -3.977 -11.077 3.481 1.00 0.00 C ATOM 340 C SER A 20 -3.591 -9.632 3.783 1.00 0.00 C ATOM 341 O SER A 20 -4.193 -8.981 4.639 1.00 0.00 O ATOM 342 CB SER A 20 -2.947 -12.029 4.091 1.00 0.00 C ATOM 343 OG SER A 20 -2.785 -11.785 5.478 1.00 0.00 O ATOM 0 H SER A 20 -3.270 -11.755 1.627 1.00 0.00 H new ATOM 0 HA SER A 20 -4.953 -11.275 3.925 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.263 -13.060 3.935 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.990 -11.908 3.583 1.00 0.00 H new ATOM 0 HG SER A 20 -2.123 -12.407 5.844 1.00 0.00 H new ATOM 349 N THR A 21 -2.583 -9.134 3.073 1.00 0.00 N ATOM 350 CA THR A 21 -2.115 -7.768 3.265 1.00 0.00 C ATOM 351 C THR A 21 -3.271 -6.832 3.599 1.00 0.00 C ATOM 352 O THR A 21 -4.310 -6.851 2.939 1.00 0.00 O ATOM 353 CB THR A 21 -1.390 -7.241 2.012 1.00 0.00 C ATOM 354 OG1 THR A 21 -0.144 -7.926 1.843 1.00 0.00 O ATOM 355 CG2 THR A 21 -1.142 -5.744 2.118 1.00 0.00 C ATOM 0 H THR A 21 -2.075 -9.657 2.360 1.00 0.00 H new ATOM 0 HA THR A 21 -1.415 -7.789 4.100 1.00 0.00 H new ATOM 0 HB THR A 21 -2.026 -7.426 1.147 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.310 -7.587 1.044 1.00 0.00 H new ATOM 0 HG21 THR A 21 -0.629 -5.396 1.221 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.095 -5.223 2.216 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.524 -5.539 2.992 1.00 0.00 H new ATOM 363 N THR A 22 -3.084 -6.013 4.630 1.00 0.00 N ATOM 364 CA THR A 22 -4.112 -5.070 5.053 1.00 0.00 C ATOM 365 C THR A 22 -3.668 -3.631 4.818 1.00 0.00 C ATOM 366 O THR A 22 -2.488 -3.366 4.589 1.00 0.00 O ATOM 367 CB THR A 22 -4.462 -5.251 6.542 1.00 0.00 C ATOM 368 OG1 THR A 22 -3.272 -5.186 7.336 1.00 0.00 O ATOM 369 CG2 THR A 22 -5.162 -6.581 6.776 1.00 0.00 C ATOM 0 H THR A 22 -2.230 -5.984 5.187 1.00 0.00 H new ATOM 0 HA THR A 22 -4.997 -5.277 4.452 1.00 0.00 H new ATOM 0 HB THR A 22 -5.138 -4.447 6.834 1.00 0.00 H new ATOM 0 HG1 THR A 22 -3.503 -5.300 8.282 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.399 -6.686 7.835 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.082 -6.615 6.193 1.00 0.00 H new ATOM 0 HG23 THR A 22 -4.507 -7.396 6.468 1.00 0.00 H new ATOM 377 N GLN A 23 -4.620 -2.706 4.876 1.00 0.00 N ATOM 378 CA GLN A 23 -4.326 -1.293 4.670 1.00 0.00 C ATOM 379 C GLN A 23 -3.482 -0.740 5.813 1.00 0.00 C ATOM 380 O GLN A 23 -2.639 0.133 5.609 1.00 0.00 O ATOM 381 CB GLN A 23 -5.623 -0.493 4.544 1.00 0.00 C ATOM 382 CG GLN A 23 -6.214 -0.507 3.143 1.00 0.00 C ATOM 383 CD GLN A 23 -7.675 -0.102 3.121 1.00 0.00 C ATOM 384 OE1 GLN A 23 -8.015 1.017 2.738 1.00 0.00 O ATOM 385 NE2 GLN A 23 -8.548 -1.014 3.534 1.00 0.00 N ATOM 0 H GLN A 23 -5.602 -2.910 5.064 1.00 0.00 H new ATOM 0 HA GLN A 23 -3.758 -1.198 3.745 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -6.357 -0.895 5.243 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -5.433 0.539 4.839 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -5.644 0.169 2.506 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -6.112 -1.506 2.720 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -8.221 -1.930 3.843 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -9.545 -0.799 3.542 1.00 0.00 H new ATOM 394 N GLU A 24 -3.716 -1.254 7.017 1.00 0.00 N ATOM 395 CA GLU A 24 -2.977 -0.809 8.193 1.00 0.00 C ATOM 396 C GLU A 24 -1.481 -1.054 8.021 1.00 0.00 C ATOM 397 O GLU A 24 -0.688 -0.114 7.966 1.00 0.00 O ATOM 398 CB GLU A 24 -3.483 -1.532 9.443 1.00 0.00 C ATOM 399 CG GLU A 24 -4.620 -0.810 10.145 1.00 0.00 C ATOM 400 CD GLU A 24 -5.981 -1.188 9.592 1.00 0.00 C ATOM 401 OE1 GLU A 24 -6.350 -2.377 9.683 1.00 0.00 O ATOM 402 OE2 GLU A 24 -6.677 -0.293 9.068 1.00 0.00 O ATOM 0 H GLU A 24 -4.410 -1.978 7.203 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.140 0.262 8.310 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -3.816 -2.532 9.164 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.655 -1.655 10.142 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.588 -1.039 11.210 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -4.478 0.266 10.046 1.00 0.00 H new ATOM 409 N THR A 25 -1.101 -2.326 7.936 1.00 0.00 N ATOM 410 CA THR A 25 0.299 -2.696 7.771 1.00 0.00 C ATOM 411 C THR A 25 0.900 -2.038 6.534 1.00 0.00 C ATOM 412 O THR A 25 2.055 -1.610 6.545 1.00 0.00 O ATOM 413 CB THR A 25 0.467 -4.223 7.660 1.00 0.00 C ATOM 414 OG1 THR A 25 -0.046 -4.860 8.835 1.00 0.00 O ATOM 415 CG2 THR A 25 1.930 -4.594 7.473 1.00 0.00 C ATOM 0 H THR A 25 -1.744 -3.117 7.979 1.00 0.00 H new ATOM 0 HA THR A 25 0.826 -2.344 8.658 1.00 0.00 H new ATOM 0 HB THR A 25 -0.092 -4.565 6.789 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.063 -5.831 8.755 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.024 -5.677 7.397 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.309 -4.132 6.561 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.507 -4.239 8.327 1.00 0.00 H new ATOM 423 N LEU A 26 0.110 -1.960 5.469 1.00 0.00 N ATOM 424 CA LEU A 26 0.565 -1.353 4.223 1.00 0.00 C ATOM 425 C LEU A 26 0.949 0.108 4.437 1.00 0.00 C ATOM 426 O LEU A 26 1.977 0.569 3.940 1.00 0.00 O ATOM 427 CB LEU A 26 -0.526 -1.454 3.156 1.00 0.00 C ATOM 428 CG LEU A 26 -0.130 -1.014 1.746 1.00 0.00 C ATOM 429 CD1 LEU A 26 0.981 -1.899 1.203 1.00 0.00 C ATOM 430 CD2 LEU A 26 -1.336 -1.040 0.819 1.00 0.00 C ATOM 0 H LEU A 26 -0.848 -2.309 5.443 1.00 0.00 H new ATOM 0 HA LEU A 26 1.448 -1.896 3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.866 -2.489 3.110 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.377 -0.853 3.477 1.00 0.00 H new ATOM 0 HG LEU A 26 0.241 0.010 1.797 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.250 -1.571 0.199 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.853 -1.828 1.853 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.638 -2.933 1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.034 -0.724 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.738 -2.052 0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.101 -0.363 1.198 1.00 0.00 H new ATOM 442 N ARG A 27 0.118 0.830 5.181 1.00 0.00 N ATOM 443 CA ARG A 27 0.371 2.238 5.462 1.00 0.00 C ATOM 444 C ARG A 27 1.792 2.442 5.980 1.00 0.00 C ATOM 445 O ARG A 27 2.553 3.240 5.435 1.00 0.00 O ATOM 446 CB ARG A 27 -0.637 2.765 6.485 1.00 0.00 C ATOM 447 CG ARG A 27 -2.012 3.041 5.899 1.00 0.00 C ATOM 448 CD ARG A 27 -3.081 3.077 6.980 1.00 0.00 C ATOM 449 NE ARG A 27 -3.070 4.336 7.719 1.00 0.00 N ATOM 450 CZ ARG A 27 -3.450 5.498 7.198 1.00 0.00 C ATOM 451 NH1 ARG A 27 -3.869 5.559 5.941 1.00 0.00 N ATOM 452 NH2 ARG A 27 -3.411 6.601 7.934 1.00 0.00 N ATOM 0 H ARG A 27 -0.736 0.463 5.600 1.00 0.00 H new ATOM 0 HA ARG A 27 0.258 2.794 4.532 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.735 2.040 7.293 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.248 3.683 6.926 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.998 3.993 5.368 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.258 2.271 5.168 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.061 2.932 6.525 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.925 2.249 7.672 1.00 0.00 H new ATOM 0 HE ARG A 27 -2.753 4.323 8.688 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -3.900 4.713 5.372 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -4.160 6.452 5.543 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.089 6.558 8.901 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -3.703 7.492 7.533 1.00 0.00 H new ATOM 466 N SER A 28 2.141 1.714 7.037 1.00 0.00 N ATOM 467 CA SER A 28 3.469 1.819 7.631 1.00 0.00 C ATOM 468 C SER A 28 4.549 1.459 6.616 1.00 0.00 C ATOM 469 O SER A 28 5.436 2.261 6.325 1.00 0.00 O ATOM 470 CB SER A 28 3.576 0.905 8.853 1.00 0.00 C ATOM 471 OG SER A 28 3.049 1.534 10.009 1.00 0.00 O ATOM 0 H SER A 28 1.523 1.046 7.499 1.00 0.00 H new ATOM 0 HA SER A 28 3.620 2.852 7.944 1.00 0.00 H new ATOM 0 HB2 SER A 28 3.039 -0.024 8.664 1.00 0.00 H new ATOM 0 HB3 SER A 28 4.620 0.641 9.023 1.00 0.00 H new ATOM 0 HG SER A 28 3.128 0.928 10.776 1.00 0.00 H new ATOM 477 N TYR A 29 4.466 0.246 6.079 1.00 0.00 N ATOM 478 CA TYR A 29 5.437 -0.223 5.098 1.00 0.00 C ATOM 479 C TYR A 29 5.875 0.913 4.179 1.00 0.00 C ATOM 480 O TYR A 29 7.066 1.096 3.923 1.00 0.00 O ATOM 481 CB TYR A 29 4.845 -1.364 4.269 1.00 0.00 C ATOM 482 CG TYR A 29 5.837 -2.005 3.325 1.00 0.00 C ATOM 483 CD1 TYR A 29 6.800 -2.890 3.794 1.00 0.00 C ATOM 484 CD2 TYR A 29 5.811 -1.727 1.964 1.00 0.00 C ATOM 485 CE1 TYR A 29 7.709 -3.477 2.935 1.00 0.00 C ATOM 486 CE2 TYR A 29 6.715 -2.310 1.098 1.00 0.00 C ATOM 487 CZ TYR A 29 7.662 -3.184 1.588 1.00 0.00 C ATOM 488 OH TYR A 29 8.565 -3.768 0.729 1.00 0.00 O ATOM 0 H TYR A 29 3.736 -0.429 6.307 1.00 0.00 H new ATOM 0 HA TYR A 29 6.311 -0.589 5.636 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.453 -2.126 4.943 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.002 -0.984 3.693 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.839 -3.123 4.848 1.00 0.00 H new ATOM 0 HD2 TYR A 29 5.071 -1.043 1.576 1.00 0.00 H new ATOM 0 HE1 TYR A 29 8.452 -4.162 3.316 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.680 -2.083 0.043 1.00 0.00 H new ATOM 0 HH TYR A 29 8.736 -4.690 1.012 1.00 0.00 H new ATOM 498 N PHE A 30 4.905 1.675 3.686 1.00 0.00 N ATOM 499 CA PHE A 30 5.189 2.795 2.796 1.00 0.00 C ATOM 500 C PHE A 30 5.520 4.053 3.592 1.00 0.00 C ATOM 501 O PHE A 30 6.290 4.901 3.142 1.00 0.00 O ATOM 502 CB PHE A 30 3.994 3.059 1.877 1.00 0.00 C ATOM 503 CG PHE A 30 3.977 2.190 0.652 1.00 0.00 C ATOM 504 CD1 PHE A 30 4.928 2.353 -0.343 1.00 0.00 C ATOM 505 CD2 PHE A 30 3.009 1.211 0.494 1.00 0.00 C ATOM 506 CE1 PHE A 30 4.915 1.555 -1.471 1.00 0.00 C ATOM 507 CE2 PHE A 30 2.991 0.410 -0.633 1.00 0.00 C ATOM 508 CZ PHE A 30 3.945 0.583 -1.617 1.00 0.00 C ATOM 0 H PHE A 30 3.915 1.538 3.888 1.00 0.00 H new ATOM 0 HA PHE A 30 6.055 2.533 2.189 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.073 2.901 2.438 1.00 0.00 H new ATOM 0 HB3 PHE A 30 4.005 4.105 1.571 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.688 3.113 -0.235 1.00 0.00 H new ATOM 0 HD2 PHE A 30 2.260 1.072 1.260 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.663 1.691 -2.238 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.232 -0.350 -0.744 1.00 0.00 H new ATOM 0 HZ PHE A 30 3.932 -0.041 -2.499 1.00 0.00 H new ATOM 518 N SER A 31 4.931 4.167 4.779 1.00 0.00 N ATOM 519 CA SER A 31 5.160 5.324 5.637 1.00 0.00 C ATOM 520 C SER A 31 6.653 5.576 5.823 1.00 0.00 C ATOM 521 O SER A 31 7.120 6.709 5.708 1.00 0.00 O ATOM 522 CB SER A 31 4.493 5.115 6.998 1.00 0.00 C ATOM 523 OG SER A 31 4.379 6.339 7.703 1.00 0.00 O ATOM 0 H SER A 31 4.293 3.473 5.168 1.00 0.00 H new ATOM 0 HA SER A 31 4.720 6.196 5.154 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.504 4.678 6.859 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.075 4.405 7.587 1.00 0.00 H new ATOM 0 HG SER A 31 3.948 6.179 8.569 1.00 0.00 H new ATOM 529 N GLN A 32 7.395 4.512 6.110 1.00 0.00 N ATOM 530 CA GLN A 32 8.835 4.618 6.313 1.00 0.00 C ATOM 531 C GLN A 32 9.487 5.408 5.183 1.00 0.00 C ATOM 532 O GLN A 32 10.533 6.031 5.370 1.00 0.00 O ATOM 533 CB GLN A 32 9.462 3.226 6.406 1.00 0.00 C ATOM 534 CG GLN A 32 8.883 2.230 5.414 1.00 0.00 C ATOM 535 CD GLN A 32 9.881 1.165 5.005 1.00 0.00 C ATOM 536 OE1 GLN A 32 11.076 1.434 4.877 1.00 0.00 O ATOM 537 NE2 GLN A 32 9.396 -0.053 4.797 1.00 0.00 N ATOM 0 H GLN A 32 7.023 3.567 6.207 1.00 0.00 H new ATOM 0 HA GLN A 32 9.007 5.149 7.249 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.536 3.309 6.240 1.00 0.00 H new ATOM 0 HB3 GLN A 32 9.324 2.841 7.417 1.00 0.00 H new ATOM 0 HG2 GLN A 32 8.008 1.752 5.854 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.543 2.763 4.526 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.399 -0.232 4.915 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.021 -0.810 4.520 1.00 0.00 H new ATOM 546 N TYR A 33 8.864 5.378 4.010 1.00 0.00 N ATOM 547 CA TYR A 33 9.385 6.089 2.849 1.00 0.00 C ATOM 548 C TYR A 33 8.784 7.488 2.752 1.00 0.00 C ATOM 549 O TYR A 33 9.504 8.478 2.634 1.00 0.00 O ATOM 550 CB TYR A 33 9.089 5.305 1.570 1.00 0.00 C ATOM 551 CG TYR A 33 9.736 3.939 1.533 1.00 0.00 C ATOM 552 CD1 TYR A 33 9.099 2.832 2.081 1.00 0.00 C ATOM 553 CD2 TYR A 33 10.984 3.754 0.952 1.00 0.00 C ATOM 554 CE1 TYR A 33 9.686 1.582 2.051 1.00 0.00 C ATOM 555 CE2 TYR A 33 11.578 2.508 0.916 1.00 0.00 C ATOM 556 CZ TYR A 33 10.925 1.425 1.467 1.00 0.00 C ATOM 557 OH TYR A 33 11.515 0.182 1.434 1.00 0.00 O ATOM 0 H TYR A 33 7.997 4.869 3.838 1.00 0.00 H new ATOM 0 HA TYR A 33 10.464 6.184 2.967 1.00 0.00 H new ATOM 0 HB2 TYR A 33 8.010 5.190 1.466 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.432 5.883 0.712 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.128 2.951 2.538 1.00 0.00 H new ATOM 0 HD2 TYR A 33 11.499 4.600 0.521 1.00 0.00 H new ATOM 0 HE1 TYR A 33 9.177 0.733 2.483 1.00 0.00 H new ATOM 0 HE2 TYR A 33 12.548 2.382 0.459 1.00 0.00 H new ATOM 0 HH TYR A 33 12.385 0.244 0.987 1.00 0.00 H new ATOM 567 N GLY A 34 7.457 7.560 2.804 1.00 0.00 N ATOM 568 CA GLY A 34 6.780 8.841 2.722 1.00 0.00 C ATOM 569 C GLY A 34 5.576 8.921 3.639 1.00 0.00 C ATOM 570 O GLY A 34 4.864 7.935 3.824 1.00 0.00 O ATOM 0 H GLY A 34 6.839 6.754 2.901 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.481 9.636 2.978 1.00 0.00 H new ATOM 0 HA3 GLY A 34 6.462 9.015 1.694 1.00 0.00 H new ATOM 574 N GLU A 35 5.350 10.097 4.215 1.00 0.00 N ATOM 575 CA GLU A 35 4.225 10.300 5.120 1.00 0.00 C ATOM 576 C GLU A 35 2.913 9.889 4.458 1.00 0.00 C ATOM 577 O GLU A 35 2.340 10.642 3.670 1.00 0.00 O ATOM 578 CB GLU A 35 4.151 11.764 5.558 1.00 0.00 C ATOM 579 CG GLU A 35 2.811 12.152 6.160 1.00 0.00 C ATOM 580 CD GLU A 35 2.929 13.276 7.172 1.00 0.00 C ATOM 581 OE1 GLU A 35 3.837 14.119 7.019 1.00 0.00 O ATOM 582 OE2 GLU A 35 2.113 13.311 8.116 1.00 0.00 O ATOM 0 H GLU A 35 5.931 10.923 4.071 1.00 0.00 H new ATOM 0 HA GLU A 35 4.381 9.673 5.998 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.937 11.956 6.288 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.352 12.402 4.698 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.133 12.456 5.362 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.367 11.280 6.641 1.00 0.00 H new ATOM 589 N VAL A 36 2.443 8.688 4.782 1.00 0.00 N ATOM 590 CA VAL A 36 1.199 8.177 4.220 1.00 0.00 C ATOM 591 C VAL A 36 0.012 9.037 4.637 1.00 0.00 C ATOM 592 O VAL A 36 -0.213 9.271 5.825 1.00 0.00 O ATOM 593 CB VAL A 36 0.943 6.722 4.656 1.00 0.00 C ATOM 594 CG1 VAL A 36 -0.411 6.244 4.153 1.00 0.00 C ATOM 595 CG2 VAL A 36 2.057 5.813 4.160 1.00 0.00 C ATOM 0 H VAL A 36 2.905 8.051 5.431 1.00 0.00 H new ATOM 0 HA VAL A 36 1.304 8.211 3.136 1.00 0.00 H new ATOM 0 HB VAL A 36 0.933 6.684 5.745 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.574 5.214 4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.196 6.879 4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -0.434 6.296 3.064 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.860 4.789 4.477 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.102 5.853 3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.009 6.144 4.575 1.00 0.00 H new ATOM 605 N VAL A 37 -0.747 9.507 3.652 1.00 0.00 N ATOM 606 CA VAL A 37 -1.913 10.342 3.916 1.00 0.00 C ATOM 607 C VAL A 37 -3.199 9.527 3.843 1.00 0.00 C ATOM 608 O VAL A 37 -4.149 9.779 4.585 1.00 0.00 O ATOM 609 CB VAL A 37 -2.002 11.513 2.920 1.00 0.00 C ATOM 610 CG1 VAL A 37 -2.880 12.623 3.478 1.00 0.00 C ATOM 611 CG2 VAL A 37 -0.613 12.037 2.588 1.00 0.00 C ATOM 0 H VAL A 37 -0.575 9.324 2.663 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.796 10.741 4.924 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.458 11.150 1.999 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.931 13.442 2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.883 12.237 3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.456 12.987 4.414 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.695 12.864 1.883 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.128 12.384 3.500 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.020 11.238 2.143 1.00 0.00 H new ATOM 621 N ASP A 38 -3.223 8.549 2.944 1.00 0.00 N ATOM 622 CA ASP A 38 -4.393 7.696 2.774 1.00 0.00 C ATOM 623 C ASP A 38 -4.033 6.426 2.010 1.00 0.00 C ATOM 624 O ASP A 38 -3.553 6.486 0.877 1.00 0.00 O ATOM 625 CB ASP A 38 -5.500 8.452 2.039 1.00 0.00 C ATOM 626 CG ASP A 38 -6.885 7.970 2.424 1.00 0.00 C ATOM 627 OD1 ASP A 38 -7.182 7.926 3.636 1.00 0.00 O ATOM 628 OD2 ASP A 38 -7.672 7.635 1.513 1.00 0.00 O ATOM 0 H ASP A 38 -2.446 8.327 2.322 1.00 0.00 H new ATOM 0 HA ASP A 38 -4.753 7.414 3.763 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -5.415 9.517 2.257 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -5.364 8.335 0.964 1.00 0.00 H new ATOM 633 N CYS A 39 -4.265 5.278 2.636 1.00 0.00 N ATOM 634 CA CYS A 39 -3.963 3.993 2.016 1.00 0.00 C ATOM 635 C CYS A 39 -5.244 3.249 1.653 1.00 0.00 C ATOM 636 O CYS A 39 -6.219 3.267 2.406 1.00 0.00 O ATOM 637 CB CYS A 39 -3.110 3.138 2.954 1.00 0.00 C ATOM 638 SG CYS A 39 -2.785 1.468 2.340 1.00 0.00 S ATOM 0 H CYS A 39 -4.662 5.211 3.573 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.403 4.183 1.100 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -2.159 3.643 3.124 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.610 3.068 3.920 1.00 0.00 H new ATOM 0 HG CYS A 39 -1.587 1.416 1.837 1.00 0.00 H new ATOM 644 N VAL A 40 -5.237 2.597 0.495 1.00 0.00 N ATOM 645 CA VAL A 40 -6.399 1.848 0.032 1.00 0.00 C ATOM 646 C VAL A 40 -5.990 0.489 -0.525 1.00 0.00 C ATOM 647 O VAL A 40 -4.943 0.357 -1.161 1.00 0.00 O ATOM 648 CB VAL A 40 -7.171 2.623 -1.051 1.00 0.00 C ATOM 649 CG1 VAL A 40 -8.451 1.890 -1.422 1.00 0.00 C ATOM 650 CG2 VAL A 40 -7.475 4.037 -0.580 1.00 0.00 C ATOM 0 H VAL A 40 -4.439 2.572 -0.140 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.047 1.703 0.896 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.546 2.688 -1.942 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.983 2.453 -2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -8.205 0.899 -1.804 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -9.083 1.792 -0.539 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -8.021 4.570 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.080 3.997 0.325 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.542 4.559 -0.369 1.00 0.00 H new ATOM 660 N ILE A 41 -6.822 -0.518 -0.282 1.00 0.00 N ATOM 661 CA ILE A 41 -6.547 -1.867 -0.761 1.00 0.00 C ATOM 662 C ILE A 41 -7.785 -2.486 -1.402 1.00 0.00 C ATOM 663 O ILE A 41 -8.697 -2.934 -0.709 1.00 0.00 O ATOM 664 CB ILE A 41 -6.062 -2.782 0.379 1.00 0.00 C ATOM 665 CG1 ILE A 41 -4.684 -2.335 0.869 1.00 0.00 C ATOM 666 CG2 ILE A 41 -6.021 -4.230 -0.085 1.00 0.00 C ATOM 667 CD1 ILE A 41 -4.109 -3.224 1.950 1.00 0.00 C ATOM 0 H ILE A 41 -7.691 -0.425 0.243 1.00 0.00 H new ATOM 0 HA ILE A 41 -5.758 -1.781 -1.508 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.764 -2.707 1.209 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -3.996 -2.313 0.024 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.755 -1.316 1.248 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.676 -4.864 0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.020 -4.543 -0.391 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.338 -4.322 -0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.131 -2.847 2.249 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.776 -3.227 2.812 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.005 -4.240 1.569 1.00 0.00 H new ATOM 679 N MET A 42 -7.808 -2.507 -2.731 1.00 0.00 N ATOM 680 CA MET A 42 -8.933 -3.074 -3.466 1.00 0.00 C ATOM 681 C MET A 42 -9.195 -4.513 -3.034 1.00 0.00 C ATOM 682 O MET A 42 -8.276 -5.329 -2.965 1.00 0.00 O ATOM 683 CB MET A 42 -8.665 -3.022 -4.971 1.00 0.00 C ATOM 684 CG MET A 42 -8.381 -1.621 -5.490 1.00 0.00 C ATOM 685 SD MET A 42 -9.882 -0.732 -5.946 1.00 0.00 S ATOM 686 CE MET A 42 -10.113 0.304 -4.503 1.00 0.00 C ATOM 0 H MET A 42 -7.061 -2.138 -3.320 1.00 0.00 H new ATOM 0 HA MET A 42 -9.818 -2.479 -3.241 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.816 -3.665 -5.203 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.527 -3.429 -5.500 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.847 -1.056 -4.726 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.724 -1.685 -6.357 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.179 0.450 -4.327 1.00 0.00 H new ATOM 0 HE2 MET A 42 -9.665 -0.177 -3.634 1.00 0.00 H new ATOM 0 HE3 MET A 42 -9.636 1.270 -4.669 1.00 0.00 H new ATOM 696 N LYS A 43 -10.455 -4.819 -2.743 1.00 0.00 N ATOM 697 CA LYS A 43 -10.840 -6.160 -2.318 1.00 0.00 C ATOM 698 C LYS A 43 -11.956 -6.710 -3.200 1.00 0.00 C ATOM 699 O LYS A 43 -12.535 -5.986 -4.010 1.00 0.00 O ATOM 700 CB LYS A 43 -11.290 -6.144 -0.856 1.00 0.00 C ATOM 701 CG LYS A 43 -10.153 -6.334 0.133 1.00 0.00 C ATOM 702 CD LYS A 43 -10.484 -5.727 1.486 1.00 0.00 C ATOM 703 CE LYS A 43 -9.453 -6.111 2.536 1.00 0.00 C ATOM 704 NZ LYS A 43 -9.439 -7.579 2.789 1.00 0.00 N ATOM 0 H LYS A 43 -11.228 -4.155 -2.794 1.00 0.00 H new ATOM 0 HA LYS A 43 -9.970 -6.810 -2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.787 -5.196 -0.648 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.028 -6.931 -0.703 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.946 -7.398 0.251 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.246 -5.875 -0.261 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.528 -4.641 1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.471 -6.062 1.804 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.464 -5.789 2.209 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.668 -5.584 3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -9.460 -7.755 3.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.273 -8.016 2.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -8.575 -7.993 2.384 1.00 0.00 H new ATOM 718 N ASP A 44 -12.255 -7.994 -3.035 1.00 0.00 N ATOM 719 CA ASP A 44 -13.304 -8.641 -3.814 1.00 0.00 C ATOM 720 C ASP A 44 -14.684 -8.193 -3.344 1.00 0.00 C ATOM 721 O ASP A 44 -14.818 -7.537 -2.311 1.00 0.00 O ATOM 722 CB ASP A 44 -13.184 -10.162 -3.707 1.00 0.00 C ATOM 723 CG ASP A 44 -14.192 -10.885 -4.578 1.00 0.00 C ATOM 724 OD1 ASP A 44 -14.294 -10.544 -5.775 1.00 0.00 O ATOM 725 OD2 ASP A 44 -14.880 -11.792 -4.064 1.00 0.00 O ATOM 0 H ASP A 44 -11.786 -8.607 -2.369 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.182 -8.347 -4.857 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.177 -10.465 -3.994 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -13.324 -10.462 -2.669 1.00 0.00 H new ATOM 730 N LYS A 45 -15.710 -8.551 -4.110 1.00 0.00 N ATOM 731 CA LYS A 45 -17.081 -8.187 -3.773 1.00 0.00 C ATOM 732 C LYS A 45 -17.638 -9.107 -2.692 1.00 0.00 C ATOM 733 O LYS A 45 -18.211 -8.647 -1.704 1.00 0.00 O ATOM 734 CB LYS A 45 -17.967 -8.249 -5.018 1.00 0.00 C ATOM 735 CG LYS A 45 -19.439 -8.005 -4.730 1.00 0.00 C ATOM 736 CD LYS A 45 -20.140 -7.364 -5.916 1.00 0.00 C ATOM 737 CE LYS A 45 -21.634 -7.648 -5.900 1.00 0.00 C ATOM 738 NZ LYS A 45 -22.336 -6.868 -4.843 1.00 0.00 N ATOM 0 H LYS A 45 -15.617 -9.093 -4.969 1.00 0.00 H new ATOM 0 HA LYS A 45 -17.076 -7.167 -3.389 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -17.619 -7.509 -5.739 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -17.854 -9.227 -5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -19.925 -8.950 -4.486 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -19.538 -7.361 -3.856 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -19.973 -6.287 -5.900 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -19.707 -7.740 -6.843 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -22.060 -7.406 -6.874 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -21.799 -8.713 -5.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -23.352 -7.090 -4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -21.947 -7.118 -3.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -22.200 -5.851 -5.014 1.00 0.00 H new ATOM 752 N THR A 46 -17.467 -10.412 -2.886 1.00 0.00 N ATOM 753 CA THR A 46 -17.953 -11.397 -1.928 1.00 0.00 C ATOM 754 C THR A 46 -16.849 -11.819 -0.965 1.00 0.00 C ATOM 755 O THR A 46 -16.974 -11.658 0.249 1.00 0.00 O ATOM 756 CB THR A 46 -18.504 -12.647 -2.639 1.00 0.00 C ATOM 757 OG1 THR A 46 -19.432 -12.261 -3.659 1.00 0.00 O ATOM 758 CG2 THR A 46 -19.190 -13.575 -1.648 1.00 0.00 C ATOM 0 H THR A 46 -16.996 -10.810 -3.698 1.00 0.00 H new ATOM 0 HA THR A 46 -18.758 -10.922 -1.367 1.00 0.00 H new ATOM 0 HB THR A 46 -17.667 -13.179 -3.092 1.00 0.00 H new ATOM 0 HG1 THR A 46 -19.777 -13.061 -4.108 1.00 0.00 H new ATOM 0 HG21 THR A 46 -19.571 -14.451 -2.173 1.00 0.00 H new ATOM 0 HG22 THR A 46 -18.474 -13.890 -0.889 1.00 0.00 H new ATOM 0 HG23 THR A 46 -20.017 -13.050 -1.170 1.00 0.00 H new ATOM 766 N THR A 47 -15.766 -12.360 -1.515 1.00 0.00 N ATOM 767 CA THR A 47 -14.639 -12.806 -0.705 1.00 0.00 C ATOM 768 C THR A 47 -14.013 -11.641 0.054 1.00 0.00 C ATOM 769 O THR A 47 -13.389 -11.832 1.097 1.00 0.00 O ATOM 770 CB THR A 47 -13.558 -13.480 -1.570 1.00 0.00 C ATOM 771 OG1 THR A 47 -14.172 -14.287 -2.581 1.00 0.00 O ATOM 772 CG2 THR A 47 -12.641 -14.342 -0.714 1.00 0.00 C ATOM 0 H THR A 47 -15.646 -12.500 -2.518 1.00 0.00 H new ATOM 0 HA THR A 47 -15.029 -13.533 0.007 1.00 0.00 H new ATOM 0 HB THR A 47 -12.962 -12.699 -2.042 1.00 0.00 H new ATOM 0 HG1 THR A 47 -14.397 -13.728 -3.354 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.885 -14.808 -1.346 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.153 -13.720 0.036 1.00 0.00 H new ATOM 0 HG23 THR A 47 -13.227 -15.116 -0.218 1.00 0.00 H new ATOM 780 N ASN A 48 -14.185 -10.435 -0.476 1.00 0.00 N ATOM 781 CA ASN A 48 -13.636 -9.239 0.153 1.00 0.00 C ATOM 782 C ASN A 48 -12.173 -9.446 0.532 1.00 0.00 C ATOM 783 O ASN A 48 -11.759 -9.124 1.645 1.00 0.00 O ATOM 784 CB ASN A 48 -14.449 -8.872 1.396 1.00 0.00 C ATOM 785 CG ASN A 48 -15.744 -8.161 1.051 1.00 0.00 C ATOM 786 OD1 ASN A 48 -15.733 -7.027 0.574 1.00 0.00 O ATOM 787 ND2 ASN A 48 -16.867 -8.827 1.294 1.00 0.00 N ATOM 0 H ASN A 48 -14.700 -10.260 -1.339 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.695 -8.422 -0.566 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -14.674 -9.777 1.960 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -13.849 -8.233 2.044 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -17.769 -8.400 1.084 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -16.827 -9.766 1.691 1.00 0.00 H new ATOM 794 N GLN A 49 -11.396 -9.985 -0.403 1.00 0.00 N ATOM 795 CA GLN A 49 -9.979 -10.235 -0.166 1.00 0.00 C ATOM 796 C GLN A 49 -9.116 -9.424 -1.127 1.00 0.00 C ATOM 797 O GLN A 49 -9.368 -9.397 -2.332 1.00 0.00 O ATOM 798 CB GLN A 49 -9.670 -11.725 -0.318 1.00 0.00 C ATOM 799 CG GLN A 49 -10.184 -12.573 0.834 1.00 0.00 C ATOM 800 CD GLN A 49 -9.646 -12.121 2.177 1.00 0.00 C ATOM 801 OE1 GLN A 49 -8.614 -11.453 2.252 1.00 0.00 O ATOM 802 NE2 GLN A 49 -10.343 -12.484 3.247 1.00 0.00 N ATOM 0 H GLN A 49 -11.724 -10.256 -1.330 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.746 -9.925 0.853 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -10.109 -12.086 -1.248 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.591 -11.857 -0.403 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.273 -12.534 0.851 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.905 -13.613 0.667 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.193 -13.038 3.138 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.029 -12.209 4.178 1.00 0.00 H new ATOM 811 N SER A 50 -8.097 -8.763 -0.586 1.00 0.00 N ATOM 812 CA SER A 50 -7.198 -7.948 -1.395 1.00 0.00 C ATOM 813 C SER A 50 -6.829 -8.667 -2.689 1.00 0.00 C ATOM 814 O SER A 50 -5.932 -9.510 -2.710 1.00 0.00 O ATOM 815 CB SER A 50 -5.932 -7.611 -0.606 1.00 0.00 C ATOM 816 OG SER A 50 -4.880 -7.222 -1.473 1.00 0.00 O ATOM 0 H SER A 50 -7.874 -8.776 0.409 1.00 0.00 H new ATOM 0 HA SER A 50 -7.716 -7.023 -1.649 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.142 -6.807 0.099 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.623 -8.477 -0.020 1.00 0.00 H new ATOM 0 HG SER A 50 -4.082 -7.010 -0.945 1.00 0.00 H new ATOM 822 N ARG A 51 -7.529 -8.328 -3.767 1.00 0.00 N ATOM 823 CA ARG A 51 -7.276 -8.941 -5.066 1.00 0.00 C ATOM 824 C ARG A 51 -5.780 -9.001 -5.357 1.00 0.00 C ATOM 825 O ARG A 51 -5.286 -9.975 -5.924 1.00 0.00 O ATOM 826 CB ARG A 51 -7.991 -8.160 -6.170 1.00 0.00 C ATOM 827 CG ARG A 51 -9.465 -8.504 -6.303 1.00 0.00 C ATOM 828 CD ARG A 51 -10.271 -7.315 -6.803 1.00 0.00 C ATOM 829 NE ARG A 51 -10.250 -7.214 -8.260 1.00 0.00 N ATOM 830 CZ ARG A 51 -11.020 -6.379 -8.950 1.00 0.00 C ATOM 831 NH1 ARG A 51 -11.867 -5.578 -8.318 1.00 0.00 N ATOM 832 NH2 ARG A 51 -10.943 -6.345 -10.274 1.00 0.00 N ATOM 0 H ARG A 51 -8.275 -7.633 -3.767 1.00 0.00 H new ATOM 0 HA ARG A 51 -7.664 -9.959 -5.041 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -7.892 -7.093 -5.971 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -7.494 -8.354 -7.121 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -9.584 -9.341 -6.991 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -9.853 -8.828 -5.337 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -11.302 -7.406 -6.461 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.871 -6.398 -6.370 1.00 0.00 H new ATOM 0 HE ARG A 51 -9.609 -7.817 -8.776 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -11.929 -5.602 -7.300 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -12.457 -4.938 -8.850 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -10.293 -6.960 -10.763 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.534 -5.704 -10.803 1.00 0.00 H new ATOM 846 N GLY A 52 -5.063 -7.952 -4.966 1.00 0.00 N ATOM 847 CA GLY A 52 -3.631 -7.905 -5.194 1.00 0.00 C ATOM 848 C GLY A 52 -3.167 -6.551 -5.694 1.00 0.00 C ATOM 849 O GLY A 52 -2.221 -6.461 -6.477 1.00 0.00 O ATOM 0 H GLY A 52 -5.449 -7.134 -4.495 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.111 -8.144 -4.267 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.357 -8.670 -5.920 1.00 0.00 H new ATOM 853 N PHE A 53 -3.836 -5.495 -5.244 1.00 0.00 N ATOM 854 CA PHE A 53 -3.489 -4.139 -5.653 1.00 0.00 C ATOM 855 C PHE A 53 -4.277 -3.110 -4.847 1.00 0.00 C ATOM 856 O PHE A 53 -5.330 -3.415 -4.290 1.00 0.00 O ATOM 857 CB PHE A 53 -3.759 -3.950 -7.147 1.00 0.00 C ATOM 858 CG PHE A 53 -5.189 -4.197 -7.534 1.00 0.00 C ATOM 859 CD1 PHE A 53 -5.654 -5.487 -7.732 1.00 0.00 C ATOM 860 CD2 PHE A 53 -6.069 -3.139 -7.698 1.00 0.00 C ATOM 861 CE1 PHE A 53 -6.970 -5.717 -8.088 1.00 0.00 C ATOM 862 CE2 PHE A 53 -7.386 -3.362 -8.055 1.00 0.00 C ATOM 863 CZ PHE A 53 -7.837 -4.653 -8.249 1.00 0.00 C ATOM 0 H PHE A 53 -4.622 -5.552 -4.596 1.00 0.00 H new ATOM 0 HA PHE A 53 -2.427 -3.988 -5.461 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.484 -2.934 -7.432 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.116 -4.625 -7.712 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -4.981 -6.322 -7.607 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -5.722 -2.128 -7.545 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -7.320 -6.727 -8.240 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.061 -2.528 -8.182 1.00 0.00 H new ATOM 0 HZ PHE A 53 -8.866 -4.831 -8.526 1.00 0.00 H new ATOM 873 N GLY A 54 -3.757 -1.887 -4.791 1.00 0.00 N ATOM 874 CA GLY A 54 -4.423 -0.831 -4.052 1.00 0.00 C ATOM 875 C GLY A 54 -3.898 0.546 -4.407 1.00 0.00 C ATOM 876 O GLY A 54 -3.616 0.829 -5.571 1.00 0.00 O ATOM 0 H GLY A 54 -2.886 -1.609 -5.244 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.494 -0.871 -4.253 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.292 -1.002 -2.983 1.00 0.00 H new ATOM 880 N PHE A 55 -3.767 1.405 -3.401 1.00 0.00 N ATOM 881 CA PHE A 55 -3.275 2.761 -3.614 1.00 0.00 C ATOM 882 C PHE A 55 -2.679 3.330 -2.330 1.00 0.00 C ATOM 883 O PHE A 55 -2.994 2.875 -1.230 1.00 0.00 O ATOM 884 CB PHE A 55 -4.405 3.665 -4.109 1.00 0.00 C ATOM 885 CG PHE A 55 -5.016 3.207 -5.403 1.00 0.00 C ATOM 886 CD1 PHE A 55 -6.020 2.253 -5.411 1.00 0.00 C ATOM 887 CD2 PHE A 55 -4.585 3.731 -6.611 1.00 0.00 C ATOM 888 CE1 PHE A 55 -6.583 1.829 -6.600 1.00 0.00 C ATOM 889 CE2 PHE A 55 -5.145 3.311 -7.804 1.00 0.00 C ATOM 890 CZ PHE A 55 -6.146 2.360 -7.798 1.00 0.00 C ATOM 0 H PHE A 55 -3.995 1.186 -2.431 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.493 2.722 -4.372 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -5.182 3.712 -3.346 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.021 4.677 -4.236 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -6.367 1.836 -4.477 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -3.803 4.476 -6.621 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -7.364 1.083 -6.592 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.800 3.726 -8.739 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.586 2.032 -8.728 1.00 0.00 H new ATOM 900 N VAL A 56 -1.814 4.329 -2.478 1.00 0.00 N ATOM 901 CA VAL A 56 -1.174 4.962 -1.331 1.00 0.00 C ATOM 902 C VAL A 56 -0.915 6.442 -1.593 1.00 0.00 C ATOM 903 O VAL A 56 -0.224 6.803 -2.546 1.00 0.00 O ATOM 904 CB VAL A 56 0.159 4.273 -0.982 1.00 0.00 C ATOM 905 CG1 VAL A 56 0.840 4.985 0.177 1.00 0.00 C ATOM 906 CG2 VAL A 56 -0.070 2.805 -0.656 1.00 0.00 C ATOM 0 H VAL A 56 -1.541 4.717 -3.381 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.859 4.860 -0.490 1.00 0.00 H new ATOM 0 HB VAL A 56 0.816 4.331 -1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.780 4.485 0.410 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.039 6.021 -0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.190 4.961 1.052 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.882 2.334 -0.412 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.745 2.722 0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.512 2.305 -1.518 1.00 0.00 H new ATOM 916 N LYS A 57 -1.474 7.294 -0.741 1.00 0.00 N ATOM 917 CA LYS A 57 -1.303 8.736 -0.878 1.00 0.00 C ATOM 918 C LYS A 57 -0.117 9.224 -0.054 1.00 0.00 C ATOM 919 O LYS A 57 0.152 8.709 1.032 1.00 0.00 O ATOM 920 CB LYS A 57 -2.576 9.465 -0.441 1.00 0.00 C ATOM 921 CG LYS A 57 -2.805 10.778 -1.168 1.00 0.00 C ATOM 922 CD LYS A 57 -3.894 11.602 -0.502 1.00 0.00 C ATOM 923 CE LYS A 57 -3.795 13.071 -0.885 1.00 0.00 C ATOM 924 NZ LYS A 57 -4.649 13.929 -0.017 1.00 0.00 N ATOM 0 H LYS A 57 -2.050 7.011 0.052 1.00 0.00 H new ATOM 0 HA LYS A 57 -1.108 8.955 -1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.433 8.813 -0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.525 9.657 0.631 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.877 11.349 -1.190 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.081 10.578 -2.203 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.872 11.215 -0.790 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.817 11.501 0.581 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.758 13.397 -0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -4.094 13.196 -1.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.554 14.922 -0.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.642 13.635 -0.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.348 13.830 0.973 1.00 0.00 H new ATOM 938 N PHE A 58 0.590 10.221 -0.575 1.00 0.00 N ATOM 939 CA PHE A 58 1.748 10.780 0.113 1.00 0.00 C ATOM 940 C PHE A 58 1.615 12.292 0.263 1.00 0.00 C ATOM 941 O PHE A 58 1.362 13.004 -0.709 1.00 0.00 O ATOM 942 CB PHE A 58 3.032 10.442 -0.648 1.00 0.00 C ATOM 943 CG PHE A 58 3.509 9.036 -0.426 1.00 0.00 C ATOM 944 CD1 PHE A 58 4.241 8.709 0.705 1.00 0.00 C ATOM 945 CD2 PHE A 58 3.226 8.040 -1.347 1.00 0.00 C ATOM 946 CE1 PHE A 58 4.681 7.415 0.911 1.00 0.00 C ATOM 947 CE2 PHE A 58 3.664 6.745 -1.145 1.00 0.00 C ATOM 948 CZ PHE A 58 4.392 6.432 -0.014 1.00 0.00 C ATOM 0 H PHE A 58 0.381 10.659 -1.472 1.00 0.00 H new ATOM 0 HA PHE A 58 1.796 10.338 1.108 1.00 0.00 H new ATOM 0 HB2 PHE A 58 2.864 10.596 -1.714 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.817 11.135 -0.346 1.00 0.00 H new ATOM 0 HD1 PHE A 58 4.470 9.473 1.433 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.656 8.279 -2.233 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.251 7.173 1.796 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.437 5.978 -1.871 1.00 0.00 H new ATOM 0 HZ PHE A 58 4.734 5.420 0.146 1.00 0.00 H new ATOM 958 N LYS A 59 1.787 12.776 1.488 1.00 0.00 N ATOM 959 CA LYS A 59 1.687 14.204 1.769 1.00 0.00 C ATOM 960 C LYS A 59 2.383 15.021 0.685 1.00 0.00 C ATOM 961 O LYS A 59 1.898 16.078 0.283 1.00 0.00 O ATOM 962 CB LYS A 59 2.299 14.520 3.135 1.00 0.00 C ATOM 963 CG LYS A 59 1.851 15.853 3.708 1.00 0.00 C ATOM 964 CD LYS A 59 1.913 15.856 5.227 1.00 0.00 C ATOM 965 CE LYS A 59 1.771 17.263 5.787 1.00 0.00 C ATOM 966 NZ LYS A 59 3.076 17.979 5.826 1.00 0.00 N ATOM 0 H LYS A 59 1.997 12.200 2.303 1.00 0.00 H new ATOM 0 HA LYS A 59 0.631 14.474 1.781 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.035 13.726 3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.385 14.519 3.046 1.00 0.00 H new ATOM 0 HG2 LYS A 59 2.483 16.650 3.316 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.832 16.065 3.384 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.121 15.223 5.626 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.860 15.427 5.555 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.065 17.827 5.177 1.00 0.00 H new ATOM 0 HE3 LYS A 59 1.354 17.213 6.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.937 18.934 6.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.742 17.454 6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.462 18.049 4.863 1.00 0.00 H new ATOM 980 N ASP A 60 3.522 14.523 0.216 1.00 0.00 N ATOM 981 CA ASP A 60 4.285 15.206 -0.823 1.00 0.00 C ATOM 982 C ASP A 60 4.433 14.323 -2.057 1.00 0.00 C ATOM 983 O ASP A 60 4.626 13.111 -1.964 1.00 0.00 O ATOM 984 CB ASP A 60 5.664 15.603 -0.295 1.00 0.00 C ATOM 985 CG ASP A 60 6.197 16.860 -0.956 1.00 0.00 C ATOM 986 OD1 ASP A 60 5.586 17.933 -0.770 1.00 0.00 O ATOM 987 OD2 ASP A 60 7.226 16.770 -1.657 1.00 0.00 O ATOM 0 H ASP A 60 3.937 13.649 0.539 1.00 0.00 H new ATOM 0 HA ASP A 60 3.741 16.107 -1.107 1.00 0.00 H new ATOM 0 HB2 ASP A 60 5.606 15.759 0.782 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.363 14.784 -0.462 1.00 0.00 H new ATOM 992 N PRO A 61 4.339 14.943 -3.243 1.00 0.00 N ATOM 993 CA PRO A 61 4.459 14.232 -4.520 1.00 0.00 C ATOM 994 C PRO A 61 5.879 13.740 -4.778 1.00 0.00 C ATOM 995 O PRO A 61 6.156 13.128 -5.809 1.00 0.00 O ATOM 996 CB PRO A 61 4.063 15.289 -5.553 1.00 0.00 C ATOM 997 CG PRO A 61 4.364 16.592 -4.897 1.00 0.00 C ATOM 998 CD PRO A 61 4.109 16.385 -3.430 1.00 0.00 C ATOM 0 HA PRO A 61 3.839 13.336 -4.548 1.00 0.00 H new ATOM 0 HB2 PRO A 61 4.629 15.171 -6.477 1.00 0.00 H new ATOM 0 HB3 PRO A 61 3.007 15.212 -5.814 1.00 0.00 H new ATOM 0 HG2 PRO A 61 5.397 16.889 -5.075 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.731 17.385 -5.295 1.00 0.00 H new ATOM 0 HD2 PRO A 61 4.784 16.982 -2.817 1.00 0.00 H new ATOM 0 HD3 PRO A 61 3.093 16.669 -3.155 1.00 0.00 H new ATOM 1006 N ASN A 62 6.775 14.012 -3.835 1.00 0.00 N ATOM 1007 CA ASN A 62 8.168 13.597 -3.961 1.00 0.00 C ATOM 1008 C ASN A 62 8.373 12.199 -3.387 1.00 0.00 C ATOM 1009 O ASN A 62 9.246 11.454 -3.836 1.00 0.00 O ATOM 1010 CB ASN A 62 9.085 14.593 -3.249 1.00 0.00 C ATOM 1011 CG ASN A 62 10.499 14.571 -3.797 1.00 0.00 C ATOM 1012 OD1 ASN A 62 10.835 15.330 -4.706 1.00 0.00 O ATOM 1013 ND2 ASN A 62 11.334 13.699 -3.244 1.00 0.00 N ATOM 0 H ASN A 62 6.562 14.518 -2.975 1.00 0.00 H new ATOM 0 HA ASN A 62 8.420 13.575 -5.021 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.674 15.598 -3.351 1.00 0.00 H new ATOM 0 HB3 ASN A 62 9.108 14.364 -2.183 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.298 13.639 -3.571 1.00 0.00 H new ATOM 0 HD22 ASN A 62 11.011 13.090 -2.493 1.00 0.00 H new ATOM 1020 N CYS A 63 7.563 11.848 -2.394 1.00 0.00 N ATOM 1021 CA CYS A 63 7.656 10.539 -1.758 1.00 0.00 C ATOM 1022 C CYS A 63 7.518 9.423 -2.789 1.00 0.00 C ATOM 1023 O CYS A 63 8.230 8.420 -2.732 1.00 0.00 O ATOM 1024 CB CYS A 63 6.577 10.394 -0.684 1.00 0.00 C ATOM 1025 SG CYS A 63 6.720 11.581 0.672 1.00 0.00 S ATOM 0 H CYS A 63 6.835 12.452 -2.012 1.00 0.00 H new ATOM 0 HA CYS A 63 8.637 10.458 -1.290 1.00 0.00 H new ATOM 0 HB2 CYS A 63 5.598 10.507 -1.150 1.00 0.00 H new ATOM 0 HB3 CYS A 63 6.620 9.385 -0.275 1.00 0.00 H new ATOM 0 HG CYS A 63 5.654 11.524 1.413 1.00 0.00 H new ATOM 1031 N VAL A 64 6.596 9.603 -3.729 1.00 0.00 N ATOM 1032 CA VAL A 64 6.364 8.612 -4.772 1.00 0.00 C ATOM 1033 C VAL A 64 7.674 8.180 -5.421 1.00 0.00 C ATOM 1034 O VAL A 64 7.978 6.990 -5.498 1.00 0.00 O ATOM 1035 CB VAL A 64 5.418 9.153 -5.861 1.00 0.00 C ATOM 1036 CG1 VAL A 64 5.163 8.094 -6.922 1.00 0.00 C ATOM 1037 CG2 VAL A 64 4.111 9.627 -5.244 1.00 0.00 C ATOM 0 H VAL A 64 5.997 10.427 -3.789 1.00 0.00 H new ATOM 0 HA VAL A 64 5.898 7.751 -4.292 1.00 0.00 H new ATOM 0 HB VAL A 64 5.897 10.006 -6.342 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.493 8.495 -7.682 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.107 7.808 -7.385 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.706 7.219 -6.460 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.455 10.006 -6.028 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.625 8.794 -4.736 1.00 0.00 H new ATOM 0 HG23 VAL A 64 4.315 10.421 -4.526 1.00 0.00 H new ATOM 1047 N GLY A 65 8.447 9.155 -5.887 1.00 0.00 N ATOM 1048 CA GLY A 65 9.717 8.856 -6.524 1.00 0.00 C ATOM 1049 C GLY A 65 10.635 8.043 -5.632 1.00 0.00 C ATOM 1050 O GLY A 65 11.092 6.966 -6.015 1.00 0.00 O ATOM 0 H GLY A 65 8.217 10.147 -5.835 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.536 8.309 -7.449 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.212 9.788 -6.796 1.00 0.00 H new ATOM 1054 N THR A 66 10.908 8.560 -4.438 1.00 0.00 N ATOM 1055 CA THR A 66 11.779 7.877 -3.491 1.00 0.00 C ATOM 1056 C THR A 66 11.537 6.372 -3.507 1.00 0.00 C ATOM 1057 O THR A 66 12.479 5.582 -3.574 1.00 0.00 O ATOM 1058 CB THR A 66 11.573 8.403 -2.058 1.00 0.00 C ATOM 1059 OG1 THR A 66 11.926 9.789 -1.989 1.00 0.00 O ATOM 1060 CG2 THR A 66 12.411 7.611 -1.065 1.00 0.00 C ATOM 0 H THR A 66 10.538 9.450 -4.104 1.00 0.00 H new ATOM 0 HA THR A 66 12.804 8.081 -3.801 1.00 0.00 H new ATOM 0 HB THR A 66 10.521 8.283 -1.799 1.00 0.00 H new ATOM 0 HG1 THR A 66 11.791 10.116 -1.075 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.249 8.001 -0.060 1.00 0.00 H new ATOM 0 HG22 THR A 66 12.119 6.561 -1.099 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.466 7.703 -1.324 1.00 0.00 H new ATOM 1068 N VAL A 67 10.268 5.981 -3.447 1.00 0.00 N ATOM 1069 CA VAL A 67 9.902 4.569 -3.457 1.00 0.00 C ATOM 1070 C VAL A 67 10.186 3.937 -4.815 1.00 0.00 C ATOM 1071 O VAL A 67 10.726 2.833 -4.897 1.00 0.00 O ATOM 1072 CB VAL A 67 8.413 4.373 -3.114 1.00 0.00 C ATOM 1073 CG1 VAL A 67 8.026 2.908 -3.235 1.00 0.00 C ATOM 1074 CG2 VAL A 67 8.115 4.898 -1.717 1.00 0.00 C ATOM 0 H VAL A 67 9.476 6.622 -3.391 1.00 0.00 H new ATOM 0 HA VAL A 67 10.511 4.079 -2.697 1.00 0.00 H new ATOM 0 HB VAL A 67 7.816 4.942 -3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.971 2.789 -2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 67 8.201 2.569 -4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 67 8.628 2.315 -2.547 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.059 4.752 -1.491 1.00 0.00 H new ATOM 0 HG22 VAL A 67 8.720 4.358 -0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.352 5.961 -1.669 1.00 0.00 H new ATOM 1084 N LEU A 68 9.821 4.645 -5.878 1.00 0.00 N ATOM 1085 CA LEU A 68 10.038 4.154 -7.235 1.00 0.00 C ATOM 1086 C LEU A 68 11.501 3.780 -7.452 1.00 0.00 C ATOM 1087 O LEU A 68 11.817 2.923 -8.277 1.00 0.00 O ATOM 1088 CB LEU A 68 9.613 5.211 -8.255 1.00 0.00 C ATOM 1089 CG LEU A 68 8.114 5.502 -8.336 1.00 0.00 C ATOM 1090 CD1 LEU A 68 7.839 6.619 -9.331 1.00 0.00 C ATOM 1091 CD2 LEU A 68 7.346 4.244 -8.718 1.00 0.00 C ATOM 0 H LEU A 68 9.374 5.560 -5.827 1.00 0.00 H new ATOM 0 HA LEU A 68 9.430 3.260 -7.373 1.00 0.00 H new ATOM 0 HB2 LEU A 68 10.131 6.141 -8.022 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.955 4.894 -9.240 1.00 0.00 H new ATOM 0 HG LEU A 68 7.774 5.827 -7.353 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.767 6.812 -9.375 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.358 7.524 -9.015 1.00 0.00 H new ATOM 0 HD13 LEU A 68 8.195 6.323 -10.318 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.281 4.470 -8.771 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.690 3.888 -9.689 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.516 3.472 -7.968 1.00 0.00 H new ATOM 1103 N ALA A 69 12.388 4.428 -6.704 1.00 0.00 N ATOM 1104 CA ALA A 69 13.817 4.160 -6.812 1.00 0.00 C ATOM 1105 C ALA A 69 14.219 2.968 -5.951 1.00 0.00 C ATOM 1106 O ALA A 69 15.174 2.257 -6.265 1.00 0.00 O ATOM 1107 CB ALA A 69 14.616 5.393 -6.415 1.00 0.00 C ATOM 0 H ALA A 69 12.143 5.141 -6.018 1.00 0.00 H new ATOM 0 HA ALA A 69 14.038 3.915 -7.851 1.00 0.00 H new ATOM 0 HB1 ALA A 69 15.681 5.179 -6.500 1.00 0.00 H new ATOM 0 HB2 ALA A 69 14.358 6.222 -7.075 1.00 0.00 H new ATOM 0 HB3 ALA A 69 14.381 5.663 -5.385 1.00 0.00 H new ATOM 1113 N SER A 70 13.485 2.754 -4.864 1.00 0.00 N ATOM 1114 CA SER A 70 13.768 1.650 -3.955 1.00 0.00 C ATOM 1115 C SER A 70 13.341 0.319 -4.567 1.00 0.00 C ATOM 1116 O SER A 70 13.839 -0.740 -4.185 1.00 0.00 O ATOM 1117 CB SER A 70 13.050 1.863 -2.620 1.00 0.00 C ATOM 1118 OG SER A 70 13.531 0.967 -1.634 1.00 0.00 O ATOM 0 H SER A 70 12.689 3.331 -4.591 1.00 0.00 H new ATOM 0 HA SER A 70 14.844 1.622 -3.781 1.00 0.00 H new ATOM 0 HB2 SER A 70 13.196 2.890 -2.285 1.00 0.00 H new ATOM 0 HB3 SER A 70 11.978 1.720 -2.753 1.00 0.00 H new ATOM 0 HG SER A 70 12.911 0.952 -0.875 1.00 0.00 H new ATOM 1124 N ARG A 71 12.417 0.383 -5.520 1.00 0.00 N ATOM 1125 CA ARG A 71 11.922 -0.816 -6.185 1.00 0.00 C ATOM 1126 C ARG A 71 13.074 -1.741 -6.567 1.00 0.00 C ATOM 1127 O ARG A 71 14.212 -1.310 -6.755 1.00 0.00 O ATOM 1128 CB ARG A 71 11.122 -0.439 -7.433 1.00 0.00 C ATOM 1129 CG ARG A 71 9.683 -0.049 -7.139 1.00 0.00 C ATOM 1130 CD ARG A 71 9.018 0.584 -8.352 1.00 0.00 C ATOM 1131 NE ARG A 71 8.910 -0.353 -9.467 1.00 0.00 N ATOM 1132 CZ ARG A 71 8.715 0.023 -10.726 1.00 0.00 C ATOM 1133 NH1 ARG A 71 8.607 1.310 -11.028 1.00 0.00 N ATOM 1134 NH2 ARG A 71 8.628 -0.889 -11.686 1.00 0.00 N ATOM 0 H ARG A 71 11.996 1.252 -5.849 1.00 0.00 H new ATOM 0 HA ARG A 71 11.270 -1.344 -5.489 1.00 0.00 H new ATOM 0 HB2 ARG A 71 11.619 0.391 -7.936 1.00 0.00 H new ATOM 0 HB3 ARG A 71 11.127 -1.281 -8.126 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.121 -0.932 -6.834 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.658 0.650 -6.303 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.024 0.937 -8.078 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.591 1.457 -8.666 1.00 0.00 H new ATOM 0 HE ARG A 71 8.989 -1.350 -9.268 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.674 2.014 -10.293 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.457 1.596 -11.996 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.711 -1.880 -11.457 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.478 -0.599 -12.652 1.00 0.00 H new ATOM 1148 N PRO A 72 12.774 -3.043 -6.684 1.00 0.00 N ATOM 1149 CA PRO A 72 11.424 -3.567 -6.462 1.00 0.00 C ATOM 1150 C PRO A 72 11.011 -3.504 -4.995 1.00 0.00 C ATOM 1151 O PRO A 72 11.756 -3.006 -4.151 1.00 0.00 O ATOM 1152 CB PRO A 72 11.527 -5.023 -6.925 1.00 0.00 C ATOM 1153 CG PRO A 72 12.967 -5.370 -6.765 1.00 0.00 C ATOM 1154 CD PRO A 72 13.731 -4.104 -7.041 1.00 0.00 C ATOM 0 HA PRO A 72 10.670 -2.988 -6.995 1.00 0.00 H new ATOM 0 HB2 PRO A 72 10.893 -5.675 -6.324 1.00 0.00 H new ATOM 0 HB3 PRO A 72 11.206 -5.133 -7.961 1.00 0.00 H new ATOM 0 HG2 PRO A 72 13.171 -5.737 -5.759 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.257 -6.160 -7.458 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.639 -4.044 -6.442 1.00 0.00 H new ATOM 0 HD3 PRO A 72 14.034 -4.037 -8.086 1.00 0.00 H new ATOM 1162 N HIS A 73 9.819 -4.011 -4.698 1.00 0.00 N ATOM 1163 CA HIS A 73 9.307 -4.012 -3.332 1.00 0.00 C ATOM 1164 C HIS A 73 8.698 -5.366 -2.981 1.00 0.00 C ATOM 1165 O HIS A 73 8.390 -6.168 -3.863 1.00 0.00 O ATOM 1166 CB HIS A 73 8.263 -2.909 -3.155 1.00 0.00 C ATOM 1167 CG HIS A 73 8.857 -1.554 -2.918 1.00 0.00 C ATOM 1168 ND1 HIS A 73 9.023 -1.015 -1.659 1.00 0.00 N ATOM 1169 CD2 HIS A 73 9.328 -0.629 -3.787 1.00 0.00 C ATOM 1170 CE1 HIS A 73 9.568 0.183 -1.765 1.00 0.00 C ATOM 1171 NE2 HIS A 73 9.764 0.441 -3.045 1.00 0.00 N ATOM 0 H HIS A 73 9.189 -4.426 -5.385 1.00 0.00 H new ATOM 0 HA HIS A 73 10.142 -3.823 -2.657 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.633 -2.870 -4.044 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.615 -3.164 -2.316 1.00 0.00 H new ATOM 0 HD1 HIS A 73 8.765 -1.470 -0.784 1.00 0.00 H new ATOM 0 HD2 HIS A 73 9.356 -0.716 -4.863 1.00 0.00 H new ATOM 0 HE1 HIS A 73 9.812 0.841 -0.944 1.00 0.00 H new ATOM 1180 N THR A 74 8.527 -5.615 -1.686 1.00 0.00 N ATOM 1181 CA THR A 74 7.957 -6.872 -1.219 1.00 0.00 C ATOM 1182 C THR A 74 7.484 -6.758 0.226 1.00 0.00 C ATOM 1183 O THR A 74 8.293 -6.664 1.150 1.00 0.00 O ATOM 1184 CB THR A 74 8.974 -8.024 -1.324 1.00 0.00 C ATOM 1185 OG1 THR A 74 9.558 -8.045 -2.631 1.00 0.00 O ATOM 1186 CG2 THR A 74 8.309 -9.362 -1.038 1.00 0.00 C ATOM 0 H THR A 74 8.775 -4.962 -0.942 1.00 0.00 H new ATOM 0 HA THR A 74 7.104 -7.090 -1.862 1.00 0.00 H new ATOM 0 HB THR A 74 9.754 -7.859 -0.581 1.00 0.00 H new ATOM 0 HG1 THR A 74 8.950 -7.614 -3.268 1.00 0.00 H new ATOM 0 HG21 THR A 74 9.047 -10.160 -1.118 1.00 0.00 H new ATOM 0 HG22 THR A 74 7.892 -9.353 -0.031 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.510 -9.533 -1.760 1.00 0.00 H new ATOM 1194 N LEU A 75 6.169 -6.766 0.415 1.00 0.00 N ATOM 1195 CA LEU A 75 5.587 -6.663 1.749 1.00 0.00 C ATOM 1196 C LEU A 75 4.797 -7.921 2.096 1.00 0.00 C ATOM 1197 O LEU A 75 4.170 -8.531 1.230 1.00 0.00 O ATOM 1198 CB LEU A 75 4.679 -5.436 1.838 1.00 0.00 C ATOM 1199 CG LEU A 75 3.769 -5.361 3.065 1.00 0.00 C ATOM 1200 CD1 LEU A 75 4.592 -5.149 4.326 1.00 0.00 C ATOM 1201 CD2 LEU A 75 2.744 -4.249 2.902 1.00 0.00 C ATOM 0 H LEU A 75 5.486 -6.843 -0.338 1.00 0.00 H new ATOM 0 HA LEU A 75 6.401 -6.557 2.467 1.00 0.00 H new ATOM 0 HB2 LEU A 75 5.305 -4.544 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 75 4.055 -5.406 0.945 1.00 0.00 H new ATOM 0 HG LEU A 75 3.236 -6.307 3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 75 3.928 -5.098 5.189 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.287 -5.980 4.451 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.152 -4.217 4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.105 -4.211 3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.258 -3.295 2.784 1.00 0.00 H new ATOM 0 HD23 LEU A 75 2.133 -4.443 2.020 1.00 0.00 H new ATOM 1213 N ASP A 76 4.829 -8.301 3.368 1.00 0.00 N ATOM 1214 CA ASP A 76 4.114 -9.484 3.831 1.00 0.00 C ATOM 1215 C ASP A 76 4.457 -10.698 2.973 1.00 0.00 C ATOM 1216 O ASP A 76 3.577 -11.459 2.576 1.00 0.00 O ATOM 1217 CB ASP A 76 2.605 -9.236 3.805 1.00 0.00 C ATOM 1218 CG ASP A 76 2.092 -8.644 5.103 1.00 0.00 C ATOM 1219 OD1 ASP A 76 2.304 -9.266 6.165 1.00 0.00 O ATOM 1220 OD2 ASP A 76 1.481 -7.556 5.057 1.00 0.00 O ATOM 0 H ASP A 76 5.343 -7.807 4.097 1.00 0.00 H new ATOM 0 HA ASP A 76 4.424 -9.687 4.856 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.365 -8.563 2.982 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.089 -10.176 3.609 1.00 0.00 H new ATOM 1225 N GLY A 77 5.745 -10.871 2.691 1.00 0.00 N ATOM 1226 CA GLY A 77 6.182 -11.993 1.881 1.00 0.00 C ATOM 1227 C GLY A 77 5.465 -12.060 0.547 1.00 0.00 C ATOM 1228 O GLY A 77 5.325 -13.135 -0.037 1.00 0.00 O ATOM 0 H GLY A 77 6.493 -10.255 3.009 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.256 -11.917 1.709 1.00 0.00 H new ATOM 0 HA3 GLY A 77 6.012 -12.920 2.428 1.00 0.00 H new ATOM 1232 N ARG A 78 5.007 -10.909 0.065 1.00 0.00 N ATOM 1233 CA ARG A 78 4.297 -10.842 -1.207 1.00 0.00 C ATOM 1234 C ARG A 78 4.999 -9.892 -2.172 1.00 0.00 C ATOM 1235 O ARG A 78 5.404 -8.794 -1.793 1.00 0.00 O ATOM 1236 CB ARG A 78 2.853 -10.387 -0.985 1.00 0.00 C ATOM 1237 CG ARG A 78 2.112 -10.067 -2.273 1.00 0.00 C ATOM 1238 CD ARG A 78 1.363 -11.281 -2.801 1.00 0.00 C ATOM 1239 NE ARG A 78 2.264 -12.256 -3.411 1.00 0.00 N ATOM 1240 CZ ARG A 78 1.877 -13.146 -4.318 1.00 0.00 C ATOM 1241 NH1 ARG A 78 0.614 -13.184 -4.719 1.00 0.00 N ATOM 1242 NH2 ARG A 78 2.756 -14.001 -4.827 1.00 0.00 N ATOM 0 H ARG A 78 5.115 -10.011 0.536 1.00 0.00 H new ATOM 0 HA ARG A 78 4.293 -11.840 -1.646 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.313 -11.168 -0.449 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.853 -9.504 -0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.409 -9.253 -2.097 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.820 -9.720 -3.025 1.00 0.00 H new ATOM 0 HD2 ARG A 78 0.816 -11.753 -1.985 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.624 -10.960 -3.536 1.00 0.00 H new ATOM 0 HE ARG A 78 3.243 -12.253 -3.125 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.064 -12.528 -4.331 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.320 -13.869 -5.416 1.00 0.00 H new ATOM 0 HH21 ARG A 78 3.729 -13.975 -4.522 1.00 0.00 H new ATOM 0 HH22 ARG A 78 2.458 -14.684 -5.523 1.00 0.00 H new ATOM 1256 N ASN A 79 5.140 -10.323 -3.421 1.00 0.00 N ATOM 1257 CA ASN A 79 5.795 -9.512 -4.441 1.00 0.00 C ATOM 1258 C ASN A 79 4.874 -8.392 -4.919 1.00 0.00 C ATOM 1259 O ASN A 79 3.854 -8.646 -5.559 1.00 0.00 O ATOM 1260 CB ASN A 79 6.213 -10.384 -5.626 1.00 0.00 C ATOM 1261 CG ASN A 79 7.423 -9.830 -6.353 1.00 0.00 C ATOM 1262 OD1 ASN A 79 7.329 -9.402 -7.503 1.00 0.00 O ATOM 1263 ND2 ASN A 79 8.570 -9.837 -5.682 1.00 0.00 N ATOM 0 H ASN A 79 4.809 -11.230 -3.751 1.00 0.00 H new ATOM 0 HA ASN A 79 6.684 -9.064 -3.998 1.00 0.00 H new ATOM 0 HB2 ASN A 79 6.435 -11.391 -5.272 1.00 0.00 H new ATOM 0 HB3 ASN A 79 5.380 -10.467 -6.324 1.00 0.00 H new ATOM 0 HD21 ASN A 79 9.419 -9.478 -6.119 1.00 0.00 H new ATOM 0 HD22 ASN A 79 8.602 -10.202 -4.730 1.00 0.00 H new ATOM 1270 N ILE A 80 5.243 -7.155 -4.603 1.00 0.00 N ATOM 1271 CA ILE A 80 4.451 -5.998 -5.001 1.00 0.00 C ATOM 1272 C ILE A 80 5.298 -4.993 -5.774 1.00 0.00 C ATOM 1273 O ILE A 80 6.528 -5.040 -5.733 1.00 0.00 O ATOM 1274 CB ILE A 80 3.828 -5.295 -3.781 1.00 0.00 C ATOM 1275 CG1 ILE A 80 4.902 -4.541 -2.995 1.00 0.00 C ATOM 1276 CG2 ILE A 80 3.125 -6.308 -2.889 1.00 0.00 C ATOM 1277 CD1 ILE A 80 4.339 -3.546 -2.004 1.00 0.00 C ATOM 0 H ILE A 80 6.085 -6.929 -4.073 1.00 0.00 H new ATOM 0 HA ILE A 80 3.652 -6.368 -5.644 1.00 0.00 H new ATOM 0 HB ILE A 80 3.090 -4.575 -4.133 1.00 0.00 H new ATOM 0 HG12 ILE A 80 5.523 -5.261 -2.462 1.00 0.00 H new ATOM 0 HG13 ILE A 80 5.552 -4.016 -3.695 1.00 0.00 H new ATOM 0 HG21 ILE A 80 2.689 -5.797 -2.031 1.00 0.00 H new ATOM 0 HG22 ILE A 80 2.336 -6.805 -3.454 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.845 -7.049 -2.543 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.157 -3.049 -1.483 1.00 0.00 H new ATOM 0 HD12 ILE A 80 3.741 -2.804 -2.533 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.712 -4.068 -1.281 1.00 0.00 H new ATOM 1289 N ASP A 81 4.632 -4.083 -6.477 1.00 0.00 N ATOM 1290 CA ASP A 81 5.323 -3.064 -7.258 1.00 0.00 C ATOM 1291 C ASP A 81 4.464 -1.811 -7.397 1.00 0.00 C ATOM 1292 O ASP A 81 3.429 -1.810 -8.064 1.00 0.00 O ATOM 1293 CB ASP A 81 5.683 -3.607 -8.641 1.00 0.00 C ATOM 1294 CG ASP A 81 6.780 -2.803 -9.312 1.00 0.00 C ATOM 1295 OD1 ASP A 81 7.782 -2.488 -8.637 1.00 0.00 O ATOM 1296 OD2 ASP A 81 6.635 -2.490 -10.512 1.00 0.00 O ATOM 0 H ASP A 81 3.614 -4.030 -6.522 1.00 0.00 H new ATOM 0 HA ASP A 81 6.240 -2.798 -6.732 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.002 -4.645 -8.549 1.00 0.00 H new ATOM 0 HB3 ASP A 81 4.795 -3.602 -9.273 1.00 0.00 H new ATOM 1301 N PRO A 82 4.901 -0.718 -6.754 1.00 0.00 N ATOM 1302 CA PRO A 82 4.186 0.561 -6.791 1.00 0.00 C ATOM 1303 C PRO A 82 4.253 1.223 -8.163 1.00 0.00 C ATOM 1304 O PRO A 82 5.043 0.823 -9.019 1.00 0.00 O ATOM 1305 CB PRO A 82 4.923 1.409 -5.751 1.00 0.00 C ATOM 1306 CG PRO A 82 6.292 0.825 -5.688 1.00 0.00 C ATOM 1307 CD PRO A 82 6.127 -0.648 -5.940 1.00 0.00 C ATOM 0 HA PRO A 82 3.122 0.440 -6.586 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.953 2.458 -6.045 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.428 1.364 -4.781 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.944 1.278 -6.435 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.749 1.005 -4.715 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.985 -1.064 -6.468 1.00 0.00 H new ATOM 0 HD3 PRO A 82 6.024 -1.206 -5.009 1.00 0.00 H new ATOM 1315 N LYS A 83 3.420 2.238 -8.366 1.00 0.00 N ATOM 1316 CA LYS A 83 3.385 2.957 -9.634 1.00 0.00 C ATOM 1317 C LYS A 83 3.030 4.425 -9.417 1.00 0.00 C ATOM 1318 O LYS A 83 2.224 4.772 -8.554 1.00 0.00 O ATOM 1319 CB LYS A 83 2.372 2.312 -10.583 1.00 0.00 C ATOM 1320 CG LYS A 83 2.702 0.872 -10.937 1.00 0.00 C ATOM 1321 CD LYS A 83 2.216 0.515 -12.331 1.00 0.00 C ATOM 1322 CE LYS A 83 0.698 0.423 -12.385 1.00 0.00 C ATOM 1323 NZ LYS A 83 0.073 1.740 -12.684 1.00 0.00 N ATOM 0 H LYS A 83 2.760 2.581 -7.668 1.00 0.00 H new ATOM 0 HA LYS A 83 4.378 2.903 -10.081 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.384 2.347 -10.125 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.320 2.900 -11.499 1.00 0.00 H new ATOM 0 HG2 LYS A 83 3.780 0.719 -10.876 1.00 0.00 H new ATOM 0 HG3 LYS A 83 2.244 0.203 -10.209 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.562 1.266 -13.042 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.650 -0.437 -12.636 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.405 -0.299 -13.147 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.323 0.051 -11.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.859 1.591 -13.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.041 2.278 -11.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 0.681 2.272 -13.338 1.00 0.00 H new ATOM 1337 N PRO A 84 3.645 5.308 -10.218 1.00 0.00 N ATOM 1338 CA PRO A 84 3.408 6.752 -10.134 1.00 0.00 C ATOM 1339 C PRO A 84 2.013 7.139 -10.613 1.00 0.00 C ATOM 1340 O PRO A 84 1.642 8.314 -10.588 1.00 0.00 O ATOM 1341 CB PRO A 84 4.474 7.341 -11.060 1.00 0.00 C ATOM 1342 CG PRO A 84 4.779 6.251 -12.029 1.00 0.00 C ATOM 1343 CD PRO A 84 4.618 4.964 -11.268 1.00 0.00 C ATOM 0 HA PRO A 84 3.467 7.116 -9.108 1.00 0.00 H new ATOM 0 HB2 PRO A 84 4.107 8.232 -11.569 1.00 0.00 H new ATOM 0 HB3 PRO A 84 5.363 7.636 -10.503 1.00 0.00 H new ATOM 0 HG2 PRO A 84 4.102 6.287 -12.883 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.792 6.349 -12.421 1.00 0.00 H new ATOM 0 HD2 PRO A 84 4.251 4.162 -11.908 1.00 0.00 H new ATOM 0 HD3 PRO A 84 5.564 4.627 -10.844 1.00 0.00 H new ATOM 1351 N CYS A 85 1.245 6.147 -11.048 1.00 0.00 N ATOM 1352 CA CYS A 85 -0.110 6.384 -11.533 1.00 0.00 C ATOM 1353 C CYS A 85 -0.106 7.381 -12.688 1.00 0.00 C ATOM 1354 O CYS A 85 -0.880 8.339 -12.699 1.00 0.00 O ATOM 1355 CB CYS A 85 -0.997 6.902 -10.400 1.00 0.00 C ATOM 1356 SG CYS A 85 -1.799 5.598 -9.437 1.00 0.00 S ATOM 0 H CYS A 85 1.537 5.170 -11.075 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.511 5.437 -11.894 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -0.393 7.514 -9.731 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.764 7.552 -10.821 1.00 0.00 H new ATOM 0 HG CYS A 85 -2.525 6.134 -8.501 1.00 0.00 H new ATOM 1362 N THR A 86 0.771 7.150 -13.660 1.00 0.00 N ATOM 1363 CA THR A 86 0.878 8.029 -14.818 1.00 0.00 C ATOM 1364 C THR A 86 0.778 7.239 -16.118 1.00 0.00 C ATOM 1365 O THR A 86 1.096 6.051 -16.177 1.00 0.00 O ATOM 1366 CB THR A 86 2.203 8.813 -14.807 1.00 0.00 C ATOM 1367 OG1 THR A 86 3.302 7.917 -14.612 1.00 0.00 O ATOM 1368 CG2 THR A 86 2.200 9.866 -13.709 1.00 0.00 C ATOM 0 H THR A 86 1.418 6.361 -13.668 1.00 0.00 H new ATOM 0 HA THR A 86 0.048 8.733 -14.759 1.00 0.00 H new ATOM 0 HB THR A 86 2.310 9.314 -15.769 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.141 8.424 -14.608 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.146 10.407 -13.721 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.381 10.565 -13.877 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.071 9.382 -12.741 1.00 0.00 H new