USER MOD reduce.3.24.130724 H: found=0, std=0, add=342, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 339 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 40 CYS SG : rot 180:sc= 0.172 USER MOD Set 1.2: A 43 CYS SG : rot -61:sc= 0.196 USER MOD Single : A 10 SER OG : rot 180:sc= 0.0404 USER MOD Single : A 14 CYS SG : rot 179:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : A 20 THR OG1 : rot -64:sc= 1.2 USER MOD Single : A 28 SER OG : rot 71:sc= 0.088 USER MOD Single : A 38 MET CE :methyl -158:sc= 0 (180deg=-0.275) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=-0.033) USER MOD Single : A 42 TYR OH : rot 180:sc= 0.164 USER MOD Single : A 45 ASN : amide:sc= -0.259 K(o=-0.26,f=-2) USER MOD Single : A 46 HIS : no HE2:sc= 0.26 K(o=0.26,f=-1.5) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 1.08 K(o=1.1,f=-5.2!) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 139 N SER A 10 17.848 -14.328 40.145 1.00 10.00 N ATOM 140 CA SER A 10 18.214 -15.601 39.496 1.00 10.00 C ATOM 141 C SER A 10 17.546 -15.906 38.140 1.00 10.00 C ATOM 142 O SER A 10 16.628 -15.227 37.669 1.00 10.00 O ATOM 143 CB SER A 10 17.979 -16.770 40.471 1.00 10.00 C ATOM 144 OG SER A 10 18.771 -17.895 40.122 1.00 10.00 O ATOM 0 HA SER A 10 19.269 -15.482 39.251 1.00 10.00 H new ATOM 0 HB2 SER A 10 18.218 -16.454 41.486 1.00 10.00 H new ATOM 0 HB3 SER A 10 16.925 -17.047 40.463 1.00 10.00 H new ATOM 0 HG SER A 10 18.604 -18.622 40.757 1.00 10.00 H new ATOM 150 N ARG A 11 17.999 -17.010 37.530 1.00 10.00 N ATOM 151 CA ARG A 11 17.506 -17.600 36.272 1.00 10.00 C ATOM 152 C ARG A 11 16.011 -17.894 36.331 1.00 10.00 C ATOM 153 O ARG A 11 15.315 -17.773 35.331 1.00 10.00 O ATOM 154 CB ARG A 11 18.310 -18.890 36.008 1.00 10.00 C ATOM 155 CG ARG A 11 18.554 -19.209 34.528 1.00 10.00 C ATOM 156 CD ARG A 11 17.408 -19.811 33.705 1.00 10.00 C ATOM 157 NE ARG A 11 17.206 -21.251 33.973 1.00 10.00 N ATOM 158 CZ ARG A 11 17.312 -22.245 33.102 1.00 10.00 C ATOM 159 NH1 ARG A 11 17.617 -22.083 31.850 1.00 10.00 N ATOM 160 NH2 ARG A 11 17.112 -23.481 33.446 1.00 10.00 N ATOM 0 H ARG A 11 18.768 -17.551 37.925 1.00 10.00 H new ATOM 0 HA ARG A 11 17.647 -16.890 35.458 1.00 10.00 H new ATOM 0 HB2 ARG A 11 19.274 -18.809 36.511 1.00 10.00 H new ATOM 0 HB3 ARG A 11 17.783 -19.729 36.463 1.00 10.00 H new ATOM 0 HG2 ARG A 11 18.863 -18.286 34.038 1.00 10.00 H new ATOM 0 HG3 ARG A 11 19.397 -19.897 34.473 1.00 10.00 H new ATOM 0 HD2 ARG A 11 16.486 -19.272 33.925 1.00 10.00 H new ATOM 0 HD3 ARG A 11 17.615 -19.669 32.644 1.00 10.00 H new ATOM 0 HE ARG A 11 16.959 -21.507 34.929 1.00 10.00 H new ATOM 0 HH11 ARG A 11 17.791 -21.147 31.485 1.00 10.00 H new ATOM 0 HH12 ARG A 11 17.682 -22.892 31.232 1.00 10.00 H new ATOM 0 HH21 ARG A 11 16.866 -23.709 34.409 1.00 10.00 H new ATOM 0 HH22 ARG A 11 17.201 -24.224 32.753 1.00 10.00 H new ATOM 174 N GLU A 12 15.519 -18.254 37.514 1.00 10.00 N ATOM 175 CA GLU A 12 14.113 -18.608 37.772 1.00 10.00 C ATOM 176 C GLU A 12 13.126 -17.511 37.328 1.00 10.00 C ATOM 177 O GLU A 12 12.134 -17.819 36.664 1.00 10.00 O ATOM 178 CB GLU A 12 13.971 -18.941 39.269 1.00 10.00 C ATOM 179 CG GLU A 12 12.618 -19.547 39.686 1.00 10.00 C ATOM 180 CD GLU A 12 11.470 -18.528 39.840 1.00 10.00 C ATOM 181 OE1 GLU A 12 11.694 -17.393 40.319 1.00 10.00 O ATOM 182 OE2 GLU A 12 10.307 -18.860 39.513 1.00 10.00 O ATOM 0 H GLU A 12 16.101 -18.311 38.350 1.00 10.00 H new ATOM 0 HA GLU A 12 13.850 -19.478 37.171 1.00 10.00 H new ATOM 0 HB2 GLU A 12 14.762 -19.638 39.545 1.00 10.00 H new ATOM 0 HB3 GLU A 12 14.134 -18.029 39.844 1.00 10.00 H new ATOM 0 HG2 GLU A 12 12.326 -20.292 38.946 1.00 10.00 H new ATOM 0 HG3 GLU A 12 12.748 -20.072 40.632 1.00 10.00 H new ATOM 189 N ARG A 13 13.406 -16.232 37.618 1.00 10.00 N ATOM 190 CA ARG A 13 12.555 -15.112 37.174 1.00 10.00 C ATOM 191 C ARG A 13 12.623 -14.889 35.659 1.00 10.00 C ATOM 192 O ARG A 13 11.594 -14.623 35.037 1.00 10.00 O ATOM 193 CB ARG A 13 12.902 -13.839 37.958 1.00 10.00 C ATOM 194 CG ARG A 13 12.395 -13.830 39.413 1.00 10.00 C ATOM 195 CD ARG A 13 10.870 -13.790 39.582 1.00 10.00 C ATOM 196 NE ARG A 13 10.254 -15.125 39.508 1.00 10.00 N ATOM 197 CZ ARG A 13 9.104 -15.442 38.949 1.00 10.00 C ATOM 198 NH1 ARG A 13 8.329 -14.579 38.360 1.00 10.00 N ATOM 199 NH2 ARG A 13 8.693 -16.671 38.943 1.00 10.00 N ATOM 0 H ARG A 13 14.220 -15.944 38.161 1.00 10.00 H new ATOM 0 HA ARG A 13 11.520 -15.375 37.390 1.00 10.00 H new ATOM 0 HB2 ARG A 13 13.985 -13.713 37.963 1.00 10.00 H new ATOM 0 HB3 ARG A 13 12.484 -12.979 37.435 1.00 10.00 H new ATOM 0 HG2 ARG A 13 12.776 -14.718 39.917 1.00 10.00 H new ATOM 0 HG3 ARG A 13 12.822 -12.966 39.923 1.00 10.00 H new ATOM 0 HD2 ARG A 13 10.627 -13.335 40.542 1.00 10.00 H new ATOM 0 HD3 ARG A 13 10.440 -13.153 38.809 1.00 10.00 H new ATOM 0 HE ARG A 13 10.775 -15.889 39.937 1.00 10.00 H new ATOM 0 HH11 ARG A 13 8.601 -13.597 38.314 1.00 10.00 H new ATOM 0 HH12 ARG A 13 7.449 -14.884 37.944 1.00 10.00 H new ATOM 0 HH21 ARG A 13 9.261 -17.401 39.373 1.00 10.00 H new ATOM 0 HH22 ARG A 13 7.801 -16.908 38.508 1.00 10.00 H new ATOM 213 N CYS A 14 13.798 -15.056 35.049 1.00 10.00 N ATOM 214 CA CYS A 14 13.978 -14.952 33.596 1.00 10.00 C ATOM 215 C CYS A 14 13.240 -16.090 32.856 1.00 10.00 C ATOM 216 O CYS A 14 12.557 -15.861 31.856 1.00 10.00 O ATOM 217 CB CYS A 14 15.485 -14.960 33.305 1.00 10.00 C ATOM 218 SG CYS A 14 15.795 -14.464 31.585 1.00 10.00 S ATOM 0 H CYS A 14 14.660 -15.269 35.552 1.00 10.00 H new ATOM 0 HA CYS A 14 13.542 -14.023 33.229 1.00 10.00 H new ATOM 0 HB2 CYS A 14 15.998 -14.280 33.985 1.00 10.00 H new ATOM 0 HB3 CYS A 14 15.892 -15.955 33.483 1.00 10.00 H new ATOM 0 HG CYS A 14 17.075 -14.462 31.358 1.00 10.00 H new ATOM 224 N ALA A 15 13.323 -17.313 33.390 1.00 10.00 N ATOM 225 CA ALA A 15 12.641 -18.503 32.879 1.00 10.00 C ATOM 226 C ALA A 15 11.111 -18.338 32.926 1.00 10.00 C ATOM 227 O ALA A 15 10.419 -18.620 31.944 1.00 10.00 O ATOM 228 CB ALA A 15 13.090 -19.706 33.720 1.00 10.00 C ATOM 0 H ALA A 15 13.886 -17.506 34.218 1.00 10.00 H new ATOM 0 HA ALA A 15 12.906 -18.657 31.833 1.00 10.00 H new ATOM 0 HB1 ALA A 15 12.595 -20.607 33.359 1.00 10.00 H new ATOM 0 HB2 ALA A 15 14.170 -19.826 33.635 1.00 10.00 H new ATOM 0 HB3 ALA A 15 12.824 -19.540 34.764 1.00 10.00 H new ATOM 234 N ASP A 16 10.579 -17.844 34.051 1.00 10.00 N ATOM 235 CA ASP A 16 9.146 -17.584 34.219 1.00 10.00 C ATOM 236 C ASP A 16 8.637 -16.514 33.237 1.00 10.00 C ATOM 237 O ASP A 16 7.529 -16.630 32.716 1.00 10.00 O ATOM 238 CB ASP A 16 8.870 -17.175 35.668 1.00 10.00 C ATOM 239 CG ASP A 16 7.369 -17.149 36.000 1.00 10.00 C ATOM 240 OD1 ASP A 16 6.677 -18.166 35.771 1.00 10.00 O ATOM 241 OD2 ASP A 16 6.898 -16.142 36.581 1.00 10.00 O ATOM 0 H ASP A 16 11.135 -17.613 34.874 1.00 10.00 H new ATOM 0 HA ASP A 16 8.601 -18.501 33.993 1.00 10.00 H new ATOM 0 HB2 ASP A 16 9.375 -17.869 36.340 1.00 10.00 H new ATOM 0 HB3 ASP A 16 9.296 -16.188 35.850 1.00 10.00 H new ATOM 246 N ALA A 17 9.453 -15.495 32.947 1.00 10.00 N ATOM 247 CA ALA A 17 9.121 -14.446 31.983 1.00 10.00 C ATOM 248 C ALA A 17 9.108 -14.959 30.526 1.00 10.00 C ATOM 249 O ALA A 17 8.213 -14.601 29.759 1.00 10.00 O ATOM 250 CB ALA A 17 10.114 -13.289 32.153 1.00 10.00 C ATOM 0 H ALA A 17 10.369 -15.376 33.379 1.00 10.00 H new ATOM 0 HA ALA A 17 8.107 -14.101 32.186 1.00 10.00 H new ATOM 0 HB1 ALA A 17 9.878 -12.499 31.440 1.00 10.00 H new ATOM 0 HB2 ALA A 17 10.044 -12.895 33.167 1.00 10.00 H new ATOM 0 HB3 ALA A 17 11.127 -13.649 31.973 1.00 10.00 H new ATOM 256 N LEU A 18 10.059 -15.816 30.130 1.00 10.00 N ATOM 257 CA LEU A 18 10.177 -16.381 28.793 1.00 10.00 C ATOM 258 C LEU A 18 8.960 -17.242 28.410 1.00 10.00 C ATOM 259 O LEU A 18 8.469 -17.140 27.284 1.00 10.00 O ATOM 260 CB LEU A 18 11.513 -17.150 28.792 1.00 10.00 C ATOM 261 CG LEU A 18 11.713 -18.103 27.614 1.00 10.00 C ATOM 262 CD1 LEU A 18 11.724 -17.420 26.243 1.00 10.00 C ATOM 263 CD2 LEU A 18 13.029 -18.859 27.763 1.00 10.00 C ATOM 0 H LEU A 18 10.791 -16.142 30.761 1.00 10.00 H new ATOM 0 HA LEU A 18 10.183 -15.609 28.023 1.00 10.00 H new ATOM 0 HB2 LEU A 18 12.330 -16.428 28.798 1.00 10.00 H new ATOM 0 HB3 LEU A 18 11.586 -17.721 29.718 1.00 10.00 H new ATOM 0 HG LEU A 18 10.852 -18.771 27.645 1.00 10.00 H new ATOM 0 HD11 LEU A 18 11.871 -18.169 25.465 1.00 10.00 H new ATOM 0 HD12 LEU A 18 10.774 -16.911 26.082 1.00 10.00 H new ATOM 0 HD13 LEU A 18 12.535 -16.693 26.205 1.00 10.00 H new ATOM 0 HD21 LEU A 18 13.159 -19.534 26.917 1.00 10.00 H new ATOM 0 HD22 LEU A 18 13.855 -18.149 27.790 1.00 10.00 H new ATOM 0 HD23 LEU A 18 13.015 -19.435 28.688 1.00 10.00 H new ATOM 275 N LYS A 19 8.444 -18.066 29.332 1.00 10.00 N ATOM 276 CA LYS A 19 7.299 -18.951 29.106 1.00 10.00 C ATOM 277 C LYS A 19 6.002 -18.225 28.700 1.00 10.00 C ATOM 278 O LYS A 19 5.107 -18.849 28.131 1.00 10.00 O ATOM 279 CB LYS A 19 7.151 -19.833 30.360 1.00 10.00 C ATOM 280 CG LYS A 19 6.029 -19.396 31.309 1.00 10.00 C ATOM 281 CD LYS A 19 6.114 -20.109 32.659 1.00 10.00 C ATOM 282 CE LYS A 19 4.828 -19.870 33.453 1.00 10.00 C ATOM 283 NZ LYS A 19 5.024 -20.185 34.883 1.00 10.00 N ATOM 0 H LYS A 19 8.822 -18.135 30.277 1.00 10.00 H new ATOM 0 HA LYS A 19 7.492 -19.574 28.233 1.00 10.00 H new ATOM 0 HB2 LYS A 19 6.967 -20.861 30.047 1.00 10.00 H new ATOM 0 HB3 LYS A 19 8.095 -19.830 30.906 1.00 10.00 H new ATOM 0 HG2 LYS A 19 6.083 -18.318 31.464 1.00 10.00 H new ATOM 0 HG3 LYS A 19 5.063 -19.604 30.849 1.00 10.00 H new ATOM 0 HD2 LYS A 19 6.265 -21.178 32.507 1.00 10.00 H new ATOM 0 HD3 LYS A 19 6.973 -19.742 33.221 1.00 10.00 H new ATOM 0 HE2 LYS A 19 4.517 -18.831 33.345 1.00 10.00 H new ATOM 0 HE3 LYS A 19 4.026 -20.487 33.047 1.00 10.00 H new ATOM 0 HZ1 LYS A 19 4.138 -20.015 35.401 1.00 10.00 H new ATOM 0 HZ2 LYS A 19 5.298 -21.183 34.984 1.00 10.00 H new ATOM 0 HZ3 LYS A 19 5.774 -19.579 35.272 1.00 10.00 H new ATOM 297 N THR A 20 5.891 -16.923 28.993 1.00 10.00 N ATOM 298 CA THR A 20 4.709 -16.100 28.667 1.00 10.00 C ATOM 299 C THR A 20 4.564 -15.809 27.167 1.00 10.00 C ATOM 300 O THR A 20 3.456 -15.524 26.705 1.00 10.00 O ATOM 301 CB THR A 20 4.681 -14.769 29.439 1.00 10.00 C ATOM 302 OG1 THR A 20 5.673 -13.870 28.990 1.00 10.00 O ATOM 303 CG2 THR A 20 4.840 -14.954 30.950 1.00 10.00 C ATOM 0 H THR A 20 6.626 -16.401 29.469 1.00 10.00 H new ATOM 0 HA THR A 20 3.863 -16.712 28.981 1.00 10.00 H new ATOM 0 HB THR A 20 3.694 -14.351 29.238 1.00 10.00 H new ATOM 0 HG1 THR A 20 6.560 -14.247 29.166 1.00 10.00 H new ATOM 0 HG21 THR A 20 4.812 -13.981 31.441 1.00 10.00 H new ATOM 0 HG22 THR A 20 4.027 -15.574 31.328 1.00 10.00 H new ATOM 0 HG23 THR A 20 5.794 -15.439 31.159 1.00 10.00 H new ATOM 311 N LEU A 21 5.652 -15.902 26.389 1.00 10.00 N ATOM 312 CA LEU A 21 5.638 -15.704 24.939 1.00 10.00 C ATOM 313 C LEU A 21 4.899 -16.868 24.239 1.00 10.00 C ATOM 314 O LEU A 21 5.062 -18.016 24.668 1.00 10.00 O ATOM 315 CB LEU A 21 7.088 -15.615 24.428 1.00 10.00 C ATOM 316 CG LEU A 21 7.911 -14.428 24.965 1.00 10.00 C ATOM 317 CD1 LEU A 21 9.317 -14.473 24.365 1.00 10.00 C ATOM 318 CD2 LEU A 21 7.294 -13.073 24.608 1.00 10.00 C ATOM 0 H LEU A 21 6.578 -16.120 26.758 1.00 10.00 H new ATOM 0 HA LEU A 21 5.110 -14.778 24.709 1.00 10.00 H new ATOM 0 HB2 LEU A 21 7.604 -16.539 24.689 1.00 10.00 H new ATOM 0 HB3 LEU A 21 7.068 -15.557 23.340 1.00 10.00 H new ATOM 0 HG LEU A 21 7.931 -14.523 26.051 1.00 10.00 H new ATOM 0 HD11 LEU A 21 9.901 -13.634 24.743 1.00 10.00 H new ATOM 0 HD12 LEU A 21 9.802 -15.408 24.644 1.00 10.00 H new ATOM 0 HD13 LEU A 21 9.251 -14.409 23.279 1.00 10.00 H new ATOM 0 HD21 LEU A 21 7.915 -12.273 25.011 1.00 10.00 H new ATOM 0 HD22 LEU A 21 7.234 -12.975 23.524 1.00 10.00 H new ATOM 0 HD23 LEU A 21 6.293 -13.005 25.034 1.00 10.00 H new ATOM 330 N PRO A 22 4.107 -16.617 23.173 1.00 10.00 N ATOM 331 CA PRO A 22 3.401 -17.667 22.432 1.00 10.00 C ATOM 332 C PRO A 22 4.333 -18.803 21.989 1.00 10.00 C ATOM 333 O PRO A 22 5.376 -18.560 21.376 1.00 10.00 O ATOM 334 CB PRO A 22 2.753 -16.972 21.228 1.00 10.00 C ATOM 335 CG PRO A 22 2.588 -15.532 21.703 1.00 10.00 C ATOM 336 CD PRO A 22 3.819 -15.317 22.582 1.00 10.00 C ATOM 0 HA PRO A 22 2.656 -18.147 23.067 1.00 10.00 H new ATOM 0 HB2 PRO A 22 3.383 -17.033 20.341 1.00 10.00 H new ATOM 0 HB3 PRO A 22 1.795 -17.423 20.970 1.00 10.00 H new ATOM 0 HG2 PRO A 22 2.561 -14.832 20.868 1.00 10.00 H new ATOM 0 HG3 PRO A 22 1.663 -15.395 22.263 1.00 10.00 H new ATOM 0 HD2 PRO A 22 4.663 -14.958 21.994 1.00 10.00 H new ATOM 0 HD3 PRO A 22 3.626 -14.570 23.352 1.00 10.00 H new ATOM 344 N ASP A 23 3.957 -20.049 22.289 1.00 10.00 N ATOM 345 CA ASP A 23 4.752 -21.242 21.962 1.00 10.00 C ATOM 346 C ASP A 23 5.089 -21.348 20.466 1.00 10.00 C ATOM 347 O ASP A 23 6.186 -21.763 20.098 1.00 10.00 O ATOM 348 CB ASP A 23 3.991 -22.487 22.424 1.00 10.00 C ATOM 349 CG ASP A 23 4.892 -23.732 22.431 1.00 10.00 C ATOM 350 OD1 ASP A 23 5.777 -23.834 23.316 1.00 10.00 O ATOM 351 OD2 ASP A 23 4.690 -24.632 21.582 1.00 10.00 O ATOM 0 H ASP A 23 3.084 -20.263 22.771 1.00 10.00 H new ATOM 0 HA ASP A 23 5.705 -21.159 22.485 1.00 10.00 H new ATOM 0 HB2 ASP A 23 3.593 -22.320 23.425 1.00 10.00 H new ATOM 0 HB3 ASP A 23 3.139 -22.658 21.766 1.00 10.00 H new ATOM 356 N GLU A 24 4.157 -20.932 19.605 1.00 10.00 N ATOM 357 CA GLU A 24 4.343 -20.916 18.148 1.00 10.00 C ATOM 358 C GLU A 24 5.480 -19.966 17.717 1.00 10.00 C ATOM 359 O GLU A 24 6.310 -20.339 16.888 1.00 10.00 O ATOM 360 CB GLU A 24 3.010 -20.513 17.492 1.00 10.00 C ATOM 361 CG GLU A 24 3.053 -20.551 15.959 1.00 10.00 C ATOM 362 CD GLU A 24 1.668 -20.233 15.361 1.00 10.00 C ATOM 363 OE1 GLU A 24 1.328 -19.034 15.203 1.00 10.00 O ATOM 364 OE2 GLU A 24 0.908 -21.179 15.038 1.00 10.00 O ATOM 0 H GLU A 24 3.242 -20.593 19.901 1.00 10.00 H new ATOM 0 HA GLU A 24 4.637 -21.913 17.819 1.00 10.00 H new ATOM 0 HB2 GLU A 24 2.223 -21.181 17.843 1.00 10.00 H new ATOM 0 HB3 GLU A 24 2.743 -19.507 17.816 1.00 10.00 H new ATOM 0 HG2 GLU A 24 3.785 -19.831 15.594 1.00 10.00 H new ATOM 0 HG3 GLU A 24 3.380 -21.535 15.625 1.00 10.00 H new ATOM 371 N GLU A 25 5.577 -18.768 18.310 1.00 10.00 N ATOM 372 CA GLU A 25 6.669 -17.822 18.027 1.00 10.00 C ATOM 373 C GLU A 25 8.009 -18.325 18.585 1.00 10.00 C ATOM 374 O GLU A 25 9.040 -18.218 17.918 1.00 10.00 O ATOM 375 CB GLU A 25 6.353 -16.418 18.565 1.00 10.00 C ATOM 376 CG GLU A 25 5.166 -15.776 17.834 1.00 10.00 C ATOM 377 CD GLU A 25 5.101 -14.260 18.101 1.00 10.00 C ATOM 378 OE1 GLU A 25 4.594 -13.843 19.171 1.00 10.00 O ATOM 379 OE2 GLU A 25 5.551 -13.468 17.236 1.00 10.00 O ATOM 0 H GLU A 25 4.904 -18.427 18.997 1.00 10.00 H new ATOM 0 HA GLU A 25 6.759 -17.755 16.943 1.00 10.00 H new ATOM 0 HB2 GLU A 25 6.132 -16.479 19.631 1.00 10.00 H new ATOM 0 HB3 GLU A 25 7.232 -15.782 18.458 1.00 10.00 H new ATOM 0 HG2 GLU A 25 5.255 -15.956 16.763 1.00 10.00 H new ATOM 0 HG3 GLU A 25 4.238 -16.245 18.160 1.00 10.00 H new ATOM 386 N VAL A 26 7.997 -18.914 19.787 1.00 10.00 N ATOM 387 CA VAL A 26 9.184 -19.516 20.419 1.00 10.00 C ATOM 388 C VAL A 26 9.728 -20.650 19.537 1.00 10.00 C ATOM 389 O VAL A 26 10.928 -20.703 19.264 1.00 10.00 O ATOM 390 CB VAL A 26 8.839 -19.996 21.845 1.00 10.00 C ATOM 391 CG1 VAL A 26 9.944 -20.836 22.492 1.00 10.00 C ATOM 392 CG2 VAL A 26 8.586 -18.793 22.766 1.00 10.00 C ATOM 0 H VAL A 26 7.154 -18.988 20.357 1.00 10.00 H new ATOM 0 HA VAL A 26 9.972 -18.768 20.512 1.00 10.00 H new ATOM 0 HB VAL A 26 7.950 -20.617 21.733 1.00 10.00 H new ATOM 0 HG11 VAL A 26 9.633 -21.138 23.492 1.00 10.00 H new ATOM 0 HG12 VAL A 26 10.129 -21.723 21.886 1.00 10.00 H new ATOM 0 HG13 VAL A 26 10.858 -20.245 22.559 1.00 10.00 H new ATOM 0 HG21 VAL A 26 8.344 -19.147 23.768 1.00 10.00 H new ATOM 0 HG22 VAL A 26 9.481 -18.172 22.807 1.00 10.00 H new ATOM 0 HG23 VAL A 26 7.754 -18.206 22.377 1.00 10.00 H new ATOM 402 N ASP A 27 8.851 -21.524 19.032 1.00 10.00 N ATOM 403 CA ASP A 27 9.210 -22.614 18.120 1.00 10.00 C ATOM 404 C ASP A 27 9.823 -22.096 16.806 1.00 10.00 C ATOM 405 O ASP A 27 10.798 -22.676 16.329 1.00 10.00 O ATOM 406 CB ASP A 27 7.979 -23.490 17.853 1.00 10.00 C ATOM 407 CG ASP A 27 8.323 -24.708 16.979 1.00 10.00 C ATOM 408 OD1 ASP A 27 8.981 -25.649 17.486 1.00 10.00 O ATOM 409 OD2 ASP A 27 7.914 -24.744 15.794 1.00 10.00 O ATOM 0 H ASP A 27 7.855 -21.493 19.250 1.00 10.00 H new ATOM 0 HA ASP A 27 9.980 -23.218 18.601 1.00 10.00 H new ATOM 0 HB2 ASP A 27 7.562 -23.829 18.801 1.00 10.00 H new ATOM 0 HB3 ASP A 27 7.210 -22.895 17.361 1.00 10.00 H new ATOM 414 N SER A 28 9.317 -20.991 16.238 1.00 10.00 N ATOM 415 CA SER A 28 9.885 -20.387 15.019 1.00 10.00 C ATOM 416 C SER A 28 11.348 -19.964 15.209 1.00 10.00 C ATOM 417 O SER A 28 12.165 -20.191 14.316 1.00 10.00 O ATOM 418 CB SER A 28 9.073 -19.171 14.552 1.00 10.00 C ATOM 419 OG SER A 28 7.766 -19.541 14.139 1.00 10.00 O ATOM 0 H SER A 28 8.507 -20.492 16.607 1.00 10.00 H new ATOM 0 HA SER A 28 9.839 -21.164 14.256 1.00 10.00 H new ATOM 0 HB2 SER A 28 9.007 -18.444 15.362 1.00 10.00 H new ATOM 0 HB3 SER A 28 9.591 -18.682 13.727 1.00 10.00 H new ATOM 0 HG SER A 28 7.234 -19.791 14.923 1.00 10.00 H new ATOM 425 N ILE A 29 11.706 -19.387 16.366 1.00 10.00 N ATOM 426 CA ILE A 29 13.087 -18.990 16.684 1.00 10.00 C ATOM 427 C ILE A 29 13.969 -20.240 16.849 1.00 10.00 C ATOM 428 O ILE A 29 15.055 -20.326 16.267 1.00 10.00 O ATOM 429 CB ILE A 29 13.139 -18.080 17.936 1.00 10.00 C ATOM 430 CG1 ILE A 29 12.293 -16.801 17.724 1.00 10.00 C ATOM 431 CG2 ILE A 29 14.600 -17.693 18.243 1.00 10.00 C ATOM 432 CD1 ILE A 29 12.097 -15.957 18.992 1.00 10.00 C ATOM 0 H ILE A 29 11.042 -19.181 17.112 1.00 10.00 H new ATOM 0 HA ILE A 29 13.480 -18.403 15.854 1.00 10.00 H new ATOM 0 HB ILE A 29 12.724 -18.633 18.779 1.00 10.00 H new ATOM 0 HG12 ILE A 29 12.771 -16.185 16.962 1.00 10.00 H new ATOM 0 HG13 ILE A 29 11.315 -17.086 17.336 1.00 10.00 H new ATOM 0 HG21 ILE A 29 14.629 -17.053 19.125 1.00 10.00 H new ATOM 0 HG22 ILE A 29 15.184 -18.594 18.429 1.00 10.00 H new ATOM 0 HG23 ILE A 29 15.021 -17.158 17.392 1.00 10.00 H new ATOM 0 HD11 ILE A 29 11.494 -15.080 18.756 1.00 10.00 H new ATOM 0 HD12 ILE A 29 11.590 -16.553 19.751 1.00 10.00 H new ATOM 0 HD13 ILE A 29 13.068 -15.638 19.370 1.00 10.00 H new ATOM 444 N LEU A 30 13.494 -21.246 17.593 1.00 10.00 N ATOM 445 CA LEU A 30 14.209 -22.515 17.778 1.00 10.00 C ATOM 446 C LEU A 30 14.452 -23.233 16.435 1.00 10.00 C ATOM 447 O LEU A 30 15.520 -23.810 16.236 1.00 10.00 O ATOM 448 CB LEU A 30 13.436 -23.412 18.763 1.00 10.00 C ATOM 449 CG LEU A 30 13.390 -22.888 20.212 1.00 10.00 C ATOM 450 CD1 LEU A 30 12.412 -23.734 21.028 1.00 10.00 C ATOM 451 CD2 LEU A 30 14.758 -22.937 20.898 1.00 10.00 C ATOM 0 H LEU A 30 12.601 -21.203 18.085 1.00 10.00 H new ATOM 0 HA LEU A 30 15.190 -22.298 18.200 1.00 10.00 H new ATOM 0 HB2 LEU A 30 12.415 -23.530 18.401 1.00 10.00 H new ATOM 0 HB3 LEU A 30 13.890 -24.403 18.764 1.00 10.00 H new ATOM 0 HG LEU A 30 13.071 -21.847 20.165 1.00 10.00 H new ATOM 0 HD11 LEU A 30 12.379 -23.364 22.053 1.00 10.00 H new ATOM 0 HD12 LEU A 30 11.418 -23.669 20.586 1.00 10.00 H new ATOM 0 HD13 LEU A 30 12.742 -24.773 21.028 1.00 10.00 H new ATOM 0 HD21 LEU A 30 14.669 -22.557 21.916 1.00 10.00 H new ATOM 0 HD22 LEU A 30 15.115 -23.967 20.925 1.00 10.00 H new ATOM 0 HD23 LEU A 30 15.466 -22.322 20.342 1.00 10.00 H new ATOM 463 N ALA A 31 13.506 -23.163 15.494 1.00 10.00 N ATOM 464 CA ALA A 31 13.610 -23.755 14.158 1.00 10.00 C ATOM 465 C ALA A 31 14.680 -23.112 13.241 1.00 10.00 C ATOM 466 O ALA A 31 14.986 -23.681 12.190 1.00 10.00 O ATOM 467 CB ALA A 31 12.223 -23.719 13.502 1.00 10.00 C ATOM 0 H ALA A 31 12.621 -22.679 15.646 1.00 10.00 H new ATOM 0 HA ALA A 31 13.956 -24.780 14.289 1.00 10.00 H new ATOM 0 HB1 ALA A 31 12.281 -24.156 12.505 1.00 10.00 H new ATOM 0 HB2 ALA A 31 11.519 -24.289 14.108 1.00 10.00 H new ATOM 0 HB3 ALA A 31 11.883 -22.686 13.426 1.00 10.00 H new ATOM 473 N GLU A 32 15.264 -21.960 13.607 1.00 10.00 N ATOM 474 CA GLU A 32 16.303 -21.272 12.813 1.00 10.00 C ATOM 475 C GLU A 32 17.634 -21.028 13.556 1.00 10.00 C ATOM 476 O GLU A 32 18.628 -20.682 12.914 1.00 10.00 O ATOM 477 CB GLU A 32 15.749 -19.976 12.190 1.00 10.00 C ATOM 478 CG GLU A 32 15.434 -18.862 13.199 1.00 10.00 C ATOM 479 CD GLU A 32 15.057 -17.556 12.473 1.00 10.00 C ATOM 480 OE1 GLU A 32 13.879 -17.388 12.071 1.00 10.00 O ATOM 481 OE2 GLU A 32 15.939 -16.680 12.294 1.00 10.00 O ATOM 0 H GLU A 32 15.028 -21.472 14.471 1.00 10.00 H new ATOM 0 HA GLU A 32 16.564 -21.966 12.014 1.00 10.00 H new ATOM 0 HB2 GLU A 32 16.472 -19.599 11.467 1.00 10.00 H new ATOM 0 HB3 GLU A 32 14.840 -20.214 11.637 1.00 10.00 H new ATOM 0 HG2 GLU A 32 14.614 -19.173 13.847 1.00 10.00 H new ATOM 0 HG3 GLU A 32 16.299 -18.690 13.840 1.00 10.00 H new ATOM 488 N ASP A 33 17.685 -21.219 14.882 1.00 10.00 N ATOM 489 CA ASP A 33 18.906 -21.023 15.690 1.00 10.00 C ATOM 490 C ASP A 33 19.114 -22.050 16.826 1.00 10.00 C ATOM 491 O ASP A 33 20.220 -22.158 17.357 1.00 10.00 O ATOM 492 CB ASP A 33 18.903 -19.593 16.259 1.00 10.00 C ATOM 493 CG ASP A 33 20.307 -19.117 16.680 1.00 10.00 C ATOM 494 OD1 ASP A 33 21.242 -19.154 15.842 1.00 10.00 O ATOM 495 OD2 ASP A 33 20.475 -18.647 17.830 1.00 10.00 O ATOM 0 H ASP A 33 16.878 -21.515 15.431 1.00 10.00 H new ATOM 0 HA ASP A 33 19.746 -21.183 15.014 1.00 10.00 H new ATOM 0 HB2 ASP A 33 18.501 -18.910 15.511 1.00 10.00 H new ATOM 0 HB3 ASP A 33 18.236 -19.550 17.120 1.00 10.00 H new ATOM 500 N GLY A 34 18.087 -22.826 17.199 1.00 10.00 N ATOM 501 CA GLY A 34 18.143 -23.859 18.247 1.00 10.00 C ATOM 502 C GLY A 34 18.214 -23.345 19.695 1.00 10.00 C ATOM 503 O GLY A 34 18.162 -24.146 20.631 1.00 10.00 O ATOM 0 H GLY A 34 17.166 -22.751 16.768 1.00 10.00 H new ATOM 0 HA2 GLY A 34 17.263 -24.495 18.151 1.00 10.00 H new ATOM 0 HA3 GLY A 34 19.013 -24.489 18.063 1.00 10.00 H new ATOM 507 N GLU A 35 18.316 -22.030 19.901 1.00 10.00 N ATOM 508 CA GLU A 35 18.410 -21.379 21.214 1.00 10.00 C ATOM 509 C GLU A 35 17.930 -19.916 21.168 1.00 10.00 C ATOM 510 O GLU A 35 17.707 -19.348 20.095 1.00 10.00 O ATOM 511 CB GLU A 35 19.851 -21.477 21.762 1.00 10.00 C ATOM 512 CG GLU A 35 20.914 -20.798 20.887 1.00 10.00 C ATOM 513 CD GLU A 35 22.324 -21.010 21.471 1.00 10.00 C ATOM 514 OE1 GLU A 35 22.926 -22.090 21.250 1.00 10.00 O ATOM 515 OE2 GLU A 35 22.848 -20.095 22.152 1.00 10.00 O ATOM 0 H GLU A 35 18.336 -21.362 19.130 1.00 10.00 H new ATOM 0 HA GLU A 35 17.744 -21.909 21.895 1.00 10.00 H new ATOM 0 HB2 GLU A 35 19.879 -21.031 22.756 1.00 10.00 H new ATOM 0 HB3 GLU A 35 20.111 -22.529 21.877 1.00 10.00 H new ATOM 0 HG2 GLU A 35 20.870 -21.202 19.876 1.00 10.00 H new ATOM 0 HG3 GLU A 35 20.703 -19.731 20.814 1.00 10.00 H new ATOM 522 N ILE A 36 17.745 -19.317 22.347 1.00 10.00 N ATOM 523 CA ILE A 36 17.244 -17.958 22.563 1.00 10.00 C ATOM 524 C ILE A 36 18.100 -17.248 23.621 1.00 10.00 C ATOM 525 O ILE A 36 18.306 -17.760 24.724 1.00 10.00 O ATOM 526 CB ILE A 36 15.763 -18.013 23.021 1.00 10.00 C ATOM 527 CG1 ILE A 36 14.894 -18.796 22.010 1.00 10.00 C ATOM 528 CG2 ILE A 36 15.196 -16.595 23.237 1.00 10.00 C ATOM 529 CD1 ILE A 36 13.449 -19.007 22.455 1.00 10.00 C ATOM 0 H ILE A 36 17.952 -19.794 23.225 1.00 10.00 H new ATOM 0 HA ILE A 36 17.305 -17.399 21.629 1.00 10.00 H new ATOM 0 HB ILE A 36 15.733 -18.541 23.974 1.00 10.00 H new ATOM 0 HG12 ILE A 36 14.895 -18.263 21.059 1.00 10.00 H new ATOM 0 HG13 ILE A 36 15.353 -19.769 21.831 1.00 10.00 H new ATOM 0 HG21 ILE A 36 14.156 -16.664 23.558 1.00 10.00 H new ATOM 0 HG22 ILE A 36 15.779 -16.083 24.003 1.00 10.00 H new ATOM 0 HG23 ILE A 36 15.252 -16.035 22.304 1.00 10.00 H new ATOM 0 HD11 ILE A 36 12.910 -19.564 21.689 1.00 10.00 H new ATOM 0 HD12 ILE A 36 13.434 -19.568 23.389 1.00 10.00 H new ATOM 0 HD13 ILE A 36 12.970 -18.040 22.605 1.00 10.00 H new ATOM 541 N ASP A 37 18.550 -16.037 23.293 1.00 10.00 N ATOM 542 CA ASP A 37 19.265 -15.131 24.197 1.00 10.00 C ATOM 543 C ASP A 37 18.213 -14.229 24.861 1.00 10.00 C ATOM 544 O ASP A 37 17.650 -13.336 24.220 1.00 10.00 O ATOM 545 CB ASP A 37 20.310 -14.329 23.406 1.00 10.00 C ATOM 546 CG ASP A 37 20.984 -13.240 24.261 1.00 10.00 C ATOM 547 OD1 ASP A 37 21.503 -13.563 25.354 1.00 10.00 O ATOM 548 OD2 ASP A 37 21.015 -12.063 23.828 1.00 10.00 O ATOM 0 H ASP A 37 18.423 -15.645 22.360 1.00 10.00 H new ATOM 0 HA ASP A 37 19.809 -15.674 24.970 1.00 10.00 H new ATOM 0 HB2 ASP A 37 21.071 -15.008 23.022 1.00 10.00 H new ATOM 0 HB3 ASP A 37 19.832 -13.866 22.543 1.00 10.00 H new ATOM 553 N MET A 38 17.912 -14.495 26.132 1.00 10.00 N ATOM 554 CA MET A 38 16.873 -13.807 26.905 1.00 10.00 C ATOM 555 C MET A 38 17.476 -12.891 27.976 1.00 10.00 C ATOM 556 O MET A 38 18.580 -13.128 28.471 1.00 10.00 O ATOM 557 CB MET A 38 15.917 -14.847 27.522 1.00 10.00 C ATOM 558 CG MET A 38 14.445 -14.581 27.190 1.00 10.00 C ATOM 559 SD MET A 38 13.794 -12.960 27.684 1.00 10.00 S ATOM 560 CE MET A 38 12.030 -13.223 27.373 1.00 10.00 C ATOM 0 H MET A 38 18.396 -15.214 26.669 1.00 10.00 H new ATOM 0 HA MET A 38 16.306 -13.164 26.232 1.00 10.00 H new ATOM 0 HB2 MET A 38 16.190 -15.840 27.165 1.00 10.00 H new ATOM 0 HB3 MET A 38 16.044 -14.852 28.605 1.00 10.00 H new ATOM 0 HG2 MET A 38 14.311 -14.691 26.114 1.00 10.00 H new ATOM 0 HG3 MET A 38 13.841 -15.353 27.667 1.00 10.00 H new ATOM 0 HE1 MET A 38 11.536 -12.260 27.242 1.00 10.00 H new ATOM 0 HE2 MET A 38 11.905 -13.821 26.470 1.00 10.00 H new ATOM 0 HE3 MET A 38 11.585 -13.747 28.219 1.00 10.00 H new ATOM 570 N HIS A 39 16.734 -11.847 28.346 1.00 10.00 N ATOM 571 CA HIS A 39 17.131 -10.871 29.357 1.00 10.00 C ATOM 572 C HIS A 39 16.150 -10.855 30.536 1.00 10.00 C ATOM 573 O HIS A 39 14.927 -10.862 30.370 1.00 10.00 O ATOM 574 CB HIS A 39 17.276 -9.481 28.723 1.00 10.00 C ATOM 575 CG HIS A 39 18.511 -9.346 27.866 1.00 10.00 C ATOM 576 ND1 HIS A 39 18.649 -9.727 26.549 1.00 10.00 N ATOM 577 CD2 HIS A 39 19.717 -8.832 28.264 1.00 10.00 C ATOM 578 CE1 HIS A 39 19.907 -9.453 26.162 1.00 10.00 C ATOM 579 NE2 HIS A 39 20.597 -8.894 27.174 1.00 10.00 N ATOM 0 H HIS A 39 15.818 -11.653 27.940 1.00 10.00 H new ATOM 0 HA HIS A 39 18.101 -11.165 29.757 1.00 10.00 H new ATOM 0 HB2 HIS A 39 16.395 -9.272 28.116 1.00 10.00 H new ATOM 0 HB3 HIS A 39 17.305 -8.730 29.512 1.00 10.00 H new ATOM 0 HD2 HIS A 39 19.949 -8.446 29.246 1.00 10.00 H new ATOM 0 HE1 HIS A 39 20.307 -9.653 25.179 1.00 10.00 H new ATOM 0 HE2 HIS A 39 21.567 -8.578 27.152 1.00 10.00 H new ATOM 587 N CYS A 40 16.720 -10.815 31.737 1.00 10.00 N ATOM 588 CA CYS A 40 16.051 -10.753 33.023 1.00 10.00 C ATOM 589 C CYS A 40 15.476 -9.338 33.235 1.00 10.00 C ATOM 590 O CYS A 40 16.137 -8.463 33.794 1.00 10.00 O ATOM 591 CB CYS A 40 17.096 -11.151 34.077 1.00 10.00 C ATOM 592 SG CYS A 40 16.291 -11.499 35.658 1.00 10.00 S ATOM 0 H CYS A 40 17.735 -10.826 31.839 1.00 10.00 H new ATOM 0 HA CYS A 40 15.202 -11.433 33.093 1.00 10.00 H new ATOM 0 HB2 CYS A 40 17.646 -12.030 33.740 1.00 10.00 H new ATOM 0 HB3 CYS A 40 17.823 -10.348 34.200 1.00 10.00 H new ATOM 0 HG CYS A 40 17.188 -11.835 36.537 1.00 10.00 H new ATOM 597 N ASP A 41 14.260 -9.084 32.740 1.00 10.00 N ATOM 598 CA ASP A 41 13.576 -7.776 32.798 1.00 10.00 C ATOM 599 C ASP A 41 13.507 -7.150 34.212 1.00 10.00 C ATOM 600 O ASP A 41 13.386 -5.932 34.368 1.00 10.00 O ATOM 601 CB ASP A 41 12.170 -7.944 32.201 1.00 10.00 C ATOM 602 CG ASP A 41 11.434 -6.602 32.037 1.00 10.00 C ATOM 603 OD1 ASP A 41 11.854 -5.780 31.187 1.00 10.00 O ATOM 604 OD2 ASP A 41 10.411 -6.380 32.730 1.00 10.00 O ATOM 0 H ASP A 41 13.703 -9.800 32.273 1.00 10.00 H new ATOM 0 HA ASP A 41 14.170 -7.070 32.217 1.00 10.00 H new ATOM 0 HB2 ASP A 41 12.247 -8.433 31.230 1.00 10.00 H new ATOM 0 HB3 ASP A 41 11.583 -8.601 32.843 1.00 10.00 H new ATOM 609 N TYR A 42 13.625 -7.988 35.243 1.00 10.00 N ATOM 610 CA TYR A 42 13.639 -7.640 36.662 1.00 10.00 C ATOM 611 C TYR A 42 14.860 -6.803 37.098 1.00 10.00 C ATOM 612 O TYR A 42 14.727 -5.966 37.997 1.00 10.00 O ATOM 613 CB TYR A 42 13.614 -8.953 37.450 1.00 10.00 C ATOM 614 CG TYR A 42 12.304 -9.719 37.353 1.00 10.00 C ATOM 615 CD1 TYR A 42 12.060 -10.571 36.255 1.00 10.00 C ATOM 616 CD2 TYR A 42 11.324 -9.572 38.354 1.00 10.00 C ATOM 617 CE1 TYR A 42 10.836 -11.261 36.149 1.00 10.00 C ATOM 618 CE2 TYR A 42 10.106 -10.275 38.261 1.00 10.00 C ATOM 619 CZ TYR A 42 9.857 -11.117 37.156 1.00 10.00 C ATOM 620 OH TYR A 42 8.689 -11.812 37.083 1.00 10.00 O ATOM 0 H TYR A 42 13.719 -8.993 35.098 1.00 10.00 H new ATOM 0 HA TYR A 42 12.770 -7.012 36.860 1.00 10.00 H new ATOM 0 HB2 TYR A 42 14.422 -9.592 37.093 1.00 10.00 H new ATOM 0 HB3 TYR A 42 13.818 -8.737 38.499 1.00 10.00 H new ATOM 0 HD1 TYR A 42 12.815 -10.695 35.492 1.00 10.00 H new ATOM 0 HD2 TYR A 42 11.506 -8.919 39.195 1.00 10.00 H new ATOM 0 HE1 TYR A 42 10.647 -11.899 35.298 1.00 10.00 H new ATOM 0 HE2 TYR A 42 9.362 -10.169 39.037 1.00 10.00 H new ATOM 0 HH TYR A 42 8.130 -11.595 37.858 1.00 10.00 H new ATOM 630 N CYS A 43 16.031 -7.023 36.484 1.00 10.00 N ATOM 631 CA CYS A 43 17.293 -6.336 36.812 1.00 10.00 C ATOM 632 C CYS A 43 18.190 -5.933 35.615 1.00 10.00 C ATOM 633 O CYS A 43 18.912 -4.936 35.714 1.00 10.00 O ATOM 634 CB CYS A 43 18.076 -7.217 37.799 1.00 10.00 C ATOM 635 SG CYS A 43 18.549 -8.800 37.038 1.00 10.00 S ATOM 0 H CYS A 43 16.132 -7.699 35.727 1.00 10.00 H new ATOM 0 HA CYS A 43 17.008 -5.378 37.246 1.00 10.00 H new ATOM 0 HB2 CYS A 43 18.970 -6.689 38.131 1.00 10.00 H new ATOM 0 HB3 CYS A 43 17.468 -7.404 38.685 1.00 10.00 H new ATOM 0 HG CYS A 43 17.479 -9.452 36.693 1.00 10.00 H new ATOM 640 N GLY A 44 18.149 -6.662 34.494 1.00 10.00 N ATOM 641 CA GLY A 44 18.913 -6.387 33.267 1.00 10.00 C ATOM 642 C GLY A 44 19.917 -7.473 32.848 1.00 10.00 C ATOM 643 O GLY A 44 20.537 -7.339 31.789 1.00 10.00 O ATOM 0 H GLY A 44 17.561 -7.492 34.411 1.00 10.00 H new ATOM 0 HA2 GLY A 44 18.209 -6.235 32.449 1.00 10.00 H new ATOM 0 HA3 GLY A 44 19.454 -5.450 33.400 1.00 10.00 H new ATOM 647 N ASN A 45 20.104 -8.533 33.646 1.00 10.00 N ATOM 648 CA ASN A 45 21.023 -9.642 33.339 1.00 10.00 C ATOM 649 C ASN A 45 20.598 -10.439 32.077 1.00 10.00 C ATOM 650 O ASN A 45 19.477 -10.291 31.591 1.00 10.00 O ATOM 651 CB ASN A 45 21.133 -10.539 34.590 1.00 10.00 C ATOM 652 CG ASN A 45 22.217 -11.601 34.457 1.00 10.00 C ATOM 653 OD1 ASN A 45 23.284 -11.368 33.904 1.00 10.00 O ATOM 654 ND2 ASN A 45 21.973 -12.805 34.910 1.00 10.00 N ATOM 0 H ASN A 45 19.616 -8.648 34.534 1.00 10.00 H new ATOM 0 HA ASN A 45 22.005 -9.236 33.094 1.00 10.00 H new ATOM 0 HB2 ASN A 45 21.343 -9.918 35.460 1.00 10.00 H new ATOM 0 HB3 ASN A 45 20.174 -11.025 34.769 1.00 10.00 H new ATOM 0 HD21 ASN A 45 22.670 -13.542 34.801 1.00 10.00 H new ATOM 0 HD22 ASN A 45 21.086 -13.006 35.372 1.00 10.00 H new ATOM 661 N HIS A 46 21.466 -11.309 31.554 1.00 10.00 N ATOM 662 CA HIS A 46 21.223 -12.158 30.377 1.00 10.00 C ATOM 663 C HIS A 46 21.384 -13.659 30.688 1.00 10.00 C ATOM 664 O HIS A 46 22.189 -14.040 31.544 1.00 10.00 O ATOM 665 CB HIS A 46 22.170 -11.719 29.249 1.00 10.00 C ATOM 666 CG HIS A 46 23.626 -11.616 29.648 1.00 10.00 C ATOM 667 ND1 HIS A 46 24.357 -12.531 30.373 1.00 10.00 N ATOM 668 CD2 HIS A 46 24.452 -10.552 29.406 1.00 10.00 C ATOM 669 CE1 HIS A 46 25.592 -12.037 30.559 1.00 10.00 C ATOM 670 NE2 HIS A 46 25.702 -10.827 29.980 1.00 10.00 N ATOM 0 H HIS A 46 22.395 -11.449 31.952 1.00 10.00 H new ATOM 0 HA HIS A 46 20.187 -12.028 30.064 1.00 10.00 H new ATOM 0 HB2 HIS A 46 22.083 -12.426 28.424 1.00 10.00 H new ATOM 0 HB3 HIS A 46 21.841 -10.750 28.874 1.00 10.00 H new ATOM 0 HD1 HIS A 46 24.018 -13.431 30.711 1.00 10.00 H new ATOM 0 HD2 HIS A 46 24.187 -9.655 28.866 1.00 10.00 H new ATOM 0 HE1 HIS A 46 26.383 -12.539 31.096 1.00 10.00 H new ATOM 678 N TYR A 47 20.654 -14.519 29.970 1.00 10.00 N ATOM 679 CA TYR A 47 20.663 -15.971 30.113 1.00 10.00 C ATOM 680 C TYR A 47 20.328 -16.621 28.769 1.00 10.00 C ATOM 681 O TYR A 47 19.609 -16.046 27.947 1.00 10.00 O ATOM 682 CB TYR A 47 19.601 -16.387 31.141 1.00 10.00 C ATOM 683 CG TYR A 47 19.966 -16.131 32.591 1.00 10.00 C ATOM 684 CD1 TYR A 47 20.986 -16.889 33.198 1.00 10.00 C ATOM 685 CD2 TYR A 47 19.258 -15.171 33.341 1.00 10.00 C ATOM 686 CE1 TYR A 47 21.280 -16.712 34.564 1.00 10.00 C ATOM 687 CE2 TYR A 47 19.541 -14.998 34.711 1.00 10.00 C ATOM 688 CZ TYR A 47 20.549 -15.775 35.326 1.00 10.00 C ATOM 689 OH TYR A 47 20.820 -15.617 36.649 1.00 10.00 O ATOM 0 H TYR A 47 20.013 -14.203 29.242 1.00 10.00 H new ATOM 0 HA TYR A 47 21.650 -16.293 30.444 1.00 10.00 H new ATOM 0 HB2 TYR A 47 18.675 -15.856 30.918 1.00 10.00 H new ATOM 0 HB3 TYR A 47 19.397 -17.450 31.017 1.00 10.00 H new ATOM 0 HD1 TYR A 47 21.544 -17.607 32.615 1.00 10.00 H new ATOM 0 HD2 TYR A 47 18.498 -14.568 32.866 1.00 10.00 H new ATOM 0 HE1 TYR A 47 22.064 -17.292 35.028 1.00 10.00 H new ATOM 0 HE2 TYR A 47 18.988 -14.273 35.290 1.00 10.00 H new ATOM 0 HH TYR A 47 20.228 -14.932 37.025 1.00 10.00 H new ATOM 699 N LEU A 48 20.818 -17.843 28.560 1.00 10.00 N ATOM 700 CA LEU A 48 20.563 -18.605 27.341 1.00 10.00 C ATOM 701 C LEU A 48 19.568 -19.746 27.614 1.00 10.00 C ATOM 702 O LEU A 48 19.623 -20.392 28.664 1.00 10.00 O ATOM 703 CB LEU A 48 21.883 -19.170 26.778 1.00 10.00 C ATOM 704 CG LEU A 48 22.964 -18.130 26.422 1.00 10.00 C ATOM 705 CD1 LEU A 48 24.219 -18.847 25.922 1.00 10.00 C ATOM 706 CD2 LEU A 48 22.503 -17.155 25.339 1.00 10.00 C ATOM 0 H LEU A 48 21.405 -18.333 29.235 1.00 10.00 H new ATOM 0 HA LEU A 48 20.125 -17.935 26.601 1.00 10.00 H new ATOM 0 HB2 LEU A 48 22.300 -19.863 27.509 1.00 10.00 H new ATOM 0 HB3 LEU A 48 21.655 -19.749 25.883 1.00 10.00 H new ATOM 0 HG LEU A 48 23.169 -17.561 27.328 1.00 10.00 H new ATOM 0 HD11 LEU A 48 24.983 -18.111 25.671 1.00 10.00 H new ATOM 0 HD12 LEU A 48 24.595 -19.508 26.702 1.00 10.00 H new ATOM 0 HD13 LEU A 48 23.975 -19.433 25.036 1.00 10.00 H new ATOM 0 HD21 LEU A 48 23.301 -16.444 25.126 1.00 10.00 H new ATOM 0 HD22 LEU A 48 22.258 -17.708 24.432 1.00 10.00 H new ATOM 0 HD23 LEU A 48 21.621 -16.617 25.686 1.00 10.00 H new ATOM 718 N PHE A 49 18.673 -20.003 26.660 1.00 10.00 N ATOM 719 CA PHE A 49 17.645 -21.048 26.734 1.00 10.00 C ATOM 720 C PHE A 49 17.574 -21.831 25.421 1.00 10.00 C ATOM 721 O PHE A 49 17.775 -21.278 24.343 1.00 10.00 O ATOM 722 CB PHE A 49 16.283 -20.410 27.041 1.00 10.00 C ATOM 723 CG PHE A 49 16.183 -19.743 28.400 1.00 10.00 C ATOM 724 CD1 PHE A 49 16.603 -18.410 28.565 1.00 10.00 C ATOM 725 CD2 PHE A 49 15.628 -20.439 29.491 1.00 10.00 C ATOM 726 CE1 PHE A 49 16.449 -17.768 29.805 1.00 10.00 C ATOM 727 CE2 PHE A 49 15.476 -19.795 30.732 1.00 10.00 C ATOM 728 CZ PHE A 49 15.878 -18.457 30.888 1.00 10.00 C ATOM 0 H PHE A 49 18.640 -19.476 25.788 1.00 10.00 H new ATOM 0 HA PHE A 49 17.908 -21.742 27.532 1.00 10.00 H new ATOM 0 HB2 PHE A 49 16.063 -19.670 26.272 1.00 10.00 H new ATOM 0 HB3 PHE A 49 15.514 -21.179 26.972 1.00 10.00 H new ATOM 0 HD1 PHE A 49 17.045 -17.879 27.735 1.00 10.00 H new ATOM 0 HD2 PHE A 49 15.319 -21.467 29.375 1.00 10.00 H new ATOM 0 HE1 PHE A 49 16.770 -16.744 29.926 1.00 10.00 H new ATOM 0 HE2 PHE A 49 15.049 -20.330 31.568 1.00 10.00 H new ATOM 0 HZ PHE A 49 15.748 -17.960 31.838 1.00 10.00 H new ATOM 738 N ASN A 50 17.277 -23.124 25.513 1.00 10.00 N ATOM 739 CA ASN A 50 17.148 -24.054 24.388 1.00 10.00 C ATOM 740 C ASN A 50 15.807 -24.800 24.438 1.00 10.00 C ATOM 741 O ASN A 50 15.044 -24.679 25.398 1.00 10.00 O ATOM 742 CB ASN A 50 18.353 -25.012 24.396 1.00 10.00 C ATOM 743 CG ASN A 50 18.406 -25.805 25.689 1.00 10.00 C ATOM 744 OD1 ASN A 50 17.689 -26.777 25.857 1.00 10.00 O ATOM 745 ND2 ASN A 50 19.201 -25.398 26.648 1.00 10.00 N ATOM 0 H ASN A 50 17.112 -23.575 26.413 1.00 10.00 H new ATOM 0 HA ASN A 50 17.151 -23.502 23.448 1.00 10.00 H new ATOM 0 HB2 ASN A 50 18.286 -25.694 23.549 1.00 10.00 H new ATOM 0 HB3 ASN A 50 19.275 -24.444 24.275 1.00 10.00 H new ATOM 0 HD21 ASN A 50 19.222 -25.895 27.539 1.00 10.00 H new ATOM 0 HD22 ASN A 50 19.799 -24.585 26.504 1.00 10.00 H new ATOM 752 N ALA A 51 15.544 -25.608 23.413 1.00 10.00 N ATOM 753 CA ALA A 51 14.314 -26.394 23.297 1.00 10.00 C ATOM 754 C ALA A 51 14.049 -27.309 24.512 1.00 10.00 C ATOM 755 O ALA A 51 12.917 -27.374 24.995 1.00 10.00 O ATOM 756 CB ALA A 51 14.388 -27.207 21.999 1.00 10.00 C ATOM 0 H ALA A 51 16.185 -25.738 22.630 1.00 10.00 H new ATOM 0 HA ALA A 51 13.470 -25.704 23.274 1.00 10.00 H new ATOM 0 HB1 ALA A 51 13.481 -27.802 21.890 1.00 10.00 H new ATOM 0 HB2 ALA A 51 14.482 -26.530 21.150 1.00 10.00 H new ATOM 0 HB3 ALA A 51 15.254 -27.868 22.033 1.00 10.00 H new ATOM 762 N MET A 52 15.078 -27.987 25.033 1.00 10.00 N ATOM 763 CA MET A 52 14.960 -28.868 26.205 1.00 10.00 C ATOM 764 C MET A 52 14.730 -28.081 27.503 1.00 10.00 C ATOM 765 O MET A 52 13.891 -28.474 28.311 1.00 10.00 O ATOM 766 CB MET A 52 16.178 -29.803 26.319 1.00 10.00 C ATOM 767 CG MET A 52 16.390 -30.643 25.050 1.00 10.00 C ATOM 768 SD MET A 52 14.978 -31.684 24.573 1.00 10.00 S ATOM 769 CE MET A 52 15.432 -32.053 22.857 1.00 10.00 C ATOM 0 H MET A 52 16.023 -27.941 24.652 1.00 10.00 H new ATOM 0 HA MET A 52 14.075 -29.486 26.054 1.00 10.00 H new ATOM 0 HB2 MET A 52 17.072 -29.210 26.513 1.00 10.00 H new ATOM 0 HB3 MET A 52 16.045 -30.467 27.173 1.00 10.00 H new ATOM 0 HG2 MET A 52 16.623 -29.972 24.223 1.00 10.00 H new ATOM 0 HG3 MET A 52 17.260 -31.283 25.197 1.00 10.00 H new ATOM 0 HE1 MET A 52 14.669 -32.688 22.407 1.00 10.00 H new ATOM 0 HE2 MET A 52 15.509 -31.123 22.293 1.00 10.00 H new ATOM 0 HE3 MET A 52 16.391 -32.570 22.838 1.00 10.00 H new ATOM 779 N ASP A 53 15.409 -26.945 27.700 1.00 10.00 N ATOM 780 CA ASP A 53 15.190 -26.075 28.868 1.00 10.00 C ATOM 781 C ASP A 53 13.752 -25.525 28.871 1.00 10.00 C ATOM 782 O ASP A 53 13.078 -25.538 29.900 1.00 10.00 O ATOM 783 CB ASP A 53 16.210 -24.923 28.887 1.00 10.00 C ATOM 784 CG ASP A 53 17.427 -25.241 29.768 1.00 10.00 C ATOM 785 OD1 ASP A 53 18.334 -25.982 29.320 1.00 10.00 O ATOM 786 OD2 ASP A 53 17.483 -24.713 30.906 1.00 10.00 O ATOM 0 H ASP A 53 16.124 -26.601 27.059 1.00 10.00 H new ATOM 0 HA ASP A 53 15.332 -26.671 29.769 1.00 10.00 H new ATOM 0 HB2 ASP A 53 16.543 -24.718 27.870 1.00 10.00 H new ATOM 0 HB3 ASP A 53 15.726 -24.017 29.252 1.00 10.00 H new ATOM 791 N ILE A 54 13.254 -25.088 27.710 1.00 10.00 N ATOM 792 CA ILE A 54 11.885 -24.588 27.531 1.00 10.00 C ATOM 793 C ILE A 54 10.863 -25.714 27.775 1.00 10.00 C ATOM 794 O ILE A 54 9.851 -25.491 28.441 1.00 10.00 O ATOM 795 CB ILE A 54 11.782 -23.921 26.141 1.00 10.00 C ATOM 796 CG1 ILE A 54 12.613 -22.612 26.160 1.00 10.00 C ATOM 797 CG2 ILE A 54 10.327 -23.622 25.749 1.00 10.00 C ATOM 798 CD1 ILE A 54 12.918 -22.038 24.774 1.00 10.00 C ATOM 0 H ILE A 54 13.802 -25.071 26.850 1.00 10.00 H new ATOM 0 HA ILE A 54 11.644 -23.824 28.270 1.00 10.00 H new ATOM 0 HB ILE A 54 12.174 -24.612 25.394 1.00 10.00 H new ATOM 0 HG12 ILE A 54 12.075 -21.862 26.740 1.00 10.00 H new ATOM 0 HG13 ILE A 54 13.554 -22.800 26.677 1.00 10.00 H new ATOM 0 HG21 ILE A 54 10.304 -23.154 24.765 1.00 10.00 H new ATOM 0 HG22 ILE A 54 9.759 -24.552 25.722 1.00 10.00 H new ATOM 0 HG23 ILE A 54 9.884 -22.948 26.482 1.00 10.00 H new ATOM 0 HD11 ILE A 54 13.502 -21.124 24.879 1.00 10.00 H new ATOM 0 HD12 ILE A 54 13.486 -22.767 24.195 1.00 10.00 H new ATOM 0 HD13 ILE A 54 11.984 -21.814 24.259 1.00 10.00 H new ATOM 810 N ALA A 55 11.136 -26.938 27.308 1.00 10.00 N ATOM 811 CA ALA A 55 10.288 -28.105 27.567 1.00 10.00 C ATOM 812 C ALA A 55 10.234 -28.453 29.071 1.00 10.00 C ATOM 813 O ALA A 55 9.174 -28.819 29.582 1.00 10.00 O ATOM 814 CB ALA A 55 10.784 -29.289 26.730 1.00 10.00 C ATOM 0 H ALA A 55 11.955 -27.147 26.737 1.00 10.00 H new ATOM 0 HA ALA A 55 9.266 -27.867 27.272 1.00 10.00 H new ATOM 0 HB1 ALA A 55 10.155 -30.158 26.921 1.00 10.00 H new ATOM 0 HB2 ALA A 55 10.736 -29.032 25.672 1.00 10.00 H new ATOM 0 HB3 ALA A 55 11.814 -29.520 27.001 1.00 10.00 H new ATOM 820 N GLU A 56 11.344 -28.299 29.803 1.00 10.00 N ATOM 821 CA GLU A 56 11.389 -28.507 31.258 1.00 10.00 C ATOM 822 C GLU A 56 10.593 -27.409 31.980 1.00 10.00 C ATOM 823 O GLU A 56 9.800 -27.713 32.870 1.00 10.00 O ATOM 824 CB GLU A 56 12.844 -28.535 31.762 1.00 10.00 C ATOM 825 CG GLU A 56 13.584 -29.838 31.427 1.00 10.00 C ATOM 826 CD GLU A 56 13.179 -30.988 32.370 1.00 10.00 C ATOM 827 OE1 GLU A 56 12.189 -31.703 32.080 1.00 10.00 O ATOM 828 OE2 GLU A 56 13.854 -31.192 33.409 1.00 10.00 O ATOM 0 H GLU A 56 12.241 -28.025 29.402 1.00 10.00 H new ATOM 0 HA GLU A 56 10.933 -29.472 31.479 1.00 10.00 H new ATOM 0 HB2 GLU A 56 13.387 -27.696 31.327 1.00 10.00 H new ATOM 0 HB3 GLU A 56 12.849 -28.392 32.843 1.00 10.00 H new ATOM 0 HG2 GLU A 56 13.371 -30.122 30.396 1.00 10.00 H new ATOM 0 HG3 GLU A 56 14.659 -29.673 31.497 1.00 10.00 H new ATOM 835 N ILE A 57 10.726 -26.143 31.568 1.00 10.00 N ATOM 836 CA ILE A 57 9.962 -25.010 32.122 1.00 10.00 C ATOM 837 C ILE A 57 8.450 -25.260 31.959 1.00 10.00 C ATOM 838 O ILE A 57 7.682 -25.073 32.904 1.00 10.00 O ATOM 839 CB ILE A 57 10.436 -23.697 31.448 1.00 10.00 C ATOM 840 CG1 ILE A 57 11.833 -23.312 31.989 1.00 10.00 C ATOM 841 CG2 ILE A 57 9.459 -22.521 31.642 1.00 10.00 C ATOM 842 CD1 ILE A 57 12.589 -22.315 31.100 1.00 10.00 C ATOM 0 H ILE A 57 11.375 -25.869 30.831 1.00 10.00 H new ATOM 0 HA ILE A 57 10.146 -24.912 33.192 1.00 10.00 H new ATOM 0 HB ILE A 57 10.479 -23.891 30.376 1.00 10.00 H new ATOM 0 HG12 ILE A 57 11.721 -22.884 32.985 1.00 10.00 H new ATOM 0 HG13 ILE A 57 12.433 -24.216 32.096 1.00 10.00 H new ATOM 0 HG21 ILE A 57 9.853 -21.635 31.145 1.00 10.00 H new ATOM 0 HG22 ILE A 57 8.491 -22.778 31.212 1.00 10.00 H new ATOM 0 HG23 ILE A 57 9.341 -22.318 32.706 1.00 10.00 H new ATOM 0 HD11 ILE A 57 13.559 -22.094 31.545 1.00 10.00 H new ATOM 0 HD12 ILE A 57 12.734 -22.747 30.110 1.00 10.00 H new ATOM 0 HD13 ILE A 57 12.012 -21.395 31.013 1.00 10.00 H new