USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 524 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 72 MET CE :methyl 158:sc= -0.12 (180deg=-0.686) USER MOD Set 1.2: A 89 MET CE :methyl 143:sc= -0.0382 (180deg=-0.0866) USER MOD Single : A 15 SER OG : rot 120:sc= 0.117 USER MOD Single : A 17 LYS NZ :NH3+ -123:sc= 0.0965 (180deg=-0.422) USER MOD Single : A 20 ASN : amide:sc= 0.92 K(o=0.92,f=-6.3!) USER MOD Single : A 22 THR OG1 : rot -43:sc= 0.681 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -140:sc= 0.108 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 120:sc= 0.257 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -91:sc= 0.0599 USER MOD Single : A 44 TYR OH : rot -111:sc= 1.26 USER MOD Single : A 63 HIS : no HD1:sc= -1.83 K(o=-1.8,f=-7.3!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -164:sc= -0.623 (180deg=-1.22) USER MOD Single : A 88 GLN : amide:sc= 0.956 K(o=0.96,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 203 N SER A 15 11.450 6.511 5.592 1.00 0.00 N ATOM 204 CA SER A 15 10.364 6.616 4.611 1.00 0.00 C ATOM 205 C SER A 15 10.008 5.225 4.142 1.00 0.00 C ATOM 206 O SER A 15 10.877 4.433 3.780 1.00 0.00 O ATOM 207 CB SER A 15 10.679 7.515 3.416 1.00 0.00 C ATOM 208 OG SER A 15 10.703 8.868 3.819 1.00 0.00 O ATOM 0 HA SER A 15 9.523 7.094 5.113 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.642 7.238 2.987 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.930 7.373 2.637 1.00 0.00 H new ATOM 0 HG SER A 15 11.589 9.247 3.641 1.00 0.00 H new ATOM 214 N LEU A 16 8.710 4.937 4.151 1.00 0.00 N ATOM 215 CA LEU A 16 8.198 3.650 3.702 1.00 0.00 C ATOM 216 C LEU A 16 7.628 3.828 2.309 1.00 0.00 C ATOM 217 O LEU A 16 7.345 4.959 1.926 1.00 0.00 O ATOM 218 CB LEU A 16 7.109 3.173 4.668 1.00 0.00 C ATOM 219 CG LEU A 16 6.662 1.728 4.425 1.00 0.00 C ATOM 220 CD1 LEU A 16 7.816 0.757 4.668 1.00 0.00 C ATOM 221 CD2 LEU A 16 5.507 1.399 5.365 1.00 0.00 C ATOM 0 H LEU A 16 7.989 5.585 4.468 1.00 0.00 H new ATOM 0 HA LEU A 16 8.993 2.904 3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.477 3.263 5.690 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.245 3.831 4.581 1.00 0.00 H new ATOM 0 HG LEU A 16 6.340 1.626 3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.477 -0.263 4.490 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.637 0.990 3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.159 0.850 5.698 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.183 0.372 5.198 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.835 1.513 6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.676 2.077 5.172 1.00 0.00 H new ATOM 233 N LYS A 17 7.466 2.716 1.586 1.00 0.00 N ATOM 234 CA LYS A 17 6.844 2.597 0.275 1.00 0.00 C ATOM 235 C LYS A 17 6.058 1.287 0.277 1.00 0.00 C ATOM 236 O LYS A 17 6.526 0.269 0.777 1.00 0.00 O ATOM 237 CB LYS A 17 7.924 2.619 -0.812 1.00 0.00 C ATOM 238 CG LYS A 17 7.531 1.927 -2.117 1.00 0.00 C ATOM 239 CD LYS A 17 6.445 2.705 -2.852 1.00 0.00 C ATOM 240 CE LYS A 17 6.010 1.991 -4.126 1.00 0.00 C ATOM 241 NZ LYS A 17 7.142 1.766 -5.042 1.00 0.00 N ATOM 0 H LYS A 17 7.792 1.813 1.932 1.00 0.00 H new ATOM 0 HA LYS A 17 6.170 3.428 0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.180 3.656 -1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.824 2.143 -0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.408 1.829 -2.757 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.178 0.918 -1.904 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.584 2.838 -2.196 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.814 3.700 -3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.555 1.034 -3.869 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.246 2.582 -4.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.935 2.202 -5.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.002 2.192 -4.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.289 0.744 -5.168 1.00 0.00 H new ATOM 255 N VAL A 18 4.852 1.306 -0.283 1.00 0.00 N ATOM 256 CA VAL A 18 4.031 0.107 -0.410 1.00 0.00 C ATOM 257 C VAL A 18 3.531 -0.036 -1.830 1.00 0.00 C ATOM 258 O VAL A 18 3.182 0.978 -2.434 1.00 0.00 O ATOM 259 CB VAL A 18 2.840 0.217 0.534 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.687 -0.702 0.114 1.00 0.00 C ATOM 261 CG2 VAL A 18 3.311 -0.123 1.940 1.00 0.00 C ATOM 0 H VAL A 18 4.418 2.149 -0.660 1.00 0.00 H new ATOM 0 HA VAL A 18 4.631 -0.767 -0.156 1.00 0.00 H new ATOM 0 HB VAL A 18 2.454 1.236 0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.860 -0.591 0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.353 -0.432 -0.888 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.028 -1.737 0.116 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.472 -0.050 2.632 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.707 -1.138 1.955 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.092 0.576 2.241 1.00 0.00 H new ATOM 271 N ASP A 19 3.521 -1.298 -2.294 1.00 0.00 N ATOM 272 CA ASP A 19 3.309 -1.745 -3.667 1.00 0.00 C ATOM 273 C ASP A 19 2.291 -2.887 -3.747 1.00 0.00 C ATOM 274 O ASP A 19 1.763 -3.334 -2.730 1.00 0.00 O ATOM 275 CB ASP A 19 4.642 -2.269 -4.226 1.00 0.00 C ATOM 276 CG ASP A 19 5.739 -1.221 -4.330 1.00 0.00 C ATOM 277 OD1 ASP A 19 6.427 -1.002 -3.311 1.00 0.00 O ATOM 278 OD2 ASP A 19 5.878 -0.651 -5.436 1.00 0.00 O ATOM 0 H ASP A 19 3.673 -2.086 -1.665 1.00 0.00 H new ATOM 0 HA ASP A 19 2.931 -0.897 -4.238 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.993 -3.082 -3.591 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.466 -2.691 -5.215 1.00 0.00 H new ATOM 283 N ASN A 20 2.034 -3.347 -4.979 1.00 0.00 N ATOM 284 CA ASN A 20 1.136 -4.439 -5.342 1.00 0.00 C ATOM 285 C ASN A 20 -0.331 -4.131 -5.074 1.00 0.00 C ATOM 286 O ASN A 20 -0.755 -4.017 -3.928 1.00 0.00 O ATOM 287 CB ASN A 20 1.582 -5.756 -4.705 1.00 0.00 C ATOM 288 CG ASN A 20 1.042 -6.929 -5.517 1.00 0.00 C ATOM 289 OD1 ASN A 20 0.835 -6.827 -6.720 1.00 0.00 O ATOM 290 ND2 ASN A 20 0.806 -8.061 -4.873 1.00 0.00 N ATOM 0 H ASN A 20 2.480 -2.935 -5.799 1.00 0.00 H new ATOM 0 HA ASN A 20 1.209 -4.554 -6.423 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.670 -5.801 -4.663 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.221 -5.815 -3.678 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.445 -8.870 -5.379 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.985 -8.125 -3.871 1.00 0.00 H new ATOM 297 N LEU A 21 -1.107 -3.998 -6.153 1.00 0.00 N ATOM 298 CA LEU A 21 -2.527 -3.672 -6.102 1.00 0.00 C ATOM 299 C LEU A 21 -3.318 -4.572 -7.042 1.00 0.00 C ATOM 300 O LEU A 21 -2.743 -5.246 -7.891 1.00 0.00 O ATOM 301 CB LEU A 21 -2.744 -2.228 -6.563 1.00 0.00 C ATOM 302 CG LEU A 21 -1.847 -1.209 -5.878 1.00 0.00 C ATOM 303 CD1 LEU A 21 -2.154 0.154 -6.489 1.00 0.00 C ATOM 304 CD2 LEU A 21 -2.070 -1.165 -4.370 1.00 0.00 C ATOM 0 H LEU A 21 -0.755 -4.117 -7.103 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.864 -3.810 -5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.579 -2.174 -7.639 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.784 -1.955 -6.386 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.805 -1.490 -6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.527 0.912 -6.020 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.951 0.127 -7.560 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.203 0.398 -6.324 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.407 -0.423 -3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.106 -0.896 -4.163 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.857 -2.144 -3.942 1.00 0.00 H new ATOM 316 N THR A 22 -4.643 -4.571 -6.891 1.00 0.00 N ATOM 317 CA THR A 22 -5.538 -5.363 -7.725 1.00 0.00 C ATOM 318 C THR A 22 -6.473 -4.459 -8.515 1.00 0.00 C ATOM 319 O THR A 22 -7.540 -4.911 -8.920 1.00 0.00 O ATOM 320 CB THR A 22 -6.304 -6.379 -6.873 1.00 0.00 C ATOM 321 OG1 THR A 22 -7.015 -7.277 -7.694 1.00 0.00 O ATOM 322 CG2 THR A 22 -7.260 -5.708 -5.884 1.00 0.00 C ATOM 0 H THR A 22 -5.124 -4.017 -6.183 1.00 0.00 H new ATOM 0 HA THR A 22 -4.945 -5.925 -8.447 1.00 0.00 H new ATOM 0 HB THR A 22 -5.562 -6.927 -6.292 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.443 -6.784 -8.425 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.779 -6.472 -5.304 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.694 -5.064 -5.211 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.989 -5.110 -6.431 1.00 0.00 H new ATOM 329 N TYR A 23 -6.083 -3.195 -8.739 1.00 0.00 N ATOM 330 CA TYR A 23 -6.834 -2.197 -9.509 1.00 0.00 C ATOM 331 C TYR A 23 -7.982 -1.588 -8.707 1.00 0.00 C ATOM 332 O TYR A 23 -8.641 -0.654 -9.160 1.00 0.00 O ATOM 333 CB TYR A 23 -7.289 -2.789 -10.847 1.00 0.00 C ATOM 334 CG TYR A 23 -8.772 -2.677 -11.136 1.00 0.00 C ATOM 335 CD1 TYR A 23 -9.700 -3.454 -10.424 1.00 0.00 C ATOM 336 CD2 TYR A 23 -9.210 -1.786 -12.127 1.00 0.00 C ATOM 337 CE1 TYR A 23 -11.069 -3.349 -10.710 1.00 0.00 C ATOM 338 CE2 TYR A 23 -10.576 -1.675 -12.417 1.00 0.00 C ATOM 339 CZ TYR A 23 -11.511 -2.455 -11.708 1.00 0.00 C ATOM 340 OH TYR A 23 -12.842 -2.346 -11.985 1.00 0.00 O ATOM 0 H TYR A 23 -5.204 -2.828 -8.375 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.165 -1.365 -9.729 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.741 -2.294 -11.649 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -7.009 -3.842 -10.873 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.359 -4.133 -9.656 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.493 -1.185 -12.667 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.783 -3.951 -10.168 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -10.912 -0.992 -13.183 1.00 0.00 H new ATOM 0 HH TYR A 23 -12.975 -1.686 -12.697 1.00 0.00 H new ATOM 350 N ARG A 24 -8.216 -2.124 -7.508 1.00 0.00 N ATOM 351 CA ARG A 24 -9.311 -1.707 -6.644 1.00 0.00 C ATOM 352 C ARG A 24 -8.859 -1.552 -5.188 1.00 0.00 C ATOM 353 O ARG A 24 -9.670 -1.280 -4.309 1.00 0.00 O ATOM 354 CB ARG A 24 -10.424 -2.739 -6.820 1.00 0.00 C ATOM 355 CG ARG A 24 -11.710 -2.387 -6.071 1.00 0.00 C ATOM 356 CD ARG A 24 -12.820 -3.344 -6.504 1.00 0.00 C ATOM 357 NE ARG A 24 -14.073 -3.059 -5.789 1.00 0.00 N ATOM 358 CZ ARG A 24 -15.194 -3.773 -5.920 1.00 0.00 C ATOM 359 NH1 ARG A 24 -15.243 -4.813 -6.750 1.00 0.00 N ATOM 360 NH2 ARG A 24 -16.274 -3.444 -5.217 1.00 0.00 N ATOM 0 H ARG A 24 -7.642 -2.867 -7.109 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.677 -0.718 -6.921 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.648 -2.841 -7.882 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.066 -3.709 -6.475 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.550 -2.459 -4.995 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.998 -1.357 -6.282 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -12.982 -3.255 -7.578 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.514 -4.372 -6.312 1.00 0.00 H new ATOM 0 HE ARG A 24 -14.087 -2.263 -5.151 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.419 -5.071 -7.293 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -16.104 -5.352 -6.842 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -16.245 -2.648 -4.580 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -17.131 -3.988 -5.315 1.00 0.00 H new ATOM 374 N THR A 25 -7.560 -1.730 -4.929 1.00 0.00 N ATOM 375 CA THR A 25 -7.009 -1.575 -3.591 1.00 0.00 C ATOM 376 C THR A 25 -7.221 -0.150 -3.081 1.00 0.00 C ATOM 377 O THR A 25 -7.636 0.035 -1.939 1.00 0.00 O ATOM 378 CB THR A 25 -5.517 -1.892 -3.630 1.00 0.00 C ATOM 379 OG1 THR A 25 -5.303 -3.190 -4.139 1.00 0.00 O ATOM 380 CG2 THR A 25 -4.926 -1.777 -2.236 1.00 0.00 C ATOM 0 H THR A 25 -6.871 -1.983 -5.638 1.00 0.00 H new ATOM 0 HA THR A 25 -7.519 -2.260 -2.914 1.00 0.00 H new ATOM 0 HB THR A 25 -5.025 -1.175 -4.287 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.586 -3.626 -3.632 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.861 -2.005 -2.273 1.00 0.00 H new ATOM 0 HG22 THR A 25 -5.068 -0.763 -1.863 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.425 -2.481 -1.570 1.00 0.00 H new ATOM 387 N SER A 26 -6.940 0.840 -3.937 1.00 0.00 N ATOM 388 CA SER A 26 -7.079 2.269 -3.675 1.00 0.00 C ATOM 389 C SER A 26 -6.293 2.797 -2.462 1.00 0.00 C ATOM 390 O SER A 26 -5.984 2.060 -1.528 1.00 0.00 O ATOM 391 CB SER A 26 -8.567 2.601 -3.571 1.00 0.00 C ATOM 392 OG SER A 26 -9.194 2.372 -4.816 1.00 0.00 O ATOM 0 H SER A 26 -6.592 0.652 -4.877 1.00 0.00 H new ATOM 0 HA SER A 26 -6.622 2.790 -4.516 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.033 1.988 -2.800 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.697 3.641 -3.273 1.00 0.00 H new ATOM 0 HG SER A 26 -10.148 2.584 -4.746 1.00 0.00 H new ATOM 398 N PRO A 27 -5.962 4.100 -2.472 1.00 0.00 N ATOM 399 CA PRO A 27 -5.222 4.766 -1.409 1.00 0.00 C ATOM 400 C PRO A 27 -6.017 4.822 -0.111 1.00 0.00 C ATOM 401 O PRO A 27 -5.427 4.905 0.963 1.00 0.00 O ATOM 402 CB PRO A 27 -4.938 6.180 -1.926 1.00 0.00 C ATOM 403 CG PRO A 27 -5.964 6.411 -3.030 1.00 0.00 C ATOM 404 CD PRO A 27 -6.290 5.015 -3.550 1.00 0.00 C ATOM 0 HA PRO A 27 -4.307 4.222 -1.176 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.041 6.919 -1.131 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.921 6.263 -2.309 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.854 6.909 -2.646 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.560 7.044 -3.820 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.342 4.936 -3.822 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.711 4.787 -4.445 1.00 0.00 H new ATOM 412 N ASP A 28 -7.349 4.773 -0.196 1.00 0.00 N ATOM 413 CA ASP A 28 -8.219 4.854 0.963 1.00 0.00 C ATOM 414 C ASP A 28 -8.089 3.615 1.849 1.00 0.00 C ATOM 415 O ASP A 28 -7.930 3.729 3.067 1.00 0.00 O ATOM 416 CB ASP A 28 -9.653 4.962 0.454 1.00 0.00 C ATOM 417 CG ASP A 28 -9.882 6.284 -0.275 1.00 0.00 C ATOM 418 OD1 ASP A 28 -10.098 7.298 0.426 1.00 0.00 O ATOM 419 OD2 ASP A 28 -9.848 6.267 -1.526 1.00 0.00 O ATOM 0 H ASP A 28 -7.850 4.675 -1.079 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.941 5.720 1.564 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.867 4.131 -0.218 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.346 4.881 1.291 1.00 0.00 H new ATOM 424 N THR A 29 -8.150 2.429 1.239 1.00 0.00 N ATOM 425 CA THR A 29 -8.063 1.187 1.990 1.00 0.00 C ATOM 426 C THR A 29 -6.683 1.098 2.605 1.00 0.00 C ATOM 427 O THR A 29 -6.546 0.741 3.771 1.00 0.00 O ATOM 428 CB THR A 29 -8.289 -0.002 1.067 1.00 0.00 C ATOM 429 OG1 THR A 29 -9.485 0.185 0.345 1.00 0.00 O ATOM 430 CG2 THR A 29 -8.403 -1.303 1.864 1.00 0.00 C ATOM 0 H THR A 29 -8.259 2.309 0.232 1.00 0.00 H new ATOM 0 HA THR A 29 -8.827 1.172 2.768 1.00 0.00 H new ATOM 0 HB THR A 29 -7.437 -0.072 0.391 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.289 0.200 -0.615 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.564 -2.136 1.180 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.483 -1.467 2.426 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.243 -1.234 2.555 1.00 0.00 H new ATOM 437 N LEU A 30 -5.661 1.428 1.816 1.00 0.00 N ATOM 438 CA LEU A 30 -4.291 1.399 2.287 1.00 0.00 C ATOM 439 C LEU A 30 -4.112 2.368 3.448 1.00 0.00 C ATOM 440 O LEU A 30 -3.311 2.102 4.338 1.00 0.00 O ATOM 441 CB LEU A 30 -3.365 1.794 1.139 1.00 0.00 C ATOM 442 CG LEU A 30 -3.424 0.796 -0.022 1.00 0.00 C ATOM 443 CD1 LEU A 30 -2.812 1.454 -1.254 1.00 0.00 C ATOM 444 CD2 LEU A 30 -2.643 -0.468 0.321 1.00 0.00 C ATOM 0 H LEU A 30 -5.765 1.719 0.844 1.00 0.00 H new ATOM 0 HA LEU A 30 -4.048 0.394 2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.639 2.785 0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.341 1.861 1.507 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.461 0.519 -0.212 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.845 0.758 -2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.377 2.352 -1.505 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.776 1.723 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.695 -1.166 -0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.602 -0.211 0.514 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.073 -0.932 1.209 1.00 0.00 H new ATOM 456 N ARG A 31 -4.842 3.487 3.449 1.00 0.00 N ATOM 457 CA ARG A 31 -4.667 4.492 4.481 1.00 0.00 C ATOM 458 C ARG A 31 -4.946 3.892 5.849 1.00 0.00 C ATOM 459 O ARG A 31 -4.092 3.935 6.727 1.00 0.00 O ATOM 460 CB ARG A 31 -5.612 5.679 4.216 1.00 0.00 C ATOM 461 CG ARG A 31 -5.057 7.008 4.738 1.00 0.00 C ATOM 462 CD ARG A 31 -4.530 6.920 6.166 1.00 0.00 C ATOM 463 NE ARG A 31 -4.160 8.249 6.671 1.00 0.00 N ATOM 464 CZ ARG A 31 -4.986 9.055 7.346 1.00 0.00 C ATOM 465 NH1 ARG A 31 -6.234 8.682 7.612 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.560 10.245 7.759 1.00 0.00 N ATOM 0 H ARG A 31 -5.551 3.711 2.751 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.637 4.848 4.462 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.792 5.762 3.144 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.575 5.483 4.687 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.254 7.342 4.081 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.841 7.764 4.693 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.290 6.480 6.812 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.663 6.260 6.198 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.211 8.578 6.495 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.572 7.771 7.300 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.854 9.306 8.128 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.604 10.542 7.561 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.189 10.861 8.274 1.00 0.00 H new ATOM 480 N ARG A 32 -6.141 3.328 6.025 1.00 0.00 N ATOM 481 CA ARG A 32 -6.547 2.771 7.313 1.00 0.00 C ATOM 482 C ARG A 32 -5.983 1.373 7.551 1.00 0.00 C ATOM 483 O ARG A 32 -6.104 0.841 8.651 1.00 0.00 O ATOM 484 CB ARG A 32 -8.074 2.773 7.386 1.00 0.00 C ATOM 485 CG ARG A 32 -8.675 1.827 6.340 1.00 0.00 C ATOM 486 CD ARG A 32 -9.909 2.474 5.720 1.00 0.00 C ATOM 487 NE ARG A 32 -10.565 1.567 4.772 1.00 0.00 N ATOM 488 CZ ARG A 32 -11.339 1.970 3.762 1.00 0.00 C ATOM 489 NH1 ARG A 32 -11.572 3.263 3.559 1.00 0.00 N ATOM 490 NH2 ARG A 32 -11.885 1.073 2.949 1.00 0.00 N ATOM 0 H ARG A 32 -6.844 3.245 5.291 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.136 3.395 8.106 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.394 2.470 8.383 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.448 3.784 7.225 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.939 1.607 5.567 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.943 0.878 6.804 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -10.611 2.752 6.506 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -9.623 3.393 5.209 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.420 0.564 4.892 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.158 3.959 4.178 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.165 3.559 2.784 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -11.713 0.079 3.097 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -12.477 1.378 2.176 1.00 0.00 H new ATOM 504 N VAL A 33 -5.371 0.777 6.526 1.00 0.00 N ATOM 505 CA VAL A 33 -4.692 -0.513 6.634 1.00 0.00 C ATOM 506 C VAL A 33 -3.243 -0.341 7.075 1.00 0.00 C ATOM 507 O VAL A 33 -2.611 -1.305 7.504 1.00 0.00 O ATOM 508 CB VAL A 33 -4.764 -1.206 5.273 1.00 0.00 C ATOM 509 CG1 VAL A 33 -3.734 -2.321 5.118 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.157 -1.814 5.127 1.00 0.00 C ATOM 0 H VAL A 33 -5.333 1.181 5.590 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.185 -1.122 7.392 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.554 -0.459 4.507 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.835 -2.775 4.132 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.731 -1.908 5.227 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.899 -3.078 5.884 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.236 -2.316 4.163 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.325 -2.536 5.926 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.907 -1.025 5.188 1.00 0.00 H new ATOM 520 N PHE A 34 -2.705 0.875 6.975 1.00 0.00 N ATOM 521 CA PHE A 34 -1.317 1.126 7.305 1.00 0.00 C ATOM 522 C PHE A 34 -1.168 2.170 8.395 1.00 0.00 C ATOM 523 O PHE A 34 -0.298 2.036 9.255 1.00 0.00 O ATOM 524 CB PHE A 34 -0.606 1.594 6.037 1.00 0.00 C ATOM 525 CG PHE A 34 -0.078 0.461 5.200 1.00 0.00 C ATOM 526 CD1 PHE A 34 1.115 -0.164 5.585 1.00 0.00 C ATOM 527 CD2 PHE A 34 -0.762 0.036 4.056 1.00 0.00 C ATOM 528 CE1 PHE A 34 1.625 -1.225 4.828 1.00 0.00 C ATOM 529 CE2 PHE A 34 -0.253 -1.024 3.296 1.00 0.00 C ATOM 530 CZ PHE A 34 0.934 -1.659 3.687 1.00 0.00 C ATOM 0 H PHE A 34 -3.219 1.700 6.666 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.875 0.205 7.685 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.297 2.187 5.439 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.220 2.249 6.313 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.641 0.173 6.466 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.679 0.524 3.760 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.546 -1.707 5.121 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.775 -1.352 2.409 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.318 -2.486 3.108 1.00 0.00 H new ATOM 540 N GLU A 35 -2.001 3.212 8.384 1.00 0.00 N ATOM 541 CA GLU A 35 -1.897 4.222 9.421 1.00 0.00 C ATOM 542 C GLU A 35 -2.289 3.638 10.771 1.00 0.00 C ATOM 543 O GLU A 35 -1.979 4.209 11.812 1.00 0.00 O ATOM 544 CB GLU A 35 -2.744 5.452 9.079 1.00 0.00 C ATOM 545 CG GLU A 35 -4.222 5.340 9.463 1.00 0.00 C ATOM 546 CD GLU A 35 -4.484 5.675 10.928 1.00 0.00 C ATOM 547 OE1 GLU A 35 -3.976 6.725 11.388 1.00 0.00 O ATOM 548 OE2 GLU A 35 -5.196 4.881 11.585 1.00 0.00 O ATOM 0 H GLU A 35 -2.731 3.371 7.689 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.859 4.548 9.481 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.317 6.321 9.581 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.674 5.637 8.007 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.807 6.009 8.833 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.569 4.327 9.260 1.00 0.00 H new ATOM 555 N LYS A 36 -2.976 2.491 10.741 1.00 0.00 N ATOM 556 CA LYS A 36 -3.474 1.833 11.929 1.00 0.00 C ATOM 557 C LYS A 36 -2.341 1.465 12.871 1.00 0.00 C ATOM 558 O LYS A 36 -2.514 1.483 14.091 1.00 0.00 O ATOM 559 CB LYS A 36 -4.258 0.583 11.525 1.00 0.00 C ATOM 560 CG LYS A 36 -3.361 -0.467 10.862 1.00 0.00 C ATOM 561 CD LYS A 36 -4.166 -1.594 10.212 1.00 0.00 C ATOM 562 CE LYS A 36 -5.242 -2.143 11.143 1.00 0.00 C ATOM 563 NZ LYS A 36 -5.827 -3.386 10.606 1.00 0.00 N ATOM 0 H LYS A 36 -3.198 1.997 9.877 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.132 2.522 12.459 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.731 0.151 12.407 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.057 0.862 10.839 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.740 0.014 10.107 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.687 -0.889 11.608 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.632 -1.225 9.298 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.492 -2.400 9.923 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.813 -2.335 12.126 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.026 -1.397 11.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.556 -3.737 11.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.257 -3.195 9.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.081 -4.103 10.501 1.00 0.00 H new ATOM 577 N TYR A 37 -1.179 1.126 12.310 1.00 0.00 N ATOM 578 CA TYR A 37 -0.024 0.768 13.109 1.00 0.00 C ATOM 579 C TYR A 37 0.617 1.997 13.748 1.00 0.00 C ATOM 580 O TYR A 37 1.340 1.875 14.735 1.00 0.00 O ATOM 581 CB TYR A 37 0.991 0.054 12.229 1.00 0.00 C ATOM 582 CG TYR A 37 0.454 -1.242 11.670 1.00 0.00 C ATOM 583 CD1 TYR A 37 0.567 -2.419 12.423 1.00 0.00 C ATOM 584 CD2 TYR A 37 -0.157 -1.263 10.405 1.00 0.00 C ATOM 585 CE1 TYR A 37 0.057 -3.625 11.925 1.00 0.00 C ATOM 586 CE2 TYR A 37 -0.660 -2.468 9.898 1.00 0.00 C ATOM 587 CZ TYR A 37 -0.566 -3.651 10.657 1.00 0.00 C ATOM 588 OH TYR A 37 -1.078 -4.814 10.172 1.00 0.00 O ATOM 0 H TYR A 37 -1.021 1.094 11.303 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.352 0.109 13.913 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.281 0.709 11.407 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.892 -0.148 12.808 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.048 -2.396 13.389 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.238 -0.355 9.826 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.140 -4.531 12.508 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.121 -2.490 8.922 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.394 -5.278 9.646 1.00 0.00 H new ATOM 598 N GLY A 38 0.355 3.183 13.187 1.00 0.00 N ATOM 599 CA GLY A 38 0.837 4.427 13.761 1.00 0.00 C ATOM 600 C GLY A 38 0.311 5.636 12.998 1.00 0.00 C ATOM 601 O GLY A 38 -0.456 6.423 13.555 1.00 0.00 O ATOM 0 H GLY A 38 -0.191 3.299 12.333 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.528 4.491 14.804 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.927 4.435 13.751 1.00 0.00 H new ATOM 605 N ARG A 39 0.717 5.788 11.734 1.00 0.00 N ATOM 606 CA ARG A 39 0.238 6.865 10.876 1.00 0.00 C ATOM 607 C ARG A 39 0.685 6.641 9.439 1.00 0.00 C ATOM 608 O ARG A 39 1.521 5.782 9.171 1.00 0.00 O ATOM 609 CB ARG A 39 0.797 8.203 11.379 1.00 0.00 C ATOM 610 CG ARG A 39 -0.103 9.400 11.066 1.00 0.00 C ATOM 611 CD ARG A 39 -1.454 9.232 11.755 1.00 0.00 C ATOM 612 NE ARG A 39 -2.240 10.472 11.686 1.00 0.00 N ATOM 613 CZ ARG A 39 -3.575 10.527 11.738 1.00 0.00 C ATOM 614 NH1 ARG A 39 -4.312 9.425 11.838 1.00 0.00 N ATOM 615 NH2 ARG A 39 -4.184 11.708 11.689 1.00 0.00 N ATOM 0 H ARG A 39 1.387 5.166 11.281 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.851 6.881 10.907 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.945 8.143 12.457 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.777 8.369 10.931 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.373 10.321 11.402 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.243 9.488 9.989 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.008 8.420 11.284 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.302 8.951 12.797 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.732 11.351 11.592 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.860 8.511 11.877 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.329 9.493 11.876 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.633 12.563 11.612 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.202 11.759 11.728 1.00 0.00 H new ATOM 629 N VAL A 40 0.116 7.424 8.526 1.00 0.00 N ATOM 630 CA VAL A 40 0.488 7.410 7.122 1.00 0.00 C ATOM 631 C VAL A 40 0.747 8.842 6.680 1.00 0.00 C ATOM 632 O VAL A 40 -0.180 9.593 6.386 1.00 0.00 O ATOM 633 CB VAL A 40 -0.621 6.745 6.301 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.427 6.945 4.807 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.611 5.235 6.501 1.00 0.00 C ATOM 0 H VAL A 40 -0.623 8.091 8.747 1.00 0.00 H new ATOM 0 HA VAL A 40 1.397 6.830 6.965 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.548 7.205 6.642 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.237 6.456 4.266 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.430 8.011 4.579 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.526 6.512 4.503 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.407 4.784 5.908 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.351 4.832 6.183 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.769 5.007 7.555 1.00 0.00 H new ATOM 645 N GLY A 41 2.031 9.207 6.641 1.00 0.00 N ATOM 646 CA GLY A 41 2.485 10.513 6.186 1.00 0.00 C ATOM 647 C GLY A 41 2.022 10.815 4.761 1.00 0.00 C ATOM 648 O GLY A 41 1.786 11.973 4.418 1.00 0.00 O ATOM 0 H GLY A 41 2.791 8.591 6.930 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.109 11.283 6.860 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.573 10.554 6.230 1.00 0.00 H new ATOM 652 N ASP A 42 1.887 9.779 3.929 1.00 0.00 N ATOM 653 CA ASP A 42 1.516 9.906 2.531 1.00 0.00 C ATOM 654 C ASP A 42 0.900 8.597 2.056 1.00 0.00 C ATOM 655 O ASP A 42 1.335 7.522 2.463 1.00 0.00 O ATOM 656 CB ASP A 42 2.788 10.189 1.716 1.00 0.00 C ATOM 657 CG ASP A 42 3.213 11.654 1.797 1.00 0.00 C ATOM 658 OD1 ASP A 42 2.468 12.498 1.252 1.00 0.00 O ATOM 659 OD2 ASP A 42 4.280 11.915 2.399 1.00 0.00 O ATOM 0 H ASP A 42 2.037 8.813 4.221 1.00 0.00 H new ATOM 0 HA ASP A 42 0.797 10.715 2.403 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.598 9.557 2.080 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.617 9.919 0.674 1.00 0.00 H new ATOM 664 N VAL A 43 -0.108 8.677 1.187 1.00 0.00 N ATOM 665 CA VAL A 43 -0.722 7.488 0.611 1.00 0.00 C ATOM 666 C VAL A 43 -1.251 7.865 -0.770 1.00 0.00 C ATOM 667 O VAL A 43 -2.152 8.692 -0.899 1.00 0.00 O ATOM 668 CB VAL A 43 -1.801 6.946 1.570 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.229 7.382 1.256 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.761 5.426 1.673 1.00 0.00 C ATOM 0 H VAL A 43 -0.515 9.556 0.868 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.008 6.675 0.483 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.537 7.399 2.526 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.911 6.948 1.987 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.295 8.469 1.298 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.502 7.041 0.258 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.538 5.087 2.359 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.931 4.990 0.689 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.786 5.112 2.046 1.00 0.00 H new ATOM 680 N TYR A 44 -0.693 7.259 -1.820 1.00 0.00 N ATOM 681 CA TYR A 44 -1.176 7.513 -3.170 1.00 0.00 C ATOM 682 C TYR A 44 -0.842 6.354 -4.100 1.00 0.00 C ATOM 683 O TYR A 44 -0.045 5.482 -3.758 1.00 0.00 O ATOM 684 CB TYR A 44 -0.587 8.821 -3.707 1.00 0.00 C ATOM 685 CG TYR A 44 0.766 8.689 -4.371 1.00 0.00 C ATOM 686 CD1 TYR A 44 0.828 8.432 -5.750 1.00 0.00 C ATOM 687 CD2 TYR A 44 1.947 8.828 -3.631 1.00 0.00 C ATOM 688 CE1 TYR A 44 2.066 8.326 -6.397 1.00 0.00 C ATOM 689 CE2 TYR A 44 3.193 8.744 -4.274 1.00 0.00 C ATOM 690 CZ TYR A 44 3.259 8.498 -5.661 1.00 0.00 C ATOM 691 OH TYR A 44 4.469 8.426 -6.283 1.00 0.00 O ATOM 0 H TYR A 44 0.082 6.599 -1.760 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.261 7.607 -3.130 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.287 9.249 -4.425 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.503 9.529 -2.883 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.085 8.315 -6.316 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.900 9.000 -2.566 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.108 8.113 -7.455 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.102 8.868 -3.705 1.00 0.00 H new ATOM 0 HH TYR A 44 4.940 7.618 -5.990 1.00 0.00 H new ATOM 701 N ILE A 45 -1.457 6.353 -5.286 1.00 0.00 N ATOM 702 CA ILE A 45 -1.256 5.314 -6.281 1.00 0.00 C ATOM 703 C ILE A 45 -0.785 5.972 -7.581 1.00 0.00 C ATOM 704 O ILE A 45 -1.537 6.735 -8.184 1.00 0.00 O ATOM 705 CB ILE A 45 -2.556 4.514 -6.484 1.00 0.00 C ATOM 706 CG1 ILE A 45 -2.860 3.512 -5.363 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.444 3.671 -7.754 1.00 0.00 C ATOM 708 CD1 ILE A 45 -3.079 4.163 -4.002 1.00 0.00 C ATOM 0 H ILE A 45 -2.110 7.080 -5.577 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.495 4.609 -5.947 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.345 5.265 -6.519 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.749 2.941 -5.630 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.036 2.803 -5.288 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.364 3.105 -7.897 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.283 4.324 -8.611 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.605 2.982 -7.660 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.289 3.393 -3.260 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.183 4.711 -3.712 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.922 4.851 -4.059 1.00 0.00 H new ATOM 720 N PRO A 46 0.452 5.687 -8.020 1.00 0.00 N ATOM 721 CA PRO A 46 1.050 6.153 -9.273 1.00 0.00 C ATOM 722 C PRO A 46 0.424 5.498 -10.511 1.00 0.00 C ATOM 723 O PRO A 46 1.132 5.135 -11.450 1.00 0.00 O ATOM 724 CB PRO A 46 2.539 5.838 -9.154 1.00 0.00 C ATOM 725 CG PRO A 46 2.569 4.636 -8.222 1.00 0.00 C ATOM 726 CD PRO A 46 1.401 4.876 -7.279 1.00 0.00 C ATOM 0 HA PRO A 46 0.872 7.219 -9.415 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.980 5.606 -10.124 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.097 6.680 -8.743 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.454 3.702 -8.771 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.513 4.573 -7.681 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.950 3.934 -6.968 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.728 5.387 -6.374 1.00 0.00 H new ATOM 900 N GLY A 56 -0.181 -1.181 -11.158 1.00 0.00 N ATOM 901 CA GLY A 56 -0.179 -2.418 -10.386 1.00 0.00 C ATOM 902 C GLY A 56 0.479 -2.266 -9.014 1.00 0.00 C ATOM 903 O GLY A 56 0.704 -3.263 -8.338 1.00 0.00 O ATOM 0 HA2 GLY A 56 -1.206 -2.759 -10.254 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.344 -3.191 -10.950 1.00 0.00 H new ATOM 907 N PHE A 57 0.792 -1.038 -8.591 1.00 0.00 N ATOM 908 CA PHE A 57 1.446 -0.785 -7.317 1.00 0.00 C ATOM 909 C PHE A 57 1.019 0.568 -6.774 1.00 0.00 C ATOM 910 O PHE A 57 0.636 1.456 -7.533 1.00 0.00 O ATOM 911 CB PHE A 57 2.965 -0.843 -7.494 1.00 0.00 C ATOM 912 CG PHE A 57 3.583 0.370 -8.159 1.00 0.00 C ATOM 913 CD1 PHE A 57 3.437 0.585 -9.538 1.00 0.00 C ATOM 914 CD2 PHE A 57 4.310 1.284 -7.383 1.00 0.00 C ATOM 915 CE1 PHE A 57 3.998 1.725 -10.130 1.00 0.00 C ATOM 916 CE2 PHE A 57 4.869 2.424 -7.979 1.00 0.00 C ATOM 917 CZ PHE A 57 4.703 2.651 -9.352 1.00 0.00 C ATOM 0 H PHE A 57 0.596 -0.193 -9.128 1.00 0.00 H new ATOM 0 HA PHE A 57 1.150 -1.552 -6.601 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.424 -0.974 -6.514 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.213 -1.726 -8.083 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.893 -0.126 -10.142 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.440 1.110 -6.325 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.886 1.890 -11.191 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.428 3.127 -7.379 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.118 3.538 -9.808 1.00 0.00 H new ATOM 927 N ALA A 58 1.090 0.714 -5.451 1.00 0.00 N ATOM 928 CA ALA A 58 0.741 1.947 -4.768 1.00 0.00 C ATOM 929 C ALA A 58 2.021 2.634 -4.325 1.00 0.00 C ATOM 930 O ALA A 58 3.104 2.349 -4.833 1.00 0.00 O ATOM 931 CB ALA A 58 -0.159 1.630 -3.572 1.00 0.00 C ATOM 0 H ALA A 58 1.395 -0.030 -4.823 1.00 0.00 H new ATOM 0 HA ALA A 58 0.194 2.614 -5.434 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.421 2.555 -3.059 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.067 1.138 -3.920 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.370 0.971 -2.884 1.00 0.00 H new ATOM 937 N PHE A 59 1.891 3.545 -3.368 1.00 0.00 N ATOM 938 CA PHE A 59 3.004 4.269 -2.804 1.00 0.00 C ATOM 939 C PHE A 59 2.562 4.823 -1.475 1.00 0.00 C ATOM 940 O PHE A 59 2.455 6.040 -1.305 1.00 0.00 O ATOM 941 CB PHE A 59 3.441 5.351 -3.792 1.00 0.00 C ATOM 942 CG PHE A 59 4.925 5.657 -3.819 1.00 0.00 C ATOM 943 CD1 PHE A 59 5.659 5.833 -2.637 1.00 0.00 C ATOM 944 CD2 PHE A 59 5.562 5.763 -5.063 1.00 0.00 C ATOM 945 CE1 PHE A 59 7.026 6.131 -2.709 1.00 0.00 C ATOM 946 CE2 PHE A 59 6.929 6.054 -5.134 1.00 0.00 C ATOM 947 CZ PHE A 59 7.663 6.242 -3.953 1.00 0.00 C ATOM 0 H PHE A 59 0.991 3.799 -2.961 1.00 0.00 H new ATOM 0 HA PHE A 59 3.871 3.631 -2.632 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.133 5.049 -4.793 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.904 6.270 -3.557 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.173 5.739 -1.677 1.00 0.00 H new ATOM 0 HD2 PHE A 59 4.995 5.619 -5.971 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.592 6.276 -1.801 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.417 6.134 -6.094 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.717 6.472 -4.002 1.00 0.00 H new ATOM 957 N VAL A 60 2.298 3.925 -0.524 1.00 0.00 N ATOM 958 CA VAL A 60 2.108 4.490 0.803 1.00 0.00 C ATOM 959 C VAL A 60 3.489 4.871 1.292 1.00 0.00 C ATOM 960 O VAL A 60 4.431 4.109 1.086 1.00 0.00 O ATOM 961 CB VAL A 60 1.385 3.602 1.823 1.00 0.00 C ATOM 962 CG1 VAL A 60 0.303 2.703 1.229 1.00 0.00 C ATOM 963 CG2 VAL A 60 2.303 2.891 2.815 1.00 0.00 C ATOM 0 H VAL A 60 2.218 2.913 -0.627 1.00 0.00 H new ATOM 0 HA VAL A 60 1.430 5.339 0.713 1.00 0.00 H new ATOM 0 HB VAL A 60 0.836 4.319 2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.154 2.111 2.022 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.459 3.318 0.750 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.749 2.037 0.490 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.704 2.287 3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.996 2.247 2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.865 3.631 3.385 1.00 0.00 H new ATOM 973 N ARG A 61 3.610 6.033 1.928 1.00 0.00 N ATOM 974 CA ARG A 61 4.880 6.494 2.450 1.00 0.00 C ATOM 975 C ARG A 61 4.719 7.008 3.849 1.00 0.00 C ATOM 976 O ARG A 61 3.809 7.766 4.179 1.00 0.00 O ATOM 977 CB ARG A 61 5.546 7.492 1.500 1.00 0.00 C ATOM 978 CG ARG A 61 6.552 8.388 2.224 1.00 0.00 C ATOM 979 CD ARG A 61 7.340 9.206 1.203 1.00 0.00 C ATOM 980 NE ARG A 61 8.528 9.815 1.814 1.00 0.00 N ATOM 981 CZ ARG A 61 9.457 10.490 1.132 1.00 0.00 C ATOM 982 NH1 ARG A 61 9.324 10.704 -0.175 1.00 0.00 N ATOM 983 NH2 ARG A 61 10.527 10.962 1.761 1.00 0.00 N ATOM 0 H ARG A 61 2.833 6.673 2.092 1.00 0.00 H new ATOM 0 HA ARG A 61 5.566 5.649 2.510 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.052 6.950 0.701 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.782 8.111 1.030 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.031 9.053 2.913 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.232 7.780 2.820 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.642 8.565 0.375 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.702 9.985 0.787 1.00 0.00 H new ATOM 0 HE ARG A 61 8.652 9.716 2.822 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.504 10.351 -0.669 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.042 11.221 -0.683 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.638 10.809 2.763 1.00 0.00 H new ATOM 0 HH22 ARG A 61 11.238 11.478 1.242 1.00 0.00 H new ATOM 997 N PHE A 62 5.655 6.546 4.665 1.00 0.00 N ATOM 998 CA PHE A 62 5.644 6.867 6.080 1.00 0.00 C ATOM 999 C PHE A 62 6.694 7.922 6.354 1.00 0.00 C ATOM 1000 O PHE A 62 7.712 7.969 5.670 1.00 0.00 O ATOM 1001 CB PHE A 62 5.871 5.613 6.913 1.00 0.00 C ATOM 1002 CG PHE A 62 4.621 4.783 7.095 1.00 0.00 C ATOM 1003 CD1 PHE A 62 3.690 4.611 6.053 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.388 4.180 8.338 1.00 0.00 C ATOM 1005 CE1 PHE A 62 2.518 3.865 6.255 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.236 3.412 8.542 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.308 3.256 7.506 1.00 0.00 C ATOM 0 H PHE A 62 6.428 5.950 4.371 1.00 0.00 H new ATOM 0 HA PHE A 62 4.670 7.265 6.363 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.638 5.003 6.437 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.254 5.900 7.892 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.879 5.058 5.088 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.099 4.308 9.141 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.790 3.760 5.464 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.063 2.940 9.498 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.421 2.662 7.669 1.00 0.00 H new ATOM 1017 N HIS A 63 6.407 8.743 7.360 1.00 0.00 N ATOM 1018 CA HIS A 63 7.209 9.881 7.785 1.00 0.00 C ATOM 1019 C HIS A 63 8.083 9.505 8.986 1.00 0.00 C ATOM 1020 O HIS A 63 8.892 10.312 9.445 1.00 0.00 O ATOM 1021 CB HIS A 63 6.242 11.006 8.178 1.00 0.00 C ATOM 1022 CG HIS A 63 5.208 10.542 9.176 1.00 0.00 C ATOM 1023 ND1 HIS A 63 5.394 9.517 10.106 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.938 11.027 9.308 1.00 0.00 C ATOM 1025 CE1 HIS A 63 4.240 9.412 10.775 1.00 0.00 C ATOM 1026 NE2 HIS A 63 3.350 10.315 10.330 1.00 0.00 N ATOM 0 H HIS A 63 5.567 8.625 7.927 1.00 0.00 H new ATOM 0 HA HIS A 63 7.868 10.199 6.977 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.806 11.837 8.601 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.741 11.382 7.286 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.484 11.815 8.725 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.050 8.700 11.564 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.404 10.450 10.687 1.00 0.00 H new ATOM 1034 N ASP A 64 7.919 8.279 9.490 1.00 0.00 N ATOM 1035 CA ASP A 64 8.646 7.789 10.648 1.00 0.00 C ATOM 1036 C ASP A 64 8.905 6.297 10.459 1.00 0.00 C ATOM 1037 O ASP A 64 7.973 5.499 10.388 1.00 0.00 O ATOM 1038 CB ASP A 64 7.828 8.059 11.914 1.00 0.00 C ATOM 1039 CG ASP A 64 8.635 7.776 13.186 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.479 6.853 13.157 1.00 0.00 O ATOM 1041 OD2 ASP A 64 8.398 8.495 14.183 1.00 0.00 O ATOM 0 H ASP A 64 7.270 7.598 9.097 1.00 0.00 H new ATOM 0 HA ASP A 64 9.602 8.302 10.752 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.497 9.097 11.918 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.932 7.438 11.907 1.00 0.00 H new ATOM 1046 N LYS A 65 10.184 5.928 10.379 1.00 0.00 N ATOM 1047 CA LYS A 65 10.611 4.556 10.157 1.00 0.00 C ATOM 1048 C LYS A 65 10.080 3.596 11.224 1.00 0.00 C ATOM 1049 O LYS A 65 9.955 2.408 10.950 1.00 0.00 O ATOM 1050 CB LYS A 65 12.137 4.517 10.082 1.00 0.00 C ATOM 1051 CG LYS A 65 12.759 4.677 11.471 1.00 0.00 C ATOM 1052 CD LYS A 65 14.227 5.101 11.388 1.00 0.00 C ATOM 1053 CE LYS A 65 15.008 4.217 10.420 1.00 0.00 C ATOM 1054 NZ LYS A 65 16.429 4.607 10.377 1.00 0.00 N ATOM 0 H LYS A 65 10.958 6.586 10.468 1.00 0.00 H new ATOM 0 HA LYS A 65 10.189 4.213 9.212 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.459 3.573 9.642 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.493 5.312 9.427 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.197 5.419 12.038 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.682 3.735 12.015 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.289 6.140 11.065 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.679 5.047 12.378 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.923 3.174 10.725 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.576 4.294 9.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.938 3.991 9.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.508 5.595 10.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.844 4.510 11.326 1.00 0.00 H new ATOM 1068 N ARG A 66 9.765 4.083 12.429 1.00 0.00 N ATOM 1069 CA ARG A 66 9.296 3.216 13.512 1.00 0.00 C ATOM 1070 C ARG A 66 7.885 2.718 13.221 1.00 0.00 C ATOM 1071 O ARG A 66 7.606 1.526 13.352 1.00 0.00 O ATOM 1072 CB ARG A 66 9.311 3.986 14.836 1.00 0.00 C ATOM 1073 CG ARG A 66 10.728 4.426 15.222 1.00 0.00 C ATOM 1074 CD ARG A 66 11.649 3.230 15.479 1.00 0.00 C ATOM 1075 NE ARG A 66 11.190 2.450 16.630 1.00 0.00 N ATOM 1076 CZ ARG A 66 11.201 1.114 16.705 1.00 0.00 C ATOM 1077 NH1 ARG A 66 11.633 0.367 15.692 1.00 0.00 N ATOM 1078 NH2 ARG A 66 10.775 0.513 17.814 1.00 0.00 N ATOM 0 H ARG A 66 9.826 5.070 12.677 1.00 0.00 H new ATOM 0 HA ARG A 66 9.962 2.357 13.586 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.668 4.862 14.754 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.897 3.359 15.626 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.146 5.041 14.425 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.684 5.048 16.116 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.680 2.594 14.594 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.666 3.581 15.656 1.00 0.00 H new ATOM 0 HE ARG A 66 10.835 2.964 17.436 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.965 0.811 14.836 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.632 -0.650 15.772 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.443 1.071 18.601 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.781 -0.505 17.877 1.00 0.00 H new ATOM 1092 N ASP A 67 6.995 3.631 12.821 1.00 0.00 N ATOM 1093 CA ASP A 67 5.630 3.267 12.474 1.00 0.00 C ATOM 1094 C ASP A 67 5.642 2.413 11.211 1.00 0.00 C ATOM 1095 O ASP A 67 4.755 1.587 11.005 1.00 0.00 O ATOM 1096 CB ASP A 67 4.787 4.526 12.247 1.00 0.00 C ATOM 1097 CG ASP A 67 4.665 5.369 13.516 1.00 0.00 C ATOM 1098 OD1 ASP A 67 4.486 4.765 14.597 1.00 0.00 O ATOM 1099 OD2 ASP A 67 4.752 6.611 13.391 1.00 0.00 O ATOM 0 H ASP A 67 7.201 4.626 12.731 1.00 0.00 H new ATOM 0 HA ASP A 67 5.190 2.699 13.294 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.236 5.125 11.455 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.793 4.240 11.905 1.00 0.00 H new ATOM 1104 N ALA A 68 6.654 2.619 10.367 1.00 0.00 N ATOM 1105 CA ALA A 68 6.801 1.882 9.127 1.00 0.00 C ATOM 1106 C ALA A 68 7.349 0.477 9.384 1.00 0.00 C ATOM 1107 O ALA A 68 6.993 -0.451 8.668 1.00 0.00 O ATOM 1108 CB ALA A 68 7.764 2.655 8.232 1.00 0.00 C ATOM 0 H ALA A 68 7.392 3.304 10.531 1.00 0.00 H new ATOM 0 HA ALA A 68 5.827 1.776 8.649 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.893 2.122 7.290 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.360 3.648 8.034 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.729 2.749 8.731 1.00 0.00 H new ATOM 1114 N GLU A 69 8.209 0.316 10.396 1.00 0.00 N ATOM 1115 CA GLU A 69 8.772 -0.981 10.736 1.00 0.00 C ATOM 1116 C GLU A 69 7.680 -1.962 11.141 1.00 0.00 C ATOM 1117 O GLU A 69 7.640 -3.082 10.627 1.00 0.00 O ATOM 1118 CB GLU A 69 9.742 -0.833 11.911 1.00 0.00 C ATOM 1119 CG GLU A 69 11.154 -0.539 11.412 1.00 0.00 C ATOM 1120 CD GLU A 69 12.128 -0.403 12.578 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.673 -1.447 13.004 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.327 0.743 13.041 1.00 0.00 O ATOM 0 H GLU A 69 8.528 1.079 10.994 1.00 0.00 H new ATOM 0 HA GLU A 69 9.290 -1.360 9.855 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.408 -0.028 12.566 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.744 -1.747 12.505 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.484 -1.339 10.750 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.152 0.380 10.826 1.00 0.00 H new ATOM 1129 N ASP A 70 6.794 -1.558 12.056 1.00 0.00 N ATOM 1130 CA ASP A 70 5.786 -2.486 12.543 1.00 0.00 C ATOM 1131 C ASP A 70 4.743 -2.772 11.467 1.00 0.00 C ATOM 1132 O ASP A 70 4.340 -3.924 11.277 1.00 0.00 O ATOM 1133 CB ASP A 70 5.119 -1.913 13.792 1.00 0.00 C ATOM 1134 CG ASP A 70 6.128 -1.564 14.884 1.00 0.00 C ATOM 1135 OD1 ASP A 70 7.039 -2.393 15.121 1.00 0.00 O ATOM 1136 OD2 ASP A 70 5.980 -0.474 15.477 1.00 0.00 O ATOM 0 H ASP A 70 6.757 -0.622 12.461 1.00 0.00 H new ATOM 0 HA ASP A 70 6.273 -3.428 12.797 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.556 -1.019 13.522 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.402 -2.636 14.181 1.00 0.00 H new ATOM 1141 N ALA A 71 4.300 -1.733 10.752 1.00 0.00 N ATOM 1142 CA ALA A 71 3.313 -1.896 9.700 1.00 0.00 C ATOM 1143 C ALA A 71 3.853 -2.834 8.627 1.00 0.00 C ATOM 1144 O ALA A 71 3.139 -3.725 8.182 1.00 0.00 O ATOM 1145 CB ALA A 71 2.967 -0.531 9.106 1.00 0.00 C ATOM 0 H ALA A 71 4.615 -0.772 10.889 1.00 0.00 H new ATOM 0 HA ALA A 71 2.405 -2.334 10.114 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.226 -0.655 8.316 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.562 0.113 9.886 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.867 -0.076 8.691 1.00 0.00 H new ATOM 1151 N MET A 72 5.107 -2.644 8.210 1.00 0.00 N ATOM 1152 CA MET A 72 5.737 -3.478 7.197 1.00 0.00 C ATOM 1153 C MET A 72 5.896 -4.911 7.697 1.00 0.00 C ATOM 1154 O MET A 72 5.649 -5.853 6.944 1.00 0.00 O ATOM 1155 CB MET A 72 7.097 -2.860 6.883 1.00 0.00 C ATOM 1156 CG MET A 72 7.975 -3.778 6.042 1.00 0.00 C ATOM 1157 SD MET A 72 9.363 -2.926 5.249 1.00 0.00 S ATOM 1158 CE MET A 72 9.909 -1.875 6.619 1.00 0.00 C ATOM 0 H MET A 72 5.711 -1.905 8.569 1.00 0.00 H new ATOM 0 HA MET A 72 5.120 -3.521 6.299 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.951 -1.918 6.355 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.610 -2.626 7.816 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.363 -4.576 6.675 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.362 -4.250 5.274 1.00 0.00 H new ATOM 0 HE1 MET A 72 10.948 -1.584 6.463 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.285 -0.982 6.664 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.823 -2.425 7.556 1.00 0.00 H new ATOM 1168 N ASP A 73 6.306 -5.078 8.958 1.00 0.00 N ATOM 1169 CA ASP A 73 6.445 -6.392 9.563 1.00 0.00 C ATOM 1170 C ASP A 73 5.078 -7.050 9.767 1.00 0.00 C ATOM 1171 O ASP A 73 5.000 -8.213 10.161 1.00 0.00 O ATOM 1172 CB ASP A 73 7.188 -6.257 10.894 1.00 0.00 C ATOM 1173 CG ASP A 73 7.459 -7.621 11.525 1.00 0.00 C ATOM 1174 OD1 ASP A 73 8.248 -8.391 10.928 1.00 0.00 O ATOM 1175 OD2 ASP A 73 6.876 -7.886 12.600 1.00 0.00 O ATOM 0 H ASP A 73 6.548 -4.306 9.579 1.00 0.00 H new ATOM 0 HA ASP A 73 7.019 -7.033 8.894 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.132 -5.735 10.734 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.599 -5.648 11.580 1.00 0.00 H new ATOM 1180 N ALA A 74 3.996 -6.308 9.498 1.00 0.00 N ATOM 1181 CA ALA A 74 2.638 -6.803 9.646 1.00 0.00 C ATOM 1182 C ALA A 74 1.805 -6.625 8.373 1.00 0.00 C ATOM 1183 O ALA A 74 0.600 -6.886 8.397 1.00 0.00 O ATOM 1184 CB ALA A 74 2.007 -6.082 10.834 1.00 0.00 C ATOM 0 H ALA A 74 4.048 -5.343 9.170 1.00 0.00 H new ATOM 0 HA ALA A 74 2.664 -7.878 9.825 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.984 -6.433 10.971 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.585 -6.289 11.734 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.000 -5.008 10.646 1.00 0.00 H new ATOM 1190 N MET A 75 2.417 -6.186 7.265 1.00 0.00 N ATOM 1191 CA MET A 75 1.695 -5.960 6.013 1.00 0.00 C ATOM 1192 C MET A 75 2.434 -6.486 4.781 1.00 0.00 C ATOM 1193 O MET A 75 1.808 -6.660 3.734 1.00 0.00 O ATOM 1194 CB MET A 75 1.434 -4.466 5.822 1.00 0.00 C ATOM 1195 CG MET A 75 0.295 -3.973 6.717 1.00 0.00 C ATOM 1196 SD MET A 75 -1.306 -4.755 6.377 1.00 0.00 S ATOM 1197 CE MET A 75 -1.329 -4.587 4.576 1.00 0.00 C ATOM 0 H MET A 75 3.415 -5.981 7.214 1.00 0.00 H new ATOM 0 HA MET A 75 0.761 -6.515 6.099 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.342 -3.906 6.046 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.188 -4.270 4.778 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.561 -4.154 7.758 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.193 -2.894 6.596 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.343 -4.748 4.209 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.997 -3.586 4.300 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.661 -5.326 4.133 1.00 0.00 H new ATOM 1207 N ASP A 76 3.743 -6.742 4.863 1.00 0.00 N ATOM 1208 CA ASP A 76 4.462 -7.286 3.722 1.00 0.00 C ATOM 1209 C ASP A 76 3.989 -8.712 3.440 1.00 0.00 C ATOM 1210 O ASP A 76 4.186 -9.609 4.255 1.00 0.00 O ATOM 1211 CB ASP A 76 5.967 -7.237 3.985 1.00 0.00 C ATOM 1212 CG ASP A 76 6.753 -7.652 2.746 1.00 0.00 C ATOM 1213 OD1 ASP A 76 6.348 -7.233 1.636 1.00 0.00 O ATOM 1214 OD2 ASP A 76 7.753 -8.381 2.917 1.00 0.00 O ATOM 0 H ASP A 76 4.312 -6.583 5.694 1.00 0.00 H new ATOM 0 HA ASP A 76 4.255 -6.683 2.838 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.255 -6.228 4.282 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.216 -7.897 4.816 1.00 0.00 H new ATOM 1219 N GLY A 77 3.363 -8.915 2.278 1.00 0.00 N ATOM 1220 CA GLY A 77 2.847 -10.213 1.872 1.00 0.00 C ATOM 1221 C GLY A 77 1.631 -10.610 2.699 1.00 0.00 C ATOM 1222 O GLY A 77 1.370 -11.796 2.889 1.00 0.00 O ATOM 0 H GLY A 77 3.202 -8.176 1.593 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.578 -10.185 0.816 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.626 -10.967 1.983 1.00 0.00 H new ATOM 1226 N ALA A 78 0.887 -9.615 3.190 1.00 0.00 N ATOM 1227 CA ALA A 78 -0.255 -9.844 4.062 1.00 0.00 C ATOM 1228 C ALA A 78 -1.544 -10.065 3.271 1.00 0.00 C ATOM 1229 O ALA A 78 -2.606 -10.223 3.873 1.00 0.00 O ATOM 1230 CB ALA A 78 -0.401 -8.650 5.003 1.00 0.00 C ATOM 0 H ALA A 78 1.064 -8.630 2.991 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.079 -10.754 4.635 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.254 -8.809 5.663 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.505 -8.544 5.600 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.558 -7.743 4.419 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.450 -10.071 1.935 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.563 -10.300 1.013 1.00 0.00 C ATOM 1238 C VAL A 79 -3.890 -9.754 1.551 1.00 0.00 C ATOM 1239 O VAL A 79 -4.814 -10.504 1.866 1.00 0.00 O ATOM 1240 CB VAL A 79 -2.594 -11.781 0.594 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -2.570 -12.739 1.778 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.739 -12.079 -0.348 1.00 0.00 C ATOM 0 H VAL A 79 -0.566 -9.911 1.453 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.402 -9.723 0.102 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.668 -11.956 0.046 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.594 -13.767 1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.660 -12.579 2.357 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.439 -12.557 2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.723 -13.135 -0.618 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.684 -11.844 0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.637 -11.473 -1.248 1.00 0.00 H new ATOM 1252 N LEU A 80 -3.991 -8.423 1.652 1.00 0.00 N ATOM 1253 CA LEU A 80 -5.223 -7.768 2.068 1.00 0.00 C ATOM 1254 C LEU A 80 -6.282 -7.817 0.959 1.00 0.00 C ATOM 1255 O LEU A 80 -7.384 -7.301 1.140 1.00 0.00 O ATOM 1256 CB LEU A 80 -4.928 -6.326 2.510 1.00 0.00 C ATOM 1257 CG LEU A 80 -4.978 -5.278 1.387 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -4.499 -3.933 1.919 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -4.116 -5.653 0.183 1.00 0.00 C ATOM 0 H LEU A 80 -3.225 -7.781 1.448 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.634 -8.308 2.921 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.645 -6.045 3.281 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.940 -6.298 2.969 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.015 -5.227 1.055 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.536 -3.192 1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.144 -3.615 2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.475 -4.028 2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -4.193 -4.874 -0.576 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.077 -5.753 0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.462 -6.600 -0.232 1.00 0.00 H new ATOM 1271 N ASP A 81 -5.951 -8.433 -0.184 1.00 0.00 N ATOM 1272 CA ASP A 81 -6.806 -8.419 -1.357 1.00 0.00 C ATOM 1273 C ASP A 81 -6.868 -9.787 -2.048 1.00 0.00 C ATOM 1274 O ASP A 81 -7.959 -10.242 -2.399 1.00 0.00 O ATOM 1275 CB ASP A 81 -6.321 -7.330 -2.325 1.00 0.00 C ATOM 1276 CG ASP A 81 -4.864 -7.476 -2.772 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -4.133 -8.332 -2.216 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -4.487 -6.711 -3.687 1.00 0.00 O ATOM 0 H ASP A 81 -5.082 -8.952 -0.312 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.823 -8.193 -1.036 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.960 -7.336 -3.208 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.445 -6.358 -1.849 1.00 0.00 H new ATOM 1283 N GLY A 82 -5.723 -10.446 -2.247 1.00 0.00 N ATOM 1284 CA GLY A 82 -5.663 -11.815 -2.751 1.00 0.00 C ATOM 1285 C GLY A 82 -4.551 -12.034 -3.771 1.00 0.00 C ATOM 1286 O GLY A 82 -4.610 -12.987 -4.546 1.00 0.00 O ATOM 0 H GLY A 82 -4.807 -10.039 -2.061 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.518 -12.497 -1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.620 -12.069 -3.207 1.00 0.00 H new ATOM 1290 N ARG A 83 -3.539 -11.162 -3.777 1.00 0.00 N ATOM 1291 CA ARG A 83 -2.399 -11.273 -4.678 1.00 0.00 C ATOM 1292 C ARG A 83 -1.064 -11.063 -3.956 1.00 0.00 C ATOM 1293 O ARG A 83 -0.018 -11.368 -4.523 1.00 0.00 O ATOM 1294 CB ARG A 83 -2.566 -10.263 -5.805 1.00 0.00 C ATOM 1295 CG ARG A 83 -2.978 -8.908 -5.226 1.00 0.00 C ATOM 1296 CD ARG A 83 -2.562 -7.816 -6.198 1.00 0.00 C ATOM 1297 NE ARG A 83 -3.121 -8.057 -7.536 1.00 0.00 N ATOM 1298 CZ ARG A 83 -2.420 -8.047 -8.674 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -1.116 -7.778 -8.686 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -3.033 -8.312 -9.823 1.00 0.00 N ATOM 0 H ARG A 83 -3.492 -10.357 -3.152 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.375 -12.285 -5.081 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.632 -10.164 -6.359 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.320 -10.612 -6.511 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.055 -8.879 -5.063 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.505 -8.752 -4.257 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.900 -6.848 -5.828 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.474 -7.773 -6.257 1.00 0.00 H new ATOM 0 HE ARG A 83 -4.121 -8.247 -7.601 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.629 -7.573 -7.813 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.604 -7.777 -9.568 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.031 -8.521 -9.832 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.505 -8.306 -10.696 1.00 0.00 H new ATOM 1314 N GLU A 84 -1.112 -10.548 -2.722 1.00 0.00 N ATOM 1315 CA GLU A 84 -0.021 -10.512 -1.745 1.00 0.00 C ATOM 1316 C GLU A 84 0.672 -9.152 -1.732 1.00 0.00 C ATOM 1317 O GLU A 84 1.643 -8.924 -2.456 1.00 0.00 O ATOM 1318 CB GLU A 84 0.954 -11.689 -1.904 1.00 0.00 C ATOM 1319 CG GLU A 84 1.123 -12.409 -0.567 1.00 0.00 C ATOM 1320 CD GLU A 84 2.306 -13.376 -0.621 1.00 0.00 C ATOM 1321 OE1 GLU A 84 3.452 -12.882 -0.574 1.00 0.00 O ATOM 1322 OE2 GLU A 84 2.050 -14.600 -0.706 1.00 0.00 O ATOM 0 H GLU A 84 -1.964 -10.121 -2.359 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.466 -10.642 -0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.580 -12.383 -2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.920 -11.327 -2.257 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.279 -11.679 0.228 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.211 -12.955 -0.324 1.00 0.00 H new ATOM 1329 N LEU A 85 0.153 -8.248 -0.897 1.00 0.00 N ATOM 1330 CA LEU A 85 0.647 -6.894 -0.686 1.00 0.00 C ATOM 1331 C LEU A 85 2.171 -6.882 -0.517 1.00 0.00 C ATOM 1332 O LEU A 85 2.765 -7.889 -0.140 1.00 0.00 O ATOM 1333 CB LEU A 85 -0.092 -6.361 0.550 1.00 0.00 C ATOM 1334 CG LEU A 85 -0.370 -4.852 0.613 1.00 0.00 C ATOM 1335 CD1 LEU A 85 0.859 -4.031 0.976 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -0.951 -4.313 -0.693 1.00 0.00 C ATOM 0 H LEU A 85 -0.664 -8.456 -0.323 1.00 0.00 H new ATOM 0 HA LEU A 85 0.453 -6.253 -1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.047 -6.882 0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.487 -6.634 1.432 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.106 -4.743 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.595 -2.974 1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.226 -4.339 1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.637 -4.191 0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.130 -3.242 -0.597 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.247 -4.492 -1.506 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.891 -4.820 -0.909 1.00 0.00 H new ATOM 1348 N ARG A 86 2.813 -5.746 -0.790 1.00 0.00 N ATOM 1349 CA ARG A 86 4.257 -5.597 -0.696 1.00 0.00 C ATOM 1350 C ARG A 86 4.602 -4.338 0.079 1.00 0.00 C ATOM 1351 O ARG A 86 4.017 -3.283 -0.171 1.00 0.00 O ATOM 1352 CB ARG A 86 4.849 -5.518 -2.101 1.00 0.00 C ATOM 1353 CG ARG A 86 4.705 -6.832 -2.861 1.00 0.00 C ATOM 1354 CD ARG A 86 5.479 -7.935 -2.147 1.00 0.00 C ATOM 1355 NE ARG A 86 5.421 -9.198 -2.893 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.912 -10.335 -2.414 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.366 -10.380 -1.205 1.00 0.00 N ATOM 1358 NH2 ARG A 86 4.941 -11.445 -3.142 1.00 0.00 N ATOM 0 H ARG A 86 2.335 -4.895 -1.086 1.00 0.00 H new ATOM 0 HA ARG A 86 4.674 -6.457 -0.172 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.354 -4.722 -2.658 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.904 -5.252 -2.035 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.652 -7.105 -2.936 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.077 -6.716 -3.879 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.518 -7.631 -2.023 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.069 -8.081 -1.148 1.00 0.00 H new ATOM 0 HE ARG A 86 5.795 -9.207 -3.842 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.332 -9.539 -0.629 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.981 -11.256 -0.852 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.354 -11.433 -4.074 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.550 -12.310 -2.769 1.00 0.00 H new ATOM 1372 N VAL A 87 5.549 -4.446 1.010 1.00 0.00 N ATOM 1373 CA VAL A 87 5.961 -3.314 1.818 1.00 0.00 C ATOM 1374 C VAL A 87 7.475 -3.281 1.946 1.00 0.00 C ATOM 1375 O VAL A 87 8.115 -4.318 2.120 1.00 0.00 O ATOM 1376 CB VAL A 87 5.303 -3.401 3.197 1.00 0.00 C ATOM 1377 CG1 VAL A 87 5.552 -2.094 3.944 1.00 0.00 C ATOM 1378 CG2 VAL A 87 3.810 -3.695 3.107 1.00 0.00 C ATOM 0 H VAL A 87 6.044 -5.313 1.219 1.00 0.00 H new ATOM 0 HA VAL A 87 5.642 -2.391 1.333 1.00 0.00 H new ATOM 0 HB VAL A 87 5.749 -4.234 3.741 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.088 -2.144 4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.625 -1.938 4.056 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.122 -1.266 3.381 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.388 -3.747 4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.316 -2.901 2.547 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.657 -4.647 2.599 1.00 0.00 H new ATOM 1388 N GLN A 88 8.041 -2.076 1.855 1.00 0.00 N ATOM 1389 CA GLN A 88 9.478 -1.853 1.846 1.00 0.00 C ATOM 1390 C GLN A 88 9.788 -0.367 1.997 1.00 0.00 C ATOM 1391 O GLN A 88 9.023 0.484 1.563 1.00 0.00 O ATOM 1392 CB GLN A 88 10.043 -2.372 0.519 1.00 0.00 C ATOM 1393 CG GLN A 88 9.236 -1.851 -0.675 1.00 0.00 C ATOM 1394 CD GLN A 88 9.800 -2.322 -2.011 1.00 0.00 C ATOM 1395 OE1 GLN A 88 10.935 -2.786 -2.101 1.00 0.00 O ATOM 1396 NE2 GLN A 88 9.001 -2.207 -3.073 1.00 0.00 N ATOM 0 H GLN A 88 7.498 -1.215 1.784 1.00 0.00 H new ATOM 0 HA GLN A 88 9.935 -2.383 2.682 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.084 -2.063 0.419 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.033 -3.462 0.519 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.202 -2.183 -0.583 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.224 -0.761 -0.653 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.064 -1.818 -2.967 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.327 -2.508 -3.991 1.00 0.00 H new ATOM 1405 N MET A 89 10.925 -0.041 2.613 1.00 0.00 N ATOM 1406 CA MET A 89 11.389 1.333 2.740 1.00 0.00 C ATOM 1407 C MET A 89 11.486 1.996 1.371 1.00 0.00 C ATOM 1408 O MET A 89 11.934 1.378 0.402 1.00 0.00 O ATOM 1409 CB MET A 89 12.742 1.327 3.443 1.00 0.00 C ATOM 1410 CG MET A 89 12.505 0.949 4.907 1.00 0.00 C ATOM 1411 SD MET A 89 11.872 2.321 5.907 1.00 0.00 S ATOM 1412 CE MET A 89 11.171 1.371 7.275 1.00 0.00 C ATOM 0 H MET A 89 11.549 -0.727 3.038 1.00 0.00 H new ATOM 0 HA MET A 89 10.677 1.910 3.330 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.416 0.614 2.968 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.214 2.307 3.373 1.00 0.00 H new ATOM 0 HG2 MET A 89 11.799 0.120 4.951 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.440 0.594 5.340 1.00 0.00 H new ATOM 0 HE1 MET A 89 11.330 1.908 8.210 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.102 1.234 7.113 1.00 0.00 H new ATOM 0 HE3 MET A 89 11.658 0.397 7.329 1.00 0.00 H new ATOM 1422 N ALA A 90 11.062 3.260 1.296 1.00 0.00 N ATOM 1423 CA ALA A 90 11.088 4.020 0.059 1.00 0.00 C ATOM 1424 C ALA A 90 12.506 4.493 -0.271 1.00 0.00 C ATOM 1425 O ALA A 90 12.764 4.875 -1.409 1.00 0.00 O ATOM 1426 CB ALA A 90 10.147 5.222 0.193 1.00 0.00 C ATOM 0 H ALA A 90 10.693 3.778 2.093 1.00 0.00 H new ATOM 0 HA ALA A 90 10.756 3.378 -0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.160 5.799 -0.732 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.134 4.871 0.387 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.477 5.852 1.019 1.00 0.00 H new